data_17783 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17783 _Entry.PDB_ID 2LFV 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 17783 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ARG N N 324 121.883 121.883 121.658 0.225 17783 2 1 1 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.753 -0.409 17783 3 1 1 . 1 1 2 2 ARG C C 324 176.887 176.887 176.862 0.025 17783 4 1 1 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.428 0.077 17783 5 1 1 . 1 1 2 2 ARG CB C 324 30.734 30.734 28.947 1.787 17783 6 1 1 . 1 1 2 2 ARG H H 324 8.373 8.373 8.537 -0.164 17783 7 1 1 . 1 1 3 3 GLY N N 325 111.231 111.231 108.467 2.764 17783 8 1 1 . 1 1 3 3 GLY C C 325 174.037 174.037 173.632 0.405 17783 9 1 1 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.806 0.422 17783 10 1 1 . 1 1 3 3 GLY H H 325 8.683 8.683 8.542 0.141 17783 11 1 1 . 1 1 4 4 SER N N 326 115.541 115.541 115.882 -0.341 17783 12 1 1 . 1 1 4 4 SER HA H 326 4.377 4.377 4.620 -0.243 17783 13 1 1 . 1 1 4 4 SER C C 326 174.454 174.454 172.742 1.712 17783 14 1 1 . 1 1 4 4 SER CA C 326 58.315 58.315 58.955 -0.639 17783 15 1 1 . 1 1 4 4 SER CB C 326 63.902 63.902 62.984 0.918 17783 16 1 1 . 1 1 4 4 SER H H 326 8.237 8.237 8.625 -0.388 17783 17 1 1 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.410 0.170 17783 18 1 1 . 1 1 10 10 HIS C C 332 175.292 175.292 176.236 -0.944 17783 19 1 1 . 1 1 10 10 HIS CA C 332 55.946 55.946 54.662 1.284 17783 20 1 1 . 1 1 10 10 HIS CB C 332 30.123 30.123 28.728 1.395 17783 21 1 1 . 1 1 11 11 GLY N N 333 110.527 110.527 109.655 0.872 17783 22 1 1 . 1 1 11 11 GLY C C 333 174.126 174.126 174.755 -0.629 17783 23 1 1 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.608 -0.281 17783 24 1 1 . 1 1 11 11 GLY H H 333 8.540 8.540 7.777 0.763 17783 25 1 1 . 1 1 12 12 SER N N 334 115.752 115.752 114.525 1.227 17783 26 1 1 . 1 1 12 12 SER HA H 334 4.436 4.436 4.385 0.051 17783 27 1 1 . 1 1 12 12 SER C C 334 174.538 174.538 173.856 0.682 17783 28 1 1 . 1 1 12 12 SER CA C 334 58.486 58.486 58.362 0.124 17783 29 1 1 . 1 1 12 12 SER CB C 334 63.927 63.927 64.480 -0.553 17783 30 1 1 . 1 1 12 12 SER H H 334 8.356 8.356 7.737 0.619 17783 31 1 1 . 1 1 13 13 ASN N N 335 120.410 120.410 117.239 3.171 17783 32 1 1 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.670 0.059 17783 33 1 1 . 1 1 13 13 ASN C C 335 175.116 175.116 173.545 1.571 17783 34 1 1 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.945 -0.559 17783 35 1 1 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.973 -0.305 17783 36 1 1 . 1 1 13 13 ASN H H 335 8.575 8.575 8.491 0.084 17783 37 1 1 . 1 1 14 14 ASN N N 336 119.094 119.094 120.544 -1.450 17783 38 1 1 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.635 0.094 17783 39 1 1 . 1 1 14 14 ASN C C 336 175.395 175.395 174.458 0.937 17783 40 1 1 . 1 1 14 14 ASN CA C 336 53.385 53.385 54.297 -0.912 17783 41 1 1 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.033 0.636 17783 42 1 1 . 1 1 14 14 ASN H H 336 8.447 8.447 8.457 -0.010 17783 43 1 1 . 1 1 15 15 ASN N N 337 118.915 118.915 121.586 -2.671 17783 44 1 1 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.761 -0.227 17783 45 1 1 . 1 1 15 15 ASN C C 337 176.390 176.390 175.629 0.761 17783 46 1 1 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.474 0.517 17783 47 1 1 . 1 1 15 15 ASN CB C 337 38.621 38.621 40.737 -2.116 17783 48 1 1 . 1 1 15 15 ASN H H 337 8.446 8.446 8.359 0.087 17783 49 1 1 . 1 1 16 16 GLY N N 338 108.851 108.851 109.544 -0.693 17783 50 1 1 . 1 1 16 16 GLY C C 338 175.459 175.459 175.189 0.270 17783 51 1 1 . 1 1 16 16 GLY CA C 338 46.752 46.752 46.530 0.222 17783 52 1 1 . 1 1 16 16 GLY H H 338 8.454 8.454 8.763 -0.309 17783 53 1 1 . 1 1 17 17 SER N N 339 116.218 116.218 114.684 1.534 17783 54 1 1 . 1 1 17 17 SER HA H 339 4.229 4.229 4.301 -0.072 17783 55 1 1 . 1 1 17 17 SER C C 339 175.869 175.869 175.687 0.182 17783 56 1 1 . 1 1 17 17 SER CA C 339 59.759 59.759 59.569 0.190 17783 57 1 1 . 1 1 17 17 SER CB C 339 62.973 62.973 62.216 0.757 17783 58 1 1 . 1 1 17 17 SER H H 339 8.170 8.170 8.308 -0.138 17783 59 1 1 . 1 1 18 18 LEU N N 340 121.515 121.515 120.909 0.606 17783 60 1 1 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.267 -0.265 17783 61 1 1 . 1 1 18 18 LEU C C 340 178.399 178.399 178.242 0.157 17783 62 1 1 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.052 0.099 17783 63 1 1 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.820 0.256 17783 64 1 1 . 1 1 18 18 LEU H H 340 7.790 7.790 7.820 -0.030 17783 65 1 1 . 1 1 19 19 LYS N N 341 117.145 117.145 114.792 2.353 17783 66 1 1 . 1 1 19 19 LYS HA H 341 3.808 3.808 3.978 -0.170 17783 67 1 1 . 1 1 19 19 LYS C C 341 176.960 176.960 176.884 0.076 17783 68 1 1 . 1 1 19 19 LYS CA C 341 59.192 59.192 57.623 1.569 17783 69 1 1 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.082 1.711 17783 70 1 1 . 1 1 19 19 LYS H H 341 7.893 7.893 8.119 -0.226 17783 71 1 1 . 1 1 20 20 SER N N 342 110.377 110.377 114.657 -4.280 17783 72 1 1 . 1 1 20 20 SER HA H 342 4.369 4.369 4.389 -0.020 17783 73 1 1 . 1 1 20 20 SER C C 342 173.735 173.735 173.536 0.199 17783 74 1 1 . 1 1 20 20 SER CA C 342 58.141 58.141 58.368 -0.228 17783 75 1 1 . 1 1 20 20 SER CB C 342 63.900 63.900 63.246 0.654 17783 76 1 1 . 1 1 20 20 SER H H 342 7.546 7.546 7.881 -0.335 17783 77 1 1 . 1 1 21 21 ALA N N 343 125.662 125.662 122.645 3.017 17783 78 1 1 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.618 -0.256 17783 79 1 1 . 1 1 21 21 ALA C C 343 174.051 174.051 174.504 -0.453 17783 80 1 1 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.924 0.648 17783 81 1 1 . 1 1 21 21 ALA CB C 343 18.134 18.134 20.223 -2.089 17783 82 1 1 . 1 1 21 21 ALA H H 343 6.852 6.852 7.240 -0.388 17783 83 1 1 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.435 -0.197 17783 84 1 1 . 1 1 22 22 PRO C C 344 178.184 178.184 176.558 1.626 17783 85 1 1 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.631 0.451 17783 86 1 1 . 1 1 22 22 PRO CB C 344 31.604 31.604 31.359 0.245 17783 87 1 1 . 1 1 23 23 SER N N 345 118.662 118.662 120.460 -1.798 17783 88 1 1 . 1 1 23 23 SER HA H 345 3.825 3.825 4.168 -0.343 17783 89 1 1 . 1 1 23 23 SER C C 345 174.231 174.231 175.314 -1.083 17783 90 1 1 . 1 1 23 23 SER CA C 345 60.892 60.892 59.658 1.234 17783 91 1 1 . 1 1 23 23 SER CB C 345 63.223 63.223 63.065 0.158 17783 92 1 1 . 1 1 23 23 SER H H 345 8.566 8.566 8.357 0.209 17783 93 1 1 . 1 1 24 24 SER N N 346 111.938 111.938 116.634 -4.696 17783 94 1 1 . 1 1 24 24 SER HA H 346 4.383 4.383 4.399 -0.016 17783 95 1 1 . 1 1 24 24 SER C C 346 175.152 175.152 174.611 0.541 17783 96 1 1 . 1 1 24 24 SER CA C 346 58.247 58.247 60.604 -2.357 17783 97 1 1 . 1 1 24 24 SER CB C 346 63.958 63.958 63.267 0.691 17783 98 1 1 . 1 1 24 24 SER H H 346 7.675 7.675 8.357 -0.682 17783 99 1 1 . 1 1 25 25 HIS N N 347 122.882 122.882 119.412 3.470 17783 100 1 1 . 1 1 25 25 HIS HA H 347 4.850 4.850 5.419 -0.569 17783 101 1 1 . 1 1 25 25 HIS C C 347 173.574 173.574 175.202 -1.628 17783 102 1 1 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.368 0.707 17783 103 1 1 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.816 1.032 17783 104 1 1 . 1 1 25 25 HIS H H 347 7.628 7.628 7.213 0.415 17783 105 1 1 . 1 1 26 26 TYR N N 348 117.921 117.921 122.900 -4.979 17783 106 1 1 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.702 0.287 17783 107 1 1 . 1 1 26 26 TYR C C 348 174.086 174.086 174.649 -0.563 17783 108 1 1 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.590 0.597 17783 109 1 1 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.334 1.500 17783 110 1 1 . 1 1 26 26 TYR H H 348 9.606 9.606 8.872 0.734 17783 111 1 1 . 1 1 27 27 THR N N 349 115.914 115.914 115.216 0.698 17783 112 1 1 . 1 1 27 27 THR HA H 349 5.027 5.027 4.866 0.161 17783 113 1 1 . 1 1 27 27 THR C C 349 172.904 172.904 173.448 -0.544 17783 114 1 1 . 1 1 27 27 THR CA C 349 58.835 58.835 61.899 -3.064 17783 115 1 1 . 1 1 27 27 THR CB C 349 70.587 70.587 70.162 0.425 17783 116 1 1 . 1 1 27 27 THR H H 349 8.974 8.974 8.406 0.568 17783 117 1 1 . 1 1 28 28 LEU N N 350 123.392 123.392 125.700 -2.308 17783 118 1 1 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.234 0.755 17783 119 1 1 . 1 1 28 28 LEU C C 350 176.111 176.111 176.691 -0.580 17783 120 1 1 . 1 1 28 28 LEU CA C 350 53.098 53.098 54.976 -1.878 17783 121 1 1 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.704 2.166 17783 122 1 1 . 1 1 28 28 LEU H H 350 8.249 8.249 8.535 -0.286 17783 123 1 1 . 1 1 29 29 GLN N N 351 122.797 122.797 116.315 6.482 17783 124 1 1 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.606 -0.053 17783 125 1 1 . 1 1 29 29 GLN C C 351 175.435 175.435 176.015 -0.580 17783 126 1 1 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.870 1.073 17783 127 1 1 . 1 1 29 29 GLN CB C 351 27.231 27.231 31.486 -4.255 17783 128 1 1 . 1 1 29 29 GLN H H 351 8.915 8.915 7.903 1.012 17783 129 1 1 . 1 1 30 30 LEU N N 352 125.239 125.239 125.537 -0.298 17783 130 1 1 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.417 -0.050 17783 131 1 1 . 1 1 30 30 LEU C C 352 177.250 177.250 176.815 0.435 17783 132 1 1 . 1 1 30 30 LEU CA C 352 56.101 56.101 57.127 -1.026 17783 133 1 1 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.046 0.054 17783 134 1 1 . 1 1 30 30 LEU H H 352 8.920 8.920 8.404 0.516 17783 135 1 1 . 1 1 31 31 SER N N 353 106.816 106.816 108.446 -1.630 17783 136 1 1 . 1 1 31 31 SER HA H 353 4.493 4.493 4.527 -0.034 17783 137 1 1 . 1 1 31 31 SER C C 353 171.831 171.831 172.086 -0.255 17783 138 1 1 . 1 1 31 31 SER CA C 353 57.160 57.160 57.526 -0.366 17783 139 1 1 . 1 1 31 31 SER CB C 353 64.360 64.360 63.956 0.404 17783 140 1 1 . 1 1 31 31 SER H H 353 7.548 7.548 8.168 -0.620 17783 141 1 1 . 1 1 32 32 SER N N 354 113.518 113.518 114.500 -0.982 17783 142 1 1 . 1 1 32 32 SER HA H 354 5.026 5.026 4.323 0.703 17783 143 1 1 . 1 1 32 32 SER C C 354 172.512 172.512 171.952 0.560 17783 144 1 1 . 1 1 32 32 SER CA C 354 57.285 57.285 57.424 -0.139 17783 145 1 1 . 1 1 32 32 SER CB C 354 65.347 65.347 65.491 -0.144 17783 146 1 1 . 1 1 32 32 SER H H 354 8.127 8.127 8.175 -0.048 17783 147 1 1 . 1 1 33 33 SER N N 355 114.624 114.624 113.778 0.846 17783 148 1 1 . 1 1 33 33 SER HA H 355 4.106 4.106 4.346 -0.240 17783 149 1 1 . 1 1 33 33 SER C C 355 171.639 171.639 171.932 -0.293 17783 150 1 1 . 1 1 33 33 SER CA C 355 57.276 57.276 57.361 -0.085 17783 151 1 1 . 1 1 33 33 SER CB C 355 64.539 64.539 64.390 0.149 17783 152 1 1 . 1 1 33 33 SER H H 355 8.616 8.616 6.659 1.957 17783 153 1 1 . 1 1 34 34 SER N N 356 116.467 116.467 115.708 0.759 17783 154 1 1 . 1 1 34 34 SER HA H 356 4.241 4.241 4.926 -0.684 17783 155 1 1 . 1 1 34 34 SER C C 356 173.820 173.820 172.937 0.883 17783 156 1 1 . 1 1 34 34 SER CA C 356 59.074 59.074 57.990 1.084 17783 157 1 1 . 1 1 34 34 SER CB C 356 63.741 63.741 63.405 0.336 17783 158 1 1 . 1 1 34 34 SER H H 356 8.132 8.132 8.423 -0.291 17783 159 1 1 . 1 1 35 35 ASN N N 357 122.206 122.206 119.031 3.175 17783 160 1 1 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.035 -0.114 17783 161 1 1 . 1 1 35 35 ASN C C 357 172.965 172.965 173.972 -1.007 17783 162 1 1 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.378 -0.931 17783 163 1 1 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.684 0.241 17783 164 1 1 . 1 1 35 35 ASN H H 357 8.511 8.511 8.215 0.296 17783 165 1 1 . 1 1 36 36 TYR N N 358 127.519 127.519 126.485 1.034 17783 166 1 1 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.133 -1.161 17783 167 1 1 . 1 1 36 36 TYR C C 358 176.522 176.522 176.361 0.161 17783 168 1 1 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.648 0.321 17783 169 1 1 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.327 -0.616 17783 170 1 1 . 1 1 36 36 TYR H H 358 8.002 8.002 8.818 -0.816 17783 171 1 1 . 1 1 37 37 ASP N N 359 118.658 118.658 118.826 -0.168 17783 172 1 1 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.386 -0.242 17783 173 1 1 . 1 1 37 37 ASP C C 359 179.804 179.804 178.825 0.979 17783 174 1 1 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.153 -0.650 17783 175 1 1 . 1 1 37 37 ASP CB C 359 40.178 40.178 39.963 0.215 17783 176 1 1 . 1 1 37 37 ASP H H 359 8.033 8.033 8.939 -0.906 17783 177 1 1 . 1 1 38 38 ASN N N 360 119.802 119.802 117.568 2.234 17783 178 1 1 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.527 -0.224 17783 179 1 1 . 1 1 38 38 ASN C C 360 177.720 177.720 177.599 0.121 17783 180 1 1 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.468 -0.018 17783 181 1 1 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.479 -0.716 17783 182 1 1 . 1 1 38 38 ASN H H 360 8.380 8.380 8.207 0.173 17783 183 1 1 . 1 1 39 39 LEU N N 361 121.625 121.625 120.862 0.763 17783 184 1 1 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.173 -0.076 17783 185 1 1 . 1 1 39 39 LEU C C 361 177.738 177.738 178.017 -0.279 17783 186 1 1 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.887 -0.322 17783 187 1 1 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.810 0.918 17783 188 1 1 . 1 1 39 39 LEU H H 361 7.243 7.243 7.775 -0.532 17783 189 1 1 . 1 1 40 40 ASN N N 362 116.601 116.601 116.696 -0.095 17783 190 1 1 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.215 -0.070 17783 191 1 1 . 1 1 40 40 ASN C C 362 177.253 177.253 177.946 -0.693 17783 192 1 1 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.386 0.141 17783 193 1 1 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.952 1.374 17783 194 1 1 . 1 1 40 40 ASN H H 362 8.284 8.284 8.375 -0.091 17783 195 1 1 . 1 1 41 41 GLY N N 363 104.958 104.958 107.868 -2.910 17783 196 1 1 . 1 1 41 41 GLY C C 363 176.323 176.323 175.736 0.587 17783 197 1 1 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.931 -0.091 17783 198 1 1 . 1 1 41 41 GLY H H 363 8.334 8.334 7.653 0.681 17783 199 1 1 . 1 1 42 42 TRP N N 364 125.066 125.066 125.134 -0.068 17783 200 1 1 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.140 0.086 17783 201 1 1 . 1 1 42 42 TRP C C 364 176.509 176.509 177.994 -1.485 17783 202 1 1 . 1 1 42 42 TRP CA C 364 61.489 61.489 61.557 -0.068 17783 203 1 1 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.038 -1.162 17783 204 1 1 . 1 1 42 42 TRP H H 364 7.833 7.833 7.593 0.240 17783 205 1 1 . 1 1 43 43 ALA N N 365 120.030 120.030 120.458 -0.428 17783 206 1 1 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.222 -0.228 17783 207 1 1 . 1 1 43 43 ALA C C 365 179.186 179.186 179.553 -0.367 17783 208 1 1 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.080 -0.079 17783 209 1 1 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.883 -0.795 17783 210 1 1 . 1 1 43 43 ALA H H 365 7.701 7.701 8.138 -0.437 17783 211 1 1 . 1 1 44 44 LYS N N 366 115.064 115.064 114.933 0.131 17783 212 1 1 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.094 -0.061 17783 213 1 1 . 1 1 44 44 LYS C C 366 180.830 180.830 178.716 2.114 17783 214 1 1 . 1 1 44 44 LYS CA C 366 58.991 58.991 57.735 1.256 17783 215 1 1 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.257 0.093 17783 216 1 1 . 1 1 44 44 LYS H H 366 7.562 7.562 7.767 -0.205 17783 217 1 1 . 1 1 45 45 LYS N N 367 123.180 123.180 120.515 2.665 17783 218 1 1 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.062 -0.155 17783 219 1 1 . 1 1 45 45 LYS C C 367 178.319 178.319 178.320 -0.001 17783 220 1 1 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.702 0.342 17783 221 1 1 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.440 -0.374 17783 222 1 1 . 1 1 45 45 LYS H H 367 8.067 8.067 7.673 0.394 17783 223 1 1 . 1 1 46 46 GLU N N 368 114.882 114.882 116.009 -1.127 17783 224 1 1 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.061 -0.144 17783 225 1 1 . 1 1 46 46 GLU C C 368 174.639 174.639 175.831 -1.192 17783 226 1 1 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.863 -1.847 17783 227 1 1 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.165 -1.488 17783 228 1 1 . 1 1 46 46 GLU H H 368 7.488 7.488 7.557 -0.069 17783 229 1 1 . 1 1 47 47 ASN N N 369 114.944 114.944 115.769 -0.825 17783 230 1 1 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.225 0.047 17783 231 1 1 . 1 1 47 47 ASN C C 369 174.759 174.759 174.204 0.555 17783 232 1 1 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.525 0.179 17783 233 1 1 . 1 1 47 47 ASN CB C 369 37.059 37.059 37.086 -0.027 17783 234 1 1 . 1 1 47 47 ASN H H 369 7.772 7.772 7.455 0.317 17783 235 1 1 . 1 1 48 48 LEU N N 370 116.008 116.008 119.065 -3.057 17783 236 1 1 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.911 0.209 17783 237 1 1 . 1 1 48 48 LEU C C 370 177.056 177.056 176.281 0.775 17783 238 1 1 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.614 -0.496 17783 239 1 1 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.389 1.528 17783 240 1 1 . 1 1 48 48 LEU H H 370 7.463 7.463 7.372 0.091 17783 241 1 1 . 1 1 49 49 LYS N N 371 120.012 120.012 123.217 -3.205 17783 242 1 1 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.411 0.149 17783 243 1 1 . 1 1 49 49 LYS C C 371 176.481 176.481 177.037 -0.556 17783 244 1 1 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.829 -0.500 17783 245 1 1 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.077 1.478 17783 246 1 1 . 1 1 49 49 LYS H H 371 8.518 8.518 8.188 0.330 17783 247 1 1 . 1 1 50 50 ASN N N 372 117.610 117.610 119.778 -2.168 17783 248 1 1 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.372 0.142 17783 249 1 1 . 1 1 50 50 ASN C C 372 173.445 173.445 173.256 0.189 17783 250 1 1 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.063 -0.626 17783 251 1 1 . 1 1 50 50 ASN CB C 372 37.932 37.932 37.869 0.063 17783 252 1 1 . 1 1 50 50 ASN H H 372 8.734 8.734 8.805 -0.071 17783 253 1 1 . 1 1 51 51 TYR N N 373 117.151 117.151 117.238 -0.087 17783 254 1 1 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.077 0.318 17783 255 1 1 . 1 1 51 51 TYR C C 373 173.549 173.549 173.779 -0.230 17783 256 1 1 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.482 0.300 17783 257 1 1 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.619 -0.208 17783 258 1 1 . 1 1 51 51 TYR H H 373 7.570 7.570 7.581 -0.011 17783 259 1 1 . 1 1 52 52 VAL N N 374 120.887 120.887 119.657 1.230 17783 260 1 1 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.326 -0.028 17783 261 1 1 . 1 1 52 52 VAL C C 374 174.289 174.289 174.897 -0.608 17783 262 1 1 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.568 0.146 17783 263 1 1 . 1 1 52 52 VAL CB C 374 36.584 36.584 33.781 2.803 17783 264 1 1 . 1 1 52 52 VAL H H 374 9.140 9.140 8.761 0.379 17783 265 1 1 . 1 1 53 53 VAL N N 375 126.060 126.060 126.790 -0.730 17783 266 1 1 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.219 1.196 17783 267 1 1 . 1 1 53 53 VAL C C 375 175.803 175.803 176.018 -0.215 17783 268 1 1 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.650 -1.994 17783 269 1 1 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.890 0.846 17783 270 1 1 . 1 1 53 53 VAL H H 375 8.600 8.600 8.380 0.220 17783 271 1 1 . 1 1 54 54 TYR N N 376 125.706 125.706 124.232 1.474 17783 272 1 1 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.111 0.311 17783 273 1 1 . 1 1 54 54 TYR C C 376 172.139 172.139 173.510 -1.371 17783 274 1 1 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.982 -0.853 17783 275 1 1 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.726 0.931 17783 276 1 1 . 1 1 54 54 TYR H H 376 9.292 9.292 8.408 0.884 17783 277 1 1 . 1 1 55 55 GLU N N 377 122.063 122.063 119.896 2.167 17783 278 1 1 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.957 0.757 17783 279 1 1 . 1 1 55 55 GLU C C 377 175.011 175.011 175.497 -0.486 17783 280 1 1 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.079 0.064 17783 281 1 1 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.689 1.970 17783 282 1 1 . 1 1 55 55 GLU H H 377 8.758 8.758 8.407 0.351 17783 283 1 1 . 1 1 56 56 THR N N 378 122.855 122.855 113.574 9.281 17783 284 1 1 . 1 1 56 56 THR HA H 378 4.848 4.848 4.548 0.300 17783 285 1 1 . 1 1 56 56 THR C C 378 173.550 173.550 172.716 0.834 17783 286 1 1 . 1 1 56 56 THR CA C 378 58.732 58.732 60.500 -1.768 17783 287 1 1 . 1 1 56 56 THR CB C 378 70.181 70.181 69.314 0.867 17783 288 1 1 . 1 1 56 56 THR H H 378 9.160 9.160 7.794 1.366 17783 289 1 1 . 1 1 57 57 THR N N 379 116.629 116.629 112.935 3.694 17783 290 1 1 . 1 1 57 57 THR HA H 379 5.145 5.145 4.672 0.473 17783 291 1 1 . 1 1 57 57 THR C C 379 173.973 173.973 172.825 1.148 17783 292 1 1 . 1 1 57 57 THR CA C 379 60.517 60.517 60.635 -0.118 17783 293 1 1 . 1 1 57 57 THR CB C 379 71.582 71.582 70.708 0.874 17783 294 1 1 . 1 1 57 57 THR H H 379 8.677 8.677 8.287 0.390 17783 295 1 1 . 1 1 58 58 ARG N N 380 124.546 124.546 124.451 0.095 17783 296 1 1 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.472 -0.164 17783 297 1 1 . 1 1 58 58 ARG C C 380 176.074 176.074 174.332 1.742 17783 298 1 1 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.789 -1.279 17783 299 1 1 . 1 1 58 58 ARG CB C 380 32.473 32.473 30.756 1.717 17783 300 1 1 . 1 1 58 58 ARG H H 380 9.117 9.117 8.660 0.457 17783 301 1 1 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.497 -0.191 17783 302 1 1 . 1 1 59 59 ASN C C 381 175.444 175.444 175.148 0.296 17783 303 1 1 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.206 1.031 17783 304 1 1 . 1 1 59 59 ASN CB C 381 37.213 37.213 38.052 -0.839 17783 305 1 1 . 1 1 60 60 GLY N N 382 103.015 103.015 106.095 -3.080 17783 306 1 1 . 1 1 60 60 GLY C C 382 173.488 173.488 173.811 -0.323 17783 307 1 1 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.256 -0.783 17783 308 1 1 . 1 1 60 60 GLY H H 382 8.639 8.639 8.596 0.043 17783 309 1 1 . 1 1 61 61 GLN N N 383 119.903 119.903 118.526 1.377 17783 310 1 1 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.581 0.419 17783 311 1 1 . 1 1 61 61 GLN C C 383 172.730 172.730 173.560 -0.830 17783 312 1 1 . 1 1 61 61 GLN CA C 383 52.691 52.691 53.056 -0.365 17783 313 1 1 . 1 1 61 61 GLN CB C 383 30.711 30.711 29.862 0.849 17783 314 1 1 . 1 1 61 61 GLN H H 383 7.697 7.697 7.816 -0.119 17783 315 1 1 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.573 0.041 17783 316 1 1 . 1 1 62 62 PRO C C 384 175.576 175.576 175.640 -0.064 17783 317 1 1 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.783 1.219 17783 318 1 1 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.087 0.458 17783 319 1 1 . 1 1 63 63 TRP N N 385 126.621 126.621 123.337 3.284 17783 320 1 1 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.767 -0.256 17783 321 1 1 . 1 1 63 63 TRP C C 385 172.096 172.096 173.739 -1.643 17783 322 1 1 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.893 0.189 17783 323 1 1 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.178 1.996 17783 324 1 1 . 1 1 63 63 TRP H H 385 8.063 8.063 7.650 0.413 17783 325 1 1 . 1 1 64 64 TYR N N 386 124.129 124.129 122.862 1.267 17783 326 1 1 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.323 0.895 17783 327 1 1 . 1 1 64 64 TYR C C 386 173.544 173.544 174.087 -0.543 17783 328 1 1 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.736 0.033 17783 329 1 1 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.014 3.418 17783 330 1 1 . 1 1 64 64 TYR H H 386 7.954 7.954 7.927 0.027 17783 331 1 1 . 1 1 65 65 VAL N N 387 121.167 121.167 121.272 -0.105 17783 332 1 1 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.267 -0.404 17783 333 1 1 . 1 1 65 65 VAL C C 387 172.675 172.675 174.656 -1.981 17783 334 1 1 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.787 0.470 17783 335 1 1 . 1 1 65 65 VAL CB C 387 34.133 34.133 34.067 0.066 17783 336 1 1 . 1 1 65 65 VAL H H 387 8.409 8.409 6.940 1.469 17783 337 1 1 . 1 1 66 66 LEU N N 388 127.479 127.479 126.780 0.699 17783 338 1 1 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.896 0.526 17783 339 1 1 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.799 -0.303 17783 340 1 1 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.606 1.149 17783 341 1 1 . 1 1 66 66 LEU H H 388 8.200 8.200 8.456 -0.256 17783 342 1 1 . 1 1 67 67 VAL N N 389 120.778 120.778 115.903 4.875 17783 343 1 1 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.632 1.208 17783 344 1 1 . 1 1 67 67 VAL C C 389 174.934 174.934 174.253 0.681 17783 345 1 1 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.436 -2.609 17783 346 1 1 . 1 1 67 67 VAL CB C 389 33.693 33.693 35.325 -1.631 17783 347 1 1 . 1 1 67 67 VAL H H 389 9.314 9.314 8.392 0.922 17783 348 1 1 . 1 1 68 68 SER N N 390 113.588 113.588 119.440 -5.852 17783 349 1 1 . 1 1 68 68 SER HA H 390 4.850 4.850 4.763 0.087 17783 350 1 1 . 1 1 68 68 SER C C 390 174.691 174.691 175.778 -1.087 17783 351 1 1 . 1 1 68 68 SER CA C 390 58.213 58.213 57.032 1.181 17783 352 1 1 . 1 1 68 68 SER CB C 390 66.007 66.007 62.659 3.348 17783 353 1 1 . 1 1 68 68 SER H H 390 8.803 8.803 8.512 0.291 17783 354 1 1 . 1 1 69 69 GLY N N 391 115.161 115.161 117.219 -2.058 17783 355 1 1 . 1 1 69 69 GLY C C 391 172.208 172.208 172.994 -0.786 17783 356 1 1 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.831 -1.506 17783 357 1 1 . 1 1 69 69 GLY H H 391 8.436 8.436 8.369 0.067 17783 358 1 1 . 1 1 70 70 VAL N N 392 117.033 117.033 116.254 0.779 17783 359 1 1 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.325 0.155 17783 360 1 1 . 1 1 70 70 VAL C C 392 174.635 174.635 173.989 0.646 17783 361 1 1 . 1 1 70 70 VAL CA C 392 62.203 62.203 59.310 2.893 17783 362 1 1 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.184 0.053 17783 363 1 1 . 1 1 70 70 VAL H H 392 7.188 7.188 7.509 -0.321 17783 364 1 1 . 1 1 71 71 TYR N N 393 124.867 124.867 123.233 1.634 17783 365 1 1 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.700 0.101 17783 366 1 1 . 1 1 71 71 TYR C C 393 175.550 175.550 177.398 -1.848 17783 367 1 1 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.806 -1.522 17783 368 1 1 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.022 3.521 17783 369 1 1 . 1 1 71 71 TYR H H 393 9.517 9.517 7.804 1.713 17783 370 1 1 . 1 1 72 72 ALA N N 394 124.217 124.217 126.279 -2.062 17783 371 1 1 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.732 -0.961 17783 372 1 1 . 1 1 72 72 ALA C C 394 175.911 175.911 177.950 -2.039 17783 373 1 1 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.996 -1.739 17783 374 1 1 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.658 0.363 17783 375 1 1 . 1 1 72 72 ALA H H 394 8.984 8.984 9.071 -0.087 17783 376 1 1 . 1 1 73 73 SER N N 395 106.325 106.325 111.489 -5.164 17783 377 1 1 . 1 1 73 73 SER HA H 395 4.769 4.769 5.115 -0.346 17783 378 1 1 . 1 1 73 73 SER C C 395 173.686 173.686 175.595 -1.909 17783 379 1 1 . 1 1 73 73 SER CA C 395 56.031 56.031 56.979 -0.948 17783 380 1 1 . 1 1 73 73 SER CB C 395 66.773 66.773 65.054 1.719 17783 381 1 1 . 1 1 73 73 SER H H 395 7.251 7.251 7.882 -0.631 17783 382 1 1 . 1 1 74 74 LYS N N 396 123.531 123.531 122.997 0.534 17783 383 1 1 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.842 -0.948 17783 384 1 1 . 1 1 74 74 LYS C C 396 178.040 178.040 177.714 0.326 17783 385 1 1 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.422 1.121 17783 386 1 1 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.999 -0.363 17783 387 1 1 . 1 1 74 74 LYS H H 396 8.742 8.742 8.486 0.256 17783 388 1 1 . 1 1 75 75 GLU N N 397 118.740 118.740 119.488 -0.748 17783 389 1 1 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.981 -0.167 17783 390 1 1 . 1 1 75 75 GLU C C 397 179.136 179.136 178.074 1.062 17783 391 1 1 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.364 0.713 17783 392 1 1 . 1 1 75 75 GLU CB C 397 28.748 28.748 28.821 -0.073 17783 393 1 1 . 1 1 75 75 GLU H H 397 8.529 8.529 8.428 0.101 17783 394 1 1 . 1 1 76 76 GLU N N 398 119.987 119.987 118.917 1.070 17783 395 1 1 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.211 -0.376 17783 396 1 1 . 1 1 76 76 GLU C C 398 178.564 178.564 177.879 0.685 17783 397 1 1 . 1 1 76 76 GLU CA C 398 59.362 59.362 57.114 2.248 17783 398 1 1 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.457 0.974 17783 399 1 1 . 1 1 76 76 GLU H H 398 7.804 7.804 8.541 -0.737 17783 400 1 1 . 1 1 77 77 ALA N N 399 122.630 122.630 123.145 -0.515 17783 401 1 1 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.443 -0.855 17783 402 1 1 . 1 1 77 77 ALA C C 399 177.764 177.764 178.851 -1.087 17783 403 1 1 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.931 -0.570 17783 404 1 1 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.043 -0.378 17783 405 1 1 . 1 1 77 77 ALA H H 399 7.294 7.294 7.457 -0.163 17783 406 1 1 . 1 1 78 78 LYS N N 400 115.403 115.403 118.349 -2.946 17783 407 1 1 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.824 -0.054 17783 408 1 1 . 1 1 78 78 LYS C C 400 180.700 180.700 179.321 1.379 17783 409 1 1 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.466 0.076 17783 410 1 1 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.227 -0.394 17783 411 1 1 . 1 1 78 78 LYS H H 400 8.001 8.001 7.545 0.456 17783 412 1 1 . 1 1 79 79 LYS N N 401 119.756 119.756 118.973 0.783 17783 413 1 1 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.013 -0.044 17783 414 1 1 . 1 1 79 79 LYS C C 401 178.347 178.347 178.570 -0.223 17783 415 1 1 . 1 1 79 79 LYS CA C 401 58.976 58.976 59.111 -0.135 17783 416 1 1 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.369 -0.071 17783 417 1 1 . 1 1 79 79 LYS H H 401 7.788 7.788 7.564 0.224 17783 418 1 1 . 1 1 80 80 ALA N N 402 120.725 120.725 121.462 -0.737 17783 419 1 1 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.008 0.135 17783 420 1 1 . 1 1 80 80 ALA C C 402 180.118 180.118 179.354 0.764 17783 421 1 1 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.944 -1.172 17783 422 1 1 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.755 0.714 17783 423 1 1 . 1 1 80 80 ALA H H 402 7.334 7.334 7.851 -0.517 17783 424 1 1 . 1 1 81 81 VAL N N 403 120.431 120.431 117.719 2.712 17783 425 1 1 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.595 -0.233 17783 426 1 1 . 1 1 81 81 VAL C C 403 177.205 177.205 178.437 -1.232 17783 427 1 1 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.832 0.896 17783 428 1 1 . 1 1 81 81 VAL CB C 403 31.733 31.733 30.920 0.813 17783 429 1 1 . 1 1 81 81 VAL H H 403 7.480 7.480 7.461 0.019 17783 430 1 1 . 1 1 82 82 SER N N 404 110.126 110.126 113.431 -3.305 17783 431 1 1 . 1 1 82 82 SER HA H 404 4.143 4.143 4.121 0.022 17783 432 1 1 . 1 1 82 82 SER C C 404 174.813 174.813 175.318 -0.505 17783 433 1 1 . 1 1 82 82 SER CA C 404 60.751 60.751 61.387 -0.636 17783 434 1 1 . 1 1 82 82 SER CB C 404 63.287 63.287 62.765 0.522 17783 435 1 1 . 1 1 82 82 SER H H 404 7.326 7.326 7.932 -0.606 17783 436 1 1 . 1 1 83 83 THR N N 405 110.438 110.438 112.188 -1.750 17783 437 1 1 . 1 1 83 83 THR HA H 405 4.461 4.461 4.069 0.392 17783 438 1 1 . 1 1 83 83 THR C C 405 175.081 175.081 175.311 -0.230 17783 439 1 1 . 1 1 83 83 THR CA C 405 61.761 61.761 63.437 -1.676 17783 440 1 1 . 1 1 83 83 THR CB C 405 69.795 69.795 68.995 0.800 17783 441 1 1 . 1 1 83 83 THR H H 405 7.634 7.634 7.322 0.312 17783 442 1 1 . 1 1 84 84 LEU N N 406 123.244 123.244 123.733 -0.489 17783 443 1 1 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.357 0.283 17783 444 1 1 . 1 1 84 84 LEU C C 406 174.599 174.599 175.426 -0.827 17783 445 1 1 . 1 1 84 84 LEU CA C 406 53.295 53.295 53.493 -0.199 17783 446 1 1 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.200 -0.491 17783 447 1 1 . 1 1 84 84 LEU H H 406 7.478 7.478 7.645 -0.167 17783 448 1 1 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.520 -0.027 17783 449 1 1 . 1 1 85 85 PRO C C 407 177.743 177.743 177.320 0.423 17783 450 1 1 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.357 0.787 17783 451 1 1 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.506 0.415 17783 452 1 1 . 1 1 86 86 ALA N N 408 128.809 128.809 121.447 7.362 17783 453 1 1 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.013 -0.067 17783 454 1 1 . 1 1 86 86 ALA C C 408 180.517 180.517 179.271 1.246 17783 455 1 1 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.599 0.906 17783 456 1 1 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.687 -0.342 17783 457 1 1 . 1 1 86 86 ALA H H 408 9.168 9.168 8.538 0.630 17783 458 1 1 . 1 1 87 87 ASP N N 409 116.520 116.520 118.405 -1.885 17783 459 1 1 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.400 0.062 17783 460 1 1 . 1 1 87 87 ASP C C 409 178.081 178.081 177.832 0.249 17783 461 1 1 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.080 -0.145 17783 462 1 1 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.044 0.315 17783 463 1 1 . 1 1 87 87 ASP H H 409 9.359 9.359 8.738 0.621 17783 464 1 1 . 1 1 88 88 VAL N N 410 117.452 117.452 117.284 0.168 17783 465 1 1 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.083 0.006 17783 466 1 1 . 1 1 88 88 VAL C C 410 178.675 178.675 178.784 -0.109 17783 467 1 1 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.598 -0.723 17783 468 1 1 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.862 -0.577 17783 469 1 1 . 1 1 88 88 VAL H H 410 7.355 7.355 8.198 -0.843 17783 470 1 1 . 1 1 89 89 GLN N N 411 119.387 119.387 120.305 -0.918 17783 471 1 1 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.060 -0.416 17783 472 1 1 . 1 1 89 89 GLN C C 411 179.168 179.168 178.480 0.688 17783 473 1 1 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.656 2.056 17783 474 1 1 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.556 -0.046 17783 475 1 1 . 1 1 89 89 GLN H H 411 8.271 8.271 8.382 -0.111 17783 476 1 1 . 1 1 90 90 ALA N N 412 118.634 118.634 122.948 -4.314 17783 477 1 1 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.213 0.052 17783 478 1 1 . 1 1 90 90 ALA C C 412 177.949 177.949 178.303 -0.354 17783 479 1 1 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.480 -0.538 17783 480 1 1 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.519 -0.192 17783 481 1 1 . 1 1 90 90 ALA H H 412 7.794 7.794 8.620 -0.826 17783 482 1 1 . 1 1 91 91 LYS N N 413 115.842 115.842 116.421 -0.579 17783 483 1 1 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.294 0.038 17783 484 1 1 . 1 1 91 91 LYS C C 413 175.829 175.829 176.056 -0.227 17783 485 1 1 . 1 1 91 91 LYS CA C 413 55.370 55.370 54.911 0.459 17783 486 1 1 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.343 0.141 17783 487 1 1 . 1 1 91 91 LYS H H 413 7.398 7.398 7.446 -0.048 17783 488 1 1 . 1 1 92 92 ASN N N 414 113.776 113.776 117.074 -3.298 17783 489 1 1 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.440 0.096 17783 490 1 1 . 1 1 92 92 ASN C C 414 171.075 171.075 172.948 -1.873 17783 491 1 1 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.267 0.796 17783 492 1 1 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.387 0.694 17783 493 1 1 . 1 1 92 92 ASN H H 414 8.178 8.178 7.769 0.409 17783 494 1 1 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.414 0.588 17783 495 1 1 . 1 1 93 93 PRO C C 415 175.682 175.682 176.455 -0.773 17783 496 1 1 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.408 0.082 17783 497 1 1 . 1 1 93 93 PRO CB C 415 33.585 33.585 31.093 2.492 17783 498 1 1 . 1 1 94 94 TRP N N 416 117.925 117.925 124.037 -6.112 17783 499 1 1 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.602 0.415 17783 500 1 1 . 1 1 94 94 TRP C C 416 173.607 173.607 175.366 -1.759 17783 501 1 1 . 1 1 94 94 TRP CA C 416 53.995 53.995 55.405 -1.410 17783 502 1 1 . 1 1 94 94 TRP CB C 416 31.507 31.507 28.672 2.835 17783 503 1 1 . 1 1 94 94 TRP H H 416 7.921 7.921 7.962 -0.041 17783 504 1 1 . 1 1 95 95 ALA N N 417 123.924 123.924 128.102 -4.178 17783 505 1 1 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.018 0.737 17783 506 1 1 . 1 1 95 95 ALA C C 417 174.171 174.171 176.313 -2.142 17783 507 1 1 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.798 -1.161 17783 508 1 1 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.353 0.115 17783 509 1 1 . 1 1 95 95 ALA H H 417 8.878 8.878 8.411 0.467 17783 510 1 1 . 1 1 96 96 LYS N N 418 129.441 129.441 123.947 5.494 17783 511 1 1 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.409 0.612 17783 512 1 1 . 1 1 96 96 LYS C C 418 173.451 173.451 174.063 -0.612 17783 513 1 1 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.898 -0.334 17783 514 1 1 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.443 3.541 17783 515 1 1 . 1 1 96 96 LYS H H 418 9.235 9.235 8.270 0.965 17783 516 1 1 . 1 1 97 97 PRO HA H 419 3.764 3.764 3.773 -0.009 17783 517 1 1 . 1 1 97 97 PRO C C 419 178.893 178.893 177.297 1.596 17783 518 1 1 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.122 -0.227 17783 519 1 1 . 1 1 97 97 PRO CB C 419 32.720 32.720 31.853 0.867 17783 520 1 1 . 1 1 98 98 LEU N N 420 126.746 126.746 126.245 0.501 17783 521 1 1 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.890 -0.087 17783 522 1 1 . 1 1 98 98 LEU C C 420 179.040 179.040 178.075 0.965 17783 523 1 1 . 1 1 98 98 LEU CA C 420 57.368 57.368 57.366 0.002 17783 524 1 1 . 1 1 98 98 LEU CB C 420 39.941 39.941 42.193 -2.252 17783 525 1 1 . 1 1 98 98 LEU H H 420 9.179 9.179 7.994 1.185 17783 526 1 1 . 1 1 99 99 ARG N N 421 118.262 118.262 117.156 1.106 17783 527 1 1 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.196 -0.137 17783 528 1 1 . 1 1 99 99 ARG C C 421 178.140 178.140 177.306 0.834 17783 529 1 1 . 1 1 99 99 ARG CA C 421 59.093 59.093 57.957 1.136 17783 530 1 1 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.771 0.185 17783 531 1 1 . 1 1 99 99 ARG H H 421 8.014 8.014 7.946 0.068 17783 532 1 1 . 1 1 100 100 GLN N N 422 116.539 116.539 119.228 -2.689 17783 533 1 1 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.184 0.026 17783 534 1 1 . 1 1 100 100 GLN C C 422 177.594 177.594 177.877 -0.283 17783 535 1 1 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.611 -0.878 17783 536 1 1 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.223 -0.045 17783 537 1 1 . 1 1 100 100 GLN H H 422 7.258 7.258 8.176 -0.918 17783 538 1 1 . 1 1 101 101 VAL N N 423 119.665 119.665 120.854 -1.189 17783 539 1 1 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.741 -0.193 17783 540 1 1 . 1 1 101 101 VAL C C 423 177.040 177.040 177.287 -0.247 17783 541 1 1 . 1 1 101 101 VAL CA C 423 65.447 65.447 64.539 0.908 17783 542 1 1 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.668 0.885 17783 543 1 1 . 1 1 101 101 VAL H H 423 7.090 7.090 8.090 -1.000 17783 544 1 1 . 1 1 102 102 GLN N N 424 115.032 115.032 117.590 -2.558 17783 545 1 1 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.933 -0.368 17783 546 1 1 . 1 1 102 102 GLN C C 424 177.994 177.994 176.414 1.580 17783 547 1 1 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.012 0.871 17783 548 1 1 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.036 -0.976 17783 549 1 1 . 1 1 102 102 GLN H H 424 8.553 8.553 8.113 0.440 17783 550 1 1 . 1 1 103 103 ALA N N 425 120.742 120.742 121.925 -1.183 17783 551 1 1 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.116 0.042 17783 552 1 1 . 1 1 103 103 ALA C C 425 178.545 178.545 178.812 -0.267 17783 553 1 1 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.254 0.021 17783 554 1 1 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.849 -0.527 17783 555 1 1 . 1 1 103 103 ALA H H 425 7.366 7.366 7.785 -0.419 17783 556 1 1 . 1 1 104 104 ASP N N 426 117.066 117.066 118.728 -1.662 17783 557 1 1 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.497 0.211 17783 558 1 1 . 1 1 104 104 ASP C C 426 176.876 176.876 177.232 -0.356 17783 559 1 1 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.838 -0.615 17783 560 1 1 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.192 1.308 17783 561 1 1 . 1 1 104 104 ASP H H 426 7.628 7.628 8.134 -0.506 17783 562 1 1 . 1 1 105 105 LEU N N 427 119.853 119.853 120.916 -1.063 17783 563 1 1 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.271 0.028 17783 564 1 1 . 1 1 105 105 LEU C C 427 176.118 176.118 175.755 0.363 17783 565 1 1 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.303 -0.317 17783 566 1 1 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.217 -0.139 17783 567 1 1 . 1 1 105 105 LEU H H 427 7.242 7.242 7.505 -0.263 17783 568 1 2 . 1 1 2 2 ARG N N 324 121.883 121.883 120.075 1.808 17783 569 1 2 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.105 0.239 17783 570 1 2 . 1 1 2 2 ARG C C 324 176.887 176.887 175.929 0.958 17783 571 1 2 . 1 1 2 2 ARG CA C 324 56.505 56.505 57.549 -1.044 17783 572 1 2 . 1 1 2 2 ARG CB C 324 30.734 30.734 29.771 0.963 17783 573 1 2 . 1 1 2 2 ARG H H 324 8.373 8.373 8.480 -0.107 17783 574 1 2 . 1 1 3 3 GLY N N 325 111.231 111.231 107.300 3.931 17783 575 1 2 . 1 1 3 3 GLY C C 325 174.037 174.037 174.760 -0.723 17783 576 1 2 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.752 -0.524 17783 577 1 2 . 1 1 3 3 GLY H H 325 8.683 8.683 8.290 0.393 17783 578 1 2 . 1 1 4 4 SER N N 326 115.541 115.541 113.398 2.143 17783 579 1 2 . 1 1 4 4 SER HA H 326 4.377 4.377 4.314 0.063 17783 580 1 2 . 1 1 4 4 SER C C 326 174.454 174.454 174.097 0.357 17783 581 1 2 . 1 1 4 4 SER CA C 326 58.315 58.315 58.897 -0.582 17783 582 1 2 . 1 1 4 4 SER CB C 326 63.902 63.902 63.370 0.532 17783 583 1 2 . 1 1 4 4 SER H H 326 8.237 8.237 8.180 0.057 17783 584 1 2 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.420 0.160 17783 585 1 2 . 1 1 10 10 HIS C C 332 175.292 175.292 174.248 1.044 17783 586 1 2 . 1 1 10 10 HIS CA C 332 55.946 55.946 56.144 -0.198 17783 587 1 2 . 1 1 10 10 HIS CB C 332 30.123 30.123 30.889 -0.766 17783 588 1 2 . 1 1 11 11 GLY N N 333 110.527 110.527 112.620 -2.093 17783 589 1 2 . 1 1 11 11 GLY C C 333 174.126 174.126 173.724 0.402 17783 590 1 2 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.686 0.641 17783 591 1 2 . 1 1 11 11 GLY H H 333 8.540 8.540 8.557 -0.017 17783 592 1 2 . 1 1 12 12 SER N N 334 115.752 115.752 114.424 1.328 17783 593 1 2 . 1 1 12 12 SER HA H 334 4.436 4.436 3.259 1.177 17783 594 1 2 . 1 1 12 12 SER C C 334 174.538 174.538 173.199 1.339 17783 595 1 2 . 1 1 12 12 SER CA C 334 58.486 58.486 58.110 0.376 17783 596 1 2 . 1 1 12 12 SER CB C 334 63.927 63.927 61.968 1.959 17783 597 1 2 . 1 1 12 12 SER H H 334 8.356 8.356 6.333 2.023 17783 598 1 2 . 1 1 13 13 ASN N N 335 120.410 120.410 123.882 -3.472 17783 599 1 2 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.714 0.015 17783 600 1 2 . 1 1 13 13 ASN C C 335 175.116 175.116 174.619 0.497 17783 601 1 2 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.766 -0.380 17783 602 1 2 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.117 -0.449 17783 603 1 2 . 1 1 13 13 ASN H H 335 8.575 8.575 8.278 0.297 17783 604 1 2 . 1 1 14 14 ASN N N 336 119.094 119.094 118.521 0.573 17783 605 1 2 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.699 0.030 17783 606 1 2 . 1 1 14 14 ASN C C 336 175.395 175.395 174.474 0.921 17783 607 1 2 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.117 0.268 17783 608 1 2 . 1 1 14 14 ASN CB C 336 38.669 38.669 39.146 -0.477 17783 609 1 2 . 1 1 14 14 ASN H H 336 8.447 8.447 8.596 -0.149 17783 610 1 2 . 1 1 15 15 ASN N N 337 118.915 118.915 117.918 0.997 17783 611 1 2 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.419 0.115 17783 612 1 2 . 1 1 15 15 ASN C C 337 176.390 176.390 176.224 0.166 17783 613 1 2 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.622 0.369 17783 614 1 2 . 1 1 15 15 ASN CB C 337 38.621 38.621 37.906 0.715 17783 615 1 2 . 1 1 15 15 ASN H H 337 8.446 8.446 8.417 0.029 17783 616 1 2 . 1 1 16 16 GLY N N 338 108.851 108.851 105.763 3.088 17783 617 1 2 . 1 1 16 16 GLY C C 338 175.459 175.459 175.401 0.058 17783 618 1 2 . 1 1 16 16 GLY CA C 338 46.752 46.752 46.499 0.253 17783 619 1 2 . 1 1 16 16 GLY H H 338 8.454 8.454 8.670 -0.216 17783 620 1 2 . 1 1 17 17 SER N N 339 116.218 116.218 117.752 -1.534 17783 621 1 2 . 1 1 17 17 SER HA H 339 4.229 4.229 4.197 0.032 17783 622 1 2 . 1 1 17 17 SER C C 339 175.869 175.869 175.531 0.338 17783 623 1 2 . 1 1 17 17 SER CA C 339 59.759 59.759 60.483 -0.723 17783 624 1 2 . 1 1 17 17 SER CB C 339 62.973 62.973 62.880 0.093 17783 625 1 2 . 1 1 17 17 SER H H 339 8.170 8.170 8.026 0.144 17783 626 1 2 . 1 1 18 18 LEU N N 340 121.515 121.515 120.138 1.377 17783 627 1 2 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.191 -0.189 17783 628 1 2 . 1 1 18 18 LEU C C 340 178.399 178.399 178.924 -0.525 17783 629 1 2 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.887 0.264 17783 630 1 2 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.795 0.281 17783 631 1 2 . 1 1 18 18 LEU H H 340 7.790 7.790 7.750 0.040 17783 632 1 2 . 1 1 19 19 LYS N N 341 117.145 117.145 119.974 -2.829 17783 633 1 2 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.033 -0.225 17783 634 1 2 . 1 1 19 19 LYS C C 341 176.960 176.960 177.979 -1.019 17783 635 1 2 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.660 0.532 17783 636 1 2 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.228 0.565 17783 637 1 2 . 1 1 19 19 LYS H H 341 7.893 7.893 7.680 0.213 17783 638 1 2 . 1 1 20 20 SER N N 342 110.377 110.377 112.845 -2.468 17783 639 1 2 . 1 1 20 20 SER HA H 342 4.369 4.369 4.323 0.046 17783 640 1 2 . 1 1 20 20 SER C C 342 173.735 173.735 173.511 0.224 17783 641 1 2 . 1 1 20 20 SER CA C 342 58.141 58.141 58.435 -0.294 17783 642 1 2 . 1 1 20 20 SER CB C 342 63.900 63.900 63.239 0.661 17783 643 1 2 . 1 1 20 20 SER H H 342 7.546 7.546 7.596 -0.050 17783 644 1 2 . 1 1 21 21 ALA N N 343 125.662 125.662 123.047 2.615 17783 645 1 2 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.557 -0.195 17783 646 1 2 . 1 1 21 21 ALA C C 343 174.051 174.051 174.623 -0.572 17783 647 1 2 . 1 1 21 21 ALA CA C 343 50.572 50.572 50.238 0.334 17783 648 1 2 . 1 1 21 21 ALA CB C 343 18.134 18.134 19.327 -1.193 17783 649 1 2 . 1 1 21 21 ALA H H 343 6.852 6.852 7.341 -0.489 17783 650 1 2 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.542 -0.304 17783 651 1 2 . 1 1 22 22 PRO C C 344 178.184 178.184 177.682 0.502 17783 652 1 2 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.660 0.422 17783 653 1 2 . 1 1 22 22 PRO CB C 344 31.604 31.604 32.626 -1.022 17783 654 1 2 . 1 1 23 23 SER N N 345 118.662 118.662 120.630 -1.968 17783 655 1 2 . 1 1 23 23 SER HA H 345 3.825 3.825 4.193 -0.368 17783 656 1 2 . 1 1 23 23 SER C C 345 174.231 174.231 175.287 -1.056 17783 657 1 2 . 1 1 23 23 SER CA C 345 60.892 60.892 60.165 0.727 17783 658 1 2 . 1 1 23 23 SER CB C 345 63.223 63.223 63.029 0.194 17783 659 1 2 . 1 1 23 23 SER H H 345 8.566 8.566 8.662 -0.096 17783 660 1 2 . 1 1 24 24 SER N N 346 111.938 111.938 117.063 -5.125 17783 661 1 2 . 1 1 24 24 SER HA H 346 4.383 4.383 4.414 -0.031 17783 662 1 2 . 1 1 24 24 SER C C 346 175.152 175.152 174.458 0.694 17783 663 1 2 . 1 1 24 24 SER CA C 346 58.247 58.247 60.367 -2.120 17783 664 1 2 . 1 1 24 24 SER CB C 346 63.958 63.958 63.440 0.518 17783 665 1 2 . 1 1 24 24 SER H H 346 7.675 7.675 8.122 -0.447 17783 666 1 2 . 1 1 25 25 HIS N N 347 122.882 122.882 119.462 3.420 17783 667 1 2 . 1 1 25 25 HIS HA H 347 4.850 4.850 5.256 -0.406 17783 668 1 2 . 1 1 25 25 HIS C C 347 173.574 173.574 174.598 -1.024 17783 669 1 2 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.879 0.196 17783 670 1 2 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.586 1.262 17783 671 1 2 . 1 1 25 25 HIS H H 347 7.628 7.628 7.514 0.114 17783 672 1 2 . 1 1 26 26 TYR N N 348 117.921 117.921 122.221 -4.300 17783 673 1 2 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.747 0.242 17783 674 1 2 . 1 1 26 26 TYR C C 348 174.086 174.086 174.482 -0.396 17783 675 1 2 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.910 0.277 17783 676 1 2 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.020 1.815 17783 677 1 2 . 1 1 26 26 TYR H H 348 9.606 9.606 8.615 0.991 17783 678 1 2 . 1 1 27 27 THR N N 349 115.914 115.914 117.506 -1.592 17783 679 1 2 . 1 1 27 27 THR HA H 349 5.027 5.027 4.823 0.204 17783 680 1 2 . 1 1 27 27 THR C C 349 172.904 172.904 173.515 -0.611 17783 681 1 2 . 1 1 27 27 THR CA C 349 58.835 58.835 60.996 -2.161 17783 682 1 2 . 1 1 27 27 THR CB C 349 70.587 70.587 69.350 1.237 17783 683 1 2 . 1 1 27 27 THR H H 349 8.974 8.974 8.520 0.454 17783 684 1 2 . 1 1 28 28 LEU N N 350 123.392 123.392 126.967 -3.575 17783 685 1 2 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.365 0.624 17783 686 1 2 . 1 1 28 28 LEU C C 350 176.111 176.111 176.440 -0.329 17783 687 1 2 . 1 1 28 28 LEU CA C 350 53.098 53.098 54.628 -1.530 17783 688 1 2 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.475 2.395 17783 689 1 2 . 1 1 28 28 LEU H H 350 8.249 8.249 8.475 -0.226 17783 690 1 2 . 1 1 29 29 GLN N N 351 122.797 122.797 117.422 5.375 17783 691 1 2 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.622 -0.069 17783 692 1 2 . 1 1 29 29 GLN C C 351 175.435 175.435 175.283 0.152 17783 693 1 2 . 1 1 29 29 GLN CA C 351 55.943 55.943 55.163 0.780 17783 694 1 2 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.414 -3.183 17783 695 1 2 . 1 1 29 29 GLN H H 351 8.915 8.915 8.202 0.713 17783 696 1 2 . 1 1 30 30 LEU N N 352 125.239 125.239 121.065 4.174 17783 697 1 2 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.986 -0.619 17783 698 1 2 . 1 1 30 30 LEU C C 352 177.250 177.250 175.697 1.553 17783 699 1 2 . 1 1 30 30 LEU CA C 352 56.101 56.101 54.513 1.588 17783 700 1 2 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.316 -0.216 17783 701 1 2 . 1 1 30 30 LEU H H 352 8.920 8.920 8.630 0.290 17783 702 1 2 . 1 1 31 31 SER N N 353 106.816 106.816 115.903 -9.087 17783 703 1 2 . 1 1 31 31 SER HA H 353 4.493 4.493 5.040 -0.546 17783 704 1 2 . 1 1 31 31 SER C C 353 171.831 171.831 173.195 -1.364 17783 705 1 2 . 1 1 31 31 SER CA C 353 57.160 57.160 57.365 -0.205 17783 706 1 2 . 1 1 31 31 SER CB C 353 64.360 64.360 66.275 -1.915 17783 707 1 2 . 1 1 31 31 SER H H 353 7.548 7.548 8.053 -0.505 17783 708 1 2 . 1 1 32 32 SER N N 354 113.518 113.518 118.011 -4.493 17783 709 1 2 . 1 1 32 32 SER HA H 354 5.026 5.026 4.070 0.956 17783 710 1 2 . 1 1 32 32 SER C C 354 172.512 172.512 172.637 -0.125 17783 711 1 2 . 1 1 32 32 SER CA C 354 57.285 57.285 57.458 -0.173 17783 712 1 2 . 1 1 32 32 SER CB C 354 65.347 65.347 64.768 0.579 17783 713 1 2 . 1 1 32 32 SER H H 354 8.127 8.127 8.387 -0.260 17783 714 1 2 . 1 1 33 33 SER N N 355 114.624 114.624 115.907 -1.283 17783 715 1 2 . 1 1 33 33 SER HA H 355 4.106 4.106 4.238 -0.132 17783 716 1 2 . 1 1 33 33 SER C C 355 171.639 171.639 172.077 -0.438 17783 717 1 2 . 1 1 33 33 SER CA C 355 57.276 57.276 57.642 -0.366 17783 718 1 2 . 1 1 33 33 SER CB C 355 64.539 64.539 64.222 0.317 17783 719 1 2 . 1 1 33 33 SER H H 355 8.616 8.616 6.536 2.080 17783 720 1 2 . 1 1 34 34 SER N N 356 116.467 116.467 116.368 0.099 17783 721 1 2 . 1 1 34 34 SER HA H 356 4.241 4.241 5.111 -0.870 17783 722 1 2 . 1 1 34 34 SER C C 356 173.820 173.820 173.151 0.669 17783 723 1 2 . 1 1 34 34 SER CA C 356 59.074 59.074 58.124 0.950 17783 724 1 2 . 1 1 34 34 SER CB C 356 63.741 63.741 63.666 0.075 17783 725 1 2 . 1 1 34 34 SER H H 356 8.132 8.132 8.422 -0.290 17783 726 1 2 . 1 1 35 35 ASN N N 357 122.206 122.206 118.302 3.904 17783 727 1 2 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.037 -0.116 17783 728 1 2 . 1 1 35 35 ASN C C 357 172.965 172.965 173.619 -0.654 17783 729 1 2 . 1 1 35 35 ASN CA C 357 52.447 52.447 52.766 -0.319 17783 730 1 2 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.855 0.070 17783 731 1 2 . 1 1 35 35 ASN H H 357 8.511 8.511 8.039 0.472 17783 732 1 2 . 1 1 36 36 TYR N N 358 127.519 127.519 122.348 5.171 17783 733 1 2 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.040 -1.067 17783 734 1 2 . 1 1 36 36 TYR C C 358 176.522 176.522 175.916 0.606 17783 735 1 2 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.318 0.651 17783 736 1 2 . 1 1 36 36 TYR CB C 358 37.711 37.711 39.915 -2.204 17783 737 1 2 . 1 1 36 36 TYR H H 358 8.002 8.002 8.684 -0.682 17783 738 1 2 . 1 1 37 37 ASP N N 359 118.658 118.658 118.307 0.351 17783 739 1 2 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.297 -0.153 17783 740 1 2 . 1 1 37 37 ASP C C 359 179.804 179.804 178.354 1.450 17783 741 1 2 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.575 -0.072 17783 742 1 2 . 1 1 37 37 ASP CB C 359 40.178 40.178 39.626 0.552 17783 743 1 2 . 1 1 37 37 ASP H H 359 8.033 8.033 8.876 -0.843 17783 744 1 2 . 1 1 38 38 ASN N N 360 119.802 119.802 118.468 1.334 17783 745 1 2 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.561 -0.258 17783 746 1 2 . 1 1 38 38 ASN C C 360 177.720 177.720 177.753 -0.033 17783 747 1 2 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.285 0.165 17783 748 1 2 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.007 -0.243 17783 749 1 2 . 1 1 38 38 ASN H H 360 8.380 8.380 8.519 -0.139 17783 750 1 2 . 1 1 39 39 LEU N N 361 121.625 121.625 121.049 0.576 17783 751 1 2 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.219 -0.122 17783 752 1 2 . 1 1 39 39 LEU C C 361 177.738 177.738 178.421 -0.683 17783 753 1 2 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.775 -0.210 17783 754 1 2 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.645 1.083 17783 755 1 2 . 1 1 39 39 LEU H H 361 7.243 7.243 7.893 -0.650 17783 756 1 2 . 1 1 40 40 ASN N N 362 116.601 116.601 117.526 -0.925 17783 757 1 2 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.261 -0.116 17783 758 1 2 . 1 1 40 40 ASN C C 362 177.253 177.253 178.295 -1.042 17783 759 1 2 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.186 0.341 17783 760 1 2 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.594 1.732 17783 761 1 2 . 1 1 40 40 ASN H H 362 8.284 8.284 8.428 -0.144 17783 762 1 2 . 1 1 41 41 GLY N N 363 104.958 104.958 107.748 -2.790 17783 763 1 2 . 1 1 41 41 GLY C C 363 176.323 176.323 175.610 0.713 17783 764 1 2 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.988 -0.149 17783 765 1 2 . 1 1 41 41 GLY H H 363 8.334 8.334 7.994 0.340 17783 766 1 2 . 1 1 42 42 TRP N N 364 125.066 125.066 124.421 0.645 17783 767 1 2 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.295 -0.069 17783 768 1 2 . 1 1 42 42 TRP C C 364 176.509 176.509 177.807 -1.298 17783 769 1 2 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.459 1.030 17783 770 1 2 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.397 -1.521 17783 771 1 2 . 1 1 42 42 TRP H H 364 7.833 7.833 7.396 0.437 17783 772 1 2 . 1 1 43 43 ALA N N 365 120.030 120.030 120.184 -0.154 17783 773 1 2 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.353 -0.359 17783 774 1 2 . 1 1 43 43 ALA C C 365 179.186 179.186 179.409 -0.223 17783 775 1 2 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.088 -0.087 17783 776 1 2 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.003 -0.915 17783 777 1 2 . 1 1 43 43 ALA H H 365 7.701 7.701 8.471 -0.770 17783 778 1 2 . 1 1 44 44 LYS N N 366 115.064 115.064 115.724 -0.660 17783 779 1 2 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.091 -0.058 17783 780 1 2 . 1 1 44 44 LYS C C 366 180.830 180.830 178.898 1.932 17783 781 1 2 . 1 1 44 44 LYS CA C 366 58.991 58.991 57.879 1.113 17783 782 1 2 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.333 0.017 17783 783 1 2 . 1 1 44 44 LYS H H 366 7.562 7.562 7.575 -0.013 17783 784 1 2 . 1 1 45 45 LYS N N 367 123.180 123.180 121.040 2.140 17783 785 1 2 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.007 -0.100 17783 786 1 2 . 1 1 45 45 LYS C C 367 178.319 178.319 178.498 -0.179 17783 787 1 2 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.833 0.211 17783 788 1 2 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.193 -0.127 17783 789 1 2 . 1 1 45 45 LYS H H 367 8.067 8.067 7.868 0.199 17783 790 1 2 . 1 1 46 46 GLU N N 368 114.882 114.882 115.493 -0.611 17783 791 1 2 . 1 1 46 46 GLU HA H 368 3.917 3.917 3.986 -0.069 17783 792 1 2 . 1 1 46 46 GLU C C 368 174.639 174.639 175.508 -0.869 17783 793 1 2 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.927 -1.911 17783 794 1 2 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.359 -1.682 17783 795 1 2 . 1 1 46 46 GLU H H 368 7.488 7.488 7.363 0.125 17783 796 1 2 . 1 1 47 47 ASN N N 369 114.944 114.944 115.302 -0.358 17783 797 1 2 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.301 -0.029 17783 798 1 2 . 1 1 47 47 ASN C C 369 174.759 174.759 174.823 -0.064 17783 799 1 2 . 1 1 47 47 ASN CA C 369 53.704 53.704 52.955 0.749 17783 800 1 2 . 1 1 47 47 ASN CB C 369 37.059 37.059 37.394 -0.335 17783 801 1 2 . 1 1 47 47 ASN H H 369 7.772 7.772 7.314 0.458 17783 802 1 2 . 1 1 48 48 LEU N N 370 116.008 116.008 118.861 -2.853 17783 803 1 2 . 1 1 48 48 LEU HA H 370 4.120 4.120 4.035 0.085 17783 804 1 2 . 1 1 48 48 LEU C C 370 177.056 177.056 176.630 0.426 17783 805 1 2 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.306 -0.188 17783 806 1 2 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.330 0.588 17783 807 1 2 . 1 1 48 48 LEU H H 370 7.463 7.463 7.162 0.301 17783 808 1 2 . 1 1 49 49 LYS N N 371 120.012 120.012 122.612 -2.600 17783 809 1 2 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.345 0.215 17783 810 1 2 . 1 1 49 49 LYS C C 371 176.481 176.481 176.583 -0.102 17783 811 1 2 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.938 -0.609 17783 812 1 2 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.079 1.476 17783 813 1 2 . 1 1 49 49 LYS H H 371 8.518 8.518 8.084 0.434 17783 814 1 2 . 1 1 50 50 ASN N N 372 117.610 117.610 119.906 -2.296 17783 815 1 2 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.406 0.108 17783 816 1 2 . 1 1 50 50 ASN C C 372 173.445 173.445 173.251 0.194 17783 817 1 2 . 1 1 50 50 ASN CA C 372 53.437 53.437 53.670 -0.233 17783 818 1 2 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.656 -0.724 17783 819 1 2 . 1 1 50 50 ASN H H 372 8.734 8.734 8.848 -0.114 17783 820 1 2 . 1 1 51 51 TYR N N 373 117.151 117.151 118.179 -1.028 17783 821 1 2 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.048 0.347 17783 822 1 2 . 1 1 51 51 TYR C C 373 173.549 173.549 174.023 -0.474 17783 823 1 2 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.756 -0.974 17783 824 1 2 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.189 0.222 17783 825 1 2 . 1 1 51 51 TYR H H 373 7.570 7.570 7.613 -0.043 17783 826 1 2 . 1 1 52 52 VAL N N 374 120.887 120.887 121.965 -1.078 17783 827 1 2 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.248 0.050 17783 828 1 2 . 1 1 52 52 VAL C C 374 174.289 174.289 175.063 -0.774 17783 829 1 2 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.807 -0.093 17783 830 1 2 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.920 1.664 17783 831 1 2 . 1 1 52 52 VAL H H 374 9.140 9.140 8.695 0.445 17783 832 1 2 . 1 1 53 53 VAL N N 375 126.060 126.060 127.236 -1.176 17783 833 1 2 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.272 1.143 17783 834 1 2 . 1 1 53 53 VAL C C 375 175.803 175.803 175.810 -0.007 17783 835 1 2 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.623 -1.967 17783 836 1 2 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.766 0.970 17783 837 1 2 . 1 1 53 53 VAL H H 375 8.600 8.600 8.451 0.149 17783 838 1 2 . 1 1 54 54 TYR N N 376 125.706 125.706 124.620 1.086 17783 839 1 2 . 1 1 54 54 TYR HA H 376 5.422 5.422 4.874 0.548 17783 840 1 2 . 1 1 54 54 TYR C C 376 172.139 172.139 173.376 -1.237 17783 841 1 2 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.672 -0.543 17783 842 1 2 . 1 1 54 54 TYR CB C 376 41.657 41.657 39.828 1.829 17783 843 1 2 . 1 1 54 54 TYR H H 376 9.292 9.292 8.160 1.132 17783 844 1 2 . 1 1 55 55 GLU N N 377 122.063 122.063 120.258 1.805 17783 845 1 2 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.123 0.591 17783 846 1 2 . 1 1 55 55 GLU C C 377 175.011 175.011 175.512 -0.501 17783 847 1 2 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.508 -0.365 17783 848 1 2 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.452 2.207 17783 849 1 2 . 1 1 55 55 GLU H H 377 8.758 8.758 8.710 0.048 17783 850 1 2 . 1 1 56 56 THR N N 378 122.855 122.855 120.587 2.268 17783 851 1 2 . 1 1 56 56 THR HA H 378 4.848 4.848 4.575 0.273 17783 852 1 2 . 1 1 56 56 THR C C 378 173.550 173.550 172.919 0.631 17783 853 1 2 . 1 1 56 56 THR CA C 378 58.732 58.732 60.412 -1.680 17783 854 1 2 . 1 1 56 56 THR CB C 378 70.181 70.181 71.259 -1.078 17783 855 1 2 . 1 1 56 56 THR H H 378 9.160 9.160 7.652 1.508 17783 856 1 2 . 1 1 57 57 THR N N 379 116.629 116.629 113.127 3.502 17783 857 1 2 . 1 1 57 57 THR HA H 379 5.145 5.145 4.550 0.595 17783 858 1 2 . 1 1 57 57 THR C C 379 173.973 173.973 173.507 0.466 17783 859 1 2 . 1 1 57 57 THR CA C 379 60.517 60.517 60.157 0.360 17783 860 1 2 . 1 1 57 57 THR CB C 379 71.582 71.582 70.679 0.903 17783 861 1 2 . 1 1 57 57 THR H H 379 8.677 8.677 8.386 0.291 17783 862 1 2 . 1 1 58 58 ARG N N 380 124.546 124.546 126.374 -1.828 17783 863 1 2 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.519 -0.211 17783 864 1 2 . 1 1 58 58 ARG C C 380 176.074 176.074 174.214 1.860 17783 865 1 2 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.781 -1.271 17783 866 1 2 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.204 1.269 17783 867 1 2 . 1 1 58 58 ARG H H 380 9.117 9.117 8.451 0.666 17783 868 1 2 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.475 -0.169 17783 869 1 2 . 1 1 59 59 ASN C C 381 175.444 175.444 175.363 0.081 17783 870 1 2 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.617 0.620 17783 871 1 2 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.232 -0.019 17783 872 1 2 . 1 1 60 60 GLY N N 382 103.015 103.015 105.466 -2.451 17783 873 1 2 . 1 1 60 60 GLY C C 382 173.488 173.488 173.924 -0.436 17783 874 1 2 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.408 -0.935 17783 875 1 2 . 1 1 60 60 GLY H H 382 8.639 8.639 8.642 -0.003 17783 876 1 2 . 1 1 61 61 GLN N N 383 119.903 119.903 118.662 1.241 17783 877 1 2 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.651 0.349 17783 878 1 2 . 1 1 61 61 GLN C C 383 172.730 172.730 173.476 -0.746 17783 879 1 2 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.717 -0.026 17783 880 1 2 . 1 1 61 61 GLN CB C 383 30.711 30.711 29.852 0.859 17783 881 1 2 . 1 1 61 61 GLN H H 383 7.697 7.697 7.714 -0.017 17783 882 1 2 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.489 0.125 17783 883 1 2 . 1 1 62 62 PRO C C 384 175.576 175.576 175.430 0.146 17783 884 1 2 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.883 1.119 17783 885 1 2 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.051 0.494 17783 886 1 2 . 1 1 63 63 TRP N N 385 126.621 126.621 123.592 3.029 17783 887 1 2 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.711 -0.200 17783 888 1 2 . 1 1 63 63 TRP C C 385 172.096 172.096 173.745 -1.649 17783 889 1 2 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.512 0.570 17783 890 1 2 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.812 1.362 17783 891 1 2 . 1 1 63 63 TRP H H 385 8.063 8.063 7.799 0.264 17783 892 1 2 . 1 1 64 64 TYR N N 386 124.129 124.129 124.287 -0.158 17783 893 1 2 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.260 0.958 17783 894 1 2 . 1 1 64 64 TYR C C 386 173.544 173.544 173.989 -0.445 17783 895 1 2 . 1 1 64 64 TYR CA C 386 56.769 56.769 55.858 0.911 17783 896 1 2 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.678 3.755 17783 897 1 2 . 1 1 64 64 TYR H H 386 7.954 7.954 7.896 0.058 17783 898 1 2 . 1 1 65 65 VAL N N 387 121.167 121.167 120.990 0.177 17783 899 1 2 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.131 -0.268 17783 900 1 2 . 1 1 65 65 VAL C C 387 172.675 172.675 174.958 -2.283 17783 901 1 2 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.359 0.898 17783 902 1 2 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.217 0.916 17783 903 1 2 . 1 1 65 65 VAL H H 387 8.409 8.409 6.911 1.498 17783 904 1 2 . 1 1 66 66 LEU N N 388 127.479 127.479 129.779 -2.300 17783 905 1 2 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.809 0.614 17783 906 1 2 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.532 -0.037 17783 907 1 2 . 1 1 66 66 LEU CB C 388 44.755 44.755 41.624 3.131 17783 908 1 2 . 1 1 66 66 LEU H H 388 8.200 8.200 8.422 -0.222 17783 909 1 2 . 1 1 67 67 VAL N N 389 120.778 120.778 118.663 2.115 17783 910 1 2 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.487 1.353 17783 911 1 2 . 1 1 67 67 VAL C C 389 174.934 174.934 175.980 -1.046 17783 912 1 2 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.893 -3.066 17783 913 1 2 . 1 1 67 67 VAL CB C 389 33.693 33.693 32.980 0.714 17783 914 1 2 . 1 1 67 67 VAL H H 389 9.314 9.314 8.150 1.164 17783 915 1 2 . 1 1 68 68 SER N N 390 113.588 113.588 120.371 -6.783 17783 916 1 2 . 1 1 68 68 SER HA H 390 4.850 4.850 4.699 0.151 17783 917 1 2 . 1 1 68 68 SER C C 390 174.691 174.691 175.336 -0.645 17783 918 1 2 . 1 1 68 68 SER CA C 390 58.213 58.213 56.851 1.362 17783 919 1 2 . 1 1 68 68 SER CB C 390 66.007 66.007 62.562 3.445 17783 920 1 2 . 1 1 68 68 SER H H 390 8.803 8.803 8.504 0.299 17783 921 1 2 . 1 1 69 69 GLY N N 391 115.161 115.161 115.982 -0.821 17783 922 1 2 . 1 1 69 69 GLY C C 391 172.208 172.208 172.805 -0.597 17783 923 1 2 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.850 -1.525 17783 924 1 2 . 1 1 69 69 GLY H H 391 8.436 8.436 8.222 0.214 17783 925 1 2 . 1 1 70 70 VAL N N 392 117.033 117.033 117.078 -0.045 17783 926 1 2 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.292 0.188 17783 927 1 2 . 1 1 70 70 VAL C C 392 174.635 174.635 174.304 0.331 17783 928 1 2 . 1 1 70 70 VAL CA C 392 62.203 62.203 60.170 2.033 17783 929 1 2 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.361 -0.124 17783 930 1 2 . 1 1 70 70 VAL H H 392 7.188 7.188 7.589 -0.401 17783 931 1 2 . 1 1 71 71 TYR N N 393 124.867 124.867 123.735 1.132 17783 932 1 2 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.784 0.017 17783 933 1 2 . 1 1 71 71 TYR C C 393 175.550 175.550 176.914 -1.364 17783 934 1 2 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.318 -1.032 17783 935 1 2 . 1 1 71 71 TYR CB C 393 42.543 42.543 40.143 2.400 17783 936 1 2 . 1 1 71 71 TYR H H 393 9.517 9.517 8.333 1.184 17783 937 1 2 . 1 1 72 72 ALA N N 394 124.217 124.217 128.244 -4.027 17783 938 1 2 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.629 -0.858 17783 939 1 2 . 1 1 72 72 ALA C C 394 175.911 175.911 177.050 -1.139 17783 940 1 2 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.974 -1.717 17783 941 1 2 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.867 0.154 17783 942 1 2 . 1 1 72 72 ALA H H 394 8.984 8.984 8.916 0.068 17783 943 1 2 . 1 1 73 73 SER N N 395 106.325 106.325 109.291 -2.966 17783 944 1 2 . 1 1 73 73 SER HA H 395 4.769 4.769 5.136 -0.367 17783 945 1 2 . 1 1 73 73 SER C C 395 173.686 173.686 175.462 -1.776 17783 946 1 2 . 1 1 73 73 SER CA C 395 56.031 56.031 56.098 -0.067 17783 947 1 2 . 1 1 73 73 SER CB C 395 66.773 66.773 65.716 1.057 17783 948 1 2 . 1 1 73 73 SER H H 395 7.251 7.251 7.605 -0.354 17783 949 1 2 . 1 1 74 74 LYS N N 396 123.531 123.531 121.032 2.499 17783 950 1 2 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.480 -0.586 17783 951 1 2 . 1 1 74 74 LYS C C 396 178.040 178.040 177.969 0.071 17783 952 1 2 . 1 1 74 74 LYS CA C 396 59.543 59.543 59.150 0.393 17783 953 1 2 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.550 0.086 17783 954 1 2 . 1 1 74 74 LYS H H 396 8.742 8.742 8.395 0.347 17783 955 1 2 . 1 1 75 75 GLU N N 397 118.740 118.740 118.283 0.457 17783 956 1 2 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.858 -0.044 17783 957 1 2 . 1 1 75 75 GLU C C 397 179.136 179.136 179.333 -0.197 17783 958 1 2 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.194 0.882 17783 959 1 2 . 1 1 75 75 GLU CB C 397 28.748 28.748 28.685 0.063 17783 960 1 2 . 1 1 75 75 GLU H H 397 8.529 8.529 7.999 0.530 17783 961 1 2 . 1 1 76 76 GLU N N 398 119.987 119.987 119.007 0.980 17783 962 1 2 . 1 1 76 76 GLU HA H 398 3.835 3.835 3.998 -0.163 17783 963 1 2 . 1 1 76 76 GLU C C 398 178.564 178.564 177.754 0.810 17783 964 1 2 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.490 0.872 17783 965 1 2 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.089 1.342 17783 966 1 2 . 1 1 76 76 GLU H H 398 7.804 7.804 8.379 -0.575 17783 967 1 2 . 1 1 77 77 ALA N N 399 122.630 122.630 119.054 3.576 17783 968 1 2 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.160 -0.572 17783 969 1 2 . 1 1 77 77 ALA C C 399 177.764 177.764 178.084 -0.320 17783 970 1 2 . 1 1 77 77 ALA CA C 399 54.361 54.361 53.670 0.690 17783 971 1 2 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.723 -1.058 17783 972 1 2 . 1 1 77 77 ALA H H 399 7.294 7.294 7.331 -0.037 17783 973 1 2 . 1 1 78 78 LYS N N 400 115.403 115.403 119.329 -3.926 17783 974 1 2 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.973 -0.203 17783 975 1 2 . 1 1 78 78 LYS C C 400 180.700 180.700 178.848 1.852 17783 976 1 2 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.103 0.439 17783 977 1 2 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.343 -0.510 17783 978 1 2 . 1 1 78 78 LYS H H 400 8.001 8.001 8.029 -0.028 17783 979 1 2 . 1 1 79 79 LYS N N 401 119.756 119.756 119.254 0.502 17783 980 1 2 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.014 -0.045 17783 981 1 2 . 1 1 79 79 LYS C C 401 178.347 178.347 178.433 -0.086 17783 982 1 2 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.516 0.460 17783 983 1 2 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.951 0.347 17783 984 1 2 . 1 1 79 79 LYS H H 401 7.788 7.788 7.556 0.232 17783 985 1 2 . 1 1 80 80 ALA N N 402 120.725 120.725 121.347 -0.622 17783 986 1 2 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.073 0.070 17783 987 1 2 . 1 1 80 80 ALA C C 402 180.118 180.118 179.263 0.855 17783 988 1 2 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.425 -0.653 17783 989 1 2 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.786 0.683 17783 990 1 2 . 1 1 80 80 ALA H H 402 7.334 7.334 7.461 -0.127 17783 991 1 2 . 1 1 81 81 VAL N N 403 120.431 120.431 119.156 1.275 17783 992 1 2 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.607 -0.245 17783 993 1 2 . 1 1 81 81 VAL C C 403 177.205 177.205 178.465 -1.260 17783 994 1 2 . 1 1 81 81 VAL CA C 403 66.728 66.728 66.487 0.241 17783 995 1 2 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.160 0.574 17783 996 1 2 . 1 1 81 81 VAL H H 403 7.480 7.480 7.991 -0.511 17783 997 1 2 . 1 1 82 82 SER N N 404 110.126 110.126 113.917 -3.791 17783 998 1 2 . 1 1 82 82 SER HA H 404 4.143 4.143 4.088 0.055 17783 999 1 2 . 1 1 82 82 SER C C 404 174.813 174.813 175.810 -0.997 17783 1000 1 2 . 1 1 82 82 SER CA C 404 60.751 60.751 61.470 -0.719 17783 1001 1 2 . 1 1 82 82 SER CB C 404 63.287 63.287 62.824 0.463 17783 1002 1 2 . 1 1 82 82 SER H H 404 7.326 7.326 8.641 -1.315 17783 1003 1 2 . 1 1 83 83 THR N N 405 110.438 110.438 113.523 -3.085 17783 1004 1 2 . 1 1 83 83 THR HA H 405 4.461 4.461 4.068 0.393 17783 1005 1 2 . 1 1 83 83 THR C C 405 175.081 175.081 175.694 -0.613 17783 1006 1 2 . 1 1 83 83 THR CA C 405 61.761 61.761 64.322 -2.561 17783 1007 1 2 . 1 1 83 83 THR CB C 405 69.795 69.795 68.947 0.848 17783 1008 1 2 . 1 1 83 83 THR H H 405 7.634 7.634 7.600 0.034 17783 1009 1 2 . 1 1 84 84 LEU N N 406 123.244 123.244 123.247 -0.003 17783 1010 1 2 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.604 0.036 17783 1011 1 2 . 1 1 84 84 LEU C C 406 174.599 174.599 175.154 -0.555 17783 1012 1 2 . 1 1 84 84 LEU CA C 406 53.295 53.295 53.068 0.227 17783 1013 1 2 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.339 -0.630 17783 1014 1 2 . 1 1 84 84 LEU H H 406 7.478 7.478 7.836 -0.358 17783 1015 1 2 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.536 -0.043 17783 1016 1 2 . 1 1 85 85 PRO C C 407 177.743 177.743 177.423 0.320 17783 1017 1 2 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.284 0.860 17783 1018 1 2 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.583 0.338 17783 1019 1 2 . 1 1 86 86 ALA N N 408 128.809 128.809 122.865 5.944 17783 1020 1 2 . 1 1 86 86 ALA HA H 408 3.946 3.946 3.999 -0.053 17783 1021 1 2 . 1 1 86 86 ALA C C 408 180.517 180.517 179.360 1.157 17783 1022 1 2 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.690 0.815 17783 1023 1 2 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.160 0.185 17783 1024 1 2 . 1 1 86 86 ALA H H 408 9.168 9.168 8.591 0.577 17783 1025 1 2 . 1 1 87 87 ASP N N 409 116.520 116.520 118.825 -2.305 17783 1026 1 2 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.412 0.050 17783 1027 1 2 . 1 1 87 87 ASP C C 409 178.081 178.081 178.548 -0.467 17783 1028 1 2 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.227 -0.292 17783 1029 1 2 . 1 1 87 87 ASP CB C 409 40.359 40.359 39.912 0.447 17783 1030 1 2 . 1 1 87 87 ASP H H 409 9.359 9.359 8.656 0.703 17783 1031 1 2 . 1 1 88 88 VAL N N 410 117.452 117.452 118.127 -0.675 17783 1032 1 2 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.086 0.003 17783 1033 1 2 . 1 1 88 88 VAL C C 410 178.675 178.675 178.238 0.437 17783 1034 1 2 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.275 -0.399 17783 1035 1 2 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.055 -0.770 17783 1036 1 2 . 1 1 88 88 VAL H H 410 7.355 7.355 8.110 -0.755 17783 1037 1 2 . 1 1 89 89 GLN N N 411 119.387 119.387 119.541 -0.154 17783 1038 1 2 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.193 -0.549 17783 1039 1 2 . 1 1 89 89 GLN C C 411 179.168 179.168 177.646 1.522 17783 1040 1 2 . 1 1 89 89 GLN CA C 411 60.712 60.712 57.803 2.909 17783 1041 1 2 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.289 0.221 17783 1042 1 2 . 1 1 89 89 GLN H H 411 8.271 8.271 8.255 0.016 17783 1043 1 2 . 1 1 90 90 ALA N N 412 118.634 118.634 122.509 -3.875 17783 1044 1 2 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.285 -0.020 17783 1045 1 2 . 1 1 90 90 ALA C C 412 177.949 177.949 178.335 -0.386 17783 1046 1 2 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.103 -0.162 17783 1047 1 2 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.559 -0.232 17783 1048 1 2 . 1 1 90 90 ALA H H 412 7.794 7.794 8.266 -0.472 17783 1049 1 2 . 1 1 91 91 LYS N N 413 115.842 115.842 115.742 0.100 17783 1050 1 2 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.213 0.119 17783 1051 1 2 . 1 1 91 91 LYS C C 413 175.829 175.829 176.033 -0.204 17783 1052 1 2 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.242 0.128 17783 1053 1 2 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.530 -0.046 17783 1054 1 2 . 1 1 91 91 LYS H H 413 7.398 7.398 7.490 -0.092 17783 1055 1 2 . 1 1 92 92 ASN N N 414 113.776 113.776 116.806 -3.030 17783 1056 1 2 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.546 -0.010 17783 1057 1 2 . 1 1 92 92 ASN C C 414 171.075 171.075 173.466 -2.391 17783 1058 1 2 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.381 0.682 17783 1059 1 2 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.546 0.535 17783 1060 1 2 . 1 1 92 92 ASN H H 414 8.178 8.178 7.612 0.566 17783 1061 1 2 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.451 0.551 17783 1062 1 2 . 1 1 93 93 PRO C C 415 175.682 175.682 175.731 -0.049 17783 1063 1 2 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.308 0.182 17783 1064 1 2 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.324 1.261 17783 1065 1 2 . 1 1 94 94 TRP N N 416 117.925 117.925 121.103 -3.178 17783 1066 1 2 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.959 0.058 17783 1067 1 2 . 1 1 94 94 TRP C C 416 173.607 173.607 174.508 -0.901 17783 1068 1 2 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.705 -0.710 17783 1069 1 2 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.996 1.511 17783 1070 1 2 . 1 1 94 94 TRP H H 416 7.921 7.921 8.290 -0.369 17783 1071 1 2 . 1 1 95 95 ALA N N 417 123.924 123.924 126.558 -2.634 17783 1072 1 2 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.061 0.694 17783 1073 1 2 . 1 1 95 95 ALA C C 417 174.171 174.171 176.597 -2.426 17783 1074 1 2 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.659 -1.022 17783 1075 1 2 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.187 0.281 17783 1076 1 2 . 1 1 95 95 ALA H H 417 8.878 8.878 8.507 0.371 17783 1077 1 2 . 1 1 96 96 LYS N N 418 129.441 129.441 120.514 8.927 17783 1078 1 2 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.337 0.684 17783 1079 1 2 . 1 1 96 96 LYS C C 418 173.451 173.451 173.503 -0.052 17783 1080 1 2 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.412 -0.848 17783 1081 1 2 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.025 4.958 17783 1082 1 2 . 1 1 96 96 LYS H H 418 9.235 9.235 8.215 1.020 17783 1083 1 2 . 1 1 97 97 PRO HA H 419 3.764 3.764 3.985 -0.221 17783 1084 1 2 . 1 1 97 97 PRO C C 419 178.893 178.893 177.967 0.926 17783 1085 1 2 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.210 0.685 17783 1086 1 2 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.317 0.403 17783 1087 1 2 . 1 1 98 98 LEU N N 420 126.746 126.746 120.303 6.443 17783 1088 1 2 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.104 -0.301 17783 1089 1 2 . 1 1 98 98 LEU C C 420 179.040 179.040 177.901 1.139 17783 1090 1 2 . 1 1 98 98 LEU CA C 420 57.368 57.368 55.947 1.421 17783 1091 1 2 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.067 -1.126 17783 1092 1 2 . 1 1 98 98 LEU H H 420 9.179 9.179 8.321 0.858 17783 1093 1 2 . 1 1 99 99 ARG N N 421 118.262 118.262 116.653 1.609 17783 1094 1 2 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.167 -0.108 17783 1095 1 2 . 1 1 99 99 ARG C C 421 178.140 178.140 176.855 1.285 17783 1096 1 2 . 1 1 99 99 ARG CA C 421 59.093 59.093 57.139 1.954 17783 1097 1 2 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.841 0.115 17783 1098 1 2 . 1 1 99 99 ARG H H 421 8.014 8.014 7.874 0.140 17783 1099 1 2 . 1 1 100 100 GLN N N 422 116.539 116.539 119.339 -2.800 17783 1100 1 2 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.293 -0.083 17783 1101 1 2 . 1 1 100 100 GLN C C 422 177.594 177.594 177.778 -0.184 17783 1102 1 2 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.268 -0.535 17783 1103 1 2 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.897 -0.719 17783 1104 1 2 . 1 1 100 100 GLN H H 422 7.258 7.258 7.676 -0.418 17783 1105 1 2 . 1 1 101 101 VAL N N 423 119.665 119.665 118.145 1.520 17783 1106 1 2 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.961 -0.413 17783 1107 1 2 . 1 1 101 101 VAL C C 423 177.040 177.040 177.339 -0.299 17783 1108 1 2 . 1 1 101 101 VAL CA C 423 65.447 65.447 64.082 1.365 17783 1109 1 2 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.076 1.477 17783 1110 1 2 . 1 1 101 101 VAL H H 423 7.090 7.090 7.759 -0.669 17783 1111 1 2 . 1 1 102 102 GLN N N 424 115.032 115.032 117.304 -2.272 17783 1112 1 2 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.948 -0.383 17783 1113 1 2 . 1 1 102 102 GLN C C 424 177.994 177.994 176.701 1.293 17783 1114 1 2 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.197 0.686 17783 1115 1 2 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.282 -0.222 17783 1116 1 2 . 1 1 102 102 GLN H H 424 8.553 8.553 8.428 0.125 17783 1117 1 2 . 1 1 103 103 ALA N N 425 120.742 120.742 121.626 -0.884 17783 1118 1 2 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.090 0.068 17783 1119 1 2 . 1 1 103 103 ALA C C 425 178.545 178.545 179.306 -0.761 17783 1120 1 2 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.965 -0.690 17783 1121 1 2 . 1 1 103 103 ALA CB C 425 18.322 18.322 19.061 -0.739 17783 1122 1 2 . 1 1 103 103 ALA H H 425 7.366 7.366 7.285 0.081 17783 1123 1 2 . 1 1 104 104 ASP N N 426 117.066 117.066 118.509 -1.443 17783 1124 1 2 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.394 0.314 17783 1125 1 2 . 1 1 104 104 ASP C C 426 176.876 176.876 176.484 0.392 17783 1126 1 2 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.522 -0.299 17783 1127 1 2 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.374 2.126 17783 1128 1 2 . 1 1 104 104 ASP H H 426 7.628 7.628 8.542 -0.914 17783 1129 1 2 . 1 1 105 105 LEU N N 427 119.853 119.853 122.158 -2.305 17783 1130 1 2 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.376 -0.077 17783 1131 1 2 . 1 1 105 105 LEU C C 427 176.118 176.118 175.638 0.480 17783 1132 1 2 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.172 -0.186 17783 1133 1 2 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.331 -0.253 17783 1134 1 2 . 1 1 105 105 LEU H H 427 7.242 7.242 7.749 -0.507 17783 1135 1 3 . 1 1 2 2 ARG N N 324 121.883 121.883 124.330 -2.447 17783 1136 1 3 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.432 -0.088 17783 1137 1 3 . 1 1 2 2 ARG C C 324 176.887 176.887 175.644 1.243 17783 1138 1 3 . 1 1 2 2 ARG CA C 324 56.505 56.505 55.708 0.797 17783 1139 1 3 . 1 1 2 2 ARG CB C 324 30.734 30.734 28.105 2.629 17783 1140 1 3 . 1 1 2 2 ARG H H 324 8.373 8.373 8.445 -0.072 17783 1141 1 3 . 1 1 3 3 GLY N N 325 111.231 111.231 108.947 2.284 17783 1142 1 3 . 1 1 3 3 GLY C C 325 174.037 174.037 173.806 0.231 17783 1143 1 3 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.061 0.167 17783 1144 1 3 . 1 1 3 3 GLY H H 325 8.683 8.683 8.293 0.390 17783 1145 1 3 . 1 1 4 4 SER N N 326 115.541 115.541 119.721 -4.180 17783 1146 1 3 . 1 1 4 4 SER HA H 326 4.377 4.377 4.144 0.233 17783 1147 1 3 . 1 1 4 4 SER C C 326 174.454 174.454 174.240 0.214 17783 1148 1 3 . 1 1 4 4 SER CA C 326 58.315 58.315 58.273 0.042 17783 1149 1 3 . 1 1 4 4 SER CB C 326 63.902 63.902 63.677 0.225 17783 1150 1 3 . 1 1 4 4 SER H H 326 8.237 8.237 7.992 0.245 17783 1151 1 3 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.283 0.297 17783 1152 1 3 . 1 1 10 10 HIS C C 332 175.292 175.292 176.714 -1.422 17783 1153 1 3 . 1 1 10 10 HIS CA C 332 55.946 55.946 55.341 0.605 17783 1154 1 3 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.253 0.870 17783 1155 1 3 . 1 1 11 11 GLY N N 333 110.527 110.527 109.568 0.959 17783 1156 1 3 . 1 1 11 11 GLY C C 333 174.126 174.126 174.334 -0.208 17783 1157 1 3 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.414 -0.087 17783 1158 1 3 . 1 1 11 11 GLY H H 333 8.540 8.540 8.001 0.539 17783 1159 1 3 . 1 1 12 12 SER N N 334 115.752 115.752 117.379 -1.627 17783 1160 1 3 . 1 1 12 12 SER HA H 334 4.436 4.436 3.935 0.501 17783 1161 1 3 . 1 1 12 12 SER C C 334 174.538 174.538 173.699 0.839 17783 1162 1 3 . 1 1 12 12 SER CA C 334 58.486 58.486 58.158 0.328 17783 1163 1 3 . 1 1 12 12 SER CB C 334 63.927 63.927 61.437 2.490 17783 1164 1 3 . 1 1 12 12 SER H H 334 8.356 8.356 8.303 0.053 17783 1165 1 3 . 1 1 13 13 ASN N N 335 120.410 120.410 119.673 0.737 17783 1166 1 3 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.646 0.083 17783 1167 1 3 . 1 1 13 13 ASN C C 335 175.116 175.116 175.676 -0.560 17783 1168 1 3 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.149 0.237 17783 1169 1 3 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.335 -0.667 17783 1170 1 3 . 1 1 13 13 ASN H H 335 8.575 8.575 8.135 0.440 17783 1171 1 3 . 1 1 14 14 ASN N N 336 119.094 119.094 120.980 -1.886 17783 1172 1 3 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.592 0.137 17783 1173 1 3 . 1 1 14 14 ASN C C 336 175.395 175.395 174.259 1.136 17783 1174 1 3 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.842 -0.457 17783 1175 1 3 . 1 1 14 14 ASN CB C 336 38.669 38.669 39.177 -0.508 17783 1176 1 3 . 1 1 14 14 ASN H H 336 8.447 8.447 8.746 -0.299 17783 1177 1 3 . 1 1 15 15 ASN N N 337 118.915 118.915 117.611 1.304 17783 1178 1 3 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.831 -0.297 17783 1179 1 3 . 1 1 15 15 ASN C C 337 176.390 176.390 174.310 2.080 17783 1180 1 3 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.282 0.709 17783 1181 1 3 . 1 1 15 15 ASN CB C 337 38.621 38.621 41.206 -2.585 17783 1182 1 3 . 1 1 15 15 ASN H H 337 8.446 8.446 7.924 0.522 17783 1183 1 3 . 1 1 16 16 GLY N N 338 108.851 108.851 110.071 -1.220 17783 1184 1 3 . 1 1 16 16 GLY C C 338 175.459 175.459 175.364 0.095 17783 1185 1 3 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.710 1.042 17783 1186 1 3 . 1 1 16 16 GLY H H 338 8.454 8.454 8.235 0.219 17783 1187 1 3 . 1 1 17 17 SER N N 339 116.218 116.218 117.761 -1.543 17783 1188 1 3 . 1 1 17 17 SER HA H 339 4.229 4.229 4.536 -0.307 17783 1189 1 3 . 1 1 17 17 SER C C 339 175.869 175.869 176.009 -0.140 17783 1190 1 3 . 1 1 17 17 SER CA C 339 59.759 59.759 58.114 1.645 17783 1191 1 3 . 1 1 17 17 SER CB C 339 62.973 62.973 62.903 0.070 17783 1192 1 3 . 1 1 17 17 SER H H 339 8.170 8.170 8.417 -0.247 17783 1193 1 3 . 1 1 18 18 LEU N N 340 121.515 121.515 123.436 -1.921 17783 1194 1 3 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.019 -0.017 17783 1195 1 3 . 1 1 18 18 LEU C C 340 178.399 178.399 177.071 1.328 17783 1196 1 3 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.279 -0.128 17783 1197 1 3 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.950 0.126 17783 1198 1 3 . 1 1 18 18 LEU H H 340 7.790 7.790 7.772 0.018 17783 1199 1 3 . 1 1 19 19 LYS N N 341 117.145 117.145 116.069 1.076 17783 1200 1 3 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.120 -0.312 17783 1201 1 3 . 1 1 19 19 LYS C C 341 176.960 176.960 178.124 -1.164 17783 1202 1 3 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.309 0.883 17783 1203 1 3 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.563 0.230 17783 1204 1 3 . 1 1 19 19 LYS H H 341 7.893 7.893 7.647 0.246 17783 1205 1 3 . 1 1 20 20 SER N N 342 110.377 110.377 115.281 -4.904 17783 1206 1 3 . 1 1 20 20 SER HA H 342 4.369 4.369 4.381 -0.012 17783 1207 1 3 . 1 1 20 20 SER C C 342 173.735 173.735 173.227 0.508 17783 1208 1 3 . 1 1 20 20 SER CA C 342 58.141 58.141 57.812 0.329 17783 1209 1 3 . 1 1 20 20 SER CB C 342 63.900 63.900 61.647 2.253 17783 1210 1 3 . 1 1 20 20 SER H H 342 7.546 7.546 8.130 -0.584 17783 1211 1 3 . 1 1 21 21 ALA N N 343 125.662 125.662 124.671 0.991 17783 1212 1 3 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.636 -0.274 17783 1213 1 3 . 1 1 21 21 ALA C C 343 174.051 174.051 174.675 -0.624 17783 1214 1 3 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.648 0.924 17783 1215 1 3 . 1 1 21 21 ALA CB C 343 18.134 18.134 20.273 -2.139 17783 1216 1 3 . 1 1 21 21 ALA H H 343 6.852 6.852 7.692 -0.840 17783 1217 1 3 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.389 -0.151 17783 1218 1 3 . 1 1 22 22 PRO C C 344 178.184 178.184 176.154 2.030 17783 1219 1 3 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.760 0.322 17783 1220 1 3 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.712 0.892 17783 1221 1 3 . 1 1 23 23 SER N N 345 118.662 118.662 117.615 1.047 17783 1222 1 3 . 1 1 23 23 SER HA H 345 3.825 3.825 4.279 -0.454 17783 1223 1 3 . 1 1 23 23 SER C C 345 174.231 174.231 176.369 -2.138 17783 1224 1 3 . 1 1 23 23 SER CA C 345 60.892 60.892 59.688 1.204 17783 1225 1 3 . 1 1 23 23 SER CB C 345 63.223 63.223 63.699 -0.476 17783 1226 1 3 . 1 1 23 23 SER H H 345 8.566 8.566 8.133 0.433 17783 1227 1 3 . 1 1 24 24 SER N N 346 111.938 111.938 118.405 -6.467 17783 1228 1 3 . 1 1 24 24 SER HA H 346 4.383 4.383 4.332 0.051 17783 1229 1 3 . 1 1 24 24 SER C C 346 175.152 175.152 174.426 0.726 17783 1230 1 3 . 1 1 24 24 SER CA C 346 58.247 58.247 60.221 -1.974 17783 1231 1 3 . 1 1 24 24 SER CB C 346 63.958 63.958 63.420 0.538 17783 1232 1 3 . 1 1 24 24 SER H H 346 7.675 7.675 8.595 -0.920 17783 1233 1 3 . 1 1 25 25 HIS N N 347 122.882 122.882 118.074 4.808 17783 1234 1 3 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.647 0.203 17783 1235 1 3 . 1 1 25 25 HIS C C 347 173.574 173.574 174.664 -1.090 17783 1236 1 3 . 1 1 25 25 HIS CA C 347 56.075 56.075 56.416 -0.341 17783 1237 1 3 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.744 1.104 17783 1238 1 3 . 1 1 25 25 HIS H H 347 7.628 7.628 7.758 -0.130 17783 1239 1 3 . 1 1 26 26 TYR N N 348 117.921 117.921 120.982 -3.061 17783 1240 1 3 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.717 0.272 17783 1241 1 3 . 1 1 26 26 TYR C C 348 174.086 174.086 174.583 -0.497 17783 1242 1 3 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.880 0.307 17783 1243 1 3 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.356 1.478 17783 1244 1 3 . 1 1 26 26 TYR H H 348 9.606 9.606 8.300 1.306 17783 1245 1 3 . 1 1 27 27 THR N N 349 115.914 115.914 115.538 0.376 17783 1246 1 3 . 1 1 27 27 THR HA H 349 5.027 5.027 4.806 0.221 17783 1247 1 3 . 1 1 27 27 THR C C 349 172.904 172.904 173.501 -0.597 17783 1248 1 3 . 1 1 27 27 THR CA C 349 58.835 58.835 62.001 -3.166 17783 1249 1 3 . 1 1 27 27 THR CB C 349 70.587 70.587 70.239 0.348 17783 1250 1 3 . 1 1 27 27 THR H H 349 8.974 8.974 8.380 0.594 17783 1251 1 3 . 1 1 28 28 LEU N N 350 123.392 123.392 125.114 -1.722 17783 1252 1 3 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.175 0.814 17783 1253 1 3 . 1 1 28 28 LEU C C 350 176.111 176.111 176.382 -0.271 17783 1254 1 3 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.849 -2.752 17783 1255 1 3 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.116 2.754 17783 1256 1 3 . 1 1 28 28 LEU H H 350 8.249 8.249 8.506 -0.257 17783 1257 1 3 . 1 1 29 29 GLN N N 351 122.797 122.797 116.571 6.226 17783 1258 1 3 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.539 0.014 17783 1259 1 3 . 1 1 29 29 GLN C C 351 175.435 175.435 175.672 -0.237 17783 1260 1 3 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.118 1.825 17783 1261 1 3 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.971 -3.740 17783 1262 1 3 . 1 1 29 29 GLN H H 351 8.915 8.915 7.941 0.974 17783 1263 1 3 . 1 1 30 30 LEU N N 352 125.239 125.239 126.761 -1.522 17783 1264 1 3 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.434 -0.067 17783 1265 1 3 . 1 1 30 30 LEU C C 352 177.250 177.250 176.273 0.977 17783 1266 1 3 . 1 1 30 30 LEU CA C 352 56.101 56.101 57.084 -0.983 17783 1267 1 3 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.005 0.094 17783 1268 1 3 . 1 1 30 30 LEU H H 352 8.920 8.920 8.376 0.544 17783 1269 1 3 . 1 1 31 31 SER N N 353 106.816 106.816 107.485 -0.669 17783 1270 1 3 . 1 1 31 31 SER HA H 353 4.493 4.493 4.564 -0.071 17783 1271 1 3 . 1 1 31 31 SER C C 353 171.831 171.831 172.383 -0.552 17783 1272 1 3 . 1 1 31 31 SER CA C 353 57.160 57.160 58.037 -0.877 17783 1273 1 3 . 1 1 31 31 SER CB C 353 64.360 64.360 63.999 0.360 17783 1274 1 3 . 1 1 31 31 SER H H 353 7.548 7.548 7.981 -0.433 17783 1275 1 3 . 1 1 32 32 SER N N 354 113.518 113.518 114.924 -1.406 17783 1276 1 3 . 1 1 32 32 SER HA H 354 5.026 5.026 4.346 0.680 17783 1277 1 3 . 1 1 32 32 SER C C 354 172.512 172.512 171.747 0.765 17783 1278 1 3 . 1 1 32 32 SER CA C 354 57.285 57.285 56.174 1.111 17783 1279 1 3 . 1 1 32 32 SER CB C 354 65.347 65.347 64.443 0.904 17783 1280 1 3 . 1 1 32 32 SER H H 354 8.127 8.127 7.922 0.205 17783 1281 1 3 . 1 1 33 33 SER N N 355 114.624 114.624 115.441 -0.817 17783 1282 1 3 . 1 1 33 33 SER HA H 355 4.106 4.106 4.197 -0.091 17783 1283 1 3 . 1 1 33 33 SER C C 355 171.639 171.639 171.570 0.069 17783 1284 1 3 . 1 1 33 33 SER CA C 355 57.276 57.276 57.381 -0.105 17783 1285 1 3 . 1 1 33 33 SER CB C 355 64.539 64.539 63.593 0.946 17783 1286 1 3 . 1 1 33 33 SER H H 355 8.616 8.616 5.996 2.620 17783 1287 1 3 . 1 1 34 34 SER N N 356 116.467 116.467 115.671 0.796 17783 1288 1 3 . 1 1 34 34 SER HA H 356 4.241 4.241 5.032 -0.791 17783 1289 1 3 . 1 1 34 34 SER C C 356 173.820 173.820 173.384 0.436 17783 1290 1 3 . 1 1 34 34 SER CA C 356 59.074 59.074 58.172 0.902 17783 1291 1 3 . 1 1 34 34 SER CB C 356 63.741 63.741 63.830 -0.089 17783 1292 1 3 . 1 1 34 34 SER H H 356 8.132 8.132 8.357 -0.225 17783 1293 1 3 . 1 1 35 35 ASN N N 357 122.206 122.206 119.774 2.432 17783 1294 1 3 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.171 -0.250 17783 1295 1 3 . 1 1 35 35 ASN C C 357 172.965 172.965 173.968 -1.003 17783 1296 1 3 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.302 -0.855 17783 1297 1 3 . 1 1 35 35 ASN CB C 357 40.925 40.925 41.413 -0.487 17783 1298 1 3 . 1 1 35 35 ASN H H 357 8.511 8.511 8.215 0.296 17783 1299 1 3 . 1 1 36 36 TYR N N 358 127.519 127.519 124.979 2.540 17783 1300 1 3 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.799 -0.827 17783 1301 1 3 . 1 1 36 36 TYR C C 358 176.522 176.522 176.350 0.172 17783 1302 1 3 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.385 -0.416 17783 1303 1 3 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.628 -0.917 17783 1304 1 3 . 1 1 36 36 TYR H H 358 8.002 8.002 8.848 -0.846 17783 1305 1 3 . 1 1 37 37 ASP N N 359 118.658 118.658 119.399 -0.741 17783 1306 1 3 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.297 -0.153 17783 1307 1 3 . 1 1 37 37 ASP C C 359 179.804 179.804 178.311 1.493 17783 1308 1 3 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.295 -0.792 17783 1309 1 3 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.543 -0.365 17783 1310 1 3 . 1 1 37 37 ASP H H 359 8.033 8.033 8.574 -0.541 17783 1311 1 3 . 1 1 38 38 ASN N N 360 119.802 119.802 116.694 3.108 17783 1312 1 3 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.542 -0.239 17783 1313 1 3 . 1 1 38 38 ASN C C 360 177.720 177.720 177.463 0.257 17783 1314 1 3 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.571 -0.121 17783 1315 1 3 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.151 -0.388 17783 1316 1 3 . 1 1 38 38 ASN H H 360 8.380 8.380 8.449 -0.069 17783 1317 1 3 . 1 1 39 39 LEU N N 361 121.625 121.625 121.027 0.598 17783 1318 1 3 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.159 -0.062 17783 1319 1 3 . 1 1 39 39 LEU C C 361 177.738 177.738 178.097 -0.359 17783 1320 1 3 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.391 0.174 17783 1321 1 3 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.722 1.006 17783 1322 1 3 . 1 1 39 39 LEU H H 361 7.243 7.243 7.520 -0.277 17783 1323 1 3 . 1 1 40 40 ASN N N 362 116.601 116.601 117.382 -0.781 17783 1324 1 3 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.254 -0.109 17783 1325 1 3 . 1 1 40 40 ASN C C 362 177.253 177.253 177.787 -0.534 17783 1326 1 3 . 1 1 40 40 ASN CA C 362 56.527 56.527 57.048 -0.521 17783 1327 1 3 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.168 1.158 17783 1328 1 3 . 1 1 40 40 ASN H H 362 8.284 8.284 8.518 -0.234 17783 1329 1 3 . 1 1 41 41 GLY N N 363 104.958 104.958 108.055 -3.097 17783 1330 1 3 . 1 1 41 41 GLY C C 363 176.323 176.323 175.817 0.506 17783 1331 1 3 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.599 0.240 17783 1332 1 3 . 1 1 41 41 GLY H H 363 8.334 8.334 7.634 0.700 17783 1333 1 3 . 1 1 42 42 TRP N N 364 125.066 125.066 124.946 0.120 17783 1334 1 3 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.160 0.066 17783 1335 1 3 . 1 1 42 42 TRP C C 364 176.509 176.509 178.144 -1.635 17783 1336 1 3 . 1 1 42 42 TRP CA C 364 61.489 61.489 62.040 -0.551 17783 1337 1 3 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.068 -1.192 17783 1338 1 3 . 1 1 42 42 TRP H H 364 7.833 7.833 7.650 0.183 17783 1339 1 3 . 1 1 43 43 ALA N N 365 120.030 120.030 120.178 -0.148 17783 1340 1 3 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.394 -0.400 17783 1341 1 3 . 1 1 43 43 ALA C C 365 179.186 179.186 179.585 -0.399 17783 1342 1 3 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.237 -0.236 17783 1343 1 3 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.852 -0.764 17783 1344 1 3 . 1 1 43 43 ALA H H 365 7.701 7.701 8.374 -0.673 17783 1345 1 3 . 1 1 44 44 LYS N N 366 115.064 115.064 116.578 -1.514 17783 1346 1 3 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.952 0.081 17783 1347 1 3 . 1 1 44 44 LYS C C 366 180.830 180.830 179.161 1.669 17783 1348 1 3 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.431 0.560 17783 1349 1 3 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.212 0.138 17783 1350 1 3 . 1 1 44 44 LYS H H 366 7.562 7.562 7.757 -0.195 17783 1351 1 3 . 1 1 45 45 LYS N N 367 123.180 123.180 120.934 2.246 17783 1352 1 3 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.022 -0.115 17783 1353 1 3 . 1 1 45 45 LYS C C 367 178.319 178.319 178.645 -0.326 17783 1354 1 3 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.854 0.190 17783 1355 1 3 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.280 -0.214 17783 1356 1 3 . 1 1 45 45 LYS H H 367 8.067 8.067 8.116 -0.049 17783 1357 1 3 . 1 1 46 46 GLU N N 368 114.882 114.882 115.942 -1.060 17783 1358 1 3 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.012 -0.095 17783 1359 1 3 . 1 1 46 46 GLU C C 368 174.639 174.639 175.234 -0.595 17783 1360 1 3 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.553 -1.537 17783 1361 1 3 . 1 1 46 46 GLU CB C 368 27.677 27.677 28.706 -1.029 17783 1362 1 3 . 1 1 46 46 GLU H H 368 7.488 7.488 7.629 -0.141 17783 1363 1 3 . 1 1 47 47 ASN N N 369 114.944 114.944 113.909 1.035 17783 1364 1 3 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.278 -0.006 17783 1365 1 3 . 1 1 47 47 ASN C C 369 174.759 174.759 174.586 0.173 17783 1366 1 3 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.778 -0.074 17783 1367 1 3 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.691 0.368 17783 1368 1 3 . 1 1 47 47 ASN H H 369 7.772 7.772 7.202 0.570 17783 1369 1 3 . 1 1 48 48 LEU N N 370 116.008 116.008 118.024 -2.016 17783 1370 1 3 . 1 1 48 48 LEU HA H 370 4.120 4.120 4.003 0.117 17783 1371 1 3 . 1 1 48 48 LEU C C 370 177.056 177.056 176.918 0.138 17783 1372 1 3 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.330 -0.212 17783 1373 1 3 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.043 0.874 17783 1374 1 3 . 1 1 48 48 LEU H H 370 7.463 7.463 7.134 0.329 17783 1375 1 3 . 1 1 49 49 LYS N N 371 120.012 120.012 123.187 -3.175 17783 1376 1 3 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.404 0.156 17783 1377 1 3 . 1 1 49 49 LYS C C 371 176.481 176.481 176.565 -0.084 17783 1378 1 3 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.739 -0.410 17783 1379 1 3 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.255 1.300 17783 1380 1 3 . 1 1 49 49 LYS H H 371 8.518 8.518 8.139 0.379 17783 1381 1 3 . 1 1 50 50 ASN N N 372 117.610 117.610 121.421 -3.811 17783 1382 1 3 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.353 0.161 17783 1383 1 3 . 1 1 50 50 ASN C C 372 173.445 173.445 173.342 0.103 17783 1384 1 3 . 1 1 50 50 ASN CA C 372 53.437 53.437 53.810 -0.373 17783 1385 1 3 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.585 -0.653 17783 1386 1 3 . 1 1 50 50 ASN H H 372 8.734 8.734 8.897 -0.163 17783 1387 1 3 . 1 1 51 51 TYR N N 373 117.151 117.151 116.923 0.228 17783 1388 1 3 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.104 0.291 17783 1389 1 3 . 1 1 51 51 TYR C C 373 173.549 173.549 173.932 -0.383 17783 1390 1 3 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.026 -0.244 17783 1391 1 3 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.468 -0.057 17783 1392 1 3 . 1 1 51 51 TYR H H 373 7.570 7.570 7.512 0.058 17783 1393 1 3 . 1 1 52 52 VAL N N 374 120.887 120.887 121.211 -0.324 17783 1394 1 3 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.330 -0.032 17783 1395 1 3 . 1 1 52 52 VAL C C 374 174.289 174.289 174.899 -0.610 17783 1396 1 3 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.844 -0.130 17783 1397 1 3 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.909 1.675 17783 1398 1 3 . 1 1 52 52 VAL H H 374 9.140 9.140 8.808 0.332 17783 1399 1 3 . 1 1 53 53 VAL N N 375 126.060 126.060 125.733 0.327 17783 1400 1 3 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.361 1.054 17783 1401 1 3 . 1 1 53 53 VAL C C 375 175.803 175.803 175.650 0.153 17783 1402 1 3 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.636 -1.980 17783 1403 1 3 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.969 0.767 17783 1404 1 3 . 1 1 53 53 VAL H H 375 8.600 8.600 8.438 0.162 17783 1405 1 3 . 1 1 54 54 TYR N N 376 125.706 125.706 123.284 2.422 17783 1406 1 3 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.013 0.409 17783 1407 1 3 . 1 1 54 54 TYR C C 376 172.139 172.139 173.615 -1.476 17783 1408 1 3 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.555 -0.426 17783 1409 1 3 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.528 1.129 17783 1410 1 3 . 1 1 54 54 TYR H H 376 9.292 9.292 8.202 1.090 17783 1411 1 3 . 1 1 55 55 GLU N N 377 122.063 122.063 119.503 2.560 17783 1412 1 3 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.529 0.185 17783 1413 1 3 . 1 1 55 55 GLU C C 377 175.011 175.011 175.352 -0.341 17783 1414 1 3 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.289 -0.146 17783 1415 1 3 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.930 1.729 17783 1416 1 3 . 1 1 55 55 GLU H H 377 8.758 8.758 8.623 0.135 17783 1417 1 3 . 1 1 56 56 THR N N 378 122.855 122.855 117.413 5.442 17783 1418 1 3 . 1 1 56 56 THR HA H 378 4.848 4.848 4.773 0.075 17783 1419 1 3 . 1 1 56 56 THR C C 378 173.550 173.550 173.546 0.004 17783 1420 1 3 . 1 1 56 56 THR CA C 378 58.732 58.732 60.268 -1.536 17783 1421 1 3 . 1 1 56 56 THR CB C 378 70.181 70.181 72.186 -2.005 17783 1422 1 3 . 1 1 56 56 THR H H 378 9.160 9.160 8.126 1.034 17783 1423 1 3 . 1 1 57 57 THR N N 379 116.629 116.629 113.801 2.828 17783 1424 1 3 . 1 1 57 57 THR HA H 379 5.145 5.145 4.589 0.556 17783 1425 1 3 . 1 1 57 57 THR C C 379 173.973 173.973 173.472 0.501 17783 1426 1 3 . 1 1 57 57 THR CA C 379 60.517 60.517 61.137 -0.620 17783 1427 1 3 . 1 1 57 57 THR CB C 379 71.582 71.582 69.909 1.673 17783 1428 1 3 . 1 1 57 57 THR H H 379 8.677 8.677 8.501 0.176 17783 1429 1 3 . 1 1 58 58 ARG N N 380 124.546 124.546 126.825 -2.279 17783 1430 1 3 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.541 -0.233 17783 1431 1 3 . 1 1 58 58 ARG C C 380 176.074 176.074 175.532 0.542 17783 1432 1 3 . 1 1 58 58 ARG CA C 380 55.510 55.510 55.670 -0.160 17783 1433 1 3 . 1 1 58 58 ARG CB C 380 32.473 32.473 33.123 -0.650 17783 1434 1 3 . 1 1 58 58 ARG H H 380 9.117 9.117 8.224 0.893 17783 1435 1 3 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.536 -0.230 17783 1436 1 3 . 1 1 59 59 ASN C C 381 175.444 175.444 175.493 -0.049 17783 1437 1 3 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.053 1.184 17783 1438 1 3 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.817 -0.604 17783 1439 1 3 . 1 1 60 60 GLY N N 382 103.015 103.015 104.773 -1.758 17783 1440 1 3 . 1 1 60 60 GLY C C 382 173.488 173.488 173.665 -0.177 17783 1441 1 3 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.938 -0.466 17783 1442 1 3 . 1 1 60 60 GLY H H 382 8.639 8.639 8.599 0.040 17783 1443 1 3 . 1 1 61 61 GLN N N 383 119.903 119.903 117.917 1.986 17783 1444 1 3 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.617 0.383 17783 1445 1 3 . 1 1 61 61 GLN C C 383 172.730 172.730 173.638 -0.908 17783 1446 1 3 . 1 1 61 61 GLN CA C 383 52.691 52.691 53.198 -0.507 17783 1447 1 3 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.376 0.335 17783 1448 1 3 . 1 1 61 61 GLN H H 383 7.697 7.697 7.609 0.088 17783 1449 1 3 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.458 0.156 17783 1450 1 3 . 1 1 62 62 PRO C C 384 175.576 175.576 175.361 0.215 17783 1451 1 3 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.193 0.809 17783 1452 1 3 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.806 0.739 17783 1453 1 3 . 1 1 63 63 TRP N N 385 126.621 126.621 124.223 2.398 17783 1454 1 3 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.675 -0.164 17783 1455 1 3 . 1 1 63 63 TRP C C 385 172.096 172.096 173.170 -1.074 17783 1456 1 3 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.366 0.716 17783 1457 1 3 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.195 0.979 17783 1458 1 3 . 1 1 63 63 TRP H H 385 8.063 8.063 8.309 -0.246 17783 1459 1 3 . 1 1 64 64 TYR N N 386 124.129 124.129 123.054 1.075 17783 1460 1 3 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.190 1.028 17783 1461 1 3 . 1 1 64 64 TYR C C 386 173.544 173.544 173.858 -0.314 17783 1462 1 3 . 1 1 64 64 TYR CA C 386 56.769 56.769 55.515 1.254 17783 1463 1 3 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.556 3.877 17783 1464 1 3 . 1 1 64 64 TYR H H 386 7.954 7.954 7.746 0.208 17783 1465 1 3 . 1 1 65 65 VAL N N 387 121.167 121.167 122.014 -0.847 17783 1466 1 3 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.147 -0.284 17783 1467 1 3 . 1 1 65 65 VAL C C 387 172.675 172.675 174.718 -2.043 17783 1468 1 3 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.515 0.742 17783 1469 1 3 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.122 1.011 17783 1470 1 3 . 1 1 65 65 VAL H H 387 8.409 8.409 6.948 1.461 17783 1471 1 3 . 1 1 66 66 LEU N N 388 127.479 127.479 127.570 -0.091 17783 1472 1 3 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.665 0.758 17783 1473 1 3 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.637 -0.141 17783 1474 1 3 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.366 1.389 17783 1475 1 3 . 1 1 66 66 LEU H H 388 8.200 8.200 8.531 -0.331 17783 1476 1 3 . 1 1 67 67 VAL N N 389 120.778 120.778 116.015 4.763 17783 1477 1 3 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.457 1.383 17783 1478 1 3 . 1 1 67 67 VAL C C 389 174.934 174.934 174.637 0.297 17783 1479 1 3 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.991 -3.164 17783 1480 1 3 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.922 -1.230 17783 1481 1 3 . 1 1 67 67 VAL H H 389 9.314 9.314 8.061 1.253 17783 1482 1 3 . 1 1 68 68 SER N N 390 113.588 113.588 121.890 -8.302 17783 1483 1 3 . 1 1 68 68 SER HA H 390 4.850 4.850 4.762 0.088 17783 1484 1 3 . 1 1 68 68 SER C C 390 174.691 174.691 175.518 -0.827 17783 1485 1 3 . 1 1 68 68 SER CA C 390 58.213 58.213 57.436 0.777 17783 1486 1 3 . 1 1 68 68 SER CB C 390 66.007 66.007 63.283 2.724 17783 1487 1 3 . 1 1 68 68 SER H H 390 8.803 8.803 8.498 0.305 17783 1488 1 3 . 1 1 69 69 GLY N N 391 115.161 115.161 114.054 1.107 17783 1489 1 3 . 1 1 69 69 GLY C C 391 172.208 172.208 173.260 -1.052 17783 1490 1 3 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.673 -1.348 17783 1491 1 3 . 1 1 69 69 GLY H H 391 8.436 8.436 8.133 0.303 17783 1492 1 3 . 1 1 70 70 VAL N N 392 117.033 117.033 120.613 -3.580 17783 1493 1 3 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.096 0.384 17783 1494 1 3 . 1 1 70 70 VAL C C 392 174.635 174.635 173.742 0.893 17783 1495 1 3 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.459 0.744 17783 1496 1 3 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.429 -0.192 17783 1497 1 3 . 1 1 70 70 VAL H H 392 7.188 7.188 7.647 -0.459 17783 1498 1 3 . 1 1 71 71 TYR N N 393 124.867 124.867 125.013 -0.146 17783 1499 1 3 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.796 0.005 17783 1500 1 3 . 1 1 71 71 TYR C C 393 175.550 175.550 175.861 -0.311 17783 1501 1 3 . 1 1 71 71 TYR CA C 393 56.285 56.285 56.872 -0.587 17783 1502 1 3 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.668 2.875 17783 1503 1 3 . 1 1 71 71 TYR H H 393 9.517 9.517 8.108 1.409 17783 1504 1 3 . 1 1 72 72 ALA N N 394 124.217 124.217 126.607 -2.390 17783 1505 1 3 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.864 -1.093 17783 1506 1 3 . 1 1 72 72 ALA C C 394 175.911 175.911 176.533 -0.622 17783 1507 1 3 . 1 1 72 72 ALA CA C 394 53.257 53.257 53.120 0.137 17783 1508 1 3 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.040 -0.019 17783 1509 1 3 . 1 1 72 72 ALA H H 394 8.984 8.984 8.675 0.309 17783 1510 1 3 . 1 1 73 73 SER N N 395 106.325 106.325 110.536 -4.211 17783 1511 1 3 . 1 1 73 73 SER HA H 395 4.769 4.769 4.527 0.242 17783 1512 1 3 . 1 1 73 73 SER C C 395 173.686 173.686 173.905 -0.219 17783 1513 1 3 . 1 1 73 73 SER CA C 395 56.031 56.031 57.178 -1.147 17783 1514 1 3 . 1 1 73 73 SER CB C 395 66.773 66.773 64.330 2.443 17783 1515 1 3 . 1 1 73 73 SER H H 395 7.251 7.251 7.491 -0.240 17783 1516 1 3 . 1 1 74 74 LYS N N 396 123.531 123.531 121.723 1.808 17783 1517 1 3 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.974 -1.080 17783 1518 1 3 . 1 1 74 74 LYS C C 396 178.040 178.040 177.409 0.631 17783 1519 1 3 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.425 2.118 17783 1520 1 3 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.758 -0.122 17783 1521 1 3 . 1 1 74 74 LYS H H 396 8.742 8.742 8.676 0.066 17783 1522 1 3 . 1 1 75 75 GLU N N 397 118.740 118.740 120.224 -1.484 17783 1523 1 3 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.947 -0.133 17783 1524 1 3 . 1 1 75 75 GLU C C 397 179.136 179.136 178.425 0.711 17783 1525 1 3 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.074 1.003 17783 1526 1 3 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.156 -0.408 17783 1527 1 3 . 1 1 75 75 GLU H H 397 8.529 8.529 7.701 0.828 17783 1528 1 3 . 1 1 76 76 GLU N N 398 119.987 119.987 118.655 1.332 17783 1529 1 3 . 1 1 76 76 GLU HA H 398 3.835 3.835 3.971 -0.136 17783 1530 1 3 . 1 1 76 76 GLU C C 398 178.564 178.564 178.311 0.253 17783 1531 1 3 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.748 0.614 17783 1532 1 3 . 1 1 76 76 GLU CB C 398 30.431 30.431 28.528 1.903 17783 1533 1 3 . 1 1 76 76 GLU H H 398 7.804 7.804 8.123 -0.319 17783 1534 1 3 . 1 1 77 77 ALA N N 399 122.630 122.630 122.808 -0.178 17783 1535 1 3 . 1 1 77 77 ALA HA H 399 2.588 2.588 2.359 0.229 17783 1536 1 3 . 1 1 77 77 ALA C C 399 177.764 177.764 178.839 -1.075 17783 1537 1 3 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.288 0.073 17783 1538 1 3 . 1 1 77 77 ALA CB C 399 17.665 17.665 17.753 -0.088 17783 1539 1 3 . 1 1 77 77 ALA H H 399 7.294 7.294 7.517 -0.223 17783 1540 1 3 . 1 1 78 78 LYS N N 400 115.403 115.403 116.882 -1.479 17783 1541 1 3 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.949 -0.179 17783 1542 1 3 . 1 1 78 78 LYS C C 400 180.700 180.700 178.375 2.325 17783 1543 1 3 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.764 0.778 17783 1544 1 3 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.300 -0.467 17783 1545 1 3 . 1 1 78 78 LYS H H 400 8.001 8.001 7.612 0.389 17783 1546 1 3 . 1 1 79 79 LYS N N 401 119.756 119.756 117.943 1.813 17783 1547 1 3 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.177 -0.208 17783 1548 1 3 . 1 1 79 79 LYS C C 401 178.347 178.347 178.766 -0.419 17783 1549 1 3 . 1 1 79 79 LYS CA C 401 58.976 58.976 57.826 1.150 17783 1550 1 3 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.654 -0.355 17783 1551 1 3 . 1 1 79 79 LYS H H 401 7.788 7.788 7.417 0.371 17783 1552 1 3 . 1 1 80 80 ALA N N 402 120.725 120.725 122.742 -2.017 17783 1553 1 3 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.138 0.005 17783 1554 1 3 . 1 1 80 80 ALA C C 402 180.118 180.118 178.819 1.299 17783 1555 1 3 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.688 -0.916 17783 1556 1 3 . 1 1 80 80 ALA CB C 402 18.469 18.469 18.076 0.393 17783 1557 1 3 . 1 1 80 80 ALA H H 402 7.334 7.334 8.210 -0.876 17783 1558 1 3 . 1 1 81 81 VAL N N 403 120.431 120.431 117.844 2.587 17783 1559 1 3 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.582 -0.220 17783 1560 1 3 . 1 1 81 81 VAL C C 403 177.205 177.205 177.998 -0.793 17783 1561 1 3 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.680 1.048 17783 1562 1 3 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.603 0.130 17783 1563 1 3 . 1 1 81 81 VAL H H 403 7.480 7.480 7.526 -0.046 17783 1564 1 3 . 1 1 82 82 SER N N 404 110.126 110.126 113.545 -3.419 17783 1565 1 3 . 1 1 82 82 SER HA H 404 4.143 4.143 4.111 0.032 17783 1566 1 3 . 1 1 82 82 SER C C 404 174.813 174.813 176.071 -1.258 17783 1567 1 3 . 1 1 82 82 SER CA C 404 60.751 60.751 60.916 -0.165 17783 1568 1 3 . 1 1 82 82 SER CB C 404 63.287 63.287 63.124 0.163 17783 1569 1 3 . 1 1 82 82 SER H H 404 7.326 7.326 7.829 -0.503 17783 1570 1 3 . 1 1 83 83 THR N N 405 110.438 110.438 114.541 -4.103 17783 1571 1 3 . 1 1 83 83 THR HA H 405 4.461 4.461 4.066 0.395 17783 1572 1 3 . 1 1 83 83 THR C C 405 175.081 175.081 175.552 -0.471 17783 1573 1 3 . 1 1 83 83 THR CA C 405 61.761 61.761 64.121 -2.360 17783 1574 1 3 . 1 1 83 83 THR CB C 405 69.795 69.795 69.010 0.785 17783 1575 1 3 . 1 1 83 83 THR H H 405 7.634 7.634 8.012 -0.378 17783 1576 1 3 . 1 1 84 84 LEU N N 406 123.244 123.244 123.363 -0.119 17783 1577 1 3 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.219 0.421 17783 1578 1 3 . 1 1 84 84 LEU C C 406 174.599 174.599 175.571 -0.972 17783 1579 1 3 . 1 1 84 84 LEU CA C 406 53.295 53.295 53.993 -0.698 17783 1580 1 3 . 1 1 84 84 LEU CB C 406 40.709 40.709 40.938 -0.229 17783 1581 1 3 . 1 1 84 84 LEU H H 406 7.478 7.478 7.513 -0.035 17783 1582 1 3 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.487 0.006 17783 1583 1 3 . 1 1 85 85 PRO C C 407 177.743 177.743 177.301 0.442 17783 1584 1 3 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.370 0.774 17783 1585 1 3 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.480 0.441 17783 1586 1 3 . 1 1 86 86 ALA N N 408 128.809 128.809 122.579 6.230 17783 1587 1 3 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.072 -0.126 17783 1588 1 3 . 1 1 86 86 ALA C C 408 180.517 180.517 179.426 1.091 17783 1589 1 3 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.712 0.793 17783 1590 1 3 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.011 0.334 17783 1591 1 3 . 1 1 86 86 ALA H H 408 9.168 9.168 8.599 0.569 17783 1592 1 3 . 1 1 87 87 ASP N N 409 116.520 116.520 118.550 -2.030 17783 1593 1 3 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.481 -0.019 17783 1594 1 3 . 1 1 87 87 ASP C C 409 178.081 178.081 177.600 0.481 17783 1595 1 3 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.025 -0.090 17783 1596 1 3 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.100 0.259 17783 1597 1 3 . 1 1 87 87 ASP H H 409 9.359 9.359 8.748 0.611 17783 1598 1 3 . 1 1 88 88 VAL N N 410 117.452 117.452 116.514 0.938 17783 1599 1 3 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.295 -0.206 17783 1600 1 3 . 1 1 88 88 VAL C C 410 178.675 178.675 178.287 0.388 17783 1601 1 3 . 1 1 88 88 VAL CA C 410 64.875 64.875 64.845 0.030 17783 1602 1 3 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.293 -1.008 17783 1603 1 3 . 1 1 88 88 VAL H H 410 7.355 7.355 7.649 -0.294 17783 1604 1 3 . 1 1 89 89 GLN N N 411 119.387 119.387 121.601 -2.214 17783 1605 1 3 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.978 -0.334 17783 1606 1 3 . 1 1 89 89 GLN C C 411 179.168 179.168 178.337 0.831 17783 1607 1 3 . 1 1 89 89 GLN CA C 411 60.712 60.712 59.407 1.305 17783 1608 1 3 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.796 -0.286 17783 1609 1 3 . 1 1 89 89 GLN H H 411 8.271 8.271 8.660 -0.389 17783 1610 1 3 . 1 1 90 90 ALA N N 412 118.634 118.634 121.166 -2.532 17783 1611 1 3 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.202 0.063 17783 1612 1 3 . 1 1 90 90 ALA C C 412 177.949 177.949 178.471 -0.522 17783 1613 1 3 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.184 -0.243 17783 1614 1 3 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.363 -0.037 17783 1615 1 3 . 1 1 90 90 ALA H H 412 7.794 7.794 8.518 -0.724 17783 1616 1 3 . 1 1 91 91 LYS N N 413 115.842 115.842 118.116 -2.274 17783 1617 1 3 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.227 0.105 17783 1618 1 3 . 1 1 91 91 LYS C C 413 175.829 175.829 175.660 0.169 17783 1619 1 3 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.456 -0.086 17783 1620 1 3 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.468 -0.984 17783 1621 1 3 . 1 1 91 91 LYS H H 413 7.398 7.398 7.446 -0.048 17783 1622 1 3 . 1 1 92 92 ASN N N 414 113.776 113.776 115.928 -2.152 17783 1623 1 3 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.522 0.014 17783 1624 1 3 . 1 1 92 92 ASN C C 414 171.075 171.075 173.011 -1.936 17783 1625 1 3 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.370 0.693 17783 1626 1 3 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.424 0.657 17783 1627 1 3 . 1 1 92 92 ASN H H 414 8.178 8.178 8.154 0.024 17783 1628 1 3 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.657 0.345 17783 1629 1 3 . 1 1 93 93 PRO C C 415 175.682 175.682 176.560 -0.878 17783 1630 1 3 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.258 0.232 17783 1631 1 3 . 1 1 93 93 PRO CB C 415 33.585 33.585 31.837 1.748 17783 1632 1 3 . 1 1 94 94 TRP N N 416 117.925 117.925 123.226 -5.301 17783 1633 1 3 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.680 0.337 17783 1634 1 3 . 1 1 94 94 TRP C C 416 173.607 173.607 174.976 -1.369 17783 1635 1 3 . 1 1 94 94 TRP CA C 416 53.995 53.995 55.204 -1.209 17783 1636 1 3 . 1 1 94 94 TRP CB C 416 31.507 31.507 28.964 2.543 17783 1637 1 3 . 1 1 94 94 TRP H H 416 7.921 7.921 7.889 0.032 17783 1638 1 3 . 1 1 95 95 ALA N N 417 123.924 123.924 127.942 -4.018 17783 1639 1 3 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.074 0.681 17783 1640 1 3 . 1 1 95 95 ALA C C 417 174.171 174.171 176.205 -2.034 17783 1641 1 3 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.745 -1.108 17783 1642 1 3 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.648 -0.180 17783 1643 1 3 . 1 1 95 95 ALA H H 417 8.878 8.878 8.413 0.465 17783 1644 1 3 . 1 1 96 96 LYS N N 418 129.441 129.441 122.510 6.931 17783 1645 1 3 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.402 0.619 17783 1646 1 3 . 1 1 96 96 LYS C C 418 173.451 173.451 173.695 -0.244 17783 1647 1 3 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.825 -0.261 17783 1648 1 3 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.356 3.627 17783 1649 1 3 . 1 1 96 96 LYS H H 418 9.235 9.235 8.253 0.982 17783 1650 1 3 . 1 1 97 97 PRO HA H 419 3.764 3.764 3.947 -0.183 17783 1651 1 3 . 1 1 97 97 PRO C C 419 178.893 178.893 177.507 1.386 17783 1652 1 3 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.939 -0.044 17783 1653 1 3 . 1 1 97 97 PRO CB C 419 32.720 32.720 31.973 0.747 17783 1654 1 3 . 1 1 98 98 LEU N N 420 126.746 126.746 125.624 1.122 17783 1655 1 3 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.888 -0.085 17783 1656 1 3 . 1 1 98 98 LEU C C 420 179.040 179.040 177.955 1.085 17783 1657 1 3 . 1 1 98 98 LEU CA C 420 57.368 57.368 57.573 -0.205 17783 1658 1 3 . 1 1 98 98 LEU CB C 420 39.941 39.941 42.152 -2.211 17783 1659 1 3 . 1 1 98 98 LEU H H 420 9.179 9.179 7.843 1.336 17783 1660 1 3 . 1 1 99 99 ARG N N 421 118.262 118.262 115.811 2.451 17783 1661 1 3 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.247 -0.188 17783 1662 1 3 . 1 1 99 99 ARG C C 421 178.140 178.140 177.294 0.846 17783 1663 1 3 . 1 1 99 99 ARG CA C 421 59.093 59.093 57.720 1.373 17783 1664 1 3 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.159 0.797 17783 1665 1 3 . 1 1 99 99 ARG H H 421 8.014 8.014 8.002 0.012 17783 1666 1 3 . 1 1 100 100 GLN N N 422 116.539 116.539 119.809 -3.270 17783 1667 1 3 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.333 -0.123 17783 1668 1 3 . 1 1 100 100 GLN C C 422 177.594 177.594 177.713 -0.119 17783 1669 1 3 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.754 -0.021 17783 1670 1 3 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.835 -0.657 17783 1671 1 3 . 1 1 100 100 GLN H H 422 7.258 7.258 8.269 -1.011 17783 1672 1 3 . 1 1 101 101 VAL N N 423 119.665 119.665 120.938 -1.273 17783 1673 1 3 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.616 -0.068 17783 1674 1 3 . 1 1 101 101 VAL C C 423 177.040 177.040 177.787 -0.747 17783 1675 1 3 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.858 -0.411 17783 1676 1 3 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.977 1.576 17783 1677 1 3 . 1 1 101 101 VAL H H 423 7.090 7.090 7.910 -0.820 17783 1678 1 3 . 1 1 102 102 GLN N N 424 115.032 115.032 118.225 -3.193 17783 1679 1 3 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.952 -0.387 17783 1680 1 3 . 1 1 102 102 GLN C C 424 177.994 177.994 177.380 0.614 17783 1681 1 3 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.081 0.802 17783 1682 1 3 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.908 -0.848 17783 1683 1 3 . 1 1 102 102 GLN H H 424 8.553 8.553 7.967 0.586 17783 1684 1 3 . 1 1 103 103 ALA N N 425 120.742 120.742 123.641 -2.899 17783 1685 1 3 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.094 0.064 17783 1686 1 3 . 1 1 103 103 ALA C C 425 178.545 178.545 178.747 -0.202 17783 1687 1 3 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.524 -0.249 17783 1688 1 3 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.753 -0.431 17783 1689 1 3 . 1 1 103 103 ALA H H 425 7.366 7.366 8.145 -0.779 17783 1690 1 3 . 1 1 104 104 ASP N N 426 117.066 117.066 118.515 -1.449 17783 1691 1 3 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.582 0.126 17783 1692 1 3 . 1 1 104 104 ASP C C 426 176.876 176.876 177.502 -0.626 17783 1693 1 3 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.332 -0.109 17783 1694 1 3 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.465 1.036 17783 1695 1 3 . 1 1 104 104 ASP H H 426 7.628 7.628 8.088 -0.460 17783 1696 1 3 . 1 1 105 105 LEU N N 427 119.853 119.853 119.876 -0.023 17783 1697 1 3 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.340 -0.041 17783 1698 1 3 . 1 1 105 105 LEU C C 427 176.118 176.118 176.158 -0.040 17783 1699 1 3 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.138 -0.152 17783 1700 1 3 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.580 -0.502 17783 1701 1 3 . 1 1 105 105 LEU H H 427 7.242 7.242 7.649 -0.407 17783 1702 1 4 . 1 1 2 2 ARG N N 324 121.883 121.883 118.391 3.492 17783 1703 1 4 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.558 -0.214 17783 1704 1 4 . 1 1 2 2 ARG C C 324 176.887 176.887 176.660 0.227 17783 1705 1 4 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.132 0.373 17783 1706 1 4 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.363 0.371 17783 1707 1 4 . 1 1 2 2 ARG H H 324 8.373 8.373 8.006 0.367 17783 1708 1 4 . 1 1 3 3 GLY N N 325 111.231 111.231 109.189 2.042 17783 1709 1 4 . 1 1 3 3 GLY C C 325 174.037 174.037 174.255 -0.218 17783 1710 1 4 . 1 1 3 3 GLY CA C 325 45.228 45.228 46.120 -0.892 17783 1711 1 4 . 1 1 3 3 GLY H H 325 8.683 8.683 8.502 0.181 17783 1712 1 4 . 1 1 4 4 SER N N 326 115.541 115.541 113.385 2.156 17783 1713 1 4 . 1 1 4 4 SER HA H 326 4.377 4.377 4.764 -0.387 17783 1714 1 4 . 1 1 4 4 SER C C 326 174.454 174.454 172.548 1.906 17783 1715 1 4 . 1 1 4 4 SER CA C 326 58.315 58.315 57.862 0.453 17783 1716 1 4 . 1 1 4 4 SER CB C 326 63.902 63.902 63.925 -0.023 17783 1717 1 4 . 1 1 4 4 SER H H 326 8.237 8.237 7.712 0.525 17783 1718 1 4 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.176 0.404 17783 1719 1 4 . 1 1 10 10 HIS C C 332 175.292 175.292 175.636 -0.344 17783 1720 1 4 . 1 1 10 10 HIS CA C 332 55.946 55.946 57.745 -1.799 17783 1721 1 4 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.759 0.363 17783 1722 1 4 . 1 1 11 11 GLY N N 333 110.527 110.527 107.446 3.081 17783 1723 1 4 . 1 1 11 11 GLY C C 333 174.126 174.126 173.383 0.743 17783 1724 1 4 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.798 0.529 17783 1725 1 4 . 1 1 11 11 GLY H H 333 8.540 8.540 8.271 0.269 17783 1726 1 4 . 1 1 12 12 SER N N 334 115.752 115.752 115.369 0.383 17783 1727 1 4 . 1 1 12 12 SER HA H 334 4.436 4.436 4.065 0.371 17783 1728 1 4 . 1 1 12 12 SER C C 334 174.538 174.538 174.790 -0.252 17783 1729 1 4 . 1 1 12 12 SER CA C 334 58.486 58.486 58.935 -0.449 17783 1730 1 4 . 1 1 12 12 SER CB C 334 63.927 63.927 62.969 0.958 17783 1731 1 4 . 1 1 12 12 SER H H 334 8.356 8.356 7.020 1.336 17783 1732 1 4 . 1 1 13 13 ASN N N 335 120.410 120.410 124.054 -3.644 17783 1733 1 4 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.282 0.447 17783 1734 1 4 . 1 1 13 13 ASN C C 335 175.116 175.116 174.367 0.749 17783 1735 1 4 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.798 -0.412 17783 1736 1 4 . 1 1 13 13 ASN CB C 335 38.668 38.668 37.774 0.894 17783 1737 1 4 . 1 1 13 13 ASN H H 335 8.575 8.575 8.506 0.069 17783 1738 1 4 . 1 1 14 14 ASN N N 336 119.094 119.094 118.713 0.381 17783 1739 1 4 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.380 0.349 17783 1740 1 4 . 1 1 14 14 ASN C C 336 175.395 175.395 173.719 1.676 17783 1741 1 4 . 1 1 14 14 ASN CA C 336 53.385 53.385 54.140 -0.755 17783 1742 1 4 . 1 1 14 14 ASN CB C 336 38.669 38.669 37.608 1.060 17783 1743 1 4 . 1 1 14 14 ASN H H 336 8.447 8.447 8.685 -0.238 17783 1744 1 4 . 1 1 15 15 ASN N N 337 118.915 118.915 115.913 3.002 17783 1745 1 4 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.803 -0.269 17783 1746 1 4 . 1 1 15 15 ASN C C 337 176.390 176.390 174.062 2.328 17783 1747 1 4 . 1 1 15 15 ASN CA C 337 53.991 53.991 52.857 1.134 17783 1748 1 4 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.335 -0.714 17783 1749 1 4 . 1 1 15 15 ASN H H 337 8.446 8.446 8.067 0.379 17783 1750 1 4 . 1 1 16 16 GLY N N 338 108.851 108.851 108.146 0.705 17783 1751 1 4 . 1 1 16 16 GLY C C 338 175.459 175.459 173.881 1.578 17783 1752 1 4 . 1 1 16 16 GLY CA C 338 46.752 46.752 44.797 1.955 17783 1753 1 4 . 1 1 16 16 GLY H H 338 8.454 8.454 7.635 0.819 17783 1754 1 4 . 1 1 17 17 SER N N 339 116.218 116.218 116.081 0.137 17783 1755 1 4 . 1 1 17 17 SER HA H 339 4.229 4.229 4.333 -0.104 17783 1756 1 4 . 1 1 17 17 SER C C 339 175.869 175.869 175.328 0.541 17783 1757 1 4 . 1 1 17 17 SER CA C 339 59.759 59.759 59.074 0.685 17783 1758 1 4 . 1 1 17 17 SER CB C 339 62.973 62.973 63.090 -0.117 17783 1759 1 4 . 1 1 17 17 SER H H 339 8.170 8.170 8.298 -0.128 17783 1760 1 4 . 1 1 18 18 LEU N N 340 121.515 121.515 120.658 0.857 17783 1761 1 4 . 1 1 18 18 LEU HA H 340 4.002 4.002 3.921 0.081 17783 1762 1 4 . 1 1 18 18 LEU C C 340 178.399 178.399 178.654 -0.255 17783 1763 1 4 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.026 0.125 17783 1764 1 4 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.525 0.551 17783 1765 1 4 . 1 1 18 18 LEU H H 340 7.790 7.790 7.799 -0.009 17783 1766 1 4 . 1 1 19 19 LYS N N 341 117.145 117.145 119.839 -2.694 17783 1767 1 4 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.101 -0.293 17783 1768 1 4 . 1 1 19 19 LYS C C 341 176.960 176.960 178.992 -2.032 17783 1769 1 4 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.787 0.405 17783 1770 1 4 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.408 0.385 17783 1771 1 4 . 1 1 19 19 LYS H H 341 7.893 7.893 7.456 0.437 17783 1772 1 4 . 1 1 20 20 SER N N 342 110.377 110.377 115.543 -5.166 17783 1773 1 4 . 1 1 20 20 SER HA H 342 4.369 4.369 4.336 0.033 17783 1774 1 4 . 1 1 20 20 SER C C 342 173.735 173.735 173.467 0.268 17783 1775 1 4 . 1 1 20 20 SER CA C 342 58.141 58.141 57.504 0.637 17783 1776 1 4 . 1 1 20 20 SER CB C 342 63.900 63.900 62.364 1.536 17783 1777 1 4 . 1 1 20 20 SER H H 342 7.546 7.546 8.371 -0.825 17783 1778 1 4 . 1 1 21 21 ALA N N 343 125.662 125.662 124.907 0.755 17783 1779 1 4 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.499 -0.137 17783 1780 1 4 . 1 1 21 21 ALA C C 343 174.051 174.051 175.601 -1.550 17783 1781 1 4 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.718 0.854 17783 1782 1 4 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.942 -0.808 17783 1783 1 4 . 1 1 21 21 ALA H H 343 6.852 6.852 7.400 -0.548 17783 1784 1 4 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.364 -0.126 17783 1785 1 4 . 1 1 22 22 PRO C C 344 178.184 178.184 176.380 1.804 17783 1786 1 4 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.761 0.320 17783 1787 1 4 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.632 0.972 17783 1788 1 4 . 1 1 23 23 SER N N 345 118.662 118.662 119.974 -1.312 17783 1789 1 4 . 1 1 23 23 SER HA H 345 3.825 3.825 4.167 -0.342 17783 1790 1 4 . 1 1 23 23 SER C C 345 174.231 174.231 175.490 -1.259 17783 1791 1 4 . 1 1 23 23 SER CA C 345 60.892 60.892 60.332 0.560 17783 1792 1 4 . 1 1 23 23 SER CB C 345 63.223 63.223 63.288 -0.065 17783 1793 1 4 . 1 1 23 23 SER H H 345 8.566 8.566 8.157 0.409 17783 1794 1 4 . 1 1 24 24 SER N N 346 111.938 111.938 116.244 -4.306 17783 1795 1 4 . 1 1 24 24 SER HA H 346 4.383 4.383 4.144 0.239 17783 1796 1 4 . 1 1 24 24 SER C C 346 175.152 175.152 174.574 0.578 17783 1797 1 4 . 1 1 24 24 SER CA C 346 58.247 58.247 59.961 -1.714 17783 1798 1 4 . 1 1 24 24 SER CB C 346 63.958 63.958 63.231 0.727 17783 1799 1 4 . 1 1 24 24 SER H H 346 7.675 7.675 8.254 -0.579 17783 1800 1 4 . 1 1 25 25 HIS N N 347 122.882 122.882 119.550 3.332 17783 1801 1 4 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.351 0.499 17783 1802 1 4 . 1 1 25 25 HIS C C 347 173.574 173.574 174.541 -0.967 17783 1803 1 4 . 1 1 25 25 HIS CA C 347 56.075 56.075 56.259 -0.184 17783 1804 1 4 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.087 1.761 17783 1805 1 4 . 1 1 25 25 HIS H H 347 7.628 7.628 7.282 0.346 17783 1806 1 4 . 1 1 26 26 TYR N N 348 117.921 117.921 122.368 -4.447 17783 1807 1 4 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.747 0.242 17783 1808 1 4 . 1 1 26 26 TYR C C 348 174.086 174.086 175.090 -1.004 17783 1809 1 4 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.992 0.195 17783 1810 1 4 . 1 1 26 26 TYR CB C 348 43.834 43.834 40.761 3.073 17783 1811 1 4 . 1 1 26 26 TYR H H 348 9.606 9.606 8.115 1.491 17783 1812 1 4 . 1 1 27 27 THR N N 349 115.914 115.914 116.268 -0.354 17783 1813 1 4 . 1 1 27 27 THR HA H 349 5.027 5.027 4.821 0.206 17783 1814 1 4 . 1 1 27 27 THR C C 349 172.904 172.904 173.743 -0.839 17783 1815 1 4 . 1 1 27 27 THR CA C 349 58.835 58.835 60.413 -1.578 17783 1816 1 4 . 1 1 27 27 THR CB C 349 70.587 70.587 70.123 0.464 17783 1817 1 4 . 1 1 27 27 THR H H 349 8.974 8.974 8.481 0.493 17783 1818 1 4 . 1 1 28 28 LEU N N 350 123.392 123.392 125.046 -1.654 17783 1819 1 4 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.187 0.802 17783 1820 1 4 . 1 1 28 28 LEU C C 350 176.111 176.111 176.725 -0.614 17783 1821 1 4 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.360 -2.262 17783 1822 1 4 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.309 2.561 17783 1823 1 4 . 1 1 28 28 LEU H H 350 8.249 8.249 8.712 -0.463 17783 1824 1 4 . 1 1 29 29 GLN N N 351 122.797 122.797 116.478 6.319 17783 1825 1 4 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.369 0.184 17783 1826 1 4 . 1 1 29 29 GLN C C 351 175.435 175.435 175.321 0.114 17783 1827 1 4 . 1 1 29 29 GLN CA C 351 55.943 55.943 55.191 0.752 17783 1828 1 4 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.264 -3.033 17783 1829 1 4 . 1 1 29 29 GLN H H 351 8.915 8.915 8.134 0.781 17783 1830 1 4 . 1 1 30 30 LEU N N 352 125.239 125.239 125.758 -0.519 17783 1831 1 4 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.597 -0.230 17783 1832 1 4 . 1 1 30 30 LEU C C 352 177.250 177.250 176.256 0.994 17783 1833 1 4 . 1 1 30 30 LEU CA C 352 56.101 56.101 55.535 0.566 17783 1834 1 4 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.279 -0.179 17783 1835 1 4 . 1 1 30 30 LEU H H 352 8.920 8.920 8.476 0.444 17783 1836 1 4 . 1 1 31 31 SER N N 353 106.816 106.816 109.669 -2.853 17783 1837 1 4 . 1 1 31 31 SER HA H 353 4.493 4.493 4.477 0.016 17783 1838 1 4 . 1 1 31 31 SER C C 353 171.831 171.831 172.332 -0.501 17783 1839 1 4 . 1 1 31 31 SER CA C 353 57.160 57.160 57.958 -0.798 17783 1840 1 4 . 1 1 31 31 SER CB C 353 64.360 64.360 63.994 0.366 17783 1841 1 4 . 1 1 31 31 SER H H 353 7.548 7.548 8.046 -0.498 17783 1842 1 4 . 1 1 32 32 SER N N 354 113.518 113.518 115.550 -2.032 17783 1843 1 4 . 1 1 32 32 SER HA H 354 5.026 5.026 4.365 0.661 17783 1844 1 4 . 1 1 32 32 SER C C 354 172.512 172.512 171.442 1.070 17783 1845 1 4 . 1 1 32 32 SER CA C 354 57.285 57.285 57.122 0.163 17783 1846 1 4 . 1 1 32 32 SER CB C 354 65.347 65.347 63.864 1.483 17783 1847 1 4 . 1 1 32 32 SER H H 354 8.127 8.127 8.313 -0.186 17783 1848 1 4 . 1 1 33 33 SER N N 355 114.624 114.624 116.248 -1.624 17783 1849 1 4 . 1 1 33 33 SER HA H 355 4.106 4.106 4.239 -0.133 17783 1850 1 4 . 1 1 33 33 SER C C 355 171.639 171.639 171.184 0.455 17783 1851 1 4 . 1 1 33 33 SER CA C 355 57.276 57.276 57.357 -0.081 17783 1852 1 4 . 1 1 33 33 SER CB C 355 64.539 64.539 63.432 1.107 17783 1853 1 4 . 1 1 33 33 SER H H 355 8.616 8.616 6.672 1.944 17783 1854 1 4 . 1 1 34 34 SER N N 356 116.467 116.467 115.864 0.603 17783 1855 1 4 . 1 1 34 34 SER HA H 356 4.241 4.241 4.984 -0.743 17783 1856 1 4 . 1 1 34 34 SER C C 356 173.820 173.820 173.160 0.660 17783 1857 1 4 . 1 1 34 34 SER CA C 356 59.074 59.074 58.106 0.968 17783 1858 1 4 . 1 1 34 34 SER CB C 356 63.741 63.741 63.354 0.387 17783 1859 1 4 . 1 1 34 34 SER H H 356 8.132 8.132 8.316 -0.184 17783 1860 1 4 . 1 1 35 35 ASN N N 357 122.206 122.206 119.138 3.068 17783 1861 1 4 . 1 1 35 35 ASN HA H 357 4.921 4.921 4.957 -0.036 17783 1862 1 4 . 1 1 35 35 ASN C C 357 172.965 172.965 174.299 -1.334 17783 1863 1 4 . 1 1 35 35 ASN CA C 357 52.447 52.447 52.816 -0.369 17783 1864 1 4 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.055 0.870 17783 1865 1 4 . 1 1 35 35 ASN H H 357 8.511 8.511 8.235 0.276 17783 1866 1 4 . 1 1 36 36 TYR N N 358 127.519 127.519 125.134 2.385 17783 1867 1 4 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.994 -1.022 17783 1868 1 4 . 1 1 36 36 TYR C C 358 176.522 176.522 176.481 0.041 17783 1869 1 4 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.138 0.831 17783 1870 1 4 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.285 -0.575 17783 1871 1 4 . 1 1 36 36 TYR H H 358 8.002 8.002 8.644 -0.642 17783 1872 1 4 . 1 1 37 37 ASP N N 359 118.658 118.658 119.278 -0.620 17783 1873 1 4 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.321 -0.177 17783 1874 1 4 . 1 1 37 37 ASP C C 359 179.804 179.804 178.450 1.354 17783 1875 1 4 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.641 -0.138 17783 1876 1 4 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.350 -0.172 17783 1877 1 4 . 1 1 37 37 ASP H H 359 8.033 8.033 8.737 -0.704 17783 1878 1 4 . 1 1 38 38 ASN N N 360 119.802 119.802 117.364 2.438 17783 1879 1 4 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.503 -0.200 17783 1880 1 4 . 1 1 38 38 ASN C C 360 177.720 177.720 177.718 0.002 17783 1881 1 4 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.565 -0.115 17783 1882 1 4 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.261 -0.498 17783 1883 1 4 . 1 1 38 38 ASN H H 360 8.380 8.380 8.560 -0.180 17783 1884 1 4 . 1 1 39 39 LEU N N 361 121.625 121.625 120.275 1.350 17783 1885 1 4 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.055 0.042 17783 1886 1 4 . 1 1 39 39 LEU C C 361 177.738 177.738 178.208 -0.470 17783 1887 1 4 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.878 -0.313 17783 1888 1 4 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.750 0.978 17783 1889 1 4 . 1 1 39 39 LEU H H 361 7.243 7.243 7.436 -0.193 17783 1890 1 4 . 1 1 40 40 ASN N N 362 116.601 116.601 117.428 -0.827 17783 1891 1 4 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.156 -0.011 17783 1892 1 4 . 1 1 40 40 ASN C C 362 177.253 177.253 177.645 -0.392 17783 1893 1 4 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.633 -0.106 17783 1894 1 4 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.247 1.079 17783 1895 1 4 . 1 1 40 40 ASN H H 362 8.284 8.284 7.824 0.460 17783 1896 1 4 . 1 1 41 41 GLY N N 363 104.958 104.958 107.570 -2.612 17783 1897 1 4 . 1 1 41 41 GLY C C 363 176.323 176.323 175.516 0.807 17783 1898 1 4 . 1 1 41 41 GLY CA C 363 46.839 46.839 47.207 -0.368 17783 1899 1 4 . 1 1 41 41 GLY H H 363 8.334 8.334 7.847 0.487 17783 1900 1 4 . 1 1 42 42 TRP N N 364 125.066 125.066 124.562 0.504 17783 1901 1 4 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.278 -0.052 17783 1902 1 4 . 1 1 42 42 TRP C C 364 176.509 176.509 177.872 -1.363 17783 1903 1 4 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.466 1.023 17783 1904 1 4 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.337 -1.461 17783 1905 1 4 . 1 1 42 42 TRP H H 364 7.833 7.833 7.547 0.286 17783 1906 1 4 . 1 1 43 43 ALA N N 365 120.030 120.030 120.780 -0.750 17783 1907 1 4 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.258 -0.264 17783 1908 1 4 . 1 1 43 43 ALA C C 365 179.186 179.186 179.755 -0.569 17783 1909 1 4 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.151 -0.150 17783 1910 1 4 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.899 -0.811 17783 1911 1 4 . 1 1 43 43 ALA H H 365 7.701 7.701 8.360 -0.659 17783 1912 1 4 . 1 1 44 44 LYS N N 366 115.064 115.064 116.761 -1.697 17783 1913 1 4 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.959 0.074 17783 1914 1 4 . 1 1 44 44 LYS C C 366 180.830 180.830 179.307 1.523 17783 1915 1 4 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.638 0.353 17783 1916 1 4 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.171 0.179 17783 1917 1 4 . 1 1 44 44 LYS H H 366 7.562 7.562 7.890 -0.328 17783 1918 1 4 . 1 1 45 45 LYS N N 367 123.180 123.180 119.775 3.405 17783 1919 1 4 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.004 -0.097 17783 1920 1 4 . 1 1 45 45 LYS C C 367 178.319 178.319 178.803 -0.484 17783 1921 1 4 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.880 0.164 17783 1922 1 4 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.342 -0.276 17783 1923 1 4 . 1 1 45 45 LYS H H 367 8.067 8.067 7.724 0.343 17783 1924 1 4 . 1 1 46 46 GLU N N 368 114.882 114.882 115.161 -0.279 17783 1925 1 4 . 1 1 46 46 GLU HA H 368 3.917 3.917 3.988 -0.071 17783 1926 1 4 . 1 1 46 46 GLU C C 368 174.639 174.639 176.480 -1.841 17783 1927 1 4 . 1 1 46 46 GLU CA C 368 55.016 55.016 57.033 -2.017 17783 1928 1 4 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.236 -1.559 17783 1929 1 4 . 1 1 46 46 GLU H H 368 7.488 7.488 7.554 -0.066 17783 1930 1 4 . 1 1 47 47 ASN N N 369 114.944 114.944 116.388 -1.444 17783 1931 1 4 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.293 -0.021 17783 1932 1 4 . 1 1 47 47 ASN C C 369 174.759 174.759 174.385 0.374 17783 1933 1 4 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.653 0.051 17783 1934 1 4 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.801 0.258 17783 1935 1 4 . 1 1 47 47 ASN H H 369 7.772 7.772 7.694 0.078 17783 1936 1 4 . 1 1 48 48 LEU N N 370 116.008 116.008 119.061 -3.053 17783 1937 1 4 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.841 0.279 17783 1938 1 4 . 1 1 48 48 LEU C C 370 177.056 177.056 176.131 0.925 17783 1939 1 4 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.561 -0.443 17783 1940 1 4 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.798 1.119 17783 1941 1 4 . 1 1 48 48 LEU H H 370 7.463 7.463 7.293 0.170 17783 1942 1 4 . 1 1 49 49 LYS N N 371 120.012 120.012 122.256 -2.244 17783 1943 1 4 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.493 0.067 17783 1944 1 4 . 1 1 49 49 LYS C C 371 176.481 176.481 176.806 -0.325 17783 1945 1 4 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.283 0.046 17783 1946 1 4 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.648 0.908 17783 1947 1 4 . 1 1 49 49 LYS H H 371 8.518 8.518 7.945 0.573 17783 1948 1 4 . 1 1 50 50 ASN N N 372 117.610 117.610 119.238 -1.628 17783 1949 1 4 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.467 0.047 17783 1950 1 4 . 1 1 50 50 ASN C C 372 173.445 173.445 173.450 -0.005 17783 1951 1 4 . 1 1 50 50 ASN CA C 372 53.437 53.437 53.855 -0.418 17783 1952 1 4 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.248 -0.316 17783 1953 1 4 . 1 1 50 50 ASN H H 372 8.734 8.734 8.864 -0.130 17783 1954 1 4 . 1 1 51 51 TYR N N 373 117.151 117.151 115.761 1.390 17783 1955 1 4 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.869 0.526 17783 1956 1 4 . 1 1 51 51 TYR C C 373 173.549 173.549 173.274 0.275 17783 1957 1 4 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.316 -0.534 17783 1958 1 4 . 1 1 51 51 TYR CB C 373 40.411 40.411 39.990 0.421 17783 1959 1 4 . 1 1 51 51 TYR H H 373 7.570 7.570 7.774 -0.204 17783 1960 1 4 . 1 1 52 52 VAL N N 374 120.887 120.887 122.817 -1.930 17783 1961 1 4 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.053 0.245 17783 1962 1 4 . 1 1 52 52 VAL C C 374 174.289 174.289 174.950 -0.661 17783 1963 1 4 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.625 0.089 17783 1964 1 4 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.622 1.962 17783 1965 1 4 . 1 1 52 52 VAL H H 374 9.140 9.140 8.592 0.548 17783 1966 1 4 . 1 1 53 53 VAL N N 375 126.060 126.060 125.835 0.225 17783 1967 1 4 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.218 1.197 17783 1968 1 4 . 1 1 53 53 VAL C C 375 175.803 175.803 175.876 -0.073 17783 1969 1 4 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.797 -2.141 17783 1970 1 4 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.562 1.174 17783 1971 1 4 . 1 1 53 53 VAL H H 375 8.600 8.600 8.272 0.328 17783 1972 1 4 . 1 1 54 54 TYR N N 376 125.706 125.706 126.032 -0.326 17783 1973 1 4 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.080 0.342 17783 1974 1 4 . 1 1 54 54 TYR C C 376 172.139 172.139 173.525 -1.386 17783 1975 1 4 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.632 -0.503 17783 1976 1 4 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.682 0.975 17783 1977 1 4 . 1 1 54 54 TYR H H 376 9.292 9.292 8.574 0.718 17783 1978 1 4 . 1 1 55 55 GLU N N 377 122.063 122.063 119.123 2.940 17783 1979 1 4 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.138 0.576 17783 1980 1 4 . 1 1 55 55 GLU C C 377 175.011 175.011 175.519 -0.508 17783 1981 1 4 . 1 1 55 55 GLU CA C 377 55.143 55.143 54.925 0.218 17783 1982 1 4 . 1 1 55 55 GLU CB C 377 32.659 32.659 31.369 1.290 17783 1983 1 4 . 1 1 55 55 GLU H H 377 8.758 8.758 8.549 0.209 17783 1984 1 4 . 1 1 56 56 THR N N 378 122.855 122.855 113.721 9.134 17783 1985 1 4 . 1 1 56 56 THR HA H 378 4.848 4.848 4.567 0.281 17783 1986 1 4 . 1 1 56 56 THR C C 378 173.550 173.550 172.847 0.703 17783 1987 1 4 . 1 1 56 56 THR CA C 378 58.732 58.732 60.639 -1.907 17783 1988 1 4 . 1 1 56 56 THR CB C 378 70.181 70.181 70.012 0.169 17783 1989 1 4 . 1 1 56 56 THR H H 378 9.160 9.160 7.937 1.223 17783 1990 1 4 . 1 1 57 57 THR N N 379 116.629 116.629 114.070 2.559 17783 1991 1 4 . 1 1 57 57 THR HA H 379 5.145 5.145 4.671 0.474 17783 1992 1 4 . 1 1 57 57 THR C C 379 173.973 173.973 173.197 0.776 17783 1993 1 4 . 1 1 57 57 THR CA C 379 60.517 60.517 60.550 -0.033 17783 1994 1 4 . 1 1 57 57 THR CB C 379 71.582 71.582 70.617 0.965 17783 1995 1 4 . 1 1 57 57 THR H H 379 8.677 8.677 8.465 0.212 17783 1996 1 4 . 1 1 58 58 ARG N N 380 124.546 124.546 124.456 0.090 17783 1997 1 4 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.466 -0.158 17783 1998 1 4 . 1 1 58 58 ARG C C 380 176.074 176.074 174.507 1.567 17783 1999 1 4 . 1 1 58 58 ARG CA C 380 55.510 55.510 57.005 -1.495 17783 2000 1 4 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.457 1.016 17783 2001 1 4 . 1 1 58 58 ARG H H 380 9.117 9.117 8.610 0.507 17783 2002 1 4 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.566 -0.260 17783 2003 1 4 . 1 1 59 59 ASN C C 381 175.444 175.444 175.570 -0.126 17783 2004 1 4 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.535 0.702 17783 2005 1 4 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.982 -0.769 17783 2006 1 4 . 1 1 60 60 GLY N N 382 103.015 103.015 105.177 -2.162 17783 2007 1 4 . 1 1 60 60 GLY C C 382 173.488 173.488 173.713 -0.225 17783 2008 1 4 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.157 -0.685 17783 2009 1 4 . 1 1 60 60 GLY H H 382 8.639 8.639 8.589 0.050 17783 2010 1 4 . 1 1 61 61 GLN N N 383 119.903 119.903 118.078 1.825 17783 2011 1 4 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.677 0.323 17783 2012 1 4 . 1 1 61 61 GLN C C 383 172.730 172.730 173.746 -1.016 17783 2013 1 4 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.633 0.058 17783 2014 1 4 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.284 0.427 17783 2015 1 4 . 1 1 61 61 GLN H H 383 7.697 7.697 7.328 0.369 17783 2016 1 4 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.423 0.191 17783 2017 1 4 . 1 1 62 62 PRO C C 384 175.576 175.576 175.516 0.060 17783 2018 1 4 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.983 1.019 17783 2019 1 4 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.188 0.357 17783 2020 1 4 . 1 1 63 63 TRP N N 385 126.621 126.621 123.950 2.671 17783 2021 1 4 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.762 -0.251 17783 2022 1 4 . 1 1 63 63 TRP C C 385 172.096 172.096 172.824 -0.728 17783 2023 1 4 . 1 1 63 63 TRP CA C 385 56.082 56.082 56.390 -0.308 17783 2024 1 4 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.734 1.440 17783 2025 1 4 . 1 1 63 63 TRP H H 385 8.063 8.063 7.760 0.303 17783 2026 1 4 . 1 1 64 64 TYR N N 386 124.129 124.129 120.527 3.602 17783 2027 1 4 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.417 0.801 17783 2028 1 4 . 1 1 64 64 TYR C C 386 173.544 173.544 173.816 -0.272 17783 2029 1 4 . 1 1 64 64 TYR CA C 386 56.769 56.769 55.937 0.832 17783 2030 1 4 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.703 2.730 17783 2031 1 4 . 1 1 64 64 TYR H H 386 7.954 7.954 7.370 0.584 17783 2032 1 4 . 1 1 65 65 VAL N N 387 121.167 121.167 121.562 -0.395 17783 2033 1 4 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.430 -0.567 17783 2034 1 4 . 1 1 65 65 VAL C C 387 172.675 172.675 174.406 -1.731 17783 2035 1 4 . 1 1 65 65 VAL CA C 387 61.257 61.257 59.726 1.531 17783 2036 1 4 . 1 1 65 65 VAL CB C 387 34.133 34.133 34.426 -0.293 17783 2037 1 4 . 1 1 65 65 VAL H H 387 8.409 8.409 7.606 0.803 17783 2038 1 4 . 1 1 66 66 LEU N N 388 127.479 127.479 126.979 0.500 17783 2039 1 4 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.936 0.487 17783 2040 1 4 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.747 -0.251 17783 2041 1 4 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.017 1.738 17783 2042 1 4 . 1 1 66 66 LEU H H 388 8.200 8.200 8.784 -0.584 17783 2043 1 4 . 1 1 67 67 VAL N N 389 120.778 120.778 118.634 2.144 17783 2044 1 4 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.609 1.231 17783 2045 1 4 . 1 1 67 67 VAL C C 389 174.934 174.934 175.565 -0.631 17783 2046 1 4 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.145 -2.318 17783 2047 1 4 . 1 1 67 67 VAL CB C 389 33.693 33.693 33.455 0.238 17783 2048 1 4 . 1 1 67 67 VAL H H 389 9.314 9.314 8.438 0.876 17783 2049 1 4 . 1 1 68 68 SER N N 390 113.588 113.588 116.639 -3.051 17783 2050 1 4 . 1 1 68 68 SER HA H 390 4.850 4.850 4.711 0.139 17783 2051 1 4 . 1 1 68 68 SER C C 390 174.691 174.691 175.326 -0.635 17783 2052 1 4 . 1 1 68 68 SER CA C 390 58.213 58.213 57.242 0.971 17783 2053 1 4 . 1 1 68 68 SER CB C 390 66.007 66.007 63.218 2.789 17783 2054 1 4 . 1 1 68 68 SER H H 390 8.803 8.803 8.398 0.405 17783 2055 1 4 . 1 1 69 69 GLY N N 391 115.161 115.161 116.459 -1.298 17783 2056 1 4 . 1 1 69 69 GLY C C 391 172.208 172.208 172.945 -0.737 17783 2057 1 4 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.706 -1.381 17783 2058 1 4 . 1 1 69 69 GLY H H 391 8.436 8.436 8.498 -0.062 17783 2059 1 4 . 1 1 70 70 VAL N N 392 117.033 117.033 116.658 0.375 17783 2060 1 4 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.270 0.210 17783 2061 1 4 . 1 1 70 70 VAL C C 392 174.635 174.635 173.993 0.642 17783 2062 1 4 . 1 1 70 70 VAL CA C 392 62.203 62.203 60.368 1.835 17783 2063 1 4 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.946 0.291 17783 2064 1 4 . 1 1 70 70 VAL H H 392 7.188 7.188 7.467 -0.279 17783 2065 1 4 . 1 1 71 71 TYR N N 393 124.867 124.867 124.519 0.348 17783 2066 1 4 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.693 0.108 17783 2067 1 4 . 1 1 71 71 TYR C C 393 175.550 175.550 176.737 -1.187 17783 2068 1 4 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.580 -1.295 17783 2069 1 4 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.779 2.764 17783 2070 1 4 . 1 1 71 71 TYR H H 393 9.517 9.517 8.165 1.352 17783 2071 1 4 . 1 1 72 72 ALA N N 394 124.217 124.217 127.004 -2.787 17783 2072 1 4 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.774 -1.003 17783 2073 1 4 . 1 1 72 72 ALA C C 394 175.911 175.911 178.242 -2.331 17783 2074 1 4 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.772 -1.515 17783 2075 1 4 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.790 0.231 17783 2076 1 4 . 1 1 72 72 ALA H H 394 8.984 8.984 8.786 0.198 17783 2077 1 4 . 1 1 73 73 SER N N 395 106.325 106.325 109.467 -3.142 17783 2078 1 4 . 1 1 73 73 SER HA H 395 4.769 4.769 4.773 -0.004 17783 2079 1 4 . 1 1 73 73 SER C C 395 173.686 173.686 174.275 -0.589 17783 2080 1 4 . 1 1 73 73 SER CA C 395 56.031 56.031 56.718 -0.687 17783 2081 1 4 . 1 1 73 73 SER CB C 395 66.773 66.773 64.255 2.518 17783 2082 1 4 . 1 1 73 73 SER H H 395 7.251 7.251 7.721 -0.470 17783 2083 1 4 . 1 1 74 74 LYS N N 396 123.531 123.531 120.195 3.336 17783 2084 1 4 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.618 -0.724 17783 2085 1 4 . 1 1 74 74 LYS C C 396 178.040 178.040 177.686 0.354 17783 2086 1 4 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.087 1.456 17783 2087 1 4 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.917 -0.281 17783 2088 1 4 . 1 1 74 74 LYS H H 396 8.742 8.742 8.422 0.320 17783 2089 1 4 . 1 1 75 75 GLU N N 397 118.740 118.740 119.347 -0.607 17783 2090 1 4 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.896 -0.082 17783 2091 1 4 . 1 1 75 75 GLU C C 397 179.136 179.136 179.125 0.011 17783 2092 1 4 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.313 0.764 17783 2093 1 4 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.128 -0.380 17783 2094 1 4 . 1 1 75 75 GLU H H 397 8.529 8.529 7.625 0.904 17783 2095 1 4 . 1 1 76 76 GLU N N 398 119.987 119.987 119.638 0.349 17783 2096 1 4 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.086 -0.251 17783 2097 1 4 . 1 1 76 76 GLU C C 398 178.564 178.564 177.499 1.065 17783 2098 1 4 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.598 0.764 17783 2099 1 4 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.074 1.357 17783 2100 1 4 . 1 1 76 76 GLU H H 398 7.804 7.804 8.610 -0.806 17783 2101 1 4 . 1 1 77 77 ALA N N 399 122.630 122.630 120.913 1.717 17783 2102 1 4 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.711 -1.123 17783 2103 1 4 . 1 1 77 77 ALA C C 399 177.764 177.764 178.952 -1.188 17783 2104 1 4 . 1 1 77 77 ALA CA C 399 54.361 54.361 53.719 0.642 17783 2105 1 4 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.197 -0.532 17783 2106 1 4 . 1 1 77 77 ALA H H 399 7.294 7.294 7.344 -0.050 17783 2107 1 4 . 1 1 78 78 LYS N N 400 115.403 115.403 120.158 -4.755 17783 2108 1 4 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.952 -0.182 17783 2109 1 4 . 1 1 78 78 LYS C C 400 180.700 180.700 178.164 2.536 17783 2110 1 4 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.143 0.399 17783 2111 1 4 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.422 -0.589 17783 2112 1 4 . 1 1 78 78 LYS H H 400 8.001 8.001 7.964 0.037 17783 2113 1 4 . 1 1 79 79 LYS N N 401 119.756 119.756 116.078 3.678 17783 2114 1 4 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.267 -0.298 17783 2115 1 4 . 1 1 79 79 LYS C C 401 178.347 178.347 178.515 -0.168 17783 2116 1 4 . 1 1 79 79 LYS CA C 401 58.976 58.976 57.714 1.262 17783 2117 1 4 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.616 -0.318 17783 2118 1 4 . 1 1 79 79 LYS H H 401 7.788 7.788 7.481 0.307 17783 2119 1 4 . 1 1 80 80 ALA N N 402 120.725 120.725 124.675 -3.950 17783 2120 1 4 . 1 1 80 80 ALA HA H 402 4.143 4.143 3.934 0.209 17783 2121 1 4 . 1 1 80 80 ALA C C 402 180.118 180.118 179.175 0.943 17783 2122 1 4 . 1 1 80 80 ALA CA C 402 53.772 53.772 55.062 -1.290 17783 2123 1 4 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.587 0.882 17783 2124 1 4 . 1 1 80 80 ALA H H 402 7.334 7.334 7.506 -0.172 17783 2125 1 4 . 1 1 81 81 VAL N N 403 120.431 120.431 117.267 3.164 17783 2126 1 4 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.649 -0.287 17783 2127 1 4 . 1 1 81 81 VAL C C 403 177.205 177.205 177.560 -0.355 17783 2128 1 4 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.087 1.641 17783 2129 1 4 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.510 0.223 17783 2130 1 4 . 1 1 81 81 VAL H H 403 7.480 7.480 7.578 -0.098 17783 2131 1 4 . 1 1 82 82 SER N N 404 110.126 110.126 113.016 -2.890 17783 2132 1 4 . 1 1 82 82 SER HA H 404 4.143 4.143 4.404 -0.261 17783 2133 1 4 . 1 1 82 82 SER C C 404 174.813 174.813 175.308 -0.495 17783 2134 1 4 . 1 1 82 82 SER CA C 404 60.751 60.751 59.622 1.129 17783 2135 1 4 . 1 1 82 82 SER CB C 404 63.287 63.287 62.808 0.479 17783 2136 1 4 . 1 1 82 82 SER H H 404 7.326 7.326 8.368 -1.042 17783 2137 1 4 . 1 1 83 83 THR N N 405 110.438 110.438 115.272 -4.834 17783 2138 1 4 . 1 1 83 83 THR HA H 405 4.461 4.461 4.296 0.165 17783 2139 1 4 . 1 1 83 83 THR C C 405 175.081 175.081 174.910 0.171 17783 2140 1 4 . 1 1 83 83 THR CA C 405 61.761 61.761 62.517 -0.755 17783 2141 1 4 . 1 1 83 83 THR CB C 405 69.795 69.795 69.274 0.521 17783 2142 1 4 . 1 1 83 83 THR H H 405 7.634 7.634 8.109 -0.475 17783 2143 1 4 . 1 1 84 84 LEU N N 406 123.244 123.244 124.501 -1.257 17783 2144 1 4 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.528 0.112 17783 2145 1 4 . 1 1 84 84 LEU C C 406 174.599 174.599 175.560 -0.961 17783 2146 1 4 . 1 1 84 84 LEU CA C 406 53.295 53.295 52.992 0.303 17783 2147 1 4 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.308 -0.599 17783 2148 1 4 . 1 1 84 84 LEU H H 406 7.478 7.478 7.467 0.011 17783 2149 1 4 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.554 -0.061 17783 2150 1 4 . 1 1 85 85 PRO C C 407 177.743 177.743 177.485 0.258 17783 2151 1 4 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.145 0.999 17783 2152 1 4 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.497 0.424 17783 2153 1 4 . 1 1 86 86 ALA N N 408 128.809 128.809 122.452 6.357 17783 2154 1 4 . 1 1 86 86 ALA HA H 408 3.946 3.946 3.993 -0.047 17783 2155 1 4 . 1 1 86 86 ALA C C 408 180.517 180.517 179.535 0.982 17783 2156 1 4 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.316 1.189 17783 2157 1 4 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.369 -0.024 17783 2158 1 4 . 1 1 86 86 ALA H H 408 9.168 9.168 8.547 0.621 17783 2159 1 4 . 1 1 87 87 ASP N N 409 116.520 116.520 118.207 -1.687 17783 2160 1 4 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.434 0.028 17783 2161 1 4 . 1 1 87 87 ASP C C 409 178.081 178.081 178.637 -0.556 17783 2162 1 4 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.658 -0.723 17783 2163 1 4 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.601 -0.242 17783 2164 1 4 . 1 1 87 87 ASP H H 409 9.359 9.359 8.571 0.788 17783 2165 1 4 . 1 1 88 88 VAL N N 410 117.452 117.452 117.219 0.233 17783 2166 1 4 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.073 0.016 17783 2167 1 4 . 1 1 88 88 VAL C C 410 178.675 178.675 178.656 0.019 17783 2168 1 4 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.342 -0.467 17783 2169 1 4 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.864 -0.579 17783 2170 1 4 . 1 1 88 88 VAL H H 410 7.355 7.355 7.389 -0.034 17783 2171 1 4 . 1 1 89 89 GLN N N 411 119.387 119.387 118.606 0.781 17783 2172 1 4 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.085 -0.441 17783 2173 1 4 . 1 1 89 89 GLN C C 411 179.168 179.168 177.656 1.512 17783 2174 1 4 . 1 1 89 89 GLN CA C 411 60.712 60.712 57.455 3.257 17783 2175 1 4 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.441 0.069 17783 2176 1 4 . 1 1 89 89 GLN H H 411 8.271 8.271 8.373 -0.102 17783 2177 1 4 . 1 1 90 90 ALA N N 412 118.634 118.634 122.930 -4.296 17783 2178 1 4 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.216 0.049 17783 2179 1 4 . 1 1 90 90 ALA C C 412 177.949 177.949 178.278 -0.329 17783 2180 1 4 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.477 -0.535 17783 2181 1 4 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.692 -0.365 17783 2182 1 4 . 1 1 90 90 ALA H H 412 7.794 7.794 7.804 -0.010 17783 2183 1 4 . 1 1 91 91 LYS N N 413 115.842 115.842 117.427 -1.585 17783 2184 1 4 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.190 0.142 17783 2185 1 4 . 1 1 91 91 LYS C C 413 175.829 175.829 175.846 -0.017 17783 2186 1 4 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.318 0.052 17783 2187 1 4 . 1 1 91 91 LYS CB C 413 31.484 31.484 30.753 0.731 17783 2188 1 4 . 1 1 91 91 LYS H H 413 7.398 7.398 7.890 -0.492 17783 2189 1 4 . 1 1 92 92 ASN N N 414 113.776 113.776 117.355 -3.579 17783 2190 1 4 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.497 0.039 17783 2191 1 4 . 1 1 92 92 ASN C C 414 171.075 171.075 173.578 -2.503 17783 2192 1 4 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.613 0.450 17783 2193 1 4 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.929 0.152 17783 2194 1 4 . 1 1 92 92 ASN H H 414 8.178 8.178 7.745 0.433 17783 2195 1 4 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.459 0.543 17783 2196 1 4 . 1 1 93 93 PRO C C 415 175.682 175.682 176.315 -0.633 17783 2197 1 4 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.752 -0.262 17783 2198 1 4 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.264 1.321 17783 2199 1 4 . 1 1 94 94 TRP N N 416 117.925 117.925 120.205 -2.280 17783 2200 1 4 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.766 0.251 17783 2201 1 4 . 1 1 94 94 TRP C C 416 173.607 173.607 174.599 -0.992 17783 2202 1 4 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.625 -0.630 17783 2203 1 4 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.807 1.700 17783 2204 1 4 . 1 1 94 94 TRP H H 416 7.921 7.921 7.929 -0.008 17783 2205 1 4 . 1 1 95 95 ALA N N 417 123.924 123.924 124.411 -0.487 17783 2206 1 4 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.249 0.506 17783 2207 1 4 . 1 1 95 95 ALA C C 417 174.171 174.171 176.387 -2.216 17783 2208 1 4 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.643 -1.006 17783 2209 1 4 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.592 -0.124 17783 2210 1 4 . 1 1 95 95 ALA H H 417 8.878 8.878 8.369 0.509 17783 2211 1 4 . 1 1 96 96 LYS N N 418 129.441 129.441 120.111 9.330 17783 2212 1 4 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.562 0.459 17783 2213 1 4 . 1 1 96 96 LYS C C 418 173.451 173.451 173.702 -0.251 17783 2214 1 4 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.567 -1.003 17783 2215 1 4 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.734 3.249 17783 2216 1 4 . 1 1 96 96 LYS H H 418 9.235 9.235 8.465 0.770 17783 2217 1 4 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.223 -0.459 17783 2218 1 4 . 1 1 97 97 PRO C C 419 178.893 178.893 177.780 1.113 17783 2219 1 4 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.171 -0.276 17783 2220 1 4 . 1 1 97 97 PRO CB C 419 32.720 32.720 31.998 0.722 17783 2221 1 4 . 1 1 98 98 LEU N N 420 126.746 126.746 125.179 1.567 17783 2222 1 4 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.003 -0.200 17783 2223 1 4 . 1 1 98 98 LEU C C 420 179.040 179.040 178.460 0.580 17783 2224 1 4 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.919 0.449 17783 2225 1 4 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.364 -1.423 17783 2226 1 4 . 1 1 98 98 LEU H H 420 9.179 9.179 8.587 0.592 17783 2227 1 4 . 1 1 99 99 ARG N N 421 118.262 118.262 118.726 -0.464 17783 2228 1 4 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.878 0.181 17783 2229 1 4 . 1 1 99 99 ARG C C 421 178.140 178.140 177.938 0.202 17783 2230 1 4 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.944 0.149 17783 2231 1 4 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.630 0.326 17783 2232 1 4 . 1 1 99 99 ARG H H 421 8.014 8.014 8.324 -0.310 17783 2233 1 4 . 1 1 100 100 GLN N N 422 116.539 116.539 117.161 -0.622 17783 2234 1 4 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.166 0.044 17783 2235 1 4 . 1 1 100 100 GLN C C 422 177.594 177.594 178.105 -0.511 17783 2236 1 4 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.251 -0.518 17783 2237 1 4 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.264 -0.086 17783 2238 1 4 . 1 1 100 100 GLN H H 422 7.258 7.258 7.593 -0.335 17783 2239 1 4 . 1 1 101 101 VAL N N 423 119.665 119.665 120.784 -1.119 17783 2240 1 4 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.620 -0.072 17783 2241 1 4 . 1 1 101 101 VAL C C 423 177.040 177.040 178.128 -1.088 17783 2242 1 4 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.815 -0.368 17783 2243 1 4 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.072 1.481 17783 2244 1 4 . 1 1 101 101 VAL H H 423 7.090 7.090 7.999 -0.909 17783 2245 1 4 . 1 1 102 102 GLN N N 424 115.032 115.032 117.984 -2.952 17783 2246 1 4 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.940 -0.375 17783 2247 1 4 . 1 1 102 102 GLN C C 424 177.994 177.994 177.490 0.504 17783 2248 1 4 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.058 0.825 17783 2249 1 4 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.110 -1.050 17783 2250 1 4 . 1 1 102 102 GLN H H 424 8.553 8.553 7.742 0.811 17783 2251 1 4 . 1 1 103 103 ALA N N 425 120.742 120.742 123.135 -2.393 17783 2252 1 4 . 1 1 103 103 ALA HA H 425 4.158 4.158 3.991 0.167 17783 2253 1 4 . 1 1 103 103 ALA C C 425 178.545 178.545 179.548 -1.003 17783 2254 1 4 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.957 -0.682 17783 2255 1 4 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.620 -0.298 17783 2256 1 4 . 1 1 103 103 ALA H H 425 7.366 7.366 8.250 -0.884 17783 2257 1 4 . 1 1 104 104 ASP N N 426 117.066 117.066 119.557 -2.491 17783 2258 1 4 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.347 0.361 17783 2259 1 4 . 1 1 104 104 ASP C C 426 176.876 176.876 177.619 -0.743 17783 2260 1 4 . 1 1 104 104 ASP CA C 426 55.223 55.223 56.531 -1.308 17783 2261 1 4 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.207 2.293 17783 2262 1 4 . 1 1 104 104 ASP H H 426 7.628 7.628 8.027 -0.399 17783 2263 1 4 . 1 1 105 105 LEU N N 427 119.853 119.853 120.357 -0.504 17783 2264 1 4 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.344 -0.045 17783 2265 1 4 . 1 1 105 105 LEU C C 427 176.118 176.118 176.581 -0.463 17783 2266 1 4 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.589 0.397 17783 2267 1 4 . 1 1 105 105 LEU CB C 427 42.078 42.078 41.343 0.735 17783 2268 1 4 . 1 1 105 105 LEU H H 427 7.242 7.242 7.841 -0.599 17783 2269 1 5 . 1 1 2 2 ARG N N 324 121.883 121.883 120.487 1.396 17783 2270 1 5 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.548 -0.204 17783 2271 1 5 . 1 1 2 2 ARG C C 324 176.887 176.887 176.079 0.808 17783 2272 1 5 . 1 1 2 2 ARG CA C 324 56.505 56.505 55.734 0.771 17783 2273 1 5 . 1 1 2 2 ARG CB C 324 30.734 30.734 31.155 -0.421 17783 2274 1 5 . 1 1 2 2 ARG H H 324 8.373 8.373 8.649 -0.276 17783 2275 1 5 . 1 1 3 3 GLY N N 325 111.231 111.231 111.227 0.004 17783 2276 1 5 . 1 1 3 3 GLY C C 325 174.037 174.037 174.609 -0.572 17783 2277 1 5 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.829 -0.601 17783 2278 1 5 . 1 1 3 3 GLY H H 325 8.683 8.683 8.217 0.466 17783 2279 1 5 . 1 1 4 4 SER N N 326 115.541 115.541 116.664 -1.123 17783 2280 1 5 . 1 1 4 4 SER HA H 326 4.377 4.377 4.405 -0.028 17783 2281 1 5 . 1 1 4 4 SER C C 326 174.454 174.454 173.971 0.483 17783 2282 1 5 . 1 1 4 4 SER CA C 326 58.315 58.315 58.145 0.170 17783 2283 1 5 . 1 1 4 4 SER CB C 326 63.902 63.902 63.545 0.357 17783 2284 1 5 . 1 1 4 4 SER H H 326 8.237 8.237 8.550 -0.313 17783 2285 1 5 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.301 0.279 17783 2286 1 5 . 1 1 10 10 HIS C C 332 175.292 175.292 175.858 -0.566 17783 2287 1 5 . 1 1 10 10 HIS CA C 332 55.946 55.946 54.744 1.202 17783 2288 1 5 . 1 1 10 10 HIS CB C 332 30.123 30.123 28.256 1.867 17783 2289 1 5 . 1 1 11 11 GLY N N 333 110.527 110.527 108.814 1.713 17783 2290 1 5 . 1 1 11 11 GLY C C 333 174.126 174.126 175.180 -1.054 17783 2291 1 5 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.255 0.072 17783 2292 1 5 . 1 1 11 11 GLY H H 333 8.540 8.540 7.990 0.550 17783 2293 1 5 . 1 1 12 12 SER N N 334 115.752 115.752 121.132 -5.380 17783 2294 1 5 . 1 1 12 12 SER HA H 334 4.436 4.436 4.386 0.050 17783 2295 1 5 . 1 1 12 12 SER C C 334 174.538 174.538 174.498 0.040 17783 2296 1 5 . 1 1 12 12 SER CA C 334 58.486 58.486 57.867 0.619 17783 2297 1 5 . 1 1 12 12 SER CB C 334 63.927 63.927 61.975 1.952 17783 2298 1 5 . 1 1 12 12 SER H H 334 8.356 8.356 8.645 -0.289 17783 2299 1 5 . 1 1 13 13 ASN N N 335 120.410 120.410 123.222 -2.812 17783 2300 1 5 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.514 0.215 17783 2301 1 5 . 1 1 13 13 ASN C C 335 175.116 175.116 175.556 -0.440 17783 2302 1 5 . 1 1 13 13 ASN CA C 335 53.386 53.386 54.529 -1.143 17783 2303 1 5 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.607 0.061 17783 2304 1 5 . 1 1 13 13 ASN H H 335 8.575 8.575 8.681 -0.106 17783 2305 1 5 . 1 1 14 14 ASN N N 336 119.094 119.094 117.922 1.172 17783 2306 1 5 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.350 0.379 17783 2307 1 5 . 1 1 14 14 ASN C C 336 175.395 175.395 174.870 0.525 17783 2308 1 5 . 1 1 14 14 ASN CA C 336 53.385 53.385 54.022 -0.637 17783 2309 1 5 . 1 1 14 14 ASN CB C 336 38.669 38.669 37.400 1.269 17783 2310 1 5 . 1 1 14 14 ASN H H 336 8.447 8.447 8.480 -0.033 17783 2311 1 5 . 1 1 15 15 ASN N N 337 118.915 118.915 119.193 -0.278 17783 2312 1 5 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.449 0.085 17783 2313 1 5 . 1 1 15 15 ASN C C 337 176.390 176.390 176.358 0.032 17783 2314 1 5 . 1 1 15 15 ASN CA C 337 53.991 53.991 54.686 -0.695 17783 2315 1 5 . 1 1 15 15 ASN CB C 337 38.621 38.621 37.830 0.791 17783 2316 1 5 . 1 1 15 15 ASN H H 337 8.446 8.446 8.288 0.158 17783 2317 1 5 . 1 1 16 16 GLY N N 338 108.851 108.851 107.217 1.634 17783 2318 1 5 . 1 1 16 16 GLY C C 338 175.459 175.459 175.706 -0.247 17783 2319 1 5 . 1 1 16 16 GLY CA C 338 46.752 46.752 46.285 0.467 17783 2320 1 5 . 1 1 16 16 GLY H H 338 8.454 8.454 8.641 -0.187 17783 2321 1 5 . 1 1 17 17 SER N N 339 116.218 116.218 115.299 0.919 17783 2322 1 5 . 1 1 17 17 SER HA H 339 4.229 4.229 4.369 -0.140 17783 2323 1 5 . 1 1 17 17 SER C C 339 175.869 175.869 175.614 0.255 17783 2324 1 5 . 1 1 17 17 SER CA C 339 59.759 59.759 59.836 -0.077 17783 2325 1 5 . 1 1 17 17 SER CB C 339 62.973 62.973 63.508 -0.535 17783 2326 1 5 . 1 1 17 17 SER H H 339 8.170 8.170 7.810 0.360 17783 2327 1 5 . 1 1 18 18 LEU N N 340 121.515 121.515 121.589 -0.074 17783 2328 1 5 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.266 -0.264 17783 2329 1 5 . 1 1 18 18 LEU C C 340 178.399 178.399 178.500 -0.101 17783 2330 1 5 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.806 0.345 17783 2331 1 5 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.738 0.338 17783 2332 1 5 . 1 1 18 18 LEU H H 340 7.790 7.790 8.156 -0.366 17783 2333 1 5 . 1 1 19 19 LYS N N 341 117.145 117.145 117.110 0.035 17783 2334 1 5 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.111 -0.303 17783 2335 1 5 . 1 1 19 19 LYS C C 341 176.960 176.960 177.094 -0.134 17783 2336 1 5 . 1 1 19 19 LYS CA C 341 59.192 59.192 57.676 1.516 17783 2337 1 5 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.068 0.725 17783 2338 1 5 . 1 1 19 19 LYS H H 341 7.893 7.893 7.629 0.264 17783 2339 1 5 . 1 1 20 20 SER N N 342 110.377 110.377 114.565 -4.188 17783 2340 1 5 . 1 1 20 20 SER HA H 342 4.369 4.369 4.245 0.124 17783 2341 1 5 . 1 1 20 20 SER C C 342 173.735 173.735 174.892 -1.157 17783 2342 1 5 . 1 1 20 20 SER CA C 342 58.141 58.141 59.701 -1.560 17783 2343 1 5 . 1 1 20 20 SER CB C 342 63.900 63.900 63.144 0.756 17783 2344 1 5 . 1 1 20 20 SER H H 342 7.546 7.546 7.481 0.065 17783 2345 1 5 . 1 1 21 21 ALA N N 343 125.662 125.662 125.435 0.227 17783 2346 1 5 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.472 -0.110 17783 2347 1 5 . 1 1 21 21 ALA C C 343 174.051 174.051 175.452 -1.401 17783 2348 1 5 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.525 1.047 17783 2349 1 5 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.715 -0.581 17783 2350 1 5 . 1 1 21 21 ALA H H 343 6.852 6.852 7.434 -0.582 17783 2351 1 5 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.362 -0.124 17783 2352 1 5 . 1 1 22 22 PRO C C 344 178.184 178.184 176.647 1.537 17783 2353 1 5 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.803 0.279 17783 2354 1 5 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.620 0.984 17783 2355 1 5 . 1 1 23 23 SER N N 345 118.662 118.662 118.782 -0.120 17783 2356 1 5 . 1 1 23 23 SER HA H 345 3.825 3.825 4.108 -0.283 17783 2357 1 5 . 1 1 23 23 SER C C 345 174.231 174.231 175.357 -1.126 17783 2358 1 5 . 1 1 23 23 SER CA C 345 60.892 60.892 59.199 1.693 17783 2359 1 5 . 1 1 23 23 SER CB C 345 63.223 63.223 62.857 0.366 17783 2360 1 5 . 1 1 23 23 SER H H 345 8.566 8.566 8.301 0.265 17783 2361 1 5 . 1 1 24 24 SER N N 346 111.938 111.938 115.854 -3.916 17783 2362 1 5 . 1 1 24 24 SER HA H 346 4.383 4.383 4.400 -0.017 17783 2363 1 5 . 1 1 24 24 SER C C 346 175.152 175.152 175.040 0.112 17783 2364 1 5 . 1 1 24 24 SER CA C 346 58.247 58.247 58.827 -0.580 17783 2365 1 5 . 1 1 24 24 SER CB C 346 63.958 63.958 63.285 0.673 17783 2366 1 5 . 1 1 24 24 SER H H 346 7.675 7.675 7.756 -0.081 17783 2367 1 5 . 1 1 25 25 HIS N N 347 122.882 122.882 121.559 1.323 17783 2368 1 5 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.292 0.558 17783 2369 1 5 . 1 1 25 25 HIS C C 347 173.574 173.574 174.297 -0.723 17783 2370 1 5 . 1 1 25 25 HIS CA C 347 56.075 56.075 56.596 -0.520 17783 2371 1 5 . 1 1 25 25 HIS CB C 347 31.848 31.848 29.378 2.470 17783 2372 1 5 . 1 1 25 25 HIS H H 347 7.628 7.628 7.589 0.039 17783 2373 1 5 . 1 1 26 26 TYR N N 348 117.921 117.921 125.299 -7.378 17783 2374 1 5 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.701 0.288 17783 2375 1 5 . 1 1 26 26 TYR C C 348 174.086 174.086 175.079 -0.993 17783 2376 1 5 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.903 -0.716 17783 2377 1 5 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.174 2.660 17783 2378 1 5 . 1 1 26 26 TYR H H 348 9.606 9.606 8.413 1.193 17783 2379 1 5 . 1 1 27 27 THR N N 349 115.914 115.914 113.768 2.146 17783 2380 1 5 . 1 1 27 27 THR HA H 349 5.027 5.027 4.763 0.265 17783 2381 1 5 . 1 1 27 27 THR C C 349 172.904 172.904 172.287 0.617 17783 2382 1 5 . 1 1 27 27 THR CA C 349 58.835 58.835 60.748 -1.913 17783 2383 1 5 . 1 1 27 27 THR CB C 349 70.587 70.587 70.782 -0.195 17783 2384 1 5 . 1 1 27 27 THR H H 349 8.974 8.974 8.351 0.623 17783 2385 1 5 . 1 1 28 28 LEU N N 350 123.392 123.392 121.277 2.115 17783 2386 1 5 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.764 0.225 17783 2387 1 5 . 1 1 28 28 LEU C C 350 176.111 176.111 175.085 1.026 17783 2388 1 5 . 1 1 28 28 LEU CA C 350 53.098 53.098 53.099 -0.001 17783 2389 1 5 . 1 1 28 28 LEU CB C 350 44.870 44.870 45.739 -0.869 17783 2390 1 5 . 1 1 28 28 LEU H H 350 8.249 8.249 8.876 -0.627 17783 2391 1 5 . 1 1 29 29 GLN N N 351 122.797 122.797 119.355 3.442 17783 2392 1 5 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.507 0.046 17783 2393 1 5 . 1 1 29 29 GLN C C 351 175.435 175.435 175.132 0.303 17783 2394 1 5 . 1 1 29 29 GLN CA C 351 55.943 55.943 55.654 0.290 17783 2395 1 5 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.486 -3.255 17783 2396 1 5 . 1 1 29 29 GLN H H 351 8.915 8.915 7.932 0.983 17783 2397 1 5 . 1 1 30 30 LEU N N 352 125.239 125.239 120.971 4.268 17783 2398 1 5 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.817 -0.450 17783 2399 1 5 . 1 1 30 30 LEU C C 352 177.250 177.250 176.337 0.913 17783 2400 1 5 . 1 1 30 30 LEU CA C 352 56.101 56.101 55.587 0.514 17783 2401 1 5 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.877 -0.777 17783 2402 1 5 . 1 1 30 30 LEU H H 352 8.920 8.920 8.806 0.114 17783 2403 1 5 . 1 1 31 31 SER N N 353 106.816 106.816 110.140 -3.324 17783 2404 1 5 . 1 1 31 31 SER HA H 353 4.493 4.493 4.559 -0.066 17783 2405 1 5 . 1 1 31 31 SER C C 353 171.831 171.831 172.325 -0.494 17783 2406 1 5 . 1 1 31 31 SER CA C 353 57.160 57.160 57.606 -0.446 17783 2407 1 5 . 1 1 31 31 SER CB C 353 64.360 64.360 63.964 0.396 17783 2408 1 5 . 1 1 31 31 SER H H 353 7.548 7.548 8.112 -0.564 17783 2409 1 5 . 1 1 32 32 SER N N 354 113.518 113.518 114.115 -0.597 17783 2410 1 5 . 1 1 32 32 SER HA H 354 5.026 5.026 4.074 0.952 17783 2411 1 5 . 1 1 32 32 SER C C 354 172.512 172.512 171.544 0.968 17783 2412 1 5 . 1 1 32 32 SER CA C 354 57.285 57.285 56.645 0.640 17783 2413 1 5 . 1 1 32 32 SER CB C 354 65.347 65.347 64.183 1.164 17783 2414 1 5 . 1 1 32 32 SER H H 354 8.127 8.127 8.085 0.042 17783 2415 1 5 . 1 1 33 33 SER N N 355 114.624 114.624 114.797 -0.173 17783 2416 1 5 . 1 1 33 33 SER HA H 355 4.106 4.106 4.270 -0.164 17783 2417 1 5 . 1 1 33 33 SER C C 355 171.639 171.639 171.577 0.062 17783 2418 1 5 . 1 1 33 33 SER CA C 355 57.276 57.276 57.802 -0.526 17783 2419 1 5 . 1 1 33 33 SER CB C 355 64.539 64.539 64.674 -0.135 17783 2420 1 5 . 1 1 33 33 SER H H 355 8.616 8.616 6.215 2.401 17783 2421 1 5 . 1 1 34 34 SER N N 356 116.467 116.467 115.515 0.952 17783 2422 1 5 . 1 1 34 34 SER HA H 356 4.241 4.241 4.844 -0.603 17783 2423 1 5 . 1 1 34 34 SER C C 356 173.820 173.820 173.040 0.780 17783 2424 1 5 . 1 1 34 34 SER CA C 356 59.074 59.074 57.650 1.424 17783 2425 1 5 . 1 1 34 34 SER CB C 356 63.741 63.741 63.599 0.142 17783 2426 1 5 . 1 1 34 34 SER H H 356 8.132 8.132 8.319 -0.187 17783 2427 1 5 . 1 1 35 35 ASN N N 357 122.206 122.206 119.301 2.905 17783 2428 1 5 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.012 -0.091 17783 2429 1 5 . 1 1 35 35 ASN C C 357 172.965 172.965 173.844 -0.879 17783 2430 1 5 . 1 1 35 35 ASN CA C 357 52.447 52.447 52.993 -0.546 17783 2431 1 5 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.404 0.521 17783 2432 1 5 . 1 1 35 35 ASN H H 357 8.511 8.511 8.167 0.344 17783 2433 1 5 . 1 1 36 36 TYR N N 358 127.519 127.519 124.813 2.706 17783 2434 1 5 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.072 -1.100 17783 2435 1 5 . 1 1 36 36 TYR C C 358 176.522 176.522 176.533 -0.011 17783 2436 1 5 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.752 0.217 17783 2437 1 5 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.679 -0.968 17783 2438 1 5 . 1 1 36 36 TYR H H 358 8.002 8.002 8.555 -0.553 17783 2439 1 5 . 1 1 37 37 ASP N N 359 118.658 118.658 118.957 -0.299 17783 2440 1 5 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.453 -0.309 17783 2441 1 5 . 1 1 37 37 ASP C C 359 179.804 179.804 177.341 2.463 17783 2442 1 5 . 1 1 37 37 ASP CA C 359 57.503 57.503 56.598 0.905 17783 2443 1 5 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.457 -0.279 17783 2444 1 5 . 1 1 37 37 ASP H H 359 8.033 8.033 8.736 -0.703 17783 2445 1 5 . 1 1 38 38 ASN N N 360 119.802 119.802 114.315 5.487 17783 2446 1 5 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.687 -0.384 17783 2447 1 5 . 1 1 38 38 ASN C C 360 177.720 177.720 176.646 1.074 17783 2448 1 5 . 1 1 38 38 ASN CA C 360 55.450 55.450 54.550 0.900 17783 2449 1 5 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.683 -0.920 17783 2450 1 5 . 1 1 38 38 ASN H H 360 8.380 8.380 8.071 0.309 17783 2451 1 5 . 1 1 39 39 LEU N N 361 121.625 121.625 122.339 -0.714 17783 2452 1 5 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.247 -0.150 17783 2453 1 5 . 1 1 39 39 LEU C C 361 177.738 177.738 177.192 0.546 17783 2454 1 5 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.874 -0.310 17783 2455 1 5 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.723 1.005 17783 2456 1 5 . 1 1 39 39 LEU H H 361 7.243 7.243 8.246 -1.003 17783 2457 1 5 . 1 1 40 40 ASN N N 362 116.601 116.601 117.410 -0.809 17783 2458 1 5 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.208 -0.063 17783 2459 1 5 . 1 1 40 40 ASN C C 362 177.253 177.253 177.212 0.041 17783 2460 1 5 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.336 0.191 17783 2461 1 5 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.202 2.124 17783 2462 1 5 . 1 1 40 40 ASN H H 362 8.284 8.284 7.860 0.424 17783 2463 1 5 . 1 1 41 41 GLY N N 363 104.958 104.958 108.448 -3.490 17783 2464 1 5 . 1 1 41 41 GLY C C 363 176.323 176.323 175.954 0.369 17783 2465 1 5 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.647 0.192 17783 2466 1 5 . 1 1 41 41 GLY H H 363 8.334 8.334 8.345 -0.011 17783 2467 1 5 . 1 1 42 42 TRP N N 364 125.066 125.066 124.837 0.229 17783 2468 1 5 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.219 0.007 17783 2469 1 5 . 1 1 42 42 TRP C C 364 176.509 176.509 177.685 -1.176 17783 2470 1 5 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.862 0.627 17783 2471 1 5 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.226 -1.350 17783 2472 1 5 . 1 1 42 42 TRP H H 364 7.833 7.833 7.493 0.340 17783 2473 1 5 . 1 1 43 43 ALA N N 365 120.030 120.030 120.707 -0.677 17783 2474 1 5 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.279 -0.285 17783 2475 1 5 . 1 1 43 43 ALA C C 365 179.186 179.186 179.471 -0.285 17783 2476 1 5 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.225 -0.224 17783 2477 1 5 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.028 -0.940 17783 2478 1 5 . 1 1 43 43 ALA H H 365 7.701 7.701 8.582 -0.881 17783 2479 1 5 . 1 1 44 44 LYS N N 366 115.064 115.064 116.484 -1.420 17783 2480 1 5 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.953 0.080 17783 2481 1 5 . 1 1 44 44 LYS C C 366 180.830 180.830 178.812 2.018 17783 2482 1 5 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.395 0.596 17783 2483 1 5 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.426 -0.076 17783 2484 1 5 . 1 1 44 44 LYS H H 366 7.562 7.562 7.887 -0.325 17783 2485 1 5 . 1 1 45 45 LYS N N 367 123.180 123.180 120.393 2.787 17783 2486 1 5 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.023 -0.116 17783 2487 1 5 . 1 1 45 45 LYS C C 367 178.319 178.319 178.514 -0.195 17783 2488 1 5 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.705 0.339 17783 2489 1 5 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.403 -0.337 17783 2490 1 5 . 1 1 45 45 LYS H H 367 8.067 8.067 7.855 0.212 17783 2491 1 5 . 1 1 46 46 GLU N N 368 114.882 114.882 115.023 -0.141 17783 2492 1 5 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.066 -0.149 17783 2493 1 5 . 1 1 46 46 GLU C C 368 174.639 174.639 175.813 -1.174 17783 2494 1 5 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.624 -1.609 17783 2495 1 5 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.377 -1.700 17783 2496 1 5 . 1 1 46 46 GLU H H 368 7.488 7.488 7.540 -0.052 17783 2497 1 5 . 1 1 47 47 ASN N N 369 114.944 114.944 116.184 -1.240 17783 2498 1 5 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.257 0.015 17783 2499 1 5 . 1 1 47 47 ASN C C 369 174.759 174.759 174.576 0.183 17783 2500 1 5 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.565 0.140 17783 2501 1 5 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.863 0.196 17783 2502 1 5 . 1 1 47 47 ASN H H 369 7.772 7.772 7.417 0.355 17783 2503 1 5 . 1 1 48 48 LEU N N 370 116.008 116.008 118.389 -2.381 17783 2504 1 5 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.978 0.142 17783 2505 1 5 . 1 1 48 48 LEU C C 370 177.056 177.056 176.517 0.539 17783 2506 1 5 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.274 -0.156 17783 2507 1 5 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.385 0.532 17783 2508 1 5 . 1 1 48 48 LEU H H 370 7.463 7.463 7.609 -0.146 17783 2509 1 5 . 1 1 49 49 LYS N N 371 120.012 120.012 122.072 -2.060 17783 2510 1 5 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.403 0.157 17783 2511 1 5 . 1 1 49 49 LYS C C 371 176.481 176.481 177.033 -0.552 17783 2512 1 5 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.192 0.137 17783 2513 1 5 . 1 1 49 49 LYS CB C 371 34.555 34.555 32.999 1.556 17783 2514 1 5 . 1 1 49 49 LYS H H 371 8.518 8.518 8.167 0.351 17783 2515 1 5 . 1 1 50 50 ASN N N 372 117.610 117.610 119.271 -1.661 17783 2516 1 5 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.316 0.198 17783 2517 1 5 . 1 1 50 50 ASN C C 372 173.445 173.445 173.049 0.396 17783 2518 1 5 . 1 1 50 50 ASN CA C 372 53.437 53.437 53.736 -0.299 17783 2519 1 5 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.488 -0.556 17783 2520 1 5 . 1 1 50 50 ASN H H 372 8.734 8.734 8.832 -0.098 17783 2521 1 5 . 1 1 51 51 TYR N N 373 117.151 117.151 117.335 -0.184 17783 2522 1 5 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.423 -0.028 17783 2523 1 5 . 1 1 51 51 TYR C C 373 173.549 173.549 173.953 -0.404 17783 2524 1 5 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.842 -0.060 17783 2525 1 5 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.903 -0.492 17783 2526 1 5 . 1 1 51 51 TYR H H 373 7.570 7.570 7.709 -0.139 17783 2527 1 5 . 1 1 52 52 VAL N N 374 120.887 120.887 122.193 -1.306 17783 2528 1 5 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.320 -0.022 17783 2529 1 5 . 1 1 52 52 VAL C C 374 174.289 174.289 174.833 -0.544 17783 2530 1 5 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.443 0.271 17783 2531 1 5 . 1 1 52 52 VAL CB C 374 36.584 36.584 35.644 0.940 17783 2532 1 5 . 1 1 52 52 VAL H H 374 9.140 9.140 8.701 0.439 17783 2533 1 5 . 1 1 53 53 VAL N N 375 126.060 126.060 122.202 3.858 17783 2534 1 5 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.461 0.954 17783 2535 1 5 . 1 1 53 53 VAL C C 375 175.803 175.803 175.401 0.402 17783 2536 1 5 . 1 1 53 53 VAL CA C 375 60.656 60.656 61.701 -1.045 17783 2537 1 5 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.820 0.916 17783 2538 1 5 . 1 1 53 53 VAL H H 375 8.600 8.600 8.297 0.303 17783 2539 1 5 . 1 1 54 54 TYR N N 376 125.706 125.706 123.760 1.946 17783 2540 1 5 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.030 0.392 17783 2541 1 5 . 1 1 54 54 TYR C C 376 172.139 172.139 173.730 -1.591 17783 2542 1 5 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.817 -0.688 17783 2543 1 5 . 1 1 54 54 TYR CB C 376 41.657 41.657 39.768 1.889 17783 2544 1 5 . 1 1 54 54 TYR H H 376 9.292 9.292 7.937 1.355 17783 2545 1 5 . 1 1 55 55 GLU N N 377 122.063 122.063 120.371 1.692 17783 2546 1 5 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.296 0.418 17783 2547 1 5 . 1 1 55 55 GLU C C 377 175.011 175.011 175.446 -0.435 17783 2548 1 5 . 1 1 55 55 GLU CA C 377 55.143 55.143 56.078 -0.935 17783 2549 1 5 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.129 2.530 17783 2550 1 5 . 1 1 55 55 GLU H H 377 8.758 8.758 8.752 0.006 17783 2551 1 5 . 1 1 56 56 THR N N 378 122.855 122.855 114.733 8.122 17783 2552 1 5 . 1 1 56 56 THR HA H 378 4.848 4.848 4.556 0.292 17783 2553 1 5 . 1 1 56 56 THR C C 378 173.550 173.550 173.236 0.314 17783 2554 1 5 . 1 1 56 56 THR CA C 378 58.732 58.732 60.581 -1.849 17783 2555 1 5 . 1 1 56 56 THR CB C 378 70.181 70.181 71.253 -1.072 17783 2556 1 5 . 1 1 56 56 THR H H 378 9.160 9.160 7.298 1.862 17783 2557 1 5 . 1 1 57 57 THR N N 379 116.629 116.629 112.828 3.801 17783 2558 1 5 . 1 1 57 57 THR HA H 379 5.145 5.145 4.590 0.555 17783 2559 1 5 . 1 1 57 57 THR C C 379 173.973 173.973 173.186 0.787 17783 2560 1 5 . 1 1 57 57 THR CA C 379 60.517 60.517 60.718 -0.201 17783 2561 1 5 . 1 1 57 57 THR CB C 379 71.582 71.582 71.340 0.242 17783 2562 1 5 . 1 1 57 57 THR H H 379 8.677 8.677 8.244 0.433 17783 2563 1 5 . 1 1 58 58 ARG N N 380 124.546 124.546 125.920 -1.374 17783 2564 1 5 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.482 -0.174 17783 2565 1 5 . 1 1 58 58 ARG C C 380 176.074 176.074 174.352 1.722 17783 2566 1 5 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.820 -1.310 17783 2567 1 5 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.401 1.072 17783 2568 1 5 . 1 1 58 58 ARG H H 380 9.117 9.117 8.536 0.581 17783 2569 1 5 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.512 -0.206 17783 2570 1 5 . 1 1 59 59 ASN C C 381 175.444 175.444 175.358 0.086 17783 2571 1 5 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.517 0.720 17783 2572 1 5 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.835 -0.622 17783 2573 1 5 . 1 1 60 60 GLY N N 382 103.015 103.015 106.605 -3.590 17783 2574 1 5 . 1 1 60 60 GLY C C 382 173.488 173.488 173.617 -0.129 17783 2575 1 5 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.178 -0.705 17783 2576 1 5 . 1 1 60 60 GLY H H 382 8.639 8.639 8.638 0.001 17783 2577 1 5 . 1 1 61 61 GLN N N 383 119.903 119.903 117.911 1.992 17783 2578 1 5 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.476 0.524 17783 2579 1 5 . 1 1 61 61 GLN C C 383 172.730 172.730 173.495 -0.765 17783 2580 1 5 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.739 -0.048 17783 2581 1 5 . 1 1 61 61 GLN CB C 383 30.711 30.711 29.974 0.737 17783 2582 1 5 . 1 1 61 61 GLN H H 383 7.697 7.697 7.870 -0.173 17783 2583 1 5 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.370 0.244 17783 2584 1 5 . 1 1 62 62 PRO C C 384 175.576 175.576 175.392 0.184 17783 2585 1 5 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.672 1.330 17783 2586 1 5 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.983 0.562 17783 2587 1 5 . 1 1 63 63 TRP N N 385 126.621 126.621 123.247 3.374 17783 2588 1 5 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.727 -0.216 17783 2589 1 5 . 1 1 63 63 TRP C C 385 172.096 172.096 173.567 -1.471 17783 2590 1 5 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.345 0.737 17783 2591 1 5 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.866 1.308 17783 2592 1 5 . 1 1 63 63 TRP H H 385 8.063 8.063 7.424 0.639 17783 2593 1 5 . 1 1 64 64 TYR N N 386 124.129 124.129 124.238 -0.109 17783 2594 1 5 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.375 0.843 17783 2595 1 5 . 1 1 64 64 TYR C C 386 173.544 173.544 174.047 -0.503 17783 2596 1 5 . 1 1 64 64 TYR CA C 386 56.769 56.769 55.990 0.779 17783 2597 1 5 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.585 3.848 17783 2598 1 5 . 1 1 64 64 TYR H H 386 7.954 7.954 8.229 -0.275 17783 2599 1 5 . 1 1 65 65 VAL N N 387 121.167 121.167 120.644 0.523 17783 2600 1 5 . 1 1 65 65 VAL HA H 387 3.863 3.863 3.995 -0.132 17783 2601 1 5 . 1 1 65 65 VAL C C 387 172.675 172.675 174.610 -1.935 17783 2602 1 5 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.511 0.746 17783 2603 1 5 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.520 0.613 17783 2604 1 5 . 1 1 65 65 VAL H H 387 8.409 8.409 6.759 1.650 17783 2605 1 5 . 1 1 66 66 LEU N N 388 127.479 127.479 124.542 2.937 17783 2606 1 5 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.873 0.550 17783 2607 1 5 . 1 1 66 66 LEU CA C 388 53.496 53.496 52.984 0.512 17783 2608 1 5 . 1 1 66 66 LEU CB C 388 44.755 44.755 44.658 0.097 17783 2609 1 5 . 1 1 66 66 LEU H H 388 8.200 8.200 8.052 0.148 17783 2610 1 5 . 1 1 67 67 VAL N N 389 120.778 120.778 112.846 7.932 17783 2611 1 5 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.611 1.229 17783 2612 1 5 . 1 1 67 67 VAL C C 389 174.934 174.934 174.311 0.623 17783 2613 1 5 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.972 -3.145 17783 2614 1 5 . 1 1 67 67 VAL CB C 389 33.693 33.693 35.510 -1.817 17783 2615 1 5 . 1 1 67 67 VAL H H 389 9.314 9.314 8.169 1.145 17783 2616 1 5 . 1 1 68 68 SER N N 390 113.588 113.588 120.547 -6.959 17783 2617 1 5 . 1 1 68 68 SER HA H 390 4.850 4.850 5.357 -0.507 17783 2618 1 5 . 1 1 68 68 SER C C 390 174.691 174.691 175.932 -1.241 17783 2619 1 5 . 1 1 68 68 SER CA C 390 58.213 58.213 56.229 1.984 17783 2620 1 5 . 1 1 68 68 SER CB C 390 66.007 66.007 63.834 2.173 17783 2621 1 5 . 1 1 68 68 SER H H 390 8.803 8.803 8.133 0.670 17783 2622 1 5 . 1 1 69 69 GLY N N 391 115.161 115.161 116.702 -1.541 17783 2623 1 5 . 1 1 69 69 GLY C C 391 172.208 172.208 172.216 -0.008 17783 2624 1 5 . 1 1 69 69 GLY CA C 391 44.325 44.325 46.022 -1.697 17783 2625 1 5 . 1 1 69 69 GLY H H 391 8.436 8.436 8.169 0.267 17783 2626 1 5 . 1 1 70 70 VAL N N 392 117.033 117.033 119.084 -2.051 17783 2627 1 5 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.159 0.321 17783 2628 1 5 . 1 1 70 70 VAL C C 392 174.635 174.635 173.758 0.877 17783 2629 1 5 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.189 1.014 17783 2630 1 5 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.975 -0.738 17783 2631 1 5 . 1 1 70 70 VAL H H 392 7.188 7.188 7.601 -0.413 17783 2632 1 5 . 1 1 71 71 TYR N N 393 124.867 124.867 122.805 2.062 17783 2633 1 5 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.839 -0.038 17783 2634 1 5 . 1 1 71 71 TYR C C 393 175.550 175.550 175.621 -0.071 17783 2635 1 5 . 1 1 71 71 TYR CA C 393 56.285 56.285 56.860 -0.575 17783 2636 1 5 . 1 1 71 71 TYR CB C 393 42.543 42.543 41.364 1.179 17783 2637 1 5 . 1 1 71 71 TYR H H 393 9.517 9.517 9.167 0.350 17783 2638 1 5 . 1 1 72 72 ALA N N 394 124.217 124.217 125.504 -1.287 17783 2639 1 5 . 1 1 72 72 ALA HA H 394 2.771 2.771 4.050 -1.279 17783 2640 1 5 . 1 1 72 72 ALA C C 394 175.911 175.911 177.621 -1.710 17783 2641 1 5 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.003 -0.746 17783 2642 1 5 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.013 0.008 17783 2643 1 5 . 1 1 72 72 ALA H H 394 8.984 8.984 8.610 0.374 17783 2644 1 5 . 1 1 73 73 SER N N 395 106.325 106.325 112.286 -5.961 17783 2645 1 5 . 1 1 73 73 SER HA H 395 4.769 4.769 4.659 0.110 17783 2646 1 5 . 1 1 73 73 SER C C 395 173.686 173.686 174.611 -0.925 17783 2647 1 5 . 1 1 73 73 SER CA C 395 56.031 56.031 57.258 -1.227 17783 2648 1 5 . 1 1 73 73 SER CB C 395 66.773 66.773 65.461 1.312 17783 2649 1 5 . 1 1 73 73 SER H H 395 7.251 7.251 7.762 -0.511 17783 2650 1 5 . 1 1 74 74 LYS N N 396 123.531 123.531 124.725 -1.194 17783 2651 1 5 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.675 -0.781 17783 2652 1 5 . 1 1 74 74 LYS C C 396 178.040 178.040 177.803 0.237 17783 2653 1 5 . 1 1 74 74 LYS CA C 396 59.543 59.543 59.354 0.189 17783 2654 1 5 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.997 -0.361 17783 2655 1 5 . 1 1 74 74 LYS H H 396 8.742 8.742 8.630 0.112 17783 2656 1 5 . 1 1 75 75 GLU N N 397 118.740 118.740 118.289 0.451 17783 2657 1 5 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.930 -0.116 17783 2658 1 5 . 1 1 75 75 GLU C C 397 179.136 179.136 178.835 0.301 17783 2659 1 5 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.548 0.529 17783 2660 1 5 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.041 -0.293 17783 2661 1 5 . 1 1 75 75 GLU H H 397 8.529 8.529 8.415 0.114 17783 2662 1 5 . 1 1 76 76 GLU N N 398 119.987 119.987 119.637 0.350 17783 2663 1 5 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.004 -0.169 17783 2664 1 5 . 1 1 76 76 GLU C C 398 178.564 178.564 178.150 0.414 17783 2665 1 5 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.759 0.603 17783 2666 1 5 . 1 1 76 76 GLU CB C 398 30.431 30.431 28.695 1.736 17783 2667 1 5 . 1 1 76 76 GLU H H 398 7.804 7.804 8.565 -0.761 17783 2668 1 5 . 1 1 77 77 ALA N N 399 122.630 122.630 119.950 2.680 17783 2669 1 5 . 1 1 77 77 ALA HA H 399 2.588 2.588 2.633 -0.045 17783 2670 1 5 . 1 1 77 77 ALA C C 399 177.764 177.764 178.618 -0.854 17783 2671 1 5 . 1 1 77 77 ALA CA C 399 54.361 54.361 53.702 0.659 17783 2672 1 5 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.052 -0.387 17783 2673 1 5 . 1 1 77 77 ALA H H 399 7.294 7.294 7.395 -0.101 17783 2674 1 5 . 1 1 78 78 LYS N N 400 115.403 115.403 119.141 -3.738 17783 2675 1 5 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.942 -0.172 17783 2676 1 5 . 1 1 78 78 LYS C C 400 180.700 180.700 178.614 2.086 17783 2677 1 5 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.104 0.438 17783 2678 1 5 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.427 -0.594 17783 2679 1 5 . 1 1 78 78 LYS H H 400 8.001 8.001 7.996 0.005 17783 2680 1 5 . 1 1 79 79 LYS N N 401 119.756 119.756 118.395 1.361 17783 2681 1 5 . 1 1 79 79 LYS HA H 401 3.969 3.969 3.918 0.051 17783 2682 1 5 . 1 1 79 79 LYS C C 401 178.347 178.347 178.477 -0.130 17783 2683 1 5 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.699 0.277 17783 2684 1 5 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.491 0.807 17783 2685 1 5 . 1 1 79 79 LYS H H 401 7.788 7.788 7.637 0.151 17783 2686 1 5 . 1 1 80 80 ALA N N 402 120.725 120.725 122.442 -1.717 17783 2687 1 5 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.000 0.143 17783 2688 1 5 . 1 1 80 80 ALA C C 402 180.118 180.118 179.913 0.205 17783 2689 1 5 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.875 -1.103 17783 2690 1 5 . 1 1 80 80 ALA CB C 402 18.469 18.469 18.001 0.468 17783 2691 1 5 . 1 1 80 80 ALA H H 402 7.334 7.334 7.281 0.053 17783 2692 1 5 . 1 1 81 81 VAL N N 403 120.431 120.431 119.105 1.326 17783 2693 1 5 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.624 -0.262 17783 2694 1 5 . 1 1 81 81 VAL C C 403 177.205 177.205 177.990 -0.785 17783 2695 1 5 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.734 0.994 17783 2696 1 5 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.456 0.277 17783 2697 1 5 . 1 1 81 81 VAL H H 403 7.480 7.480 7.861 -0.381 17783 2698 1 5 . 1 1 82 82 SER N N 404 110.126 110.126 114.850 -4.724 17783 2699 1 5 . 1 1 82 82 SER HA H 404 4.143 4.143 4.233 -0.090 17783 2700 1 5 . 1 1 82 82 SER C C 404 174.813 174.813 175.984 -1.171 17783 2701 1 5 . 1 1 82 82 SER CA C 404 60.751 60.751 61.486 -0.735 17783 2702 1 5 . 1 1 82 82 SER CB C 404 63.287 63.287 62.890 0.397 17783 2703 1 5 . 1 1 82 82 SER H H 404 7.326 7.326 8.129 -0.803 17783 2704 1 5 . 1 1 83 83 THR N N 405 110.438 110.438 114.850 -4.412 17783 2705 1 5 . 1 1 83 83 THR HA H 405 4.461 4.461 4.135 0.326 17783 2706 1 5 . 1 1 83 83 THR C C 405 175.081 175.081 175.831 -0.750 17783 2707 1 5 . 1 1 83 83 THR CA C 405 61.761 61.761 64.048 -2.287 17783 2708 1 5 . 1 1 83 83 THR CB C 405 69.795 69.795 69.176 0.619 17783 2709 1 5 . 1 1 83 83 THR H H 405 7.634 7.634 7.711 -0.077 17783 2710 1 5 . 1 1 84 84 LEU N N 406 123.244 123.244 122.329 0.915 17783 2711 1 5 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.125 0.515 17783 2712 1 5 . 1 1 84 84 LEU C C 406 174.599 174.599 176.015 -1.416 17783 2713 1 5 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.491 -1.196 17783 2714 1 5 . 1 1 84 84 LEU CB C 406 40.709 40.709 40.976 -0.267 17783 2715 1 5 . 1 1 84 84 LEU H H 406 7.478 7.478 7.491 -0.013 17783 2716 1 5 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.506 -0.013 17783 2717 1 5 . 1 1 85 85 PRO C C 407 177.743 177.743 177.352 0.391 17783 2718 1 5 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.318 0.826 17783 2719 1 5 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.462 0.459 17783 2720 1 5 . 1 1 86 86 ALA N N 408 128.809 128.809 122.651 6.158 17783 2721 1 5 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.032 -0.086 17783 2722 1 5 . 1 1 86 86 ALA C C 408 180.517 180.517 179.254 1.263 17783 2723 1 5 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.669 0.836 17783 2724 1 5 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.142 0.203 17783 2725 1 5 . 1 1 86 86 ALA H H 408 9.168 9.168 8.623 0.545 17783 2726 1 5 . 1 1 87 87 ASP N N 409 116.520 116.520 118.589 -2.069 17783 2727 1 5 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.449 0.013 17783 2728 1 5 . 1 1 87 87 ASP C C 409 178.081 178.081 178.223 -0.142 17783 2729 1 5 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.275 -0.340 17783 2730 1 5 . 1 1 87 87 ASP CB C 409 40.359 40.359 39.844 0.515 17783 2731 1 5 . 1 1 87 87 ASP H H 409 9.359 9.359 8.603 0.756 17783 2732 1 5 . 1 1 88 88 VAL N N 410 117.452 117.452 117.852 -0.400 17783 2733 1 5 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.132 -0.043 17783 2734 1 5 . 1 1 88 88 VAL C C 410 178.675 178.675 177.846 0.829 17783 2735 1 5 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.696 -0.821 17783 2736 1 5 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.751 -0.466 17783 2737 1 5 . 1 1 88 88 VAL H H 410 7.355 7.355 7.773 -0.418 17783 2738 1 5 . 1 1 89 89 GLN N N 411 119.387 119.387 119.766 -0.379 17783 2739 1 5 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.140 -0.496 17783 2740 1 5 . 1 1 89 89 GLN C C 411 179.168 179.168 178.710 0.458 17783 2741 1 5 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.367 2.345 17783 2742 1 5 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.584 -0.074 17783 2743 1 5 . 1 1 89 89 GLN H H 411 8.271 8.271 8.429 -0.158 17783 2744 1 5 . 1 1 90 90 ALA N N 412 118.634 118.634 124.708 -6.074 17783 2745 1 5 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.109 0.156 17783 2746 1 5 . 1 1 90 90 ALA C C 412 177.949 177.949 178.727 -0.778 17783 2747 1 5 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.988 -1.047 17783 2748 1 5 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.359 -0.032 17783 2749 1 5 . 1 1 90 90 ALA H H 412 7.794 7.794 8.547 -0.753 17783 2750 1 5 . 1 1 91 91 LYS N N 413 115.842 115.842 115.568 0.274 17783 2751 1 5 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.313 0.019 17783 2752 1 5 . 1 1 91 91 LYS C C 413 175.829 175.829 176.034 -0.205 17783 2753 1 5 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.039 0.331 17783 2754 1 5 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.932 -0.448 17783 2755 1 5 . 1 1 91 91 LYS H H 413 7.398 7.398 7.659 -0.261 17783 2756 1 5 . 1 1 92 92 ASN N N 414 113.776 113.776 118.238 -4.462 17783 2757 1 5 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.552 -0.016 17783 2758 1 5 . 1 1 92 92 ASN C C 414 171.075 171.075 173.882 -2.807 17783 2759 1 5 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.322 0.741 17783 2760 1 5 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.363 0.718 17783 2761 1 5 . 1 1 92 92 ASN H H 414 8.178 8.178 8.188 -0.010 17783 2762 1 5 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.510 0.492 17783 2763 1 5 . 1 1 93 93 PRO C C 415 175.682 175.682 176.236 -0.554 17783 2764 1 5 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.518 -0.028 17783 2765 1 5 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.225 1.360 17783 2766 1 5 . 1 1 94 94 TRP N N 416 117.925 117.925 115.111 2.814 17783 2767 1 5 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.853 0.164 17783 2768 1 5 . 1 1 94 94 TRP C C 416 173.607 173.607 174.214 -0.607 17783 2769 1 5 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.850 -0.855 17783 2770 1 5 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.576 0.931 17783 2771 1 5 . 1 1 94 94 TRP H H 416 7.921 7.921 8.051 -0.130 17783 2772 1 5 . 1 1 95 95 ALA N N 417 123.924 123.924 123.856 0.068 17783 2773 1 5 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.388 0.367 17783 2774 1 5 . 1 1 95 95 ALA C C 417 174.171 174.171 176.427 -2.256 17783 2775 1 5 . 1 1 95 95 ALA CA C 417 51.637 51.637 51.921 -0.284 17783 2776 1 5 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.725 0.743 17783 2777 1 5 . 1 1 95 95 ALA H H 417 8.878 8.878 8.631 0.247 17783 2778 1 5 . 1 1 96 96 LYS N N 418 129.441 129.441 126.859 2.582 17783 2779 1 5 . 1 1 96 96 LYS HA H 418 5.021 5.021 3.971 1.050 17783 2780 1 5 . 1 1 96 96 LYS C C 418 173.451 173.451 173.952 -0.501 17783 2781 1 5 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.341 0.223 17783 2782 1 5 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.531 4.452 17783 2783 1 5 . 1 1 96 96 LYS H H 418 9.235 9.235 7.719 1.516 17783 2784 1 5 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.072 -0.308 17783 2785 1 5 . 1 1 97 97 PRO C C 419 178.893 178.893 177.532 1.361 17783 2786 1 5 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.814 0.081 17783 2787 1 5 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.367 0.353 17783 2788 1 5 . 1 1 98 98 LEU N N 420 126.746 126.746 119.141 7.605 17783 2789 1 5 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.158 -0.355 17783 2790 1 5 . 1 1 98 98 LEU C C 420 179.040 179.040 178.868 0.172 17783 2791 1 5 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.916 0.452 17783 2792 1 5 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.514 -1.573 17783 2793 1 5 . 1 1 98 98 LEU H H 420 9.179 9.179 7.980 1.199 17783 2794 1 5 . 1 1 99 99 ARG N N 421 118.262 118.262 118.751 -0.489 17783 2795 1 5 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.860 0.199 17783 2796 1 5 . 1 1 99 99 ARG C C 421 178.140 178.140 177.175 0.965 17783 2797 1 5 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.878 0.215 17783 2798 1 5 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.869 0.087 17783 2799 1 5 . 1 1 99 99 ARG H H 421 8.014 8.014 8.218 -0.204 17783 2800 1 5 . 1 1 100 100 GLN N N 422 116.539 116.539 115.411 1.128 17783 2801 1 5 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.310 -0.100 17783 2802 1 5 . 1 1 100 100 GLN C C 422 177.594 177.594 178.474 -0.880 17783 2803 1 5 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.020 -0.287 17783 2804 1 5 . 1 1 100 100 GLN CB C 422 29.178 29.178 28.591 0.587 17783 2805 1 5 . 1 1 100 100 GLN H H 422 7.258 7.258 7.719 -0.461 17783 2806 1 5 . 1 1 101 101 VAL N N 423 119.665 119.665 121.728 -2.063 17783 2807 1 5 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.776 -0.228 17783 2808 1 5 . 1 1 101 101 VAL C C 423 177.040 177.040 178.440 -1.400 17783 2809 1 5 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.904 -0.457 17783 2810 1 5 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.626 0.927 17783 2811 1 5 . 1 1 101 101 VAL H H 423 7.090 7.090 7.500 -0.410 17783 2812 1 5 . 1 1 102 102 GLN N N 424 115.032 115.032 118.678 -3.646 17783 2813 1 5 . 1 1 102 102 GLN HA H 424 3.565 3.565 4.175 -0.610 17783 2814 1 5 . 1 1 102 102 GLN C C 424 177.994 177.994 176.636 1.358 17783 2815 1 5 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.367 1.516 17783 2816 1 5 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.304 -1.244 17783 2817 1 5 . 1 1 102 102 GLN H H 424 8.553 8.553 7.776 0.777 17783 2818 1 5 . 1 1 103 103 ALA N N 425 120.742 120.742 122.192 -1.450 17783 2819 1 5 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.233 -0.075 17783 2820 1 5 . 1 1 103 103 ALA C C 425 178.545 178.545 178.399 0.146 17783 2821 1 5 . 1 1 103 103 ALA CA C 425 54.275 54.275 53.836 0.439 17783 2822 1 5 . 1 1 103 103 ALA CB C 425 18.322 18.322 19.077 -0.755 17783 2823 1 5 . 1 1 103 103 ALA H H 425 7.366 7.366 8.144 -0.778 17783 2824 1 5 . 1 1 104 104 ASP N N 426 117.066 117.066 117.650 -0.584 17783 2825 1 5 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.572 0.136 17783 2826 1 5 . 1 1 104 104 ASP C C 426 176.876 176.876 177.245 -0.369 17783 2827 1 5 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.381 -0.158 17783 2828 1 5 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.196 1.304 17783 2829 1 5 . 1 1 104 104 ASP H H 426 7.628 7.628 7.765 -0.137 17783 2830 1 5 . 1 1 105 105 LEU N N 427 119.853 119.853 120.686 -0.833 17783 2831 1 5 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.108 0.191 17783 2832 1 5 . 1 1 105 105 LEU C C 427 176.118 176.118 176.823 -0.705 17783 2833 1 5 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.119 -0.133 17783 2834 1 5 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.074 0.004 17783 2835 1 5 . 1 1 105 105 LEU H H 427 7.242 7.242 7.871 -0.629 17783 2836 1 6 . 1 1 2 2 ARG N N 324 121.883 121.883 124.460 -2.577 17783 2837 1 6 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.258 0.086 17783 2838 1 6 . 1 1 2 2 ARG C C 324 176.887 176.887 175.528 1.359 17783 2839 1 6 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.439 0.066 17783 2840 1 6 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.301 0.433 17783 2841 1 6 . 1 1 2 2 ARG H H 324 8.373 8.373 8.477 -0.104 17783 2842 1 6 . 1 1 3 3 GLY N N 325 111.231 111.231 112.165 -0.934 17783 2843 1 6 . 1 1 3 3 GLY C C 325 174.037 174.037 173.606 0.431 17783 2844 1 6 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.990 0.238 17783 2845 1 6 . 1 1 3 3 GLY H H 325 8.683 8.683 8.421 0.262 17783 2846 1 6 . 1 1 4 4 SER N N 326 115.541 115.541 115.641 -0.100 17783 2847 1 6 . 1 1 4 4 SER HA H 326 4.377 4.377 4.303 0.074 17783 2848 1 6 . 1 1 4 4 SER C C 326 174.454 174.454 175.225 -0.771 17783 2849 1 6 . 1 1 4 4 SER CA C 326 58.315 58.315 59.227 -0.912 17783 2850 1 6 . 1 1 4 4 SER CB C 326 63.902 63.902 63.373 0.528 17783 2851 1 6 . 1 1 4 4 SER H H 326 8.237 8.237 7.835 0.402 17783 2852 1 6 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.576 0.004 17783 2853 1 6 . 1 1 10 10 HIS C C 332 175.292 175.292 176.268 -0.976 17783 2854 1 6 . 1 1 10 10 HIS CA C 332 55.946 55.946 56.552 -0.606 17783 2855 1 6 . 1 1 10 10 HIS CB C 332 30.123 30.123 30.678 -0.555 17783 2856 1 6 . 1 1 11 11 GLY N N 333 110.527 110.527 111.193 -0.666 17783 2857 1 6 . 1 1 11 11 GLY C C 333 174.126 174.126 174.832 -0.706 17783 2858 1 6 . 1 1 11 11 GLY CA C 333 45.327 45.327 46.225 -0.898 17783 2859 1 6 . 1 1 11 11 GLY H H 333 8.540 8.540 8.453 0.087 17783 2860 1 6 . 1 1 12 12 SER N N 334 115.752 115.752 116.506 -0.754 17783 2861 1 6 . 1 1 12 12 SER HA H 334 4.436 4.436 4.572 -0.136 17783 2862 1 6 . 1 1 12 12 SER C C 334 174.538 174.538 173.301 1.237 17783 2863 1 6 . 1 1 12 12 SER CA C 334 58.486 58.486 57.778 0.709 17783 2864 1 6 . 1 1 12 12 SER CB C 334 63.927 63.927 65.321 -1.394 17783 2865 1 6 . 1 1 12 12 SER H H 334 8.356 8.356 8.667 -0.311 17783 2866 1 6 . 1 1 13 13 ASN N N 335 120.410 120.410 118.368 2.042 17783 2867 1 6 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.849 -0.120 17783 2868 1 6 . 1 1 13 13 ASN C C 335 175.116 175.116 173.197 1.919 17783 2869 1 6 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.063 0.323 17783 2870 1 6 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.827 -1.159 17783 2871 1 6 . 1 1 13 13 ASN H H 335 8.575 8.575 8.489 0.086 17783 2872 1 6 . 1 1 14 14 ASN N N 336 119.094 119.094 118.014 1.080 17783 2873 1 6 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.708 0.021 17783 2874 1 6 . 1 1 14 14 ASN C C 336 175.395 175.395 173.187 2.208 17783 2875 1 6 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.120 0.265 17783 2876 1 6 . 1 1 14 14 ASN CB C 336 38.669 38.669 39.700 -1.031 17783 2877 1 6 . 1 1 14 14 ASN H H 336 8.447 8.447 8.643 -0.196 17783 2878 1 6 . 1 1 15 15 ASN N N 337 118.915 118.915 118.330 0.585 17783 2879 1 6 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.561 -0.027 17783 2880 1 6 . 1 1 15 15 ASN C C 337 176.390 176.390 175.342 1.048 17783 2881 1 6 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.842 0.149 17783 2882 1 6 . 1 1 15 15 ASN CB C 337 38.621 38.621 37.974 0.647 17783 2883 1 6 . 1 1 15 15 ASN H H 337 8.446 8.446 8.555 -0.109 17783 2884 1 6 . 1 1 16 16 GLY N N 338 108.851 108.851 107.066 1.785 17783 2885 1 6 . 1 1 16 16 GLY C C 338 175.459 175.459 175.526 -0.067 17783 2886 1 6 . 1 1 16 16 GLY CA C 338 46.752 46.752 46.111 0.641 17783 2887 1 6 . 1 1 16 16 GLY H H 338 8.454 8.454 8.704 -0.250 17783 2888 1 6 . 1 1 17 17 SER N N 339 116.218 116.218 114.665 1.553 17783 2889 1 6 . 1 1 17 17 SER HA H 339 4.229 4.229 4.232 -0.003 17783 2890 1 6 . 1 1 17 17 SER C C 339 175.869 175.869 175.726 0.143 17783 2891 1 6 . 1 1 17 17 SER CA C 339 59.759 59.759 60.649 -0.890 17783 2892 1 6 . 1 1 17 17 SER CB C 339 62.973 62.973 63.386 -0.413 17783 2893 1 6 . 1 1 17 17 SER H H 339 8.170 8.170 8.511 -0.341 17783 2894 1 6 . 1 1 18 18 LEU N N 340 121.515 121.515 116.384 5.131 17783 2895 1 6 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.488 -0.486 17783 2896 1 6 . 1 1 18 18 LEU C C 340 178.399 178.399 178.244 0.155 17783 2897 1 6 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.416 0.735 17783 2898 1 6 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.699 0.377 17783 2899 1 6 . 1 1 18 18 LEU H H 340 7.790 7.790 7.843 -0.053 17783 2900 1 6 . 1 1 19 19 LYS N N 341 117.145 117.145 120.290 -3.145 17783 2901 1 6 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.148 -0.340 17783 2902 1 6 . 1 1 19 19 LYS C C 341 176.960 176.960 178.032 -1.072 17783 2903 1 6 . 1 1 19 19 LYS CA C 341 59.192 59.192 57.829 1.363 17783 2904 1 6 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.034 0.759 17783 2905 1 6 . 1 1 19 19 LYS H H 341 7.893 7.893 8.029 -0.136 17783 2906 1 6 . 1 1 20 20 SER N N 342 110.377 110.377 114.946 -4.569 17783 2907 1 6 . 1 1 20 20 SER HA H 342 4.369 4.369 4.215 0.154 17783 2908 1 6 . 1 1 20 20 SER C C 342 173.735 173.735 174.785 -1.050 17783 2909 1 6 . 1 1 20 20 SER CA C 342 58.141 58.141 60.226 -2.085 17783 2910 1 6 . 1 1 20 20 SER CB C 342 63.900 63.900 63.022 0.878 17783 2911 1 6 . 1 1 20 20 SER H H 342 7.546 7.546 7.658 -0.112 17783 2912 1 6 . 1 1 21 21 ALA N N 343 125.662 125.662 124.565 1.097 17783 2913 1 6 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.444 -0.082 17783 2914 1 6 . 1 1 21 21 ALA C C 343 174.051 174.051 175.121 -1.070 17783 2915 1 6 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.560 1.012 17783 2916 1 6 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.905 -0.771 17783 2917 1 6 . 1 1 21 21 ALA H H 343 6.852 6.852 7.433 -0.581 17783 2918 1 6 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.299 -0.061 17783 2919 1 6 . 1 1 22 22 PRO C C 344 178.184 178.184 176.598 1.586 17783 2920 1 6 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.820 0.262 17783 2921 1 6 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.618 0.986 17783 2922 1 6 . 1 1 23 23 SER N N 345 118.662 118.662 119.968 -1.306 17783 2923 1 6 . 1 1 23 23 SER HA H 345 3.825 3.825 4.140 -0.315 17783 2924 1 6 . 1 1 23 23 SER C C 345 174.231 174.231 175.509 -1.278 17783 2925 1 6 . 1 1 23 23 SER CA C 345 60.892 60.892 59.917 0.975 17783 2926 1 6 . 1 1 23 23 SER CB C 345 63.223 63.223 63.059 0.164 17783 2927 1 6 . 1 1 23 23 SER H H 345 8.566 8.566 8.056 0.510 17783 2928 1 6 . 1 1 24 24 SER N N 346 111.938 111.938 116.249 -4.311 17783 2929 1 6 . 1 1 24 24 SER HA H 346 4.383 4.383 4.224 0.159 17783 2930 1 6 . 1 1 24 24 SER C C 346 175.152 175.152 174.249 0.903 17783 2931 1 6 . 1 1 24 24 SER CA C 346 58.247 58.247 60.031 -1.784 17783 2932 1 6 . 1 1 24 24 SER CB C 346 63.958 63.958 63.184 0.775 17783 2933 1 6 . 1 1 24 24 SER H H 346 7.675 7.675 8.110 -0.435 17783 2934 1 6 . 1 1 25 25 HIS N N 347 122.882 122.882 120.183 2.699 17783 2935 1 6 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.836 0.014 17783 2936 1 6 . 1 1 25 25 HIS C C 347 173.574 173.574 174.938 -1.364 17783 2937 1 6 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.420 0.655 17783 2938 1 6 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.458 1.390 17783 2939 1 6 . 1 1 25 25 HIS H H 347 7.628 7.628 7.149 0.479 17783 2940 1 6 . 1 1 26 26 TYR N N 348 117.921 117.921 123.380 -5.459 17783 2941 1 6 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.730 0.259 17783 2942 1 6 . 1 1 26 26 TYR C C 348 174.086 174.086 175.369 -1.283 17783 2943 1 6 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.210 -0.023 17783 2944 1 6 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.206 2.628 17783 2945 1 6 . 1 1 26 26 TYR H H 348 9.606 9.606 8.227 1.379 17783 2946 1 6 . 1 1 27 27 THR N N 349 115.914 115.914 114.593 1.321 17783 2947 1 6 . 1 1 27 27 THR HA H 349 5.027 5.027 4.681 0.346 17783 2948 1 6 . 1 1 27 27 THR C C 349 172.904 172.904 173.228 -0.324 17783 2949 1 6 . 1 1 27 27 THR CA C 349 58.835 58.835 61.679 -2.844 17783 2950 1 6 . 1 1 27 27 THR CB C 349 70.587 70.587 69.521 1.066 17783 2951 1 6 . 1 1 27 27 THR H H 349 8.974 8.974 8.224 0.750 17783 2952 1 6 . 1 1 28 28 LEU N N 350 123.392 123.392 128.632 -5.240 17783 2953 1 6 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.705 0.284 17783 2954 1 6 . 1 1 28 28 LEU C C 350 176.111 176.111 176.400 -0.289 17783 2955 1 6 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.426 -2.328 17783 2956 1 6 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.528 2.342 17783 2957 1 6 . 1 1 28 28 LEU H H 350 8.249 8.249 8.675 -0.426 17783 2958 1 6 . 1 1 29 29 GLN N N 351 122.797 122.797 116.465 6.332 17783 2959 1 6 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.721 -0.168 17783 2960 1 6 . 1 1 29 29 GLN C C 351 175.435 175.435 176.319 -0.884 17783 2961 1 6 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.775 1.169 17783 2962 1 6 . 1 1 29 29 GLN CB C 351 27.231 27.231 31.671 -4.440 17783 2963 1 6 . 1 1 29 29 GLN H H 351 8.915 8.915 8.136 0.779 17783 2964 1 6 . 1 1 30 30 LEU N N 352 125.239 125.239 126.433 -1.194 17783 2965 1 6 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.428 -0.061 17783 2966 1 6 . 1 1 30 30 LEU C C 352 177.250 177.250 176.387 0.863 17783 2967 1 6 . 1 1 30 30 LEU CA C 352 56.101 56.101 57.240 -1.139 17783 2968 1 6 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.853 0.247 17783 2969 1 6 . 1 1 30 30 LEU H H 352 8.920 8.920 8.458 0.462 17783 2970 1 6 . 1 1 31 31 SER N N 353 106.816 106.816 108.233 -1.417 17783 2971 1 6 . 1 1 31 31 SER HA H 353 4.493 4.493 4.476 0.017 17783 2972 1 6 . 1 1 31 31 SER C C 353 171.831 171.831 172.398 -0.567 17783 2973 1 6 . 1 1 31 31 SER CA C 353 57.160 57.160 57.718 -0.558 17783 2974 1 6 . 1 1 31 31 SER CB C 353 64.360 64.360 64.141 0.219 17783 2975 1 6 . 1 1 31 31 SER H H 353 7.548 7.548 8.171 -0.623 17783 2976 1 6 . 1 1 32 32 SER N N 354 113.518 113.518 114.664 -1.146 17783 2977 1 6 . 1 1 32 32 SER HA H 354 5.026 5.026 4.493 0.533 17783 2978 1 6 . 1 1 32 32 SER C C 354 172.512 172.512 171.966 0.546 17783 2979 1 6 . 1 1 32 32 SER CA C 354 57.285 57.285 57.575 -0.290 17783 2980 1 6 . 1 1 32 32 SER CB C 354 65.347 65.347 65.489 -0.142 17783 2981 1 6 . 1 1 32 32 SER H H 354 8.127 8.127 8.066 0.061 17783 2982 1 6 . 1 1 33 33 SER N N 355 114.624 114.624 113.545 1.079 17783 2983 1 6 . 1 1 33 33 SER HA H 355 4.106 4.106 4.094 0.012 17783 2984 1 6 . 1 1 33 33 SER C C 355 171.639 171.639 171.946 -0.307 17783 2985 1 6 . 1 1 33 33 SER CA C 355 57.276 57.276 57.826 -0.550 17783 2986 1 6 . 1 1 33 33 SER CB C 355 64.539 64.539 64.260 0.279 17783 2987 1 6 . 1 1 33 33 SER H H 355 8.616 8.616 6.270 2.346 17783 2988 1 6 . 1 1 34 34 SER N N 356 116.467 116.467 115.075 1.392 17783 2989 1 6 . 1 1 34 34 SER HA H 356 4.241 4.241 4.969 -0.728 17783 2990 1 6 . 1 1 34 34 SER C C 356 173.820 173.820 173.263 0.557 17783 2991 1 6 . 1 1 34 34 SER CA C 356 59.074 59.074 57.654 1.420 17783 2992 1 6 . 1 1 34 34 SER CB C 356 63.741 63.741 62.753 0.988 17783 2993 1 6 . 1 1 34 34 SER H H 356 8.132 8.132 8.394 -0.262 17783 2994 1 6 . 1 1 35 35 ASN N N 357 122.206 122.206 118.505 3.701 17783 2995 1 6 . 1 1 35 35 ASN HA H 357 4.921 4.921 4.932 -0.011 17783 2996 1 6 . 1 1 35 35 ASN C C 357 172.965 172.965 174.300 -1.335 17783 2997 1 6 . 1 1 35 35 ASN CA C 357 52.447 52.447 52.839 -0.392 17783 2998 1 6 . 1 1 35 35 ASN CB C 357 40.925 40.925 39.434 1.491 17783 2999 1 6 . 1 1 35 35 ASN H H 357 8.511 8.511 7.852 0.659 17783 3000 1 6 . 1 1 36 36 TYR N N 358 127.519 127.519 124.400 3.119 17783 3001 1 6 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.818 -0.846 17783 3002 1 6 . 1 1 36 36 TYR C C 358 176.522 176.522 176.322 0.200 17783 3003 1 6 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.819 0.150 17783 3004 1 6 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.395 -0.684 17783 3005 1 6 . 1 1 36 36 TYR H H 358 8.002 8.002 8.731 -0.729 17783 3006 1 6 . 1 1 37 37 ASP N N 359 118.658 118.658 118.794 -0.136 17783 3007 1 6 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.347 -0.203 17783 3008 1 6 . 1 1 37 37 ASP C C 359 179.804 179.804 178.110 1.694 17783 3009 1 6 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.374 -0.871 17783 3010 1 6 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.163 0.015 17783 3011 1 6 . 1 1 37 37 ASP H H 359 8.033 8.033 8.922 -0.889 17783 3012 1 6 . 1 1 38 38 ASN N N 360 119.802 119.802 118.286 1.516 17783 3013 1 6 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.472 -0.169 17783 3014 1 6 . 1 1 38 38 ASN C C 360 177.720 177.720 177.641 0.079 17783 3015 1 6 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.806 -0.356 17783 3016 1 6 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.119 -0.356 17783 3017 1 6 . 1 1 38 38 ASN H H 360 8.380 8.380 8.436 -0.056 17783 3018 1 6 . 1 1 39 39 LEU N N 361 121.625 121.625 121.808 -0.183 17783 3019 1 6 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.168 -0.071 17783 3020 1 6 . 1 1 39 39 LEU C C 361 177.738 177.738 177.667 0.071 17783 3021 1 6 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.921 -0.356 17783 3022 1 6 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.542 1.186 17783 3023 1 6 . 1 1 39 39 LEU H H 361 7.243 7.243 7.915 -0.672 17783 3024 1 6 . 1 1 40 40 ASN N N 362 116.601 116.601 117.121 -0.520 17783 3025 1 6 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.144 0.001 17783 3026 1 6 . 1 1 40 40 ASN C C 362 177.253 177.253 177.676 -0.423 17783 3027 1 6 . 1 1 40 40 ASN CA C 362 56.527 56.527 55.970 0.557 17783 3028 1 6 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.953 1.373 17783 3029 1 6 . 1 1 40 40 ASN H H 362 8.284 8.284 8.528 -0.244 17783 3030 1 6 . 1 1 41 41 GLY N N 363 104.958 104.958 107.578 -2.620 17783 3031 1 6 . 1 1 41 41 GLY C C 363 176.323 176.323 175.624 0.699 17783 3032 1 6 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.831 0.008 17783 3033 1 6 . 1 1 41 41 GLY H H 363 8.334 8.334 7.831 0.503 17783 3034 1 6 . 1 1 42 42 TRP N N 364 125.066 125.066 124.631 0.435 17783 3035 1 6 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.113 0.113 17783 3036 1 6 . 1 1 42 42 TRP C C 364 176.509 176.509 177.864 -1.355 17783 3037 1 6 . 1 1 42 42 TRP CA C 364 61.489 61.489 61.095 0.394 17783 3038 1 6 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.172 -1.296 17783 3039 1 6 . 1 1 42 42 TRP H H 364 7.833 7.833 8.023 -0.190 17783 3040 1 6 . 1 1 43 43 ALA N N 365 120.030 120.030 120.329 -0.299 17783 3041 1 6 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.398 -0.404 17783 3042 1 6 . 1 1 43 43 ALA C C 365 179.186 179.186 179.833 -0.647 17783 3043 1 6 . 1 1 43 43 ALA CA C 365 55.001 55.001 54.673 0.328 17783 3044 1 6 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.879 -0.791 17783 3045 1 6 . 1 1 43 43 ALA H H 365 7.701 7.701 8.092 -0.391 17783 3046 1 6 . 1 1 44 44 LYS N N 366 115.064 115.064 116.472 -1.408 17783 3047 1 6 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.004 0.029 17783 3048 1 6 . 1 1 44 44 LYS C C 366 180.830 180.830 178.477 2.353 17783 3049 1 6 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.587 0.404 17783 3050 1 6 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.406 -0.056 17783 3051 1 6 . 1 1 44 44 LYS H H 366 7.562 7.562 7.496 0.066 17783 3052 1 6 . 1 1 45 45 LYS N N 367 123.180 123.180 119.720 3.460 17783 3053 1 6 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.063 -0.156 17783 3054 1 6 . 1 1 45 45 LYS C C 367 178.319 178.319 178.197 0.122 17783 3055 1 6 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.759 0.285 17783 3056 1 6 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.801 -0.735 17783 3057 1 6 . 1 1 45 45 LYS H H 367 8.067 8.067 7.794 0.273 17783 3058 1 6 . 1 1 46 46 GLU N N 368 114.882 114.882 114.386 0.496 17783 3059 1 6 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.108 -0.191 17783 3060 1 6 . 1 1 46 46 GLU C C 368 174.639 174.639 176.387 -1.748 17783 3061 1 6 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.680 -1.664 17783 3062 1 6 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.736 -2.059 17783 3063 1 6 . 1 1 46 46 GLU H H 368 7.488 7.488 7.793 -0.305 17783 3064 1 6 . 1 1 47 47 ASN N N 369 114.944 114.944 115.781 -0.837 17783 3065 1 6 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.227 0.045 17783 3066 1 6 . 1 1 47 47 ASN C C 369 174.759 174.759 174.593 0.166 17783 3067 1 6 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.769 -0.065 17783 3068 1 6 . 1 1 47 47 ASN CB C 369 37.059 37.059 35.972 1.087 17783 3069 1 6 . 1 1 47 47 ASN H H 369 7.772 7.772 7.790 -0.018 17783 3070 1 6 . 1 1 48 48 LEU N N 370 116.008 116.008 119.441 -3.433 17783 3071 1 6 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.870 0.250 17783 3072 1 6 . 1 1 48 48 LEU C C 370 177.056 177.056 176.469 0.587 17783 3073 1 6 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.495 -0.377 17783 3074 1 6 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.146 0.771 17783 3075 1 6 . 1 1 48 48 LEU H H 370 7.463 7.463 7.478 -0.015 17783 3076 1 6 . 1 1 49 49 LYS N N 371 120.012 120.012 123.584 -3.572 17783 3077 1 6 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.418 0.142 17783 3078 1 6 . 1 1 49 49 LYS C C 371 176.481 176.481 176.197 0.284 17783 3079 1 6 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.911 -0.583 17783 3080 1 6 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.243 1.312 17783 3081 1 6 . 1 1 49 49 LYS H H 371 8.518 8.518 8.070 0.448 17783 3082 1 6 . 1 1 50 50 ASN N N 372 117.610 117.610 119.954 -2.344 17783 3083 1 6 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.432 0.082 17783 3084 1 6 . 1 1 50 50 ASN C C 372 173.445 173.445 173.508 -0.063 17783 3085 1 6 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.002 -0.565 17783 3086 1 6 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.303 -0.371 17783 3087 1 6 . 1 1 50 50 ASN H H 372 8.734 8.734 8.800 -0.066 17783 3088 1 6 . 1 1 51 51 TYR N N 373 117.151 117.151 116.821 0.330 17783 3089 1 6 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.092 0.303 17783 3090 1 6 . 1 1 51 51 TYR C C 373 173.549 173.549 173.816 -0.267 17783 3091 1 6 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.731 0.051 17783 3092 1 6 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.266 0.145 17783 3093 1 6 . 1 1 51 51 TYR H H 373 7.570 7.570 7.604 -0.034 17783 3094 1 6 . 1 1 52 52 VAL N N 374 120.887 120.887 119.176 1.711 17783 3095 1 6 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.300 -0.002 17783 3096 1 6 . 1 1 52 52 VAL C C 374 174.289 174.289 175.308 -1.019 17783 3097 1 6 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.594 0.120 17783 3098 1 6 . 1 1 52 52 VAL CB C 374 36.584 36.584 33.407 3.177 17783 3099 1 6 . 1 1 52 52 VAL H H 374 9.140 9.140 8.729 0.411 17783 3100 1 6 . 1 1 53 53 VAL N N 375 126.060 126.060 126.023 0.037 17783 3101 1 6 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.305 1.110 17783 3102 1 6 . 1 1 53 53 VAL C C 375 175.803 175.803 176.243 -0.440 17783 3103 1 6 . 1 1 53 53 VAL CA C 375 60.656 60.656 63.034 -2.378 17783 3104 1 6 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.456 1.280 17783 3105 1 6 . 1 1 53 53 VAL H H 375 8.600 8.600 8.341 0.259 17783 3106 1 6 . 1 1 54 54 TYR N N 376 125.706 125.706 124.742 0.964 17783 3107 1 6 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.049 0.373 17783 3108 1 6 . 1 1 54 54 TYR C C 376 172.139 172.139 173.593 -1.454 17783 3109 1 6 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.756 -0.627 17783 3110 1 6 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.693 0.964 17783 3111 1 6 . 1 1 54 54 TYR H H 376 9.292 9.292 8.481 0.811 17783 3112 1 6 . 1 1 55 55 GLU N N 377 122.063 122.063 119.768 2.295 17783 3113 1 6 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.995 0.719 17783 3114 1 6 . 1 1 55 55 GLU C C 377 175.011 175.011 175.583 -0.572 17783 3115 1 6 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.217 -0.074 17783 3116 1 6 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.641 2.018 17783 3117 1 6 . 1 1 55 55 GLU H H 377 8.758 8.758 8.399 0.359 17783 3118 1 6 . 1 1 56 56 THR N N 378 122.855 122.855 113.201 9.654 17783 3119 1 6 . 1 1 56 56 THR HA H 378 4.848 4.848 4.441 0.407 17783 3120 1 6 . 1 1 56 56 THR C C 378 173.550 173.550 172.727 0.823 17783 3121 1 6 . 1 1 56 56 THR CA C 378 58.732 58.732 61.194 -2.462 17783 3122 1 6 . 1 1 56 56 THR CB C 378 70.181 70.181 68.855 1.326 17783 3123 1 6 . 1 1 56 56 THR H H 378 9.160 9.160 7.762 1.398 17783 3124 1 6 . 1 1 57 57 THR N N 379 116.629 116.629 113.222 3.407 17783 3125 1 6 . 1 1 57 57 THR HA H 379 5.145 5.145 4.719 0.426 17783 3126 1 6 . 1 1 57 57 THR C C 379 173.973 173.973 173.243 0.730 17783 3127 1 6 . 1 1 57 57 THR CA C 379 60.517 60.517 60.268 0.249 17783 3128 1 6 . 1 1 57 57 THR CB C 379 71.582 71.582 69.698 1.884 17783 3129 1 6 . 1 1 57 57 THR H H 379 8.677 8.677 8.380 0.297 17783 3130 1 6 . 1 1 58 58 ARG N N 380 124.546 124.546 125.720 -1.174 17783 3131 1 6 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.704 -0.396 17783 3132 1 6 . 1 1 58 58 ARG C C 380 176.074 176.074 175.620 0.454 17783 3133 1 6 . 1 1 58 58 ARG CA C 380 55.510 55.510 55.193 0.317 17783 3134 1 6 . 1 1 58 58 ARG CB C 380 32.473 32.473 34.099 -1.626 17783 3135 1 6 . 1 1 58 58 ARG H H 380 9.117 9.117 7.900 1.217 17783 3136 1 6 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.495 -0.190 17783 3137 1 6 . 1 1 59 59 ASN C C 381 175.444 175.444 175.119 0.325 17783 3138 1 6 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.111 1.126 17783 3139 1 6 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.245 -0.032 17783 3140 1 6 . 1 1 60 60 GLY N N 382 103.015 103.015 103.923 -0.908 17783 3141 1 6 . 1 1 60 60 GLY C C 382 173.488 173.488 173.638 -0.150 17783 3142 1 6 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.704 -0.231 17783 3143 1 6 . 1 1 60 60 GLY H H 382 8.639 8.639 8.660 -0.021 17783 3144 1 6 . 1 1 61 61 GLN N N 383 119.903 119.903 118.319 1.584 17783 3145 1 6 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.552 0.448 17783 3146 1 6 . 1 1 61 61 GLN C C 383 172.730 172.730 173.515 -0.785 17783 3147 1 6 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.875 -0.184 17783 3148 1 6 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.858 -0.147 17783 3149 1 6 . 1 1 61 61 GLN H H 383 7.697 7.697 7.689 0.008 17783 3150 1 6 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.381 0.233 17783 3151 1 6 . 1 1 62 62 PRO C C 384 175.576 175.576 175.393 0.183 17783 3152 1 6 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.212 0.791 17783 3153 1 6 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.539 1.006 17783 3154 1 6 . 1 1 63 63 TRP N N 385 126.621 126.621 126.122 0.499 17783 3155 1 6 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.879 -0.368 17783 3156 1 6 . 1 1 63 63 TRP C C 385 172.096 172.096 173.574 -1.478 17783 3157 1 6 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.591 0.491 17783 3158 1 6 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.956 1.218 17783 3159 1 6 . 1 1 63 63 TRP H H 385 8.063 8.063 7.632 0.431 17783 3160 1 6 . 1 1 64 64 TYR N N 386 124.129 124.129 125.478 -1.349 17783 3161 1 6 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.118 1.100 17783 3162 1 6 . 1 1 64 64 TYR C C 386 173.544 173.544 174.013 -0.469 17783 3163 1 6 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.973 -0.204 17783 3164 1 6 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.919 3.514 17783 3165 1 6 . 1 1 64 64 TYR H H 386 7.954 7.954 8.323 -0.369 17783 3166 1 6 . 1 1 65 65 VAL N N 387 121.167 121.167 121.376 -0.209 17783 3167 1 6 . 1 1 65 65 VAL HA H 387 3.863 3.863 3.956 -0.093 17783 3168 1 6 . 1 1 65 65 VAL C C 387 172.675 172.675 174.422 -1.747 17783 3169 1 6 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.255 1.002 17783 3170 1 6 . 1 1 65 65 VAL CB C 387 34.133 34.133 34.280 -0.147 17783 3171 1 6 . 1 1 65 65 VAL H H 387 8.409 8.409 6.888 1.521 17783 3172 1 6 . 1 1 66 66 LEU N N 388 127.479 127.479 125.714 1.765 17783 3173 1 6 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.927 0.496 17783 3174 1 6 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.685 -0.189 17783 3175 1 6 . 1 1 66 66 LEU CB C 388 44.755 44.755 44.026 0.729 17783 3176 1 6 . 1 1 66 66 LEU H H 388 8.200 8.200 8.381 -0.181 17783 3177 1 6 . 1 1 67 67 VAL N N 389 120.778 120.778 116.634 4.144 17783 3178 1 6 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.649 1.191 17783 3179 1 6 . 1 1 67 67 VAL C C 389 174.934 174.934 175.037 -0.103 17783 3180 1 6 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.161 -2.334 17783 3181 1 6 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.805 -1.112 17783 3182 1 6 . 1 1 67 67 VAL H H 389 9.314 9.314 8.354 0.960 17783 3183 1 6 . 1 1 68 68 SER N N 390 113.588 113.588 120.173 -6.585 17783 3184 1 6 . 1 1 68 68 SER HA H 390 4.850 4.850 4.742 0.108 17783 3185 1 6 . 1 1 68 68 SER C C 390 174.691 174.691 175.702 -1.011 17783 3186 1 6 . 1 1 68 68 SER CA C 390 58.213 58.213 57.388 0.825 17783 3187 1 6 . 1 1 68 68 SER CB C 390 66.007 66.007 62.625 3.382 17783 3188 1 6 . 1 1 68 68 SER H H 390 8.803 8.803 8.613 0.190 17783 3189 1 6 . 1 1 69 69 GLY N N 391 115.161 115.161 117.810 -2.649 17783 3190 1 6 . 1 1 69 69 GLY C C 391 172.208 172.208 172.664 -0.456 17783 3191 1 6 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.842 -1.516 17783 3192 1 6 . 1 1 69 69 GLY H H 391 8.436 8.436 8.375 0.061 17783 3193 1 6 . 1 1 70 70 VAL N N 392 117.033 117.033 119.664 -2.631 17783 3194 1 6 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.000 0.480 17783 3195 1 6 . 1 1 70 70 VAL C C 392 174.635 174.635 173.657 0.978 17783 3196 1 6 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.070 1.133 17783 3197 1 6 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.714 0.523 17783 3198 1 6 . 1 1 70 70 VAL H H 392 7.188 7.188 7.548 -0.360 17783 3199 1 6 . 1 1 71 71 TYR N N 393 124.867 124.867 122.035 2.832 17783 3200 1 6 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.834 -0.033 17783 3201 1 6 . 1 1 71 71 TYR C C 393 175.550 175.550 175.909 -0.359 17783 3202 1 6 . 1 1 71 71 TYR CA C 393 56.285 56.285 56.876 -0.591 17783 3203 1 6 . 1 1 71 71 TYR CB C 393 42.543 42.543 40.588 1.955 17783 3204 1 6 . 1 1 71 71 TYR H H 393 9.517 9.517 8.096 1.421 17783 3205 1 6 . 1 1 72 72 ALA N N 394 124.217 124.217 126.683 -2.466 17783 3206 1 6 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.881 -1.110 17783 3207 1 6 . 1 1 72 72 ALA C C 394 175.911 175.911 177.236 -1.325 17783 3208 1 6 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.379 -1.121 17783 3209 1 6 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.178 -0.157 17783 3210 1 6 . 1 1 72 72 ALA H H 394 8.984 8.984 8.831 0.153 17783 3211 1 6 . 1 1 73 73 SER N N 395 106.325 106.325 110.992 -4.667 17783 3212 1 6 . 1 1 73 73 SER HA H 395 4.769 4.769 4.835 -0.066 17783 3213 1 6 . 1 1 73 73 SER C C 395 173.686 173.686 174.582 -0.896 17783 3214 1 6 . 1 1 73 73 SER CA C 395 56.031 56.031 56.602 -0.572 17783 3215 1 6 . 1 1 73 73 SER CB C 395 66.773 66.773 65.487 1.286 17783 3216 1 6 . 1 1 73 73 SER H H 395 7.251 7.251 7.841 -0.590 17783 3217 1 6 . 1 1 74 74 LYS N N 396 123.531 123.531 118.904 4.627 17783 3218 1 6 . 1 1 74 74 LYS HA H 396 2.894 2.894 4.002 -1.108 17783 3219 1 6 . 1 1 74 74 LYS C C 396 178.040 178.040 177.914 0.126 17783 3220 1 6 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.709 1.834 17783 3221 1 6 . 1 1 74 74 LYS CB C 396 31.636 31.636 30.933 0.703 17783 3222 1 6 . 1 1 74 74 LYS H H 396 8.742 8.742 7.999 0.743 17783 3223 1 6 . 1 1 75 75 GLU N N 397 118.740 118.740 122.046 -3.306 17783 3224 1 6 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.931 -0.117 17783 3225 1 6 . 1 1 75 75 GLU C C 397 179.136 179.136 178.334 0.802 17783 3226 1 6 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.342 0.735 17783 3227 1 6 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.293 -0.545 17783 3228 1 6 . 1 1 75 75 GLU H H 397 8.529 8.529 7.691 0.838 17783 3229 1 6 . 1 1 76 76 GLU N N 398 119.987 119.987 119.276 0.711 17783 3230 1 6 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.015 -0.180 17783 3231 1 6 . 1 1 76 76 GLU C C 398 178.564 178.564 178.246 0.318 17783 3232 1 6 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.800 0.562 17783 3233 1 6 . 1 1 76 76 GLU CB C 398 30.431 30.431 28.616 1.815 17783 3234 1 6 . 1 1 76 76 GLU H H 398 7.804 7.804 8.572 -0.768 17783 3235 1 6 . 1 1 77 77 ALA N N 399 122.630 122.630 123.229 -0.599 17783 3236 1 6 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.212 -0.624 17783 3237 1 6 . 1 1 77 77 ALA C C 399 177.764 177.764 178.814 -1.050 17783 3238 1 6 . 1 1 77 77 ALA CA C 399 54.361 54.361 55.214 -0.853 17783 3239 1 6 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.235 -0.570 17783 3240 1 6 . 1 1 77 77 ALA H H 399 7.294 7.294 7.501 -0.207 17783 3241 1 6 . 1 1 78 78 LYS N N 400 115.403 115.403 116.624 -1.221 17783 3242 1 6 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.898 -0.128 17783 3243 1 6 . 1 1 78 78 LYS C C 400 180.700 180.700 178.469 2.231 17783 3244 1 6 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.825 0.717 17783 3245 1 6 . 1 1 78 78 LYS CB C 400 31.833 31.833 31.861 -0.028 17783 3246 1 6 . 1 1 78 78 LYS H H 400 8.001 8.001 7.430 0.571 17783 3247 1 6 . 1 1 79 79 LYS N N 401 119.756 119.756 120.040 -0.284 17783 3248 1 6 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.036 -0.067 17783 3249 1 6 . 1 1 79 79 LYS C C 401 178.347 178.347 178.422 -0.075 17783 3250 1 6 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.743 0.233 17783 3251 1 6 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.396 -0.098 17783 3252 1 6 . 1 1 79 79 LYS H H 401 7.788 7.788 7.179 0.609 17783 3253 1 6 . 1 1 80 80 ALA N N 402 120.725 120.725 120.774 -0.049 17783 3254 1 6 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.077 0.066 17783 3255 1 6 . 1 1 80 80 ALA C C 402 180.118 180.118 179.224 0.894 17783 3256 1 6 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.733 -0.961 17783 3257 1 6 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.945 0.524 17783 3258 1 6 . 1 1 80 80 ALA H H 402 7.334 7.334 7.890 -0.556 17783 3259 1 6 . 1 1 81 81 VAL N N 403 120.431 120.431 118.394 2.037 17783 3260 1 6 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.605 -0.243 17783 3261 1 6 . 1 1 81 81 VAL C C 403 177.205 177.205 177.641 -0.436 17783 3262 1 6 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.799 0.929 17783 3263 1 6 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.496 0.237 17783 3264 1 6 . 1 1 81 81 VAL H H 403 7.480 7.480 7.369 0.111 17783 3265 1 6 . 1 1 82 82 SER N N 404 110.126 110.126 112.785 -2.659 17783 3266 1 6 . 1 1 82 82 SER HA H 404 4.143 4.143 4.153 -0.010 17783 3267 1 6 . 1 1 82 82 SER C C 404 174.813 174.813 175.727 -0.914 17783 3268 1 6 . 1 1 82 82 SER CA C 404 60.751 60.751 61.171 -0.420 17783 3269 1 6 . 1 1 82 82 SER CB C 404 63.287 63.287 62.995 0.292 17783 3270 1 6 . 1 1 82 82 SER H H 404 7.326 7.326 8.051 -0.725 17783 3271 1 6 . 1 1 83 83 THR N N 405 110.438 110.438 113.344 -2.906 17783 3272 1 6 . 1 1 83 83 THR HA H 405 4.461 4.461 4.095 0.366 17783 3273 1 6 . 1 1 83 83 THR C C 405 175.081 175.081 175.593 -0.512 17783 3274 1 6 . 1 1 83 83 THR CA C 405 61.761 61.761 64.193 -2.432 17783 3275 1 6 . 1 1 83 83 THR CB C 405 69.795 69.795 69.047 0.748 17783 3276 1 6 . 1 1 83 83 THR H H 405 7.634 7.634 7.313 0.321 17783 3277 1 6 . 1 1 84 84 LEU N N 406 123.244 123.244 123.739 -0.495 17783 3278 1 6 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.291 0.349 17783 3279 1 6 . 1 1 84 84 LEU C C 406 174.599 174.599 175.868 -1.269 17783 3280 1 6 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.271 -0.976 17783 3281 1 6 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.167 -0.458 17783 3282 1 6 . 1 1 84 84 LEU H H 406 7.478 7.478 7.703 -0.225 17783 3283 1 6 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.515 -0.022 17783 3284 1 6 . 1 1 85 85 PRO C C 407 177.743 177.743 177.249 0.494 17783 3285 1 6 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.290 0.854 17783 3286 1 6 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.471 0.450 17783 3287 1 6 . 1 1 86 86 ALA N N 408 128.809 128.809 122.015 6.794 17783 3288 1 6 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.059 -0.113 17783 3289 1 6 . 1 1 86 86 ALA C C 408 180.517 180.517 179.353 1.164 17783 3290 1 6 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.471 1.034 17783 3291 1 6 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.103 0.242 17783 3292 1 6 . 1 1 86 86 ALA H H 408 9.168 9.168 8.564 0.604 17783 3293 1 6 . 1 1 87 87 ASP N N 409 116.520 116.520 119.125 -2.605 17783 3294 1 6 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.410 0.052 17783 3295 1 6 . 1 1 87 87 ASP C C 409 178.081 178.081 178.389 -0.308 17783 3296 1 6 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.157 -0.222 17783 3297 1 6 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.177 0.182 17783 3298 1 6 . 1 1 87 87 ASP H H 409 9.359 9.359 8.864 0.495 17783 3299 1 6 . 1 1 88 88 VAL N N 410 117.452 117.452 119.048 -1.596 17783 3300 1 6 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.062 0.027 17783 3301 1 6 . 1 1 88 88 VAL C C 410 178.675 178.675 178.606 0.069 17783 3302 1 6 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.102 -0.227 17783 3303 1 6 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.297 -1.012 17783 3304 1 6 . 1 1 88 88 VAL H H 410 7.355 7.355 7.773 -0.418 17783 3305 1 6 . 1 1 89 89 GLN N N 411 119.387 119.387 120.227 -0.840 17783 3306 1 6 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.968 -0.324 17783 3307 1 6 . 1 1 89 89 GLN C C 411 179.168 179.168 178.549 0.619 17783 3308 1 6 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.978 1.734 17783 3309 1 6 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.610 -0.100 17783 3310 1 6 . 1 1 89 89 GLN H H 411 8.271 8.271 8.261 0.010 17783 3311 1 6 . 1 1 90 90 ALA N N 412 118.634 118.634 123.453 -4.819 17783 3312 1 6 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.131 0.134 17783 3313 1 6 . 1 1 90 90 ALA C C 412 177.949 177.949 178.755 -0.806 17783 3314 1 6 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.815 -0.874 17783 3315 1 6 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.397 -0.070 17783 3316 1 6 . 1 1 90 90 ALA H H 412 7.794 7.794 8.717 -0.923 17783 3317 1 6 . 1 1 91 91 LYS N N 413 115.842 115.842 115.630 0.212 17783 3318 1 6 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.216 0.116 17783 3319 1 6 . 1 1 91 91 LYS C C 413 175.829 175.829 176.156 -0.327 17783 3320 1 6 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.157 0.213 17783 3321 1 6 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.576 -0.093 17783 3322 1 6 . 1 1 91 91 LYS H H 413 7.398 7.398 7.581 -0.183 17783 3323 1 6 . 1 1 92 92 ASN N N 414 113.776 113.776 116.805 -3.029 17783 3324 1 6 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.538 -0.002 17783 3325 1 6 . 1 1 92 92 ASN C C 414 171.075 171.075 172.801 -1.726 17783 3326 1 6 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.361 0.702 17783 3327 1 6 . 1 1 92 92 ASN CB C 414 37.081 37.081 37.251 -0.170 17783 3328 1 6 . 1 1 92 92 ASN H H 414 8.178 8.178 8.144 0.034 17783 3329 1 6 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.591 0.411 17783 3330 1 6 . 1 1 93 93 PRO C C 415 175.682 175.682 176.520 -0.838 17783 3331 1 6 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.479 0.011 17783 3332 1 6 . 1 1 93 93 PRO CB C 415 33.585 33.585 31.439 2.146 17783 3333 1 6 . 1 1 94 94 TRP N N 416 117.925 117.925 124.664 -6.739 17783 3334 1 6 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.726 0.291 17783 3335 1 6 . 1 1 94 94 TRP C C 416 173.607 173.607 175.089 -1.482 17783 3336 1 6 . 1 1 94 94 TRP CA C 416 53.995 53.995 53.957 0.038 17783 3337 1 6 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.396 2.111 17783 3338 1 6 . 1 1 94 94 TRP H H 416 7.921 7.921 8.114 -0.193 17783 3339 1 6 . 1 1 95 95 ALA N N 417 123.924 123.924 126.641 -2.717 17783 3340 1 6 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.223 0.532 17783 3341 1 6 . 1 1 95 95 ALA C C 417 174.171 174.171 176.174 -2.003 17783 3342 1 6 . 1 1 95 95 ALA CA C 417 51.637 51.637 51.822 -0.185 17783 3343 1 6 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.372 1.095 17783 3344 1 6 . 1 1 95 95 ALA H H 417 8.878 8.878 8.311 0.567 17783 3345 1 6 . 1 1 96 96 LYS N N 418 129.441 129.441 126.907 2.534 17783 3346 1 6 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.020 1.001 17783 3347 1 6 . 1 1 96 96 LYS C C 418 173.451 173.451 173.836 -0.385 17783 3348 1 6 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.386 0.178 17783 3349 1 6 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.651 4.332 17783 3350 1 6 . 1 1 96 96 LYS H H 418 9.235 9.235 7.638 1.597 17783 3351 1 6 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.058 -0.294 17783 3352 1 6 . 1 1 97 97 PRO C C 419 178.893 178.893 177.771 1.122 17783 3353 1 6 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.819 0.076 17783 3354 1 6 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.292 0.428 17783 3355 1 6 . 1 1 98 98 LEU N N 420 126.746 126.746 121.256 5.490 17783 3356 1 6 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.087 -0.284 17783 3357 1 6 . 1 1 98 98 LEU C C 420 179.040 179.040 178.505 0.535 17783 3358 1 6 . 1 1 98 98 LEU CA C 420 57.368 57.368 55.813 1.555 17783 3359 1 6 . 1 1 98 98 LEU CB C 420 39.941 39.941 40.954 -1.013 17783 3360 1 6 . 1 1 98 98 LEU H H 420 9.179 9.179 8.140 1.039 17783 3361 1 6 . 1 1 99 99 ARG N N 421 118.262 118.262 118.296 -0.034 17783 3362 1 6 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.808 0.251 17783 3363 1 6 . 1 1 99 99 ARG C C 421 178.140 178.140 177.229 0.911 17783 3364 1 6 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.891 0.202 17783 3365 1 6 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.762 0.195 17783 3366 1 6 . 1 1 99 99 ARG H H 421 8.014 8.014 8.396 -0.382 17783 3367 1 6 . 1 1 100 100 GLN N N 422 116.539 116.539 114.976 1.563 17783 3368 1 6 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.355 -0.145 17783 3369 1 6 . 1 1 100 100 GLN C C 422 177.594 177.594 178.119 -0.525 17783 3370 1 6 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.474 0.259 17783 3371 1 6 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.454 -0.276 17783 3372 1 6 . 1 1 100 100 GLN H H 422 7.258 7.258 7.480 -0.222 17783 3373 1 6 . 1 1 101 101 VAL N N 423 119.665 119.665 120.893 -1.228 17783 3374 1 6 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.694 -0.146 17783 3375 1 6 . 1 1 101 101 VAL C C 423 177.040 177.040 178.565 -1.525 17783 3376 1 6 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.883 -0.436 17783 3377 1 6 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.099 1.454 17783 3378 1 6 . 1 1 101 101 VAL H H 423 7.090 7.090 8.382 -1.292 17783 3379 1 6 . 1 1 102 102 GLN N N 424 115.032 115.032 117.769 -2.737 17783 3380 1 6 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.971 -0.406 17783 3381 1 6 . 1 1 102 102 GLN C C 424 177.994 177.994 177.036 0.958 17783 3382 1 6 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.923 0.960 17783 3383 1 6 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.008 -0.948 17783 3384 1 6 . 1 1 102 102 GLN H H 424 8.553 8.553 8.013 0.540 17783 3385 1 6 . 1 1 103 103 ALA N N 425 120.742 120.742 122.398 -1.656 17783 3386 1 6 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.008 0.150 17783 3387 1 6 . 1 1 103 103 ALA C C 425 178.545 178.545 179.025 -0.480 17783 3388 1 6 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.844 -0.569 17783 3389 1 6 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.760 -0.438 17783 3390 1 6 . 1 1 103 103 ALA H H 425 7.366 7.366 8.220 -0.854 17783 3391 1 6 . 1 1 104 104 ASP N N 426 117.066 117.066 119.545 -2.479 17783 3392 1 6 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.453 0.255 17783 3393 1 6 . 1 1 104 104 ASP C C 426 176.876 176.876 178.630 -1.754 17783 3394 1 6 . 1 1 104 104 ASP CA C 426 55.223 55.223 56.444 -1.221 17783 3395 1 6 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.776 1.724 17783 3396 1 6 . 1 1 104 104 ASP H H 426 7.628 7.628 7.811 -0.183 17783 3397 1 6 . 1 1 105 105 LEU N N 427 119.853 119.853 119.518 0.335 17783 3398 1 6 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.293 0.006 17783 3399 1 6 . 1 1 105 105 LEU C C 427 176.118 176.118 175.686 0.432 17783 3400 1 6 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.553 0.433 17783 3401 1 6 . 1 1 105 105 LEU CB C 427 42.078 42.078 39.739 2.340 17783 3402 1 6 . 1 1 105 105 LEU H H 427 7.242 7.242 7.644 -0.402 17783 3403 1 7 . 1 1 2 2 ARG N N 324 121.883 121.883 122.983 -1.100 17783 3404 1 7 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.394 -0.050 17783 3405 1 7 . 1 1 2 2 ARG C C 324 176.887 176.887 176.982 -0.095 17783 3406 1 7 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.542 -0.037 17783 3407 1 7 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.362 0.372 17783 3408 1 7 . 1 1 2 2 ARG H H 324 8.373 8.373 8.354 0.019 17783 3409 1 7 . 1 1 3 3 GLY N N 325 111.231 111.231 108.119 3.112 17783 3410 1 7 . 1 1 3 3 GLY C C 325 174.037 174.037 174.861 -0.824 17783 3411 1 7 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.301 -0.073 17783 3412 1 7 . 1 1 3 3 GLY H H 325 8.683 8.683 8.392 0.291 17783 3413 1 7 . 1 1 4 4 SER N N 326 115.541 115.541 116.080 -0.539 17783 3414 1 7 . 1 1 4 4 SER HA H 326 4.377 4.377 4.347 0.030 17783 3415 1 7 . 1 1 4 4 SER C C 326 174.454 174.454 173.697 0.757 17783 3416 1 7 . 1 1 4 4 SER CA C 326 58.315 58.315 58.587 -0.272 17783 3417 1 7 . 1 1 4 4 SER CB C 326 63.902 63.902 61.961 1.941 17783 3418 1 7 . 1 1 4 4 SER H H 326 8.237 8.237 8.281 -0.044 17783 3419 1 7 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.501 0.079 17783 3420 1 7 . 1 1 10 10 HIS C C 332 175.292 175.292 173.855 1.437 17783 3421 1 7 . 1 1 10 10 HIS CA C 332 55.946 55.946 54.498 1.448 17783 3422 1 7 . 1 1 10 10 HIS CB C 332 30.123 30.123 30.107 0.016 17783 3423 1 7 . 1 1 11 11 GLY N N 333 110.527 110.527 109.301 1.226 17783 3424 1 7 . 1 1 11 11 GLY C C 333 174.126 174.126 174.526 -0.400 17783 3425 1 7 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.691 0.636 17783 3426 1 7 . 1 1 11 11 GLY H H 333 8.540 8.540 7.921 0.619 17783 3427 1 7 . 1 1 12 12 SER N N 334 115.752 115.752 115.007 0.745 17783 3428 1 7 . 1 1 12 12 SER HA H 334 4.436 4.436 4.348 0.088 17783 3429 1 7 . 1 1 12 12 SER C C 334 174.538 174.538 174.537 0.001 17783 3430 1 7 . 1 1 12 12 SER CA C 334 58.486 58.486 58.041 0.445 17783 3431 1 7 . 1 1 12 12 SER CB C 334 63.927 63.927 64.343 -0.416 17783 3432 1 7 . 1 1 12 12 SER H H 334 8.356 8.356 8.014 0.342 17783 3433 1 7 . 1 1 13 13 ASN N N 335 120.410 120.410 119.297 1.113 17783 3434 1 7 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.630 0.099 17783 3435 1 7 . 1 1 13 13 ASN C C 335 175.116 175.116 174.812 0.304 17783 3436 1 7 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.675 -0.289 17783 3437 1 7 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.671 -0.003 17783 3438 1 7 . 1 1 13 13 ASN H H 335 8.575 8.575 8.507 0.068 17783 3439 1 7 . 1 1 14 14 ASN N N 336 119.094 119.094 121.173 -2.079 17783 3440 1 7 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.906 -0.177 17783 3441 1 7 . 1 1 14 14 ASN C C 336 175.395 175.395 174.384 1.011 17783 3442 1 7 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.168 0.217 17783 3443 1 7 . 1 1 14 14 ASN CB C 336 38.669 38.669 39.367 -0.698 17783 3444 1 7 . 1 1 14 14 ASN H H 336 8.447 8.447 8.691 -0.244 17783 3445 1 7 . 1 1 15 15 ASN N N 337 118.915 118.915 116.449 2.466 17783 3446 1 7 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.749 -0.215 17783 3447 1 7 . 1 1 15 15 ASN C C 337 176.390 176.390 173.916 2.474 17783 3448 1 7 . 1 1 15 15 ASN CA C 337 53.991 53.991 52.824 1.167 17783 3449 1 7 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.817 -1.196 17783 3450 1 7 . 1 1 15 15 ASN H H 337 8.446 8.446 8.402 0.044 17783 3451 1 7 . 1 1 16 16 GLY N N 338 108.851 108.851 106.678 2.173 17783 3452 1 7 . 1 1 16 16 GLY C C 338 175.459 175.459 175.248 0.211 17783 3453 1 7 . 1 1 16 16 GLY CA C 338 46.752 46.752 46.063 0.689 17783 3454 1 7 . 1 1 16 16 GLY H H 338 8.454 8.454 8.455 -0.001 17783 3455 1 7 . 1 1 17 17 SER N N 339 116.218 116.218 117.259 -1.041 17783 3456 1 7 . 1 1 17 17 SER HA H 339 4.229 4.229 4.354 -0.125 17783 3457 1 7 . 1 1 17 17 SER C C 339 175.869 175.869 176.017 -0.148 17783 3458 1 7 . 1 1 17 17 SER CA C 339 59.759 59.759 59.803 -0.044 17783 3459 1 7 . 1 1 17 17 SER CB C 339 62.973 62.973 63.171 -0.198 17783 3460 1 7 . 1 1 17 17 SER H H 339 8.170 8.170 8.082 0.088 17783 3461 1 7 . 1 1 18 18 LEU N N 340 121.515 121.515 122.861 -1.346 17783 3462 1 7 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.234 -0.232 17783 3463 1 7 . 1 1 18 18 LEU C C 340 178.399 178.399 177.643 0.756 17783 3464 1 7 . 1 1 18 18 LEU CA C 340 57.151 57.151 55.509 1.642 17783 3465 1 7 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.037 1.039 17783 3466 1 7 . 1 1 18 18 LEU H H 340 7.790 7.790 7.915 -0.125 17783 3467 1 7 . 1 1 19 19 LYS N N 341 117.145 117.145 118.852 -1.707 17783 3468 1 7 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.048 -0.240 17783 3469 1 7 . 1 1 19 19 LYS C C 341 176.960 176.960 177.111 -0.151 17783 3470 1 7 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.688 0.504 17783 3471 1 7 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.778 1.015 17783 3472 1 7 . 1 1 19 19 LYS H H 341 7.893 7.893 7.498 0.395 17783 3473 1 7 . 1 1 20 20 SER N N 342 110.377 110.377 113.777 -3.400 17783 3474 1 7 . 1 1 20 20 SER HA H 342 4.369 4.369 4.326 0.043 17783 3475 1 7 . 1 1 20 20 SER C C 342 173.735 173.735 174.506 -0.771 17783 3476 1 7 . 1 1 20 20 SER CA C 342 58.141 58.141 59.400 -1.259 17783 3477 1 7 . 1 1 20 20 SER CB C 342 63.900 63.900 62.781 1.119 17783 3478 1 7 . 1 1 20 20 SER H H 342 7.546 7.546 7.531 0.015 17783 3479 1 7 . 1 1 21 21 ALA N N 343 125.662 125.662 125.053 0.609 17783 3480 1 7 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.559 -0.197 17783 3481 1 7 . 1 1 21 21 ALA C C 343 174.051 174.051 175.293 -1.242 17783 3482 1 7 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.541 1.031 17783 3483 1 7 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.914 -0.780 17783 3484 1 7 . 1 1 21 21 ALA H H 343 6.852 6.852 7.403 -0.551 17783 3485 1 7 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.360 -0.122 17783 3486 1 7 . 1 1 22 22 PRO C C 344 178.184 178.184 176.237 1.947 17783 3487 1 7 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.731 0.351 17783 3488 1 7 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.660 0.944 17783 3489 1 7 . 1 1 23 23 SER N N 345 118.662 118.662 118.987 -0.325 17783 3490 1 7 . 1 1 23 23 SER HA H 345 3.825 3.825 4.198 -0.373 17783 3491 1 7 . 1 1 23 23 SER C C 345 174.231 174.231 175.569 -1.338 17783 3492 1 7 . 1 1 23 23 SER CA C 345 60.892 60.892 57.318 3.574 17783 3493 1 7 . 1 1 23 23 SER CB C 345 63.223 63.223 63.051 0.172 17783 3494 1 7 . 1 1 23 23 SER H H 345 8.566 8.566 8.244 0.322 17783 3495 1 7 . 1 1 24 24 SER N N 346 111.938 111.938 115.603 -3.665 17783 3496 1 7 . 1 1 24 24 SER HA H 346 4.383 4.383 4.255 0.128 17783 3497 1 7 . 1 1 24 24 SER C C 346 175.152 175.152 175.293 -0.141 17783 3498 1 7 . 1 1 24 24 SER CA C 346 58.247 58.247 60.275 -2.028 17783 3499 1 7 . 1 1 24 24 SER CB C 346 63.958 63.958 63.221 0.737 17783 3500 1 7 . 1 1 24 24 SER H H 346 7.675 7.675 7.778 -0.103 17783 3501 1 7 . 1 1 25 25 HIS N N 347 122.882 122.882 120.051 2.831 17783 3502 1 7 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.568 0.282 17783 3503 1 7 . 1 1 25 25 HIS C C 347 173.574 173.574 174.794 -1.220 17783 3504 1 7 . 1 1 25 25 HIS CA C 347 56.075 56.075 56.501 -0.426 17783 3505 1 7 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.129 1.719 17783 3506 1 7 . 1 1 25 25 HIS H H 347 7.628 7.628 7.484 0.144 17783 3507 1 7 . 1 1 26 26 TYR N N 348 117.921 117.921 120.726 -2.805 17783 3508 1 7 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.652 0.337 17783 3509 1 7 . 1 1 26 26 TYR C C 348 174.086 174.086 175.126 -1.040 17783 3510 1 7 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.261 -0.074 17783 3511 1 7 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.386 1.448 17783 3512 1 7 . 1 1 26 26 TYR H H 348 9.606 9.606 8.527 1.079 17783 3513 1 7 . 1 1 27 27 THR N N 349 115.914 115.914 114.213 1.701 17783 3514 1 7 . 1 1 27 27 THR HA H 349 5.027 5.027 4.762 0.265 17783 3515 1 7 . 1 1 27 27 THR C C 349 172.904 172.904 173.275 -0.371 17783 3516 1 7 . 1 1 27 27 THR CA C 349 58.835 58.835 61.745 -2.910 17783 3517 1 7 . 1 1 27 27 THR CB C 349 70.587 70.587 69.529 1.058 17783 3518 1 7 . 1 1 27 27 THR H H 349 8.974 8.974 8.454 0.520 17783 3519 1 7 . 1 1 28 28 LEU N N 350 123.392 123.392 127.136 -3.744 17783 3520 1 7 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.275 0.714 17783 3521 1 7 . 1 1 28 28 LEU C C 350 176.111 176.111 176.601 -0.490 17783 3522 1 7 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.399 -2.301 17783 3523 1 7 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.466 2.404 17783 3524 1 7 . 1 1 28 28 LEU H H 350 8.249 8.249 8.676 -0.427 17783 3525 1 7 . 1 1 29 29 GLN N N 351 122.797 122.797 116.711 6.086 17783 3526 1 7 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.577 -0.024 17783 3527 1 7 . 1 1 29 29 GLN C C 351 175.435 175.435 176.144 -0.709 17783 3528 1 7 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.750 1.193 17783 3529 1 7 . 1 1 29 29 GLN CB C 351 27.231 27.231 31.259 -4.028 17783 3530 1 7 . 1 1 29 29 GLN H H 351 8.915 8.915 7.964 0.951 17783 3531 1 7 . 1 1 30 30 LEU N N 352 125.239 125.239 125.961 -0.722 17783 3532 1 7 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.388 -0.021 17783 3533 1 7 . 1 1 30 30 LEU C C 352 177.250 177.250 176.368 0.882 17783 3534 1 7 . 1 1 30 30 LEU CA C 352 56.101 56.101 57.097 -0.996 17783 3535 1 7 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.873 0.227 17783 3536 1 7 . 1 1 30 30 LEU H H 352 8.920 8.920 8.429 0.491 17783 3537 1 7 . 1 1 31 31 SER N N 353 106.816 106.816 108.672 -1.856 17783 3538 1 7 . 1 1 31 31 SER HA H 353 4.493 4.493 4.581 -0.088 17783 3539 1 7 . 1 1 31 31 SER C C 353 171.831 171.831 172.378 -0.547 17783 3540 1 7 . 1 1 31 31 SER CA C 353 57.160 57.160 57.714 -0.554 17783 3541 1 7 . 1 1 31 31 SER CB C 353 64.360 64.360 64.521 -0.161 17783 3542 1 7 . 1 1 31 31 SER H H 353 7.548 7.548 7.923 -0.375 17783 3543 1 7 . 1 1 32 32 SER N N 354 113.518 113.518 114.563 -1.045 17783 3544 1 7 . 1 1 32 32 SER HA H 354 5.026 5.026 4.152 0.874 17783 3545 1 7 . 1 1 32 32 SER C C 354 172.512 172.512 172.257 0.255 17783 3546 1 7 . 1 1 32 32 SER CA C 354 57.285 57.285 57.071 0.214 17783 3547 1 7 . 1 1 32 32 SER CB C 354 65.347 65.347 63.640 1.707 17783 3548 1 7 . 1 1 32 32 SER H H 354 8.127 8.127 8.149 -0.022 17783 3549 1 7 . 1 1 33 33 SER N N 355 114.624 114.624 115.271 -0.647 17783 3550 1 7 . 1 1 33 33 SER HA H 355 4.106 4.106 4.296 -0.190 17783 3551 1 7 . 1 1 33 33 SER C C 355 171.639 171.639 171.947 -0.308 17783 3552 1 7 . 1 1 33 33 SER CA C 355 57.276 57.276 57.841 -0.565 17783 3553 1 7 . 1 1 33 33 SER CB C 355 64.539 64.539 64.343 0.196 17783 3554 1 7 . 1 1 33 33 SER H H 355 8.616 8.616 6.426 2.190 17783 3555 1 7 . 1 1 34 34 SER N N 356 116.467 116.467 115.301 1.166 17783 3556 1 7 . 1 1 34 34 SER HA H 356 4.241 4.241 5.002 -0.761 17783 3557 1 7 . 1 1 34 34 SER C C 356 173.820 173.820 172.955 0.865 17783 3558 1 7 . 1 1 34 34 SER CA C 356 59.074 59.074 58.177 0.897 17783 3559 1 7 . 1 1 34 34 SER CB C 356 63.741 63.741 64.000 -0.259 17783 3560 1 7 . 1 1 34 34 SER H H 356 8.132 8.132 8.405 -0.273 17783 3561 1 7 . 1 1 35 35 ASN N N 357 122.206 122.206 118.927 3.279 17783 3562 1 7 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.109 -0.188 17783 3563 1 7 . 1 1 35 35 ASN C C 357 172.965 172.965 174.228 -1.263 17783 3564 1 7 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.431 -0.984 17783 3565 1 7 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.899 0.026 17783 3566 1 7 . 1 1 35 35 ASN H H 357 8.511 8.511 8.110 0.401 17783 3567 1 7 . 1 1 36 36 TYR N N 358 127.519 127.519 125.065 2.454 17783 3568 1 7 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.896 -0.924 17783 3569 1 7 . 1 1 36 36 TYR C C 358 176.522 176.522 176.416 0.106 17783 3570 1 7 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.206 -0.237 17783 3571 1 7 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.726 -1.015 17783 3572 1 7 . 1 1 36 36 TYR H H 358 8.002 8.002 8.941 -0.939 17783 3573 1 7 . 1 1 37 37 ASP N N 359 118.658 118.658 118.594 0.064 17783 3574 1 7 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.351 -0.207 17783 3575 1 7 . 1 1 37 37 ASP C C 359 179.804 179.804 178.773 1.031 17783 3576 1 7 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.286 -0.783 17783 3577 1 7 . 1 1 37 37 ASP CB C 359 40.178 40.178 39.933 0.245 17783 3578 1 7 . 1 1 37 37 ASP H H 359 8.033 8.033 8.885 -0.852 17783 3579 1 7 . 1 1 38 38 ASN N N 360 119.802 119.802 117.427 2.375 17783 3580 1 7 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.558 -0.255 17783 3581 1 7 . 1 1 38 38 ASN C C 360 177.720 177.720 177.582 0.138 17783 3582 1 7 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.550 -0.100 17783 3583 1 7 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.375 -0.612 17783 3584 1 7 . 1 1 38 38 ASN H H 360 8.380 8.380 8.266 0.114 17783 3585 1 7 . 1 1 39 39 LEU N N 361 121.625 121.625 121.256 0.369 17783 3586 1 7 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.181 -0.084 17783 3587 1 7 . 1 1 39 39 LEU C C 361 177.738 177.738 178.038 -0.300 17783 3588 1 7 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.103 -0.538 17783 3589 1 7 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.845 0.883 17783 3590 1 7 . 1 1 39 39 LEU H H 361 7.243 7.243 7.852 -0.609 17783 3591 1 7 . 1 1 40 40 ASN N N 362 116.601 116.601 116.880 -0.279 17783 3592 1 7 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.156 -0.011 17783 3593 1 7 . 1 1 40 40 ASN C C 362 177.253 177.253 177.958 -0.705 17783 3594 1 7 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.902 -0.375 17783 3595 1 7 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.542 1.784 17783 3596 1 7 . 1 1 40 40 ASN H H 362 8.284 8.284 8.572 -0.288 17783 3597 1 7 . 1 1 41 41 GLY N N 363 104.958 104.958 108.062 -3.104 17783 3598 1 7 . 1 1 41 41 GLY C C 363 176.323 176.323 175.683 0.640 17783 3599 1 7 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.777 0.062 17783 3600 1 7 . 1 1 41 41 GLY H H 363 8.334 8.334 7.631 0.703 17783 3601 1 7 . 1 1 42 42 TRP N N 364 125.066 125.066 124.384 0.682 17783 3602 1 7 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.254 -0.028 17783 3603 1 7 . 1 1 42 42 TRP C C 364 176.509 176.509 177.638 -1.129 17783 3604 1 7 . 1 1 42 42 TRP CA C 364 61.489 61.489 61.074 0.415 17783 3605 1 7 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.308 -1.433 17783 3606 1 7 . 1 1 42 42 TRP H H 364 7.833 7.833 7.919 -0.086 17783 3607 1 7 . 1 1 43 43 ALA N N 365 120.030 120.030 120.848 -0.818 17783 3608 1 7 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.435 -0.441 17783 3609 1 7 . 1 1 43 43 ALA C C 365 179.186 179.186 179.541 -0.355 17783 3610 1 7 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.373 -0.372 17783 3611 1 7 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.165 -1.077 17783 3612 1 7 . 1 1 43 43 ALA H H 365 7.701 7.701 8.371 -0.670 17783 3613 1 7 . 1 1 44 44 LYS N N 366 115.064 115.064 115.770 -0.706 17783 3614 1 7 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.991 0.042 17783 3615 1 7 . 1 1 44 44 LYS C C 366 180.830 180.830 178.884 1.946 17783 3616 1 7 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.489 0.502 17783 3617 1 7 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.364 -0.014 17783 3618 1 7 . 1 1 44 44 LYS H H 366 7.562 7.562 7.832 -0.270 17783 3619 1 7 . 1 1 45 45 LYS N N 367 123.180 123.180 121.045 2.135 17783 3620 1 7 . 1 1 45 45 LYS HA H 367 3.907 3.907 3.984 -0.077 17783 3621 1 7 . 1 1 45 45 LYS C C 367 178.319 178.319 178.508 -0.189 17783 3622 1 7 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.889 0.154 17783 3623 1 7 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.334 -0.268 17783 3624 1 7 . 1 1 45 45 LYS H H 367 8.067 8.067 7.828 0.239 17783 3625 1 7 . 1 1 46 46 GLU N N 368 114.882 114.882 115.357 -0.475 17783 3626 1 7 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.067 -0.150 17783 3627 1 7 . 1 1 46 46 GLU C C 368 174.639 174.639 175.756 -1.117 17783 3628 1 7 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.707 -1.691 17783 3629 1 7 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.083 -1.406 17783 3630 1 7 . 1 1 46 46 GLU H H 368 7.488 7.488 7.410 0.078 17783 3631 1 7 . 1 1 47 47 ASN N N 369 114.944 114.944 115.809 -0.865 17783 3632 1 7 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.245 0.027 17783 3633 1 7 . 1 1 47 47 ASN C C 369 174.759 174.759 174.139 0.620 17783 3634 1 7 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.513 0.191 17783 3635 1 7 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.999 0.060 17783 3636 1 7 . 1 1 47 47 ASN H H 369 7.772 7.772 7.508 0.264 17783 3637 1 7 . 1 1 48 48 LEU N N 370 116.008 116.008 120.068 -4.060 17783 3638 1 7 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.817 0.303 17783 3639 1 7 . 1 1 48 48 LEU C C 370 177.056 177.056 176.080 0.976 17783 3640 1 7 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.481 -0.363 17783 3641 1 7 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.111 1.806 17783 3642 1 7 . 1 1 48 48 LEU H H 370 7.463 7.463 7.435 0.028 17783 3643 1 7 . 1 1 49 49 LYS N N 371 120.012 120.012 124.252 -4.240 17783 3644 1 7 . 1 1 49 49 LYS HA H 371 4.560 4.560 3.954 0.606 17783 3645 1 7 . 1 1 49 49 LYS C C 371 176.481 176.481 177.083 -0.602 17783 3646 1 7 . 1 1 49 49 LYS CA C 371 55.329 55.329 56.520 -1.191 17783 3647 1 7 . 1 1 49 49 LYS CB C 371 34.555 34.555 32.956 1.599 17783 3648 1 7 . 1 1 49 49 LYS H H 371 8.518 8.518 7.967 0.551 17783 3649 1 7 . 1 1 50 50 ASN N N 372 117.610 117.610 118.209 -0.599 17783 3650 1 7 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.492 0.022 17783 3651 1 7 . 1 1 50 50 ASN C C 372 173.445 173.445 173.278 0.167 17783 3652 1 7 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.630 -1.193 17783 3653 1 7 . 1 1 50 50 ASN CB C 372 37.932 37.932 37.962 -0.030 17783 3654 1 7 . 1 1 50 50 ASN H H 372 8.734 8.734 8.400 0.334 17783 3655 1 7 . 1 1 51 51 TYR N N 373 117.151 117.151 119.798 -2.647 17783 3656 1 7 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.916 0.479 17783 3657 1 7 . 1 1 51 51 TYR C C 373 173.549 173.549 173.244 0.305 17783 3658 1 7 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.179 -0.397 17783 3659 1 7 . 1 1 51 51 TYR CB C 373 40.411 40.411 39.874 0.537 17783 3660 1 7 . 1 1 51 51 TYR H H 373 7.570 7.570 7.997 -0.427 17783 3661 1 7 . 1 1 52 52 VAL N N 374 120.887 120.887 122.964 -2.077 17783 3662 1 7 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.141 0.157 17783 3663 1 7 . 1 1 52 52 VAL C C 374 174.289 174.289 175.004 -0.715 17783 3664 1 7 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.417 0.297 17783 3665 1 7 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.398 2.186 17783 3666 1 7 . 1 1 52 52 VAL H H 374 9.140 9.140 8.579 0.561 17783 3667 1 7 . 1 1 53 53 VAL N N 375 126.060 126.060 121.948 4.112 17783 3668 1 7 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.300 1.115 17783 3669 1 7 . 1 1 53 53 VAL C C 375 175.803 175.803 175.615 0.188 17783 3670 1 7 . 1 1 53 53 VAL CA C 375 60.656 60.656 61.785 -1.129 17783 3671 1 7 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.356 1.380 17783 3672 1 7 . 1 1 53 53 VAL H H 375 8.600 8.600 8.027 0.573 17783 3673 1 7 . 1 1 54 54 TYR N N 376 125.706 125.706 124.734 0.972 17783 3674 1 7 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.035 0.387 17783 3675 1 7 . 1 1 54 54 TYR C C 376 172.139 172.139 173.399 -1.260 17783 3676 1 7 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.861 -0.732 17783 3677 1 7 . 1 1 54 54 TYR CB C 376 41.657 41.657 39.651 2.006 17783 3678 1 7 . 1 1 54 54 TYR H H 376 9.292 9.292 8.392 0.900 17783 3679 1 7 . 1 1 55 55 GLU N N 377 122.063 122.063 119.852 2.211 17783 3680 1 7 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.922 0.792 17783 3681 1 7 . 1 1 55 55 GLU C C 377 175.011 175.011 175.291 -0.280 17783 3682 1 7 . 1 1 55 55 GLU CA C 377 55.143 55.143 54.729 0.414 17783 3683 1 7 . 1 1 55 55 GLU CB C 377 32.659 32.659 31.307 1.352 17783 3684 1 7 . 1 1 55 55 GLU H H 377 8.758 8.758 8.601 0.158 17783 3685 1 7 . 1 1 56 56 THR N N 378 122.855 122.855 115.171 7.684 17783 3686 1 7 . 1 1 56 56 THR HA H 378 4.848 4.848 4.572 0.276 17783 3687 1 7 . 1 1 56 56 THR C C 378 173.550 173.550 172.567 0.983 17783 3688 1 7 . 1 1 56 56 THR CA C 378 58.732 58.732 60.642 -1.910 17783 3689 1 7 . 1 1 56 56 THR CB C 378 70.181 70.181 69.752 0.429 17783 3690 1 7 . 1 1 56 56 THR H H 378 9.160 9.160 7.667 1.493 17783 3691 1 7 . 1 1 57 57 THR N N 379 116.629 116.629 113.021 3.608 17783 3692 1 7 . 1 1 57 57 THR HA H 379 5.145 5.145 4.631 0.514 17783 3693 1 7 . 1 1 57 57 THR C C 379 173.973 173.973 173.234 0.739 17783 3694 1 7 . 1 1 57 57 THR CA C 379 60.517 60.517 60.407 0.110 17783 3695 1 7 . 1 1 57 57 THR CB C 379 71.582 71.582 70.483 1.099 17783 3696 1 7 . 1 1 57 57 THR H H 379 8.677 8.677 8.439 0.238 17783 3697 1 7 . 1 1 58 58 ARG N N 380 124.546 124.546 125.063 -0.517 17783 3698 1 7 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.464 -0.156 17783 3699 1 7 . 1 1 58 58 ARG C C 380 176.074 176.074 174.964 1.110 17783 3700 1 7 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.843 -1.333 17783 3701 1 7 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.452 1.021 17783 3702 1 7 . 1 1 58 58 ARG H H 380 9.117 9.117 8.634 0.483 17783 3703 1 7 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.564 -0.258 17783 3704 1 7 . 1 1 59 59 ASN C C 381 175.444 175.444 175.991 -0.547 17783 3705 1 7 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.329 0.908 17783 3706 1 7 . 1 1 59 59 ASN CB C 381 37.213 37.213 38.102 -0.888 17783 3707 1 7 . 1 1 60 60 GLY N N 382 103.015 103.015 106.776 -3.761 17783 3708 1 7 . 1 1 60 60 GLY C C 382 173.488 173.488 173.633 -0.145 17783 3709 1 7 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.835 -0.362 17783 3710 1 7 . 1 1 60 60 GLY H H 382 8.639 8.639 8.694 -0.055 17783 3711 1 7 . 1 1 61 61 GLN N N 383 119.903 119.903 118.656 1.247 17783 3712 1 7 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.657 0.343 17783 3713 1 7 . 1 1 61 61 GLN C C 383 172.730 172.730 173.560 -0.830 17783 3714 1 7 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.435 0.256 17783 3715 1 7 . 1 1 61 61 GLN CB C 383 30.711 30.711 29.896 0.815 17783 3716 1 7 . 1 1 61 61 GLN H H 383 7.697 7.697 7.319 0.378 17783 3717 1 7 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.531 0.083 17783 3718 1 7 . 1 1 62 62 PRO C C 384 175.576 175.576 175.630 -0.054 17783 3719 1 7 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.915 1.087 17783 3720 1 7 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.138 0.407 17783 3721 1 7 . 1 1 63 63 TRP N N 385 126.621 126.621 121.843 4.778 17783 3722 1 7 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.771 -0.260 17783 3723 1 7 . 1 1 63 63 TRP C C 385 172.096 172.096 173.361 -1.265 17783 3724 1 7 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.960 0.122 17783 3725 1 7 . 1 1 63 63 TRP CB C 385 34.174 34.174 31.923 2.251 17783 3726 1 7 . 1 1 63 63 TRP H H 385 8.063 8.063 7.692 0.371 17783 3727 1 7 . 1 1 64 64 TYR N N 386 124.129 124.129 121.784 2.345 17783 3728 1 7 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.266 0.952 17783 3729 1 7 . 1 1 64 64 TYR C C 386 173.544 173.544 174.121 -0.577 17783 3730 1 7 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.633 0.136 17783 3731 1 7 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.832 3.601 17783 3732 1 7 . 1 1 64 64 TYR H H 386 7.954 7.954 7.862 0.092 17783 3733 1 7 . 1 1 65 65 VAL N N 387 121.167 121.167 121.164 0.003 17783 3734 1 7 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.286 -0.423 17783 3735 1 7 . 1 1 65 65 VAL C C 387 172.675 172.675 175.034 -2.359 17783 3736 1 7 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.698 0.559 17783 3737 1 7 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.666 0.466 17783 3738 1 7 . 1 1 65 65 VAL H H 387 8.409 8.409 6.953 1.456 17783 3739 1 7 . 1 1 66 66 LEU N N 388 127.479 127.479 127.733 -0.254 17783 3740 1 7 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.810 0.613 17783 3741 1 7 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.890 -0.394 17783 3742 1 7 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.676 1.079 17783 3743 1 7 . 1 1 66 66 LEU H H 388 8.200 8.200 8.487 -0.287 17783 3744 1 7 . 1 1 67 67 VAL N N 389 120.778 120.778 118.326 2.452 17783 3745 1 7 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.554 1.286 17783 3746 1 7 . 1 1 67 67 VAL C C 389 174.934 174.934 174.629 0.305 17783 3747 1 7 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.695 -2.868 17783 3748 1 7 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.691 -0.998 17783 3749 1 7 . 1 1 67 67 VAL H H 389 9.314 9.314 8.321 0.993 17783 3750 1 7 . 1 1 68 68 SER N N 390 113.588 113.588 120.552 -6.964 17783 3751 1 7 . 1 1 68 68 SER HA H 390 4.850 4.850 4.748 0.102 17783 3752 1 7 . 1 1 68 68 SER C C 390 174.691 174.691 175.577 -0.886 17783 3753 1 7 . 1 1 68 68 SER CA C 390 58.213 58.213 57.010 1.203 17783 3754 1 7 . 1 1 68 68 SER CB C 390 66.007 66.007 63.305 2.702 17783 3755 1 7 . 1 1 68 68 SER H H 390 8.803 8.803 8.423 0.380 17783 3756 1 7 . 1 1 69 69 GLY N N 391 115.161 115.161 116.003 -0.842 17783 3757 1 7 . 1 1 69 69 GLY C C 391 172.208 172.208 172.273 -0.065 17783 3758 1 7 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.779 -1.454 17783 3759 1 7 . 1 1 69 69 GLY H H 391 8.436 8.436 8.640 -0.204 17783 3760 1 7 . 1 1 70 70 VAL N N 392 117.033 117.033 116.039 0.994 17783 3761 1 7 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.296 0.184 17783 3762 1 7 . 1 1 70 70 VAL C C 392 174.635 174.635 174.454 0.181 17783 3763 1 7 . 1 1 70 70 VAL CA C 392 62.203 62.203 60.436 1.767 17783 3764 1 7 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.596 -0.360 17783 3765 1 7 . 1 1 70 70 VAL H H 392 7.188 7.188 7.482 -0.294 17783 3766 1 7 . 1 1 71 71 TYR N N 393 124.867 124.867 123.688 1.179 17783 3767 1 7 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.665 0.136 17783 3768 1 7 . 1 1 71 71 TYR C C 393 175.550 175.550 177.003 -1.453 17783 3769 1 7 . 1 1 71 71 TYR CA C 393 56.285 56.285 58.410 -2.125 17783 3770 1 7 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.625 2.918 17783 3771 1 7 . 1 1 71 71 TYR H H 393 9.517 9.517 8.216 1.301 17783 3772 1 7 . 1 1 72 72 ALA N N 394 124.217 124.217 127.426 -3.209 17783 3773 1 7 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.690 -0.919 17783 3774 1 7 . 1 1 72 72 ALA C C 394 175.911 175.911 177.980 -2.069 17783 3775 1 7 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.834 -1.577 17783 3776 1 7 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.490 0.531 17783 3777 1 7 . 1 1 72 72 ALA H H 394 8.984 8.984 8.820 0.164 17783 3778 1 7 . 1 1 73 73 SER N N 395 106.325 106.325 111.328 -5.003 17783 3779 1 7 . 1 1 73 73 SER HA H 395 4.769 4.769 4.742 0.027 17783 3780 1 7 . 1 1 73 73 SER C C 395 173.686 173.686 174.243 -0.557 17783 3781 1 7 . 1 1 73 73 SER CA C 395 56.031 56.031 57.430 -1.399 17783 3782 1 7 . 1 1 73 73 SER CB C 395 66.773 66.773 65.107 1.666 17783 3783 1 7 . 1 1 73 73 SER H H 395 7.251 7.251 7.825 -0.574 17783 3784 1 7 . 1 1 74 74 LYS N N 396 123.531 123.531 120.450 3.081 17783 3785 1 7 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.868 -0.974 17783 3786 1 7 . 1 1 74 74 LYS C C 396 178.040 178.040 178.003 0.037 17783 3787 1 7 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.728 1.815 17783 3788 1 7 . 1 1 74 74 LYS CB C 396 31.636 31.636 32.133 -0.497 17783 3789 1 7 . 1 1 74 74 LYS H H 396 8.742 8.742 8.285 0.457 17783 3790 1 7 . 1 1 75 75 GLU N N 397 118.740 118.740 119.380 -0.640 17783 3791 1 7 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.952 -0.138 17783 3792 1 7 . 1 1 75 75 GLU C C 397 179.136 179.136 178.478 0.658 17783 3793 1 7 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.585 0.492 17783 3794 1 7 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.060 -0.312 17783 3795 1 7 . 1 1 75 75 GLU H H 397 8.529 8.529 8.543 -0.014 17783 3796 1 7 . 1 1 76 76 GLU N N 398 119.987 119.987 117.678 2.309 17783 3797 1 7 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.139 -0.304 17783 3798 1 7 . 1 1 76 76 GLU C C 398 178.564 178.564 178.154 0.410 17783 3799 1 7 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.191 1.171 17783 3800 1 7 . 1 1 76 76 GLU CB C 398 30.431 30.431 28.684 1.746 17783 3801 1 7 . 1 1 76 76 GLU H H 398 7.804 7.804 8.745 -0.941 17783 3802 1 7 . 1 1 77 77 ALA N N 399 122.630 122.630 123.232 -0.602 17783 3803 1 7 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.519 -0.931 17783 3804 1 7 . 1 1 77 77 ALA C C 399 177.764 177.764 178.926 -1.162 17783 3805 1 7 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.265 0.096 17783 3806 1 7 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.196 -0.531 17783 3807 1 7 . 1 1 77 77 ALA H H 399 7.294 7.294 7.524 -0.230 17783 3808 1 7 . 1 1 78 78 LYS N N 400 115.403 115.403 118.944 -3.541 17783 3809 1 7 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.906 -0.136 17783 3810 1 7 . 1 1 78 78 LYS C C 400 180.700 180.700 178.877 1.823 17783 3811 1 7 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.215 0.327 17783 3812 1 7 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.166 -0.334 17783 3813 1 7 . 1 1 78 78 LYS H H 400 8.001 8.001 7.705 0.296 17783 3814 1 7 . 1 1 79 79 LYS N N 401 119.756 119.756 119.173 0.583 17783 3815 1 7 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.116 -0.147 17783 3816 1 7 . 1 1 79 79 LYS C C 401 178.347 178.347 178.278 0.069 17783 3817 1 7 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.632 0.344 17783 3818 1 7 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.639 -0.341 17783 3819 1 7 . 1 1 79 79 LYS H H 401 7.788 7.788 7.380 0.408 17783 3820 1 7 . 1 1 80 80 ALA N N 402 120.725 120.725 122.174 -1.449 17783 3821 1 7 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.054 0.089 17783 3822 1 7 . 1 1 80 80 ALA C C 402 180.118 180.118 179.459 0.659 17783 3823 1 7 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.698 -0.926 17783 3824 1 7 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.631 0.838 17783 3825 1 7 . 1 1 80 80 ALA H H 402 7.334 7.334 7.682 -0.348 17783 3826 1 7 . 1 1 81 81 VAL N N 403 120.431 120.431 118.615 1.816 17783 3827 1 7 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.624 -0.262 17783 3828 1 7 . 1 1 81 81 VAL C C 403 177.205 177.205 178.246 -1.041 17783 3829 1 7 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.773 0.955 17783 3830 1 7 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.405 0.328 17783 3831 1 7 . 1 1 81 81 VAL H H 403 7.480 7.480 7.446 0.034 17783 3832 1 7 . 1 1 82 82 SER N N 404 110.126 110.126 114.391 -4.265 17783 3833 1 7 . 1 1 82 82 SER HA H 404 4.143 4.143 4.212 -0.069 17783 3834 1 7 . 1 1 82 82 SER C C 404 174.813 174.813 175.741 -0.928 17783 3835 1 7 . 1 1 82 82 SER CA C 404 60.751 60.751 61.046 -0.295 17783 3836 1 7 . 1 1 82 82 SER CB C 404 63.287 63.287 62.988 0.299 17783 3837 1 7 . 1 1 82 82 SER H H 404 7.326 7.326 8.275 -0.949 17783 3838 1 7 . 1 1 83 83 THR N N 405 110.438 110.438 114.008 -3.570 17783 3839 1 7 . 1 1 83 83 THR HA H 405 4.461 4.461 4.127 0.334 17783 3840 1 7 . 1 1 83 83 THR C C 405 175.081 175.081 175.418 -0.337 17783 3841 1 7 . 1 1 83 83 THR CA C 405 61.761 61.761 63.855 -2.094 17783 3842 1 7 . 1 1 83 83 THR CB C 405 69.795 69.795 69.158 0.637 17783 3843 1 7 . 1 1 83 83 THR H H 405 7.634 7.634 8.040 -0.406 17783 3844 1 7 . 1 1 84 84 LEU N N 406 123.244 123.244 123.575 -0.331 17783 3845 1 7 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.664 -0.024 17783 3846 1 7 . 1 1 84 84 LEU C C 406 174.599 174.599 175.301 -0.702 17783 3847 1 7 . 1 1 84 84 LEU CA C 406 53.295 53.295 52.370 0.925 17783 3848 1 7 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.316 -0.607 17783 3849 1 7 . 1 1 84 84 LEU H H 406 7.478 7.478 7.547 -0.069 17783 3850 1 7 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.530 -0.037 17783 3851 1 7 . 1 1 85 85 PRO C C 407 177.743 177.743 177.587 0.156 17783 3852 1 7 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.297 0.847 17783 3853 1 7 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.541 0.380 17783 3854 1 7 . 1 1 86 86 ALA N N 408 128.809 128.809 123.905 4.904 17783 3855 1 7 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.007 -0.061 17783 3856 1 7 . 1 1 86 86 ALA C C 408 180.517 180.517 179.275 1.242 17783 3857 1 7 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.920 0.585 17783 3858 1 7 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.164 0.181 17783 3859 1 7 . 1 1 86 86 ALA H H 408 9.168 9.168 8.630 0.538 17783 3860 1 7 . 1 1 87 87 ASP N N 409 116.520 116.520 118.298 -1.778 17783 3861 1 7 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.380 0.082 17783 3862 1 7 . 1 1 87 87 ASP C C 409 178.081 178.081 178.159 -0.078 17783 3863 1 7 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.688 -0.752 17783 3864 1 7 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.061 0.298 17783 3865 1 7 . 1 1 87 87 ASP H H 409 9.359 9.359 8.858 0.501 17783 3866 1 7 . 1 1 88 88 VAL N N 410 117.452 117.452 117.465 -0.013 17783 3867 1 7 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.110 -0.021 17783 3868 1 7 . 1 1 88 88 VAL C C 410 178.675 178.675 178.247 0.428 17783 3869 1 7 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.174 -0.298 17783 3870 1 7 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.300 -1.015 17783 3871 1 7 . 1 1 88 88 VAL H H 410 7.355 7.355 7.308 0.047 17783 3872 1 7 . 1 1 89 89 GLN N N 411 119.387 119.387 120.282 -0.895 17783 3873 1 7 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.035 -0.391 17783 3874 1 7 . 1 1 89 89 GLN C C 411 179.168 179.168 178.377 0.791 17783 3875 1 7 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.598 2.114 17783 3876 1 7 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.610 -0.100 17783 3877 1 7 . 1 1 89 89 GLN H H 411 8.271 8.271 8.508 -0.237 17783 3878 1 7 . 1 1 90 90 ALA N N 412 118.634 118.634 123.069 -4.435 17783 3879 1 7 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.216 0.049 17783 3880 1 7 . 1 1 90 90 ALA C C 412 177.949 177.949 178.260 -0.311 17783 3881 1 7 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.492 -0.551 17783 3882 1 7 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.530 -0.203 17783 3883 1 7 . 1 1 90 90 ALA H H 412 7.794 7.794 8.607 -0.813 17783 3884 1 7 . 1 1 91 91 LYS N N 413 115.842 115.842 116.759 -0.917 17783 3885 1 7 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.232 0.100 17783 3886 1 7 . 1 1 91 91 LYS C C 413 175.829 175.829 176.241 -0.412 17783 3887 1 7 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.557 -0.187 17783 3888 1 7 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.970 -0.486 17783 3889 1 7 . 1 1 91 91 LYS H H 413 7.398 7.398 7.441 -0.043 17783 3890 1 7 . 1 1 92 92 ASN N N 414 113.776 113.776 119.153 -5.377 17783 3891 1 7 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.574 -0.038 17783 3892 1 7 . 1 1 92 92 ASN C C 414 171.075 171.075 172.900 -1.825 17783 3893 1 7 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.336 0.727 17783 3894 1 7 . 1 1 92 92 ASN CB C 414 37.081 37.081 37.916 -0.834 17783 3895 1 7 . 1 1 92 92 ASN H H 414 8.178 8.178 7.657 0.521 17783 3896 1 7 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.600 0.402 17783 3897 1 7 . 1 1 93 93 PRO C C 415 175.682 175.682 176.340 -0.658 17783 3898 1 7 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.488 0.002 17783 3899 1 7 . 1 1 93 93 PRO CB C 415 33.585 33.585 31.270 2.315 17783 3900 1 7 . 1 1 94 94 TRP N N 416 117.925 117.925 125.460 -7.535 17783 3901 1 7 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.736 0.281 17783 3902 1 7 . 1 1 94 94 TRP C C 416 173.607 173.607 175.590 -1.983 17783 3903 1 7 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.890 -0.895 17783 3904 1 7 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.131 2.376 17783 3905 1 7 . 1 1 94 94 TRP H H 416 7.921 7.921 8.041 -0.120 17783 3906 1 7 . 1 1 95 95 ALA N N 417 123.924 123.924 126.626 -2.702 17783 3907 1 7 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.035 0.720 17783 3908 1 7 . 1 1 95 95 ALA C C 417 174.171 174.171 176.415 -2.244 17783 3909 1 7 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.782 -1.145 17783 3910 1 7 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.241 0.227 17783 3911 1 7 . 1 1 95 95 ALA H H 417 8.878 8.878 8.320 0.558 17783 3912 1 7 . 1 1 96 96 LYS N N 418 129.441 129.441 122.700 6.741 17783 3913 1 7 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.221 0.800 17783 3914 1 7 . 1 1 96 96 LYS C C 418 173.451 173.451 173.504 -0.053 17783 3915 1 7 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.804 -0.240 17783 3916 1 7 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.238 3.745 17783 3917 1 7 . 1 1 96 96 LYS H H 418 9.235 9.235 8.064 1.171 17783 3918 1 7 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.122 -0.358 17783 3919 1 7 . 1 1 97 97 PRO C C 419 178.893 178.893 177.172 1.721 17783 3920 1 7 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.897 -0.002 17783 3921 1 7 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.539 0.180 17783 3922 1 7 . 1 1 98 98 LEU N N 420 126.746 126.746 120.670 6.076 17783 3923 1 7 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.155 -0.352 17783 3924 1 7 . 1 1 98 98 LEU C C 420 179.040 179.040 178.697 0.343 17783 3925 1 7 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.144 1.224 17783 3926 1 7 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.648 -1.707 17783 3927 1 7 . 1 1 98 98 LEU H H 420 9.179 9.179 8.439 0.740 17783 3928 1 7 . 1 1 99 99 ARG N N 421 118.262 118.262 118.386 -0.124 17783 3929 1 7 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.853 0.206 17783 3930 1 7 . 1 1 99 99 ARG C C 421 178.140 178.140 177.661 0.479 17783 3931 1 7 . 1 1 99 99 ARG CA C 421 59.093 59.093 59.366 -0.273 17783 3932 1 7 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.690 0.266 17783 3933 1 7 . 1 1 99 99 ARG H H 421 8.014 8.014 7.850 0.164 17783 3934 1 7 . 1 1 100 100 GLN N N 422 116.539 116.539 116.359 0.180 17783 3935 1 7 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.334 -0.124 17783 3936 1 7 . 1 1 100 100 GLN C C 422 177.594 177.594 178.230 -0.636 17783 3937 1 7 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.733 -0.000 17783 3938 1 7 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.102 0.076 17783 3939 1 7 . 1 1 100 100 GLN H H 422 7.258 7.258 7.966 -0.708 17783 3940 1 7 . 1 1 101 101 VAL N N 423 119.665 119.665 120.911 -1.246 17783 3941 1 7 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.732 -0.184 17783 3942 1 7 . 1 1 101 101 VAL C C 423 177.040 177.040 178.611 -1.571 17783 3943 1 7 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.568 -0.121 17783 3944 1 7 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.748 1.805 17783 3945 1 7 . 1 1 101 101 VAL H H 423 7.090 7.090 8.224 -1.134 17783 3946 1 7 . 1 1 102 102 GLN N N 424 115.032 115.032 119.205 -4.173 17783 3947 1 7 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.940 -0.375 17783 3948 1 7 . 1 1 102 102 GLN C C 424 177.994 177.994 177.234 0.760 17783 3949 1 7 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.041 0.842 17783 3950 1 7 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.907 -0.847 17783 3951 1 7 . 1 1 102 102 GLN H H 424 8.553 8.553 8.304 0.249 17783 3952 1 7 . 1 1 103 103 ALA N N 425 120.742 120.742 121.772 -1.030 17783 3953 1 7 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.052 0.106 17783 3954 1 7 . 1 1 103 103 ALA C C 425 178.545 178.545 178.625 -0.080 17783 3955 1 7 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.260 0.015 17783 3956 1 7 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.754 -0.432 17783 3957 1 7 . 1 1 103 103 ALA H H 425 7.366 7.366 7.987 -0.621 17783 3958 1 7 . 1 1 104 104 ASP N N 426 117.066 117.066 118.417 -1.351 17783 3959 1 7 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.466 0.242 17783 3960 1 7 . 1 1 104 104 ASP C C 426 176.876 176.876 177.040 -0.164 17783 3961 1 7 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.891 -0.668 17783 3962 1 7 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.174 1.326 17783 3963 1 7 . 1 1 104 104 ASP H H 426 7.628 7.628 8.113 -0.485 17783 3964 1 7 . 1 1 105 105 LEU N N 427 119.853 119.853 120.009 -0.156 17783 3965 1 7 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.040 0.259 17783 3966 1 7 . 1 1 105 105 LEU C C 427 176.118 176.118 176.920 -0.802 17783 3967 1 7 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.710 -0.724 17783 3968 1 7 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.176 -0.098 17783 3969 1 7 . 1 1 105 105 LEU H H 427 7.242 7.242 7.650 -0.408 17783 3970 1 8 . 1 1 2 2 ARG N N 324 121.883 121.883 120.758 1.125 17783 3971 1 8 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.524 -0.180 17783 3972 1 8 . 1 1 2 2 ARG C C 324 176.887 176.887 174.963 1.924 17783 3973 1 8 . 1 1 2 2 ARG CA C 324 56.505 56.505 55.849 0.657 17783 3974 1 8 . 1 1 2 2 ARG CB C 324 30.734 30.734 31.430 -0.696 17783 3975 1 8 . 1 1 2 2 ARG H H 324 8.373 8.373 8.813 -0.440 17783 3976 1 8 . 1 1 3 3 GLY N N 325 111.231 111.231 110.444 0.787 17783 3977 1 8 . 1 1 3 3 GLY C C 325 174.037 174.037 174.612 -0.575 17783 3978 1 8 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.396 -0.168 17783 3979 1 8 . 1 1 3 3 GLY H H 325 8.683 8.683 8.270 0.413 17783 3980 1 8 . 1 1 4 4 SER N N 326 115.541 115.541 118.406 -2.865 17783 3981 1 8 . 1 1 4 4 SER HA H 326 4.377 4.377 4.436 -0.059 17783 3982 1 8 . 1 1 4 4 SER C C 326 174.454 174.454 174.172 0.282 17783 3983 1 8 . 1 1 4 4 SER CA C 326 58.315 58.315 58.609 -0.294 17783 3984 1 8 . 1 1 4 4 SER CB C 326 63.902 63.902 64.091 -0.189 17783 3985 1 8 . 1 1 4 4 SER H H 326 8.237 8.237 8.490 -0.253 17783 3986 1 8 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.312 0.268 17783 3987 1 8 . 1 1 10 10 HIS C C 332 175.292 175.292 177.203 -1.911 17783 3988 1 8 . 1 1 10 10 HIS CA C 332 55.946 55.946 57.382 -1.436 17783 3989 1 8 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.892 0.231 17783 3990 1 8 . 1 1 11 11 GLY N N 333 110.527 110.527 108.761 1.766 17783 3991 1 8 . 1 1 11 11 GLY C C 333 174.126 174.126 173.769 0.357 17783 3992 1 8 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.520 -0.194 17783 3993 1 8 . 1 1 11 11 GLY H H 333 8.540 8.540 8.492 0.048 17783 3994 1 8 . 1 1 12 12 SER N N 334 115.752 115.752 116.402 -0.650 17783 3995 1 8 . 1 1 12 12 SER HA H 334 4.436 4.436 3.796 0.640 17783 3996 1 8 . 1 1 12 12 SER C C 334 174.538 174.538 173.974 0.564 17783 3997 1 8 . 1 1 12 12 SER CA C 334 58.486 58.486 59.380 -0.894 17783 3998 1 8 . 1 1 12 12 SER CB C 334 63.927 63.927 62.488 1.439 17783 3999 1 8 . 1 1 12 12 SER H H 334 8.356 8.356 7.659 0.697 17783 4000 1 8 . 1 1 13 13 ASN N N 335 120.410 120.410 116.455 3.955 17783 4001 1 8 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.446 0.283 17783 4002 1 8 . 1 1 13 13 ASN C C 335 175.116 175.116 173.748 1.368 17783 4003 1 8 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.697 -0.311 17783 4004 1 8 . 1 1 13 13 ASN CB C 335 38.668 38.668 37.200 1.468 17783 4005 1 8 . 1 1 13 13 ASN H H 335 8.575 8.575 8.587 -0.012 17783 4006 1 8 . 1 1 14 14 ASN N N 336 119.094 119.094 117.303 1.791 17783 4007 1 8 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.546 0.183 17783 4008 1 8 . 1 1 14 14 ASN C C 336 175.395 175.395 174.593 0.802 17783 4009 1 8 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.940 -0.555 17783 4010 1 8 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.493 0.176 17783 4011 1 8 . 1 1 14 14 ASN H H 336 8.447 8.447 8.297 0.150 17783 4012 1 8 . 1 1 15 15 ASN N N 337 118.915 118.915 121.078 -2.163 17783 4013 1 8 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.642 -0.108 17783 4014 1 8 . 1 1 15 15 ASN C C 337 176.390 176.390 174.778 1.612 17783 4015 1 8 . 1 1 15 15 ASN CA C 337 53.991 53.991 52.613 1.378 17783 4016 1 8 . 1 1 15 15 ASN CB C 337 38.621 38.621 38.695 -0.074 17783 4017 1 8 . 1 1 15 15 ASN H H 337 8.446 8.446 8.242 0.204 17783 4018 1 8 . 1 1 16 16 GLY N N 338 108.851 108.851 108.942 -0.091 17783 4019 1 8 . 1 1 16 16 GLY C C 338 175.459 175.459 175.624 -0.165 17783 4020 1 8 . 1 1 16 16 GLY CA C 338 46.752 46.752 44.621 2.131 17783 4021 1 8 . 1 1 16 16 GLY H H 338 8.454 8.454 8.313 0.141 17783 4022 1 8 . 1 1 17 17 SER N N 339 116.218 116.218 117.318 -1.100 17783 4023 1 8 . 1 1 17 17 SER HA H 339 4.229 4.229 4.359 -0.130 17783 4024 1 8 . 1 1 17 17 SER C C 339 175.869 175.869 176.358 -0.489 17783 4025 1 8 . 1 1 17 17 SER CA C 339 59.759 59.759 59.580 0.179 17783 4026 1 8 . 1 1 17 17 SER CB C 339 62.973 62.973 62.914 0.059 17783 4027 1 8 . 1 1 17 17 SER H H 339 8.170 8.170 8.742 -0.572 17783 4028 1 8 . 1 1 18 18 LEU N N 340 121.515 121.515 121.838 -0.323 17783 4029 1 8 . 1 1 18 18 LEU HA H 340 4.002 4.002 3.857 0.145 17783 4030 1 8 . 1 1 18 18 LEU C C 340 178.399 178.399 178.067 0.332 17783 4031 1 8 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.318 -0.167 17783 4032 1 8 . 1 1 18 18 LEU CB C 340 42.076 42.076 40.717 1.359 17783 4033 1 8 . 1 1 18 18 LEU H H 340 7.790 7.790 8.047 -0.257 17783 4034 1 8 . 1 1 19 19 LYS N N 341 117.145 117.145 118.012 -0.867 17783 4035 1 8 . 1 1 19 19 LYS HA H 341 3.808 3.808 3.873 -0.065 17783 4036 1 8 . 1 1 19 19 LYS C C 341 176.960 176.960 178.058 -1.098 17783 4037 1 8 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.836 0.357 17783 4038 1 8 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.662 1.131 17783 4039 1 8 . 1 1 19 19 LYS H H 341 7.893 7.893 7.573 0.320 17783 4040 1 8 . 1 1 20 20 SER N N 342 110.377 110.377 115.641 -5.264 17783 4041 1 8 . 1 1 20 20 SER HA H 342 4.369 4.369 4.466 -0.097 17783 4042 1 8 . 1 1 20 20 SER C C 342 173.735 173.735 174.196 -0.461 17783 4043 1 8 . 1 1 20 20 SER CA C 342 58.141 58.141 57.468 0.673 17783 4044 1 8 . 1 1 20 20 SER CB C 342 63.900 63.900 63.174 0.726 17783 4045 1 8 . 1 1 20 20 SER H H 342 7.546 7.546 8.017 -0.471 17783 4046 1 8 . 1 1 21 21 ALA N N 343 125.662 125.662 125.487 0.175 17783 4047 1 8 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.506 -0.144 17783 4048 1 8 . 1 1 21 21 ALA C C 343 174.051 174.051 175.291 -1.240 17783 4049 1 8 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.844 0.728 17783 4050 1 8 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.728 -0.594 17783 4051 1 8 . 1 1 21 21 ALA H H 343 6.852 6.852 8.016 -1.164 17783 4052 1 8 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.423 -0.185 17783 4053 1 8 . 1 1 22 22 PRO C C 344 178.184 178.184 176.931 1.253 17783 4054 1 8 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.897 0.185 17783 4055 1 8 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.764 0.840 17783 4056 1 8 . 1 1 23 23 SER N N 345 118.662 118.662 119.671 -1.009 17783 4057 1 8 . 1 1 23 23 SER HA H 345 3.825 3.825 4.241 -0.416 17783 4058 1 8 . 1 1 23 23 SER C C 345 174.231 174.231 175.484 -1.253 17783 4059 1 8 . 1 1 23 23 SER CA C 345 60.892 60.892 59.675 1.217 17783 4060 1 8 . 1 1 23 23 SER CB C 345 63.223 63.223 63.044 0.179 17783 4061 1 8 . 1 1 23 23 SER H H 345 8.566 8.566 8.229 0.337 17783 4062 1 8 . 1 1 24 24 SER N N 346 111.938 111.938 116.792 -4.854 17783 4063 1 8 . 1 1 24 24 SER HA H 346 4.383 4.383 4.323 0.060 17783 4064 1 8 . 1 1 24 24 SER C C 346 175.152 175.152 175.181 -0.029 17783 4065 1 8 . 1 1 24 24 SER CA C 346 58.247 58.247 59.523 -1.276 17783 4066 1 8 . 1 1 24 24 SER CB C 346 63.958 63.958 63.022 0.936 17783 4067 1 8 . 1 1 24 24 SER H H 346 7.675 7.675 8.024 -0.349 17783 4068 1 8 . 1 1 25 25 HIS N N 347 122.882 122.882 119.686 3.196 17783 4069 1 8 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.498 0.352 17783 4070 1 8 . 1 1 25 25 HIS C C 347 173.574 173.574 174.923 -1.349 17783 4071 1 8 . 1 1 25 25 HIS CA C 347 56.075 56.075 57.988 -1.913 17783 4072 1 8 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.525 1.323 17783 4073 1 8 . 1 1 25 25 HIS H H 347 7.628 7.628 7.416 0.212 17783 4074 1 8 . 1 1 26 26 TYR N N 348 117.921 117.921 113.559 4.362 17783 4075 1 8 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.682 0.307 17783 4076 1 8 . 1 1 26 26 TYR C C 348 174.086 174.086 173.971 0.115 17783 4077 1 8 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.226 -0.039 17783 4078 1 8 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.460 1.374 17783 4079 1 8 . 1 1 26 26 TYR H H 348 9.606 9.606 8.260 1.346 17783 4080 1 8 . 1 1 27 27 THR N N 349 115.914 115.914 116.791 -0.877 17783 4081 1 8 . 1 1 27 27 THR HA H 349 5.027 5.027 5.060 -0.033 17783 4082 1 8 . 1 1 27 27 THR C C 349 172.904 172.904 172.553 0.351 17783 4083 1 8 . 1 1 27 27 THR CA C 349 58.835 58.835 60.235 -1.400 17783 4084 1 8 . 1 1 27 27 THR CB C 349 70.587 70.587 70.661 -0.074 17783 4085 1 8 . 1 1 27 27 THR H H 349 8.974 8.974 8.565 0.409 17783 4086 1 8 . 1 1 28 28 LEU N N 350 123.392 123.392 121.547 1.845 17783 4087 1 8 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.945 0.044 17783 4088 1 8 . 1 1 28 28 LEU C C 350 176.111 176.111 174.813 1.298 17783 4089 1 8 . 1 1 28 28 LEU CA C 350 53.098 53.098 53.095 0.003 17783 4090 1 8 . 1 1 28 28 LEU CB C 350 44.870 44.870 45.891 -1.021 17783 4091 1 8 . 1 1 28 28 LEU H H 350 8.249 8.249 8.315 -0.066 17783 4092 1 8 . 1 1 29 29 GLN N N 351 122.797 122.797 119.954 2.843 17783 4093 1 8 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.982 -0.429 17783 4094 1 8 . 1 1 29 29 GLN C C 351 175.435 175.435 175.005 0.430 17783 4095 1 8 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.321 1.623 17783 4096 1 8 . 1 1 29 29 GLN CB C 351 27.231 27.231 31.017 -3.786 17783 4097 1 8 . 1 1 29 29 GLN H H 351 8.915 8.915 8.573 0.342 17783 4098 1 8 . 1 1 30 30 LEU N N 352 125.239 125.239 119.784 5.455 17783 4099 1 8 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.912 -0.545 17783 4100 1 8 . 1 1 30 30 LEU C C 352 177.250 177.250 175.989 1.261 17783 4101 1 8 . 1 1 30 30 LEU CA C 352 56.101 56.101 54.115 1.986 17783 4102 1 8 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.342 -0.242 17783 4103 1 8 . 1 1 30 30 LEU H H 352 8.920 8.920 8.375 0.545 17783 4104 1 8 . 1 1 31 31 SER N N 353 106.816 106.816 115.186 -8.370 17783 4105 1 8 . 1 1 31 31 SER HA H 353 4.493 4.493 4.791 -0.298 17783 4106 1 8 . 1 1 31 31 SER C C 353 171.831 171.831 173.381 -1.550 17783 4107 1 8 . 1 1 31 31 SER CA C 353 57.160 57.160 57.509 -0.349 17783 4108 1 8 . 1 1 31 31 SER CB C 353 64.360 64.360 65.041 -0.681 17783 4109 1 8 . 1 1 31 31 SER H H 353 7.548 7.548 8.057 -0.509 17783 4110 1 8 . 1 1 32 32 SER N N 354 113.518 113.518 118.811 -5.293 17783 4111 1 8 . 1 1 32 32 SER HA H 354 5.026 5.026 4.195 0.831 17783 4112 1 8 . 1 1 32 32 SER C C 354 172.512 172.512 172.519 -0.007 17783 4113 1 8 . 1 1 32 32 SER CA C 354 57.285 57.285 57.130 0.154 17783 4114 1 8 . 1 1 32 32 SER CB C 354 65.347 65.347 65.553 -0.206 17783 4115 1 8 . 1 1 32 32 SER H H 354 8.127 8.127 8.306 -0.179 17783 4116 1 8 . 1 1 33 33 SER N N 355 114.624 114.624 116.293 -1.669 17783 4117 1 8 . 1 1 33 33 SER HA H 355 4.106 4.106 4.083 0.023 17783 4118 1 8 . 1 1 33 33 SER C C 355 171.639 171.639 171.878 -0.239 17783 4119 1 8 . 1 1 33 33 SER CA C 355 57.276 57.276 57.789 -0.513 17783 4120 1 8 . 1 1 33 33 SER CB C 355 64.539 64.539 63.998 0.541 17783 4121 1 8 . 1 1 33 33 SER H H 355 8.616 8.616 6.848 1.768 17783 4122 1 8 . 1 1 34 34 SER N N 356 116.467 116.467 116.046 0.421 17783 4123 1 8 . 1 1 34 34 SER HA H 356 4.241 4.241 4.960 -0.719 17783 4124 1 8 . 1 1 34 34 SER C C 356 173.820 173.820 172.788 1.032 17783 4125 1 8 . 1 1 34 34 SER CA C 356 59.074 59.074 58.946 0.128 17783 4126 1 8 . 1 1 34 34 SER CB C 356 63.741 63.741 62.693 1.048 17783 4127 1 8 . 1 1 34 34 SER H H 356 8.132 8.132 8.423 -0.291 17783 4128 1 8 . 1 1 35 35 ASN N N 357 122.206 122.206 119.604 2.602 17783 4129 1 8 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.028 -0.107 17783 4130 1 8 . 1 1 35 35 ASN C C 357 172.965 172.965 174.565 -1.600 17783 4131 1 8 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.369 -0.922 17783 4132 1 8 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.234 0.691 17783 4133 1 8 . 1 1 35 35 ASN H H 357 8.511 8.511 8.245 0.266 17783 4134 1 8 . 1 1 36 36 TYR N N 358 127.519 127.519 126.304 1.215 17783 4135 1 8 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.915 -0.943 17783 4136 1 8 . 1 1 36 36 TYR C C 358 176.522 176.522 176.384 0.138 17783 4137 1 8 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.792 -0.823 17783 4138 1 8 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.768 -1.057 17783 4139 1 8 . 1 1 36 36 TYR H H 358 8.002 8.002 8.833 -0.831 17783 4140 1 8 . 1 1 37 37 ASP N N 359 118.658 118.658 117.989 0.669 17783 4141 1 8 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.316 -0.172 17783 4142 1 8 . 1 1 37 37 ASP C C 359 179.804 179.804 178.217 1.587 17783 4143 1 8 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.325 0.178 17783 4144 1 8 . 1 1 37 37 ASP CB C 359 40.178 40.178 39.928 0.250 17783 4145 1 8 . 1 1 37 37 ASP H H 359 8.033 8.033 8.745 -0.712 17783 4146 1 8 . 1 1 38 38 ASN N N 360 119.802 119.802 118.603 1.199 17783 4147 1 8 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.535 -0.232 17783 4148 1 8 . 1 1 38 38 ASN C C 360 177.720 177.720 177.799 -0.079 17783 4149 1 8 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.700 -0.250 17783 4150 1 8 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.465 -0.702 17783 4151 1 8 . 1 1 38 38 ASN H H 360 8.380 8.380 8.285 0.095 17783 4152 1 8 . 1 1 39 39 LEU N N 361 121.625 121.625 121.167 0.458 17783 4153 1 8 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.147 -0.050 17783 4154 1 8 . 1 1 39 39 LEU C C 361 177.738 177.738 178.162 -0.424 17783 4155 1 8 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.451 -0.886 17783 4156 1 8 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.986 0.742 17783 4157 1 8 . 1 1 39 39 LEU H H 361 7.243 7.243 7.821 -0.578 17783 4158 1 8 . 1 1 40 40 ASN N N 362 116.601 116.601 117.009 -0.408 17783 4159 1 8 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.345 -0.200 17783 4160 1 8 . 1 1 40 40 ASN C C 362 177.253 177.253 178.268 -1.015 17783 4161 1 8 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.608 -0.081 17783 4162 1 8 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.231 1.095 17783 4163 1 8 . 1 1 40 40 ASN H H 362 8.284 8.284 7.961 0.323 17783 4164 1 8 . 1 1 41 41 GLY N N 363 104.958 104.958 106.171 -1.213 17783 4165 1 8 . 1 1 41 41 GLY C C 363 176.323 176.323 174.863 1.460 17783 4166 1 8 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.651 0.188 17783 4167 1 8 . 1 1 41 41 GLY H H 363 8.334 8.334 8.669 -0.335 17783 4168 1 8 . 1 1 42 42 TRP N N 364 125.066 125.066 123.038 2.028 17783 4169 1 8 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.516 -0.290 17783 4170 1 8 . 1 1 42 42 TRP C C 364 176.509 176.509 176.673 -0.164 17783 4171 1 8 . 1 1 42 42 TRP CA C 364 61.489 61.489 59.652 1.837 17783 4172 1 8 . 1 1 42 42 TRP CB C 364 27.876 27.876 30.431 -2.555 17783 4173 1 8 . 1 1 42 42 TRP H H 364 7.833 7.833 7.651 0.182 17783 4174 1 8 . 1 1 43 43 ALA N N 365 120.030 120.030 122.258 -2.228 17783 4175 1 8 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.313 -0.319 17783 4176 1 8 . 1 1 43 43 ALA C C 365 179.186 179.186 179.512 -0.326 17783 4177 1 8 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.223 -0.222 17783 4178 1 8 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.912 -0.824 17783 4179 1 8 . 1 1 43 43 ALA H H 365 7.701 7.701 9.016 -1.315 17783 4180 1 8 . 1 1 44 44 LYS N N 366 115.064 115.064 116.224 -1.160 17783 4181 1 8 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.970 0.063 17783 4182 1 8 . 1 1 44 44 LYS C C 366 180.830 180.830 179.092 1.738 17783 4183 1 8 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.586 0.405 17783 4184 1 8 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.037 0.313 17783 4185 1 8 . 1 1 44 44 LYS H H 366 7.562 7.562 7.655 -0.093 17783 4186 1 8 . 1 1 45 45 LYS N N 367 123.180 123.180 119.819 3.361 17783 4187 1 8 . 1 1 45 45 LYS HA H 367 3.907 3.907 3.999 -0.092 17783 4188 1 8 . 1 1 45 45 LYS C C 367 178.319 178.319 178.674 -0.355 17783 4189 1 8 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.661 0.383 17783 4190 1 8 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.219 -0.153 17783 4191 1 8 . 1 1 45 45 LYS H H 367 8.067 8.067 7.702 0.365 17783 4192 1 8 . 1 1 46 46 GLU N N 368 114.882 114.882 115.158 -0.276 17783 4193 1 8 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.000 -0.083 17783 4194 1 8 . 1 1 46 46 GLU C C 368 174.639 174.639 176.461 -1.822 17783 4195 1 8 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.533 -1.517 17783 4196 1 8 . 1 1 46 46 GLU CB C 368 27.677 27.677 28.928 -1.251 17783 4197 1 8 . 1 1 46 46 GLU H H 368 7.488 7.488 7.415 0.073 17783 4198 1 8 . 1 1 47 47 ASN N N 369 114.944 114.944 115.954 -1.010 17783 4199 1 8 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.248 0.024 17783 4200 1 8 . 1 1 47 47 ASN C C 369 174.759 174.759 174.478 0.281 17783 4201 1 8 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.497 0.207 17783 4202 1 8 . 1 1 47 47 ASN CB C 369 37.059 37.059 37.185 -0.126 17783 4203 1 8 . 1 1 47 47 ASN H H 369 7.772 7.772 7.542 0.230 17783 4204 1 8 . 1 1 48 48 LEU N N 370 116.008 116.008 118.852 -2.844 17783 4205 1 8 . 1 1 48 48 LEU HA H 370 4.120 4.120 4.015 0.105 17783 4206 1 8 . 1 1 48 48 LEU C C 370 177.056 177.056 176.831 0.225 17783 4207 1 8 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.493 -0.375 17783 4208 1 8 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.239 0.678 17783 4209 1 8 . 1 1 48 48 LEU H H 370 7.463 7.463 7.252 0.211 17783 4210 1 8 . 1 1 49 49 LYS N N 371 120.012 120.012 123.760 -3.748 17783 4211 1 8 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.443 0.117 17783 4212 1 8 . 1 1 49 49 LYS C C 371 176.481 176.481 176.628 -0.147 17783 4213 1 8 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.951 -0.622 17783 4214 1 8 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.380 1.175 17783 4215 1 8 . 1 1 49 49 LYS H H 371 8.518 8.518 8.339 0.179 17783 4216 1 8 . 1 1 50 50 ASN N N 372 117.610 117.610 118.196 -0.586 17783 4217 1 8 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.418 0.096 17783 4218 1 8 . 1 1 50 50 ASN C C 372 173.445 173.445 173.614 -0.169 17783 4219 1 8 . 1 1 50 50 ASN CA C 372 53.437 53.437 53.679 -0.242 17783 4220 1 8 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.619 -0.687 17783 4221 1 8 . 1 1 50 50 ASN H H 372 8.734 8.734 8.689 0.045 17783 4222 1 8 . 1 1 51 51 TYR N N 373 117.151 117.151 119.108 -1.957 17783 4223 1 8 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.024 0.371 17783 4224 1 8 . 1 1 51 51 TYR C C 373 173.549 173.549 173.887 -0.338 17783 4225 1 8 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.519 -0.737 17783 4226 1 8 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.834 -0.423 17783 4227 1 8 . 1 1 51 51 TYR H H 373 7.570 7.570 7.548 0.022 17783 4228 1 8 . 1 1 52 52 VAL N N 374 120.887 120.887 119.128 1.759 17783 4229 1 8 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.423 -0.125 17783 4230 1 8 . 1 1 52 52 VAL C C 374 174.289 174.289 174.621 -0.332 17783 4231 1 8 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.373 0.341 17783 4232 1 8 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.458 2.126 17783 4233 1 8 . 1 1 52 52 VAL H H 374 9.140 9.140 8.776 0.364 17783 4234 1 8 . 1 1 53 53 VAL N N 375 126.060 126.060 126.651 -0.591 17783 4235 1 8 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.267 1.148 17783 4236 1 8 . 1 1 53 53 VAL C C 375 175.803 175.803 176.010 -0.207 17783 4237 1 8 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.515 -1.859 17783 4238 1 8 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.761 0.975 17783 4239 1 8 . 1 1 53 53 VAL H H 375 8.600 8.600 8.447 0.153 17783 4240 1 8 . 1 1 54 54 TYR N N 376 125.706 125.706 125.611 0.095 17783 4241 1 8 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.114 0.308 17783 4242 1 8 . 1 1 54 54 TYR C C 376 172.139 172.139 173.640 -1.501 17783 4243 1 8 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.638 -0.509 17783 4244 1 8 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.474 1.183 17783 4245 1 8 . 1 1 54 54 TYR H H 376 9.292 9.292 8.612 0.680 17783 4246 1 8 . 1 1 55 55 GLU N N 377 122.063 122.063 119.953 2.110 17783 4247 1 8 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.472 1.242 17783 4248 1 8 . 1 1 55 55 GLU C C 377 175.011 175.011 175.528 -0.517 17783 4249 1 8 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.061 0.082 17783 4250 1 8 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.625 2.034 17783 4251 1 8 . 1 1 55 55 GLU H H 377 8.758 8.758 8.571 0.187 17783 4252 1 8 . 1 1 56 56 THR N N 378 122.855 122.855 113.172 9.683 17783 4253 1 8 . 1 1 56 56 THR HA H 378 4.848 4.848 4.548 0.300 17783 4254 1 8 . 1 1 56 56 THR C C 378 173.550 173.550 173.050 0.500 17783 4255 1 8 . 1 1 56 56 THR CA C 378 58.732 58.732 60.907 -2.175 17783 4256 1 8 . 1 1 56 56 THR CB C 378 70.181 70.181 69.202 0.979 17783 4257 1 8 . 1 1 56 56 THR H H 378 9.160 9.160 7.654 1.506 17783 4258 1 8 . 1 1 57 57 THR N N 379 116.629 116.629 113.308 3.321 17783 4259 1 8 . 1 1 57 57 THR HA H 379 5.145 5.145 4.610 0.535 17783 4260 1 8 . 1 1 57 57 THR C C 379 173.973 173.973 173.613 0.360 17783 4261 1 8 . 1 1 57 57 THR CA C 379 60.517 60.517 60.349 0.168 17783 4262 1 8 . 1 1 57 57 THR CB C 379 71.582 71.582 70.519 1.063 17783 4263 1 8 . 1 1 57 57 THR H H 379 8.677 8.677 8.453 0.224 17783 4264 1 8 . 1 1 58 58 ARG N N 380 124.546 124.546 125.277 -0.731 17783 4265 1 8 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.445 -0.137 17783 4266 1 8 . 1 1 58 58 ARG C C 380 176.074 176.074 174.987 1.087 17783 4267 1 8 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.769 -1.259 17783 4268 1 8 . 1 1 58 58 ARG CB C 380 32.473 32.473 30.896 1.577 17783 4269 1 8 . 1 1 58 58 ARG H H 380 9.117 9.117 8.462 0.655 17783 4270 1 8 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.589 -0.283 17783 4271 1 8 . 1 1 59 59 ASN C C 381 175.444 175.444 175.785 -0.341 17783 4272 1 8 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.403 0.834 17783 4273 1 8 . 1 1 59 59 ASN CB C 381 37.213 37.213 38.385 -1.172 17783 4274 1 8 . 1 1 60 60 GLY N N 382 103.015 103.015 107.758 -4.743 17783 4275 1 8 . 1 1 60 60 GLY C C 382 173.488 173.488 173.712 -0.224 17783 4276 1 8 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.937 -0.464 17783 4277 1 8 . 1 1 60 60 GLY H H 382 8.639 8.639 8.706 -0.067 17783 4278 1 8 . 1 1 61 61 GLN N N 383 119.903 119.903 117.770 2.133 17783 4279 1 8 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.699 0.301 17783 4280 1 8 . 1 1 61 61 GLN C C 383 172.730 172.730 173.575 -0.845 17783 4281 1 8 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.716 -0.025 17783 4282 1 8 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.199 0.512 17783 4283 1 8 . 1 1 61 61 GLN H H 383 7.697 7.697 7.325 0.372 17783 4284 1 8 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.433 0.181 17783 4285 1 8 . 1 1 62 62 PRO C C 384 175.576 175.576 175.113 0.463 17783 4286 1 8 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.286 0.716 17783 4287 1 8 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.097 0.448 17783 4288 1 8 . 1 1 63 63 TRP N N 385 126.621 126.621 123.963 2.658 17783 4289 1 8 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.748 -0.237 17783 4290 1 8 . 1 1 63 63 TRP C C 385 172.096 172.096 173.691 -1.595 17783 4291 1 8 . 1 1 63 63 TRP CA C 385 56.082 56.082 56.021 0.061 17783 4292 1 8 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.650 1.524 17783 4293 1 8 . 1 1 63 63 TRP H H 385 8.063 8.063 7.631 0.432 17783 4294 1 8 . 1 1 64 64 TYR N N 386 124.129 124.129 122.895 1.234 17783 4295 1 8 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.281 0.937 17783 4296 1 8 . 1 1 64 64 TYR C C 386 173.544 173.544 174.119 -0.575 17783 4297 1 8 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.317 0.452 17783 4298 1 8 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.920 3.513 17783 4299 1 8 . 1 1 64 64 TYR H H 386 7.954 7.954 7.649 0.305 17783 4300 1 8 . 1 1 65 65 VAL N N 387 121.167 121.167 121.146 0.021 17783 4301 1 8 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.593 -0.730 17783 4302 1 8 . 1 1 65 65 VAL C C 387 172.675 172.675 174.519 -1.844 17783 4303 1 8 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.279 0.978 17783 4304 1 8 . 1 1 65 65 VAL CB C 387 34.133 34.133 34.033 0.100 17783 4305 1 8 . 1 1 65 65 VAL H H 387 8.409 8.409 7.070 1.339 17783 4306 1 8 . 1 1 66 66 LEU N N 388 127.479 127.479 122.638 4.841 17783 4307 1 8 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.993 0.430 17783 4308 1 8 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.644 -0.148 17783 4309 1 8 . 1 1 66 66 LEU CB C 388 44.755 44.755 45.200 -0.445 17783 4310 1 8 . 1 1 66 66 LEU H H 388 8.200 8.200 8.249 -0.049 17783 4311 1 8 . 1 1 67 67 VAL N N 389 120.778 120.778 115.163 5.615 17783 4312 1 8 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.955 0.885 17783 4313 1 8 . 1 1 67 67 VAL C C 389 174.934 174.934 175.111 -0.177 17783 4314 1 8 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.217 -2.390 17783 4315 1 8 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.334 -0.641 17783 4316 1 8 . 1 1 67 67 VAL H H 389 9.314 9.314 8.457 0.857 17783 4317 1 8 . 1 1 68 68 SER N N 390 113.588 113.588 119.643 -6.055 17783 4318 1 8 . 1 1 68 68 SER HA H 390 4.850 4.850 4.662 0.188 17783 4319 1 8 . 1 1 68 68 SER C C 390 174.691 174.691 176.297 -1.606 17783 4320 1 8 . 1 1 68 68 SER CA C 390 58.213 58.213 58.186 0.027 17783 4321 1 8 . 1 1 68 68 SER CB C 390 66.007 66.007 64.281 1.726 17783 4322 1 8 . 1 1 68 68 SER H H 390 8.803 8.803 8.749 0.054 17783 4323 1 8 . 1 1 69 69 GLY N N 391 115.161 115.161 108.256 6.905 17783 4324 1 8 . 1 1 69 69 GLY C C 391 172.208 172.208 173.576 -1.368 17783 4325 1 8 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.993 -1.668 17783 4326 1 8 . 1 1 69 69 GLY H H 391 8.436 8.436 8.713 -0.277 17783 4327 1 8 . 1 1 70 70 VAL N N 392 117.033 117.033 115.572 1.461 17783 4328 1 8 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.350 0.130 17783 4329 1 8 . 1 1 70 70 VAL C C 392 174.635 174.635 173.982 0.653 17783 4330 1 8 . 1 1 70 70 VAL CA C 392 62.203 62.203 60.136 2.067 17783 4331 1 8 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.257 -0.020 17783 4332 1 8 . 1 1 70 70 VAL H H 392 7.188 7.188 7.362 -0.174 17783 4333 1 8 . 1 1 71 71 TYR N N 393 124.867 124.867 121.825 3.042 17783 4334 1 8 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.792 0.009 17783 4335 1 8 . 1 1 71 71 TYR C C 393 175.550 175.550 175.797 -0.247 17783 4336 1 8 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.354 -1.069 17783 4337 1 8 . 1 1 71 71 TYR CB C 393 42.543 42.543 40.405 2.138 17783 4338 1 8 . 1 1 71 71 TYR H H 393 9.517 9.517 8.129 1.388 17783 4339 1 8 . 1 1 72 72 ALA N N 394 124.217 124.217 128.240 -4.023 17783 4340 1 8 . 1 1 72 72 ALA HA H 394 2.771 2.771 4.116 -1.345 17783 4341 1 8 . 1 1 72 72 ALA C C 394 175.911 175.911 177.088 -1.177 17783 4342 1 8 . 1 1 72 72 ALA CA C 394 53.257 53.257 53.802 -0.545 17783 4343 1 8 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.513 -0.492 17783 4344 1 8 . 1 1 72 72 ALA H H 394 8.984 8.984 8.621 0.363 17783 4345 1 8 . 1 1 73 73 SER N N 395 106.325 106.325 111.762 -5.437 17783 4346 1 8 . 1 1 73 73 SER HA H 395 4.769 4.769 4.782 -0.013 17783 4347 1 8 . 1 1 73 73 SER C C 395 173.686 173.686 174.367 -0.681 17783 4348 1 8 . 1 1 73 73 SER CA C 395 56.031 56.031 56.820 -0.789 17783 4349 1 8 . 1 1 73 73 SER CB C 395 66.773 66.773 65.540 1.233 17783 4350 1 8 . 1 1 73 73 SER H H 395 7.251 7.251 7.526 -0.275 17783 4351 1 8 . 1 1 74 74 LYS N N 396 123.531 123.531 122.258 1.273 17783 4352 1 8 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.434 -0.540 17783 4353 1 8 . 1 1 74 74 LYS C C 396 178.040 178.040 177.416 0.624 17783 4354 1 8 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.443 1.100 17783 4355 1 8 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.755 -0.119 17783 4356 1 8 . 1 1 74 74 LYS H H 396 8.742 8.742 8.611 0.131 17783 4357 1 8 . 1 1 75 75 GLU N N 397 118.740 118.740 117.679 1.061 17783 4358 1 8 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.909 -0.095 17783 4359 1 8 . 1 1 75 75 GLU C C 397 179.136 179.136 178.707 0.429 17783 4360 1 8 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.321 0.756 17783 4361 1 8 . 1 1 75 75 GLU CB C 397 28.748 28.748 28.976 -0.228 17783 4362 1 8 . 1 1 75 75 GLU H H 397 8.529 8.529 8.450 0.079 17783 4363 1 8 . 1 1 76 76 GLU N N 398 119.987 119.987 119.069 0.918 17783 4364 1 8 . 1 1 76 76 GLU HA H 398 3.835 3.835 3.961 -0.126 17783 4365 1 8 . 1 1 76 76 GLU C C 398 178.564 178.564 178.501 0.063 17783 4366 1 8 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.628 0.734 17783 4367 1 8 . 1 1 76 76 GLU CB C 398 30.431 30.431 28.789 1.642 17783 4368 1 8 . 1 1 76 76 GLU H H 398 7.804 7.804 8.388 -0.584 17783 4369 1 8 . 1 1 77 77 ALA N N 399 122.630 122.630 121.631 0.999 17783 4370 1 8 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.037 -0.449 17783 4371 1 8 . 1 1 77 77 ALA C C 399 177.764 177.764 178.771 -1.007 17783 4372 1 8 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.434 -0.072 17783 4373 1 8 . 1 1 77 77 ALA CB C 399 17.665 17.665 17.834 -0.169 17783 4374 1 8 . 1 1 77 77 ALA H H 399 7.294 7.294 7.224 0.070 17783 4375 1 8 . 1 1 78 78 LYS N N 400 115.403 115.403 118.645 -3.242 17783 4376 1 8 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.947 -0.177 17783 4377 1 8 . 1 1 78 78 LYS C C 400 180.700 180.700 179.212 1.488 17783 4378 1 8 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.142 0.400 17783 4379 1 8 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.305 -0.472 17783 4380 1 8 . 1 1 78 78 LYS H H 400 8.001 8.001 7.895 0.106 17783 4381 1 8 . 1 1 79 79 LYS N N 401 119.756 119.756 118.461 1.295 17783 4382 1 8 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.043 -0.074 17783 4383 1 8 . 1 1 79 79 LYS C C 401 178.347 178.347 178.682 -0.335 17783 4384 1 8 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.669 0.307 17783 4385 1 8 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.793 0.505 17783 4386 1 8 . 1 1 79 79 LYS H H 401 7.788 7.788 7.467 0.321 17783 4387 1 8 . 1 1 80 80 ALA N N 402 120.725 120.725 122.371 -1.646 17783 4388 1 8 . 1 1 80 80 ALA HA H 402 4.143 4.143 3.998 0.145 17783 4389 1 8 . 1 1 80 80 ALA C C 402 180.118 180.118 179.167 0.951 17783 4390 1 8 . 1 1 80 80 ALA CA C 402 53.772 53.772 55.128 -1.356 17783 4391 1 8 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.943 0.526 17783 4392 1 8 . 1 1 80 80 ALA H H 402 7.334 7.334 7.606 -0.272 17783 4393 1 8 . 1 1 81 81 VAL N N 403 120.431 120.431 117.317 3.114 17783 4394 1 8 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.648 -0.286 17783 4395 1 8 . 1 1 81 81 VAL C C 403 177.205 177.205 177.940 -0.735 17783 4396 1 8 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.621 1.107 17783 4397 1 8 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.525 0.208 17783 4398 1 8 . 1 1 81 81 VAL H H 403 7.480 7.480 7.569 -0.089 17783 4399 1 8 . 1 1 82 82 SER N N 404 110.126 110.126 112.770 -2.644 17783 4400 1 8 . 1 1 82 82 SER HA H 404 4.143 4.143 4.196 -0.053 17783 4401 1 8 . 1 1 82 82 SER C C 404 174.813 174.813 175.767 -0.954 17783 4402 1 8 . 1 1 82 82 SER CA C 404 60.751 60.751 60.999 -0.248 17783 4403 1 8 . 1 1 82 82 SER CB C 404 63.287 63.287 63.034 0.253 17783 4404 1 8 . 1 1 82 82 SER H H 404 7.326 7.326 7.825 -0.499 17783 4405 1 8 . 1 1 83 83 THR N N 405 110.438 110.438 114.027 -3.589 17783 4406 1 8 . 1 1 83 83 THR HA H 405 4.461 4.461 4.052 0.409 17783 4407 1 8 . 1 1 83 83 THR C C 405 175.081 175.081 175.575 -0.494 17783 4408 1 8 . 1 1 83 83 THR CA C 405 61.761 61.761 64.183 -2.422 17783 4409 1 8 . 1 1 83 83 THR CB C 405 69.795 69.795 69.070 0.725 17783 4410 1 8 . 1 1 83 83 THR H H 405 7.634 7.634 7.630 0.004 17783 4411 1 8 . 1 1 84 84 LEU N N 406 123.244 123.244 123.351 -0.107 17783 4412 1 8 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.180 0.460 17783 4413 1 8 . 1 1 84 84 LEU C C 406 174.599 174.599 176.027 -1.428 17783 4414 1 8 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.497 -1.202 17783 4415 1 8 . 1 1 84 84 LEU CB C 406 40.709 40.709 40.897 -0.188 17783 4416 1 8 . 1 1 84 84 LEU H H 406 7.478 7.478 7.553 -0.075 17783 4417 1 8 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.521 -0.028 17783 4418 1 8 . 1 1 85 85 PRO C C 407 177.743 177.743 177.317 0.426 17783 4419 1 8 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.304 0.840 17783 4420 1 8 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.476 0.445 17783 4421 1 8 . 1 1 86 86 ALA N N 408 128.809 128.809 121.700 7.109 17783 4422 1 8 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.031 -0.085 17783 4423 1 8 . 1 1 86 86 ALA C C 408 180.517 180.517 179.457 1.060 17783 4424 1 8 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.486 1.019 17783 4425 1 8 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.239 0.106 17783 4426 1 8 . 1 1 86 86 ALA H H 408 9.168 9.168 8.539 0.629 17783 4427 1 8 . 1 1 87 87 ASP N N 409 116.520 116.520 119.070 -2.550 17783 4428 1 8 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.430 0.032 17783 4429 1 8 . 1 1 87 87 ASP C C 409 178.081 178.081 177.744 0.337 17783 4430 1 8 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.235 -0.300 17783 4431 1 8 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.182 0.177 17783 4432 1 8 . 1 1 87 87 ASP H H 409 9.359 9.359 8.687 0.672 17783 4433 1 8 . 1 1 88 88 VAL N N 410 117.452 117.452 118.478 -1.026 17783 4434 1 8 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.011 0.078 17783 4435 1 8 . 1 1 88 88 VAL C C 410 178.675 178.675 178.169 0.506 17783 4436 1 8 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.700 -0.825 17783 4437 1 8 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.838 -0.553 17783 4438 1 8 . 1 1 88 88 VAL H H 410 7.355 7.355 7.883 -0.528 17783 4439 1 8 . 1 1 89 89 GLN N N 411 119.387 119.387 119.428 -0.041 17783 4440 1 8 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.939 -0.295 17783 4441 1 8 . 1 1 89 89 GLN C C 411 179.168 179.168 178.751 0.417 17783 4442 1 8 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.592 2.120 17783 4443 1 8 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.386 0.124 17783 4444 1 8 . 1 1 89 89 GLN H H 411 8.271 8.271 8.443 -0.172 17783 4445 1 8 . 1 1 90 90 ALA N N 412 118.634 118.634 123.827 -5.193 17783 4446 1 8 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.066 0.199 17783 4447 1 8 . 1 1 90 90 ALA C C 412 177.949 177.949 178.831 -0.882 17783 4448 1 8 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.787 -0.846 17783 4449 1 8 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.294 0.033 17783 4450 1 8 . 1 1 90 90 ALA H H 412 7.794 7.794 8.098 -0.304 17783 4451 1 8 . 1 1 91 91 LYS N N 413 115.842 115.842 114.897 0.945 17783 4452 1 8 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.233 0.099 17783 4453 1 8 . 1 1 91 91 LYS C C 413 175.829 175.829 176.062 -0.233 17783 4454 1 8 . 1 1 91 91 LYS CA C 413 55.370 55.370 56.004 -0.634 17783 4455 1 8 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.902 -1.418 17783 4456 1 8 . 1 1 91 91 LYS H H 413 7.398 7.398 7.791 -0.393 17783 4457 1 8 . 1 1 92 92 ASN N N 414 113.776 113.776 119.103 -5.327 17783 4458 1 8 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.675 -0.139 17783 4459 1 8 . 1 1 92 92 ASN C C 414 171.075 171.075 173.325 -2.250 17783 4460 1 8 . 1 1 92 92 ASN CA C 414 54.063 54.063 52.989 1.074 17783 4461 1 8 . 1 1 92 92 ASN CB C 414 37.081 37.081 38.039 -0.958 17783 4462 1 8 . 1 1 92 92 ASN H H 414 8.178 8.178 7.887 0.291 17783 4463 1 8 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.603 0.399 17783 4464 1 8 . 1 1 93 93 PRO C C 415 175.682 175.682 176.058 -0.376 17783 4465 1 8 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.730 -0.240 17783 4466 1 8 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.355 1.230 17783 4467 1 8 . 1 1 94 94 TRP N N 416 117.925 117.925 116.099 1.826 17783 4468 1 8 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.868 0.149 17783 4469 1 8 . 1 1 94 94 TRP C C 416 173.607 173.607 174.394 -0.787 17783 4470 1 8 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.509 -0.514 17783 4471 1 8 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.453 1.054 17783 4472 1 8 . 1 1 94 94 TRP H H 416 7.921 7.921 7.812 0.109 17783 4473 1 8 . 1 1 95 95 ALA N N 417 123.924 123.924 124.034 -0.110 17783 4474 1 8 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.244 0.511 17783 4475 1 8 . 1 1 95 95 ALA C C 417 174.171 174.171 176.863 -2.692 17783 4476 1 8 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.050 -0.413 17783 4477 1 8 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.999 0.469 17783 4478 1 8 . 1 1 95 95 ALA H H 417 8.878 8.878 8.434 0.444 17783 4479 1 8 . 1 1 96 96 LYS N N 418 129.441 129.441 127.842 1.599 17783 4480 1 8 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.506 0.515 17783 4481 1 8 . 1 1 96 96 LYS C C 418 173.451 173.451 173.969 -0.518 17783 4482 1 8 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.661 -0.097 17783 4483 1 8 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.975 4.008 17783 4484 1 8 . 1 1 96 96 LYS H H 418 9.235 9.235 7.616 1.619 17783 4485 1 8 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.033 -0.269 17783 4486 1 8 . 1 1 97 97 PRO C C 419 178.893 178.893 177.589 1.304 17783 4487 1 8 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.653 0.242 17783 4488 1 8 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.255 0.465 17783 4489 1 8 . 1 1 98 98 LEU N N 420 126.746 126.746 120.720 6.026 17783 4490 1 8 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.128 -0.325 17783 4491 1 8 . 1 1 98 98 LEU C C 420 179.040 179.040 178.571 0.469 17783 4492 1 8 . 1 1 98 98 LEU CA C 420 57.368 57.368 55.586 1.782 17783 4493 1 8 . 1 1 98 98 LEU CB C 420 39.941 39.941 40.656 -0.715 17783 4494 1 8 . 1 1 98 98 LEU H H 420 9.179 9.179 8.623 0.556 17783 4495 1 8 . 1 1 99 99 ARG N N 421 118.262 118.262 118.894 -0.632 17783 4496 1 8 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.847 0.212 17783 4497 1 8 . 1 1 99 99 ARG C C 421 178.140 178.140 177.605 0.535 17783 4498 1 8 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.916 0.177 17783 4499 1 8 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.481 0.475 17783 4500 1 8 . 1 1 99 99 ARG H H 421 8.014 8.014 8.396 -0.382 17783 4501 1 8 . 1 1 100 100 GLN N N 422 116.539 116.539 116.257 0.282 17783 4502 1 8 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.248 -0.038 17783 4503 1 8 . 1 1 100 100 GLN C C 422 177.594 177.594 178.419 -0.825 17783 4504 1 8 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.793 -0.060 17783 4505 1 8 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.096 0.082 17783 4506 1 8 . 1 1 100 100 GLN H H 422 7.258 7.258 7.719 -0.461 17783 4507 1 8 . 1 1 101 101 VAL N N 423 119.665 119.665 119.727 -0.062 17783 4508 1 8 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.695 -0.147 17783 4509 1 8 . 1 1 101 101 VAL C C 423 177.040 177.040 178.498 -1.458 17783 4510 1 8 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.551 -0.104 17783 4511 1 8 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.527 2.026 17783 4512 1 8 . 1 1 101 101 VAL H H 423 7.090 7.090 8.214 -1.124 17783 4513 1 8 . 1 1 102 102 GLN N N 424 115.032 115.032 118.780 -3.748 17783 4514 1 8 . 1 1 102 102 GLN HA H 424 3.565 3.565 4.035 -0.470 17783 4515 1 8 . 1 1 102 102 GLN C C 424 177.994 177.994 177.297 0.697 17783 4516 1 8 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.886 0.997 17783 4517 1 8 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.037 -0.977 17783 4518 1 8 . 1 1 102 102 GLN H H 424 8.553 8.553 8.103 0.450 17783 4519 1 8 . 1 1 103 103 ALA N N 425 120.742 120.742 122.477 -1.735 17783 4520 1 8 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.097 0.061 17783 4521 1 8 . 1 1 103 103 ALA C C 425 178.545 178.545 178.512 0.033 17783 4522 1 8 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.571 -0.296 17783 4523 1 8 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.930 -0.608 17783 4524 1 8 . 1 1 103 103 ALA H H 425 7.366 7.366 8.273 -0.907 17783 4525 1 8 . 1 1 104 104 ASP N N 426 117.066 117.066 117.972 -0.906 17783 4526 1 8 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.543 0.165 17783 4527 1 8 . 1 1 104 104 ASP C C 426 176.876 176.876 176.930 -0.054 17783 4528 1 8 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.376 -0.152 17783 4529 1 8 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.316 1.184 17783 4530 1 8 . 1 1 104 104 ASP H H 426 7.628 7.628 7.874 -0.246 17783 4531 1 8 . 1 1 105 105 LEU N N 427 119.853 119.853 121.523 -1.670 17783 4532 1 8 . 1 1 105 105 LEU HA H 427 4.299 4.299 3.981 0.318 17783 4533 1 8 . 1 1 105 105 LEU C C 427 176.118 176.118 176.469 -0.351 17783 4534 1 8 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.636 -0.650 17783 4535 1 8 . 1 1 105 105 LEU CB C 427 42.078 42.078 41.693 0.385 17783 4536 1 8 . 1 1 105 105 LEU H H 427 7.242 7.242 7.354 -0.112 17783 4537 1 9 . 1 1 2 2 ARG N N 324 121.883 121.883 123.843 -1.960 17783 4538 1 9 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.354 -0.010 17783 4539 1 9 . 1 1 2 2 ARG C C 324 176.887 176.887 175.893 0.994 17783 4540 1 9 . 1 1 2 2 ARG CA C 324 56.505 56.505 55.860 0.645 17783 4541 1 9 . 1 1 2 2 ARG CB C 324 30.734 30.734 29.634 1.100 17783 4542 1 9 . 1 1 2 2 ARG H H 324 8.373 8.373 8.374 -0.001 17783 4543 1 9 . 1 1 3 3 GLY N N 325 111.231 111.231 113.304 -2.073 17783 4544 1 9 . 1 1 3 3 GLY C C 325 174.037 174.037 173.844 0.193 17783 4545 1 9 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.302 -0.074 17783 4546 1 9 . 1 1 3 3 GLY H H 325 8.683 8.683 8.638 0.045 17783 4547 1 9 . 1 1 4 4 SER N N 326 115.541 115.541 119.957 -4.416 17783 4548 1 9 . 1 1 4 4 SER HA H 326 4.377 4.377 4.262 0.115 17783 4549 1 9 . 1 1 4 4 SER C C 326 174.454 174.454 172.669 1.785 17783 4550 1 9 . 1 1 4 4 SER CA C 326 58.315 58.315 58.007 0.308 17783 4551 1 9 . 1 1 4 4 SER CB C 326 63.902 63.902 63.919 -0.017 17783 4552 1 9 . 1 1 4 4 SER H H 326 8.237 8.237 7.920 0.317 17783 4553 1 9 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.418 0.162 17783 4554 1 9 . 1 1 10 10 HIS C C 332 175.292 175.292 175.660 -0.368 17783 4555 1 9 . 1 1 10 10 HIS CA C 332 55.946 55.946 55.880 0.066 17783 4556 1 9 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.614 0.509 17783 4557 1 9 . 1 1 11 11 GLY N N 333 110.527 110.527 110.898 -0.371 17783 4558 1 9 . 1 1 11 11 GLY C C 333 174.126 174.126 174.512 -0.386 17783 4559 1 9 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.349 -0.021 17783 4560 1 9 . 1 1 11 11 GLY H H 333 8.540 8.540 7.757 0.783 17783 4561 1 9 . 1 1 12 12 SER N N 334 115.752 115.752 120.407 -4.655 17783 4562 1 9 . 1 1 12 12 SER HA H 334 4.436 4.436 4.223 0.213 17783 4563 1 9 . 1 1 12 12 SER C C 334 174.538 174.538 175.043 -0.505 17783 4564 1 9 . 1 1 12 12 SER CA C 334 58.486 58.486 59.310 -0.824 17783 4565 1 9 . 1 1 12 12 SER CB C 334 63.927 63.927 62.200 1.727 17783 4566 1 9 . 1 1 12 12 SER H H 334 8.356 8.356 8.235 0.121 17783 4567 1 9 . 1 1 13 13 ASN N N 335 120.410 120.410 122.616 -2.206 17783 4568 1 9 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.564 0.165 17783 4569 1 9 . 1 1 13 13 ASN C C 335 175.116 175.116 175.108 0.008 17783 4570 1 9 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.276 0.110 17783 4571 1 9 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.141 -0.473 17783 4572 1 9 . 1 1 13 13 ASN H H 335 8.575 8.575 8.072 0.503 17783 4573 1 9 . 1 1 14 14 ASN N N 336 119.094 119.094 116.519 2.575 17783 4574 1 9 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.542 0.187 17783 4575 1 9 . 1 1 14 14 ASN C C 336 175.395 175.395 174.888 0.507 17783 4576 1 9 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.274 0.111 17783 4577 1 9 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.880 -0.212 17783 4578 1 9 . 1 1 14 14 ASN H H 336 8.447 8.447 8.584 -0.137 17783 4579 1 9 . 1 1 15 15 ASN N N 337 118.915 118.915 118.351 0.564 17783 4580 1 9 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.571 -0.037 17783 4581 1 9 . 1 1 15 15 ASN C C 337 176.390 176.390 175.588 0.802 17783 4582 1 9 . 1 1 15 15 ASN CA C 337 53.991 53.991 52.880 1.111 17783 4583 1 9 . 1 1 15 15 ASN CB C 337 38.621 38.621 37.276 1.345 17783 4584 1 9 . 1 1 15 15 ASN H H 337 8.446 8.446 8.783 -0.337 17783 4585 1 9 . 1 1 16 16 GLY N N 338 108.851 108.851 109.409 -0.558 17783 4586 1 9 . 1 1 16 16 GLY C C 338 175.459 175.459 175.488 -0.029 17783 4587 1 9 . 1 1 16 16 GLY CA C 338 46.752 46.752 44.201 2.551 17783 4588 1 9 . 1 1 16 16 GLY H H 338 8.454 8.454 8.120 0.334 17783 4589 1 9 . 1 1 17 17 SER N N 339 116.218 116.218 115.758 0.460 17783 4590 1 9 . 1 1 17 17 SER HA H 339 4.229 4.229 4.318 -0.089 17783 4591 1 9 . 1 1 17 17 SER C C 339 175.869 175.869 176.740 -0.871 17783 4592 1 9 . 1 1 17 17 SER CA C 339 59.759 59.759 60.264 -0.505 17783 4593 1 9 . 1 1 17 17 SER CB C 339 62.973 62.973 62.928 0.045 17783 4594 1 9 . 1 1 17 17 SER H H 339 8.170 8.170 8.423 -0.253 17783 4595 1 9 . 1 1 18 18 LEU N N 340 121.515 121.515 119.771 1.744 17783 4596 1 9 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.008 -0.006 17783 4597 1 9 . 1 1 18 18 LEU C C 340 178.399 178.399 177.839 0.560 17783 4598 1 9 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.965 0.186 17783 4599 1 9 . 1 1 18 18 LEU CB C 340 42.076 42.076 40.719 1.357 17783 4600 1 9 . 1 1 18 18 LEU H H 340 7.790 7.790 8.403 -0.613 17783 4601 1 9 . 1 1 19 19 LYS N N 341 117.145 117.145 116.643 0.502 17783 4602 1 9 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.077 -0.269 17783 4603 1 9 . 1 1 19 19 LYS C C 341 176.960 176.960 177.875 -0.915 17783 4604 1 9 . 1 1 19 19 LYS CA C 341 59.192 59.192 57.955 1.237 17783 4605 1 9 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.093 0.701 17783 4606 1 9 . 1 1 19 19 LYS H H 341 7.893 7.893 7.652 0.241 17783 4607 1 9 . 1 1 20 20 SER N N 342 110.377 110.377 118.111 -7.734 17783 4608 1 9 . 1 1 20 20 SER HA H 342 4.369 4.369 4.389 -0.020 17783 4609 1 9 . 1 1 20 20 SER C C 342 173.735 173.735 173.138 0.597 17783 4610 1 9 . 1 1 20 20 SER CA C 342 58.141 58.141 58.908 -0.767 17783 4611 1 9 . 1 1 20 20 SER CB C 342 63.900 63.900 61.155 2.745 17783 4612 1 9 . 1 1 20 20 SER H H 342 7.546 7.546 8.488 -0.942 17783 4613 1 9 . 1 1 21 21 ALA N N 343 125.662 125.662 123.762 1.900 17783 4614 1 9 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.665 -0.303 17783 4615 1 9 . 1 1 21 21 ALA C C 343 174.051 174.051 174.668 -0.617 17783 4616 1 9 . 1 1 21 21 ALA CA C 343 50.572 50.572 50.025 0.547 17783 4617 1 9 . 1 1 21 21 ALA CB C 343 18.134 18.134 20.140 -2.006 17783 4618 1 9 . 1 1 21 21 ALA H H 343 6.852 6.852 7.699 -0.847 17783 4619 1 9 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.517 -0.279 17783 4620 1 9 . 1 1 22 22 PRO C C 344 178.184 178.184 176.153 2.031 17783 4621 1 9 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.889 0.193 17783 4622 1 9 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.702 0.902 17783 4623 1 9 . 1 1 23 23 SER N N 345 118.662 118.662 118.855 -0.193 17783 4624 1 9 . 1 1 23 23 SER HA H 345 3.825 3.825 4.224 -0.399 17783 4625 1 9 . 1 1 23 23 SER C C 345 174.231 174.231 175.799 -1.568 17783 4626 1 9 . 1 1 23 23 SER CA C 345 60.892 60.892 59.086 1.806 17783 4627 1 9 . 1 1 23 23 SER CB C 345 63.223 63.223 63.485 -0.262 17783 4628 1 9 . 1 1 23 23 SER H H 345 8.566 8.566 8.255 0.311 17783 4629 1 9 . 1 1 24 24 SER N N 346 111.938 111.938 117.663 -5.725 17783 4630 1 9 . 1 1 24 24 SER HA H 346 4.383 4.383 4.195 0.188 17783 4631 1 9 . 1 1 24 24 SER C C 346 175.152 175.152 174.603 0.549 17783 4632 1 9 . 1 1 24 24 SER CA C 346 58.247 58.247 60.699 -2.452 17783 4633 1 9 . 1 1 24 24 SER CB C 346 63.958 63.958 62.987 0.971 17783 4634 1 9 . 1 1 24 24 SER H H 346 7.675 7.675 8.602 -0.927 17783 4635 1 9 . 1 1 25 25 HIS N N 347 122.882 122.882 118.320 4.562 17783 4636 1 9 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.860 -0.010 17783 4637 1 9 . 1 1 25 25 HIS C C 347 173.574 173.574 175.520 -1.946 17783 4638 1 9 . 1 1 25 25 HIS CA C 347 56.075 56.075 57.353 -1.278 17783 4639 1 9 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.194 1.654 17783 4640 1 9 . 1 1 25 25 HIS H H 347 7.628 7.628 7.951 -0.323 17783 4641 1 9 . 1 1 26 26 TYR N N 348 117.921 117.921 121.108 -3.187 17783 4642 1 9 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.617 0.372 17783 4643 1 9 . 1 1 26 26 TYR C C 348 174.086 174.086 175.265 -1.179 17783 4644 1 9 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.981 0.206 17783 4645 1 9 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.756 2.078 17783 4646 1 9 . 1 1 26 26 TYR H H 348 9.606 9.606 8.407 1.199 17783 4647 1 9 . 1 1 27 27 THR N N 349 115.914 115.914 114.791 1.123 17783 4648 1 9 . 1 1 27 27 THR HA H 349 5.027 5.027 4.715 0.312 17783 4649 1 9 . 1 1 27 27 THR C C 349 172.904 172.904 173.304 -0.400 17783 4650 1 9 . 1 1 27 27 THR CA C 349 58.835 58.835 61.914 -3.079 17783 4651 1 9 . 1 1 27 27 THR CB C 349 70.587 70.587 70.099 0.488 17783 4652 1 9 . 1 1 27 27 THR H H 349 8.974 8.974 8.450 0.524 17783 4653 1 9 . 1 1 28 28 LEU N N 350 123.392 123.392 125.877 -2.485 17783 4654 1 9 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.370 0.619 17783 4655 1 9 . 1 1 28 28 LEU C C 350 176.111 176.111 176.712 -0.601 17783 4656 1 9 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.352 -2.254 17783 4657 1 9 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.854 2.016 17783 4658 1 9 . 1 1 28 28 LEU H H 350 8.249 8.249 8.560 -0.311 17783 4659 1 9 . 1 1 29 29 GLN N N 351 122.797 122.797 116.203 6.594 17783 4660 1 9 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.602 -0.049 17783 4661 1 9 . 1 1 29 29 GLN C C 351 175.435 175.435 176.078 -0.643 17783 4662 1 9 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.545 1.398 17783 4663 1 9 . 1 1 29 29 GLN CB C 351 27.231 27.231 31.218 -3.987 17783 4664 1 9 . 1 1 29 29 GLN H H 351 8.915 8.915 7.990 0.925 17783 4665 1 9 . 1 1 30 30 LEU N N 352 125.239 125.239 126.967 -1.728 17783 4666 1 9 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.425 -0.058 17783 4667 1 9 . 1 1 30 30 LEU C C 352 177.250 177.250 176.263 0.987 17783 4668 1 9 . 1 1 30 30 LEU CA C 352 56.101 56.101 56.882 -0.781 17783 4669 1 9 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.900 0.200 17783 4670 1 9 . 1 1 30 30 LEU H H 352 8.920 8.920 8.348 0.572 17783 4671 1 9 . 1 1 31 31 SER N N 353 106.816 106.816 108.043 -1.227 17783 4672 1 9 . 1 1 31 31 SER HA H 353 4.493 4.493 4.497 -0.004 17783 4673 1 9 . 1 1 31 31 SER C C 353 171.831 171.831 172.338 -0.507 17783 4674 1 9 . 1 1 31 31 SER CA C 353 57.160 57.160 57.745 -0.585 17783 4675 1 9 . 1 1 31 31 SER CB C 353 64.360 64.360 64.086 0.274 17783 4676 1 9 . 1 1 31 31 SER H H 353 7.548 7.548 8.009 -0.461 17783 4677 1 9 . 1 1 32 32 SER N N 354 113.518 113.518 114.920 -1.402 17783 4678 1 9 . 1 1 32 32 SER HA H 354 5.026 5.026 4.308 0.719 17783 4679 1 9 . 1 1 32 32 SER C C 354 172.512 172.512 171.575 0.937 17783 4680 1 9 . 1 1 32 32 SER CA C 354 57.285 57.285 57.418 -0.133 17783 4681 1 9 . 1 1 32 32 SER CB C 354 65.347 65.347 63.842 1.505 17783 4682 1 9 . 1 1 32 32 SER H H 354 8.127 8.127 8.204 -0.077 17783 4683 1 9 . 1 1 33 33 SER N N 355 114.624 114.624 115.616 -0.992 17783 4684 1 9 . 1 1 33 33 SER HA H 355 4.106 4.106 4.240 -0.134 17783 4685 1 9 . 1 1 33 33 SER C C 355 171.639 171.639 171.792 -0.153 17783 4686 1 9 . 1 1 33 33 SER CA C 355 57.276 57.276 57.730 -0.453 17783 4687 1 9 . 1 1 33 33 SER CB C 355 64.539 64.539 64.643 -0.104 17783 4688 1 9 . 1 1 33 33 SER H H 355 8.616 8.616 6.488 2.128 17783 4689 1 9 . 1 1 34 34 SER N N 356 116.467 116.467 115.906 0.561 17783 4690 1 9 . 1 1 34 34 SER HA H 356 4.241 4.241 4.929 -0.688 17783 4691 1 9 . 1 1 34 34 SER C C 356 173.820 173.820 173.015 0.805 17783 4692 1 9 . 1 1 34 34 SER CA C 356 59.074 59.074 58.420 0.654 17783 4693 1 9 . 1 1 34 34 SER CB C 356 63.741 63.741 63.704 0.037 17783 4694 1 9 . 1 1 34 34 SER H H 356 8.132 8.132 8.392 -0.260 17783 4695 1 9 . 1 1 35 35 ASN N N 357 122.206 122.206 119.140 3.066 17783 4696 1 9 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.123 -0.202 17783 4697 1 9 . 1 1 35 35 ASN C C 357 172.965 172.965 174.590 -1.625 17783 4698 1 9 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.540 -1.093 17783 4699 1 9 . 1 1 35 35 ASN CB C 357 40.925 40.925 41.783 -0.858 17783 4700 1 9 . 1 1 35 35 ASN H H 357 8.511 8.511 8.214 0.297 17783 4701 1 9 . 1 1 36 36 TYR N N 358 127.519 127.519 126.229 1.290 17783 4702 1 9 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.907 -0.935 17783 4703 1 9 . 1 1 36 36 TYR C C 358 176.522 176.522 176.065 0.457 17783 4704 1 9 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.022 -0.053 17783 4705 1 9 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.453 -0.742 17783 4706 1 9 . 1 1 36 36 TYR H H 358 8.002 8.002 8.959 -0.957 17783 4707 1 9 . 1 1 37 37 ASP N N 359 118.658 118.658 118.289 0.369 17783 4708 1 9 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.363 -0.219 17783 4709 1 9 . 1 1 37 37 ASP C C 359 179.804 179.804 178.670 1.134 17783 4710 1 9 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.186 -0.683 17783 4711 1 9 . 1 1 37 37 ASP CB C 359 40.178 40.178 39.912 0.266 17783 4712 1 9 . 1 1 37 37 ASP H H 359 8.033 8.033 8.978 -0.945 17783 4713 1 9 . 1 1 38 38 ASN N N 360 119.802 119.802 118.131 1.671 17783 4714 1 9 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.519 -0.216 17783 4715 1 9 . 1 1 38 38 ASN C C 360 177.720 177.720 177.376 0.344 17783 4716 1 9 . 1 1 38 38 ASN CA C 360 55.450 55.450 56.014 -0.564 17783 4717 1 9 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.506 -0.743 17783 4718 1 9 . 1 1 38 38 ASN H H 360 8.380 8.380 8.248 0.132 17783 4719 1 9 . 1 1 39 39 LEU N N 361 121.625 121.625 121.186 0.439 17783 4720 1 9 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.110 -0.013 17783 4721 1 9 . 1 1 39 39 LEU C C 361 177.738 177.738 177.810 -0.072 17783 4722 1 9 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.497 -0.932 17783 4723 1 9 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.939 0.789 17783 4724 1 9 . 1 1 39 39 LEU H H 361 7.243 7.243 8.065 -0.822 17783 4725 1 9 . 1 1 40 40 ASN N N 362 116.601 116.601 117.528 -0.927 17783 4726 1 9 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.188 -0.043 17783 4727 1 9 . 1 1 40 40 ASN C C 362 177.253 177.253 177.502 -0.249 17783 4728 1 9 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.842 -0.315 17783 4729 1 9 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.232 1.094 17783 4730 1 9 . 1 1 40 40 ASN H H 362 8.284 8.284 8.266 0.018 17783 4731 1 9 . 1 1 41 41 GLY N N 363 104.958 104.958 108.088 -3.130 17783 4732 1 9 . 1 1 41 41 GLY C C 363 176.323 176.323 175.801 0.522 17783 4733 1 9 . 1 1 41 41 GLY CA C 363 46.839 46.839 47.025 -0.186 17783 4734 1 9 . 1 1 41 41 GLY H H 363 8.334 8.334 8.027 0.307 17783 4735 1 9 . 1 1 42 42 TRP N N 364 125.066 125.066 124.484 0.582 17783 4736 1 9 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.211 0.015 17783 4737 1 9 . 1 1 42 42 TRP C C 364 176.509 176.509 177.912 -1.403 17783 4738 1 9 . 1 1 42 42 TRP CA C 364 61.489 61.489 61.066 0.423 17783 4739 1 9 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.431 -1.555 17783 4740 1 9 . 1 1 42 42 TRP H H 364 7.833 7.833 8.040 -0.207 17783 4741 1 9 . 1 1 43 43 ALA N N 365 120.030 120.030 120.889 -0.859 17783 4742 1 9 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.303 -0.309 17783 4743 1 9 . 1 1 43 43 ALA C C 365 179.186 179.186 179.634 -0.448 17783 4744 1 9 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.189 -0.188 17783 4745 1 9 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.971 -0.883 17783 4746 1 9 . 1 1 43 43 ALA H H 365 7.701 7.701 8.998 -1.297 17783 4747 1 9 . 1 1 44 44 LYS N N 366 115.064 115.064 116.102 -1.038 17783 4748 1 9 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.062 -0.029 17783 4749 1 9 . 1 1 44 44 LYS C C 366 180.830 180.830 178.548 2.282 17783 4750 1 9 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.278 0.713 17783 4751 1 9 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.337 0.013 17783 4752 1 9 . 1 1 44 44 LYS H H 366 7.562 7.562 7.923 -0.361 17783 4753 1 9 . 1 1 45 45 LYS N N 367 123.180 123.180 119.955 3.225 17783 4754 1 9 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.067 -0.160 17783 4755 1 9 . 1 1 45 45 LYS C C 367 178.319 178.319 178.370 -0.051 17783 4756 1 9 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.681 0.363 17783 4757 1 9 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.587 -0.521 17783 4758 1 9 . 1 1 45 45 LYS H H 367 8.067 8.067 7.675 0.392 17783 4759 1 9 . 1 1 46 46 GLU N N 368 114.882 114.882 115.515 -0.633 17783 4760 1 9 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.030 -0.113 17783 4761 1 9 . 1 1 46 46 GLU C C 368 174.639 174.639 175.663 -1.024 17783 4762 1 9 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.428 -1.412 17783 4763 1 9 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.090 -1.413 17783 4764 1 9 . 1 1 46 46 GLU H H 368 7.488 7.488 7.561 -0.073 17783 4765 1 9 . 1 1 47 47 ASN N N 369 114.944 114.944 115.571 -0.627 17783 4766 1 9 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.216 0.056 17783 4767 1 9 . 1 1 47 47 ASN C C 369 174.759 174.759 174.251 0.508 17783 4768 1 9 . 1 1 47 47 ASN CA C 369 53.704 53.704 52.835 0.869 17783 4769 1 9 . 1 1 47 47 ASN CB C 369 37.059 37.059 37.320 -0.261 17783 4770 1 9 . 1 1 47 47 ASN H H 369 7.772 7.772 7.385 0.387 17783 4771 1 9 . 1 1 48 48 LEU N N 370 116.008 116.008 119.482 -3.474 17783 4772 1 9 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.880 0.240 17783 4773 1 9 . 1 1 48 48 LEU C C 370 177.056 177.056 176.038 1.018 17783 4774 1 9 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.473 -0.355 17783 4775 1 9 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.201 0.716 17783 4776 1 9 . 1 1 48 48 LEU H H 370 7.463 7.463 7.176 0.287 17783 4777 1 9 . 1 1 49 49 LYS N N 371 120.012 120.012 123.264 -3.252 17783 4778 1 9 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.425 0.135 17783 4779 1 9 . 1 1 49 49 LYS C C 371 176.481 176.481 176.644 -0.163 17783 4780 1 9 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.654 -0.325 17783 4781 1 9 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.028 1.527 17783 4782 1 9 . 1 1 49 49 LYS H H 371 8.518 8.518 8.109 0.409 17783 4783 1 9 . 1 1 50 50 ASN N N 372 117.610 117.610 120.035 -2.425 17783 4784 1 9 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.381 0.133 17783 4785 1 9 . 1 1 50 50 ASN C C 372 173.445 173.445 173.459 -0.014 17783 4786 1 9 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.115 -0.678 17783 4787 1 9 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.019 -0.087 17783 4788 1 9 . 1 1 50 50 ASN H H 372 8.734 8.734 8.822 -0.088 17783 4789 1 9 . 1 1 51 51 TYR N N 373 117.151 117.151 116.858 0.293 17783 4790 1 9 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.980 0.415 17783 4791 1 9 . 1 1 51 51 TYR C C 373 173.549 173.549 173.352 0.197 17783 4792 1 9 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.060 -0.278 17783 4793 1 9 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.230 0.181 17783 4794 1 9 . 1 1 51 51 TYR H H 373 7.570 7.570 7.701 -0.131 17783 4795 1 9 . 1 1 52 52 VAL N N 374 120.887 120.887 122.808 -1.921 17783 4796 1 9 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.279 0.019 17783 4797 1 9 . 1 1 52 52 VAL C C 374 174.289 174.289 174.356 -0.067 17783 4798 1 9 . 1 1 52 52 VAL CA C 374 61.714 61.714 60.659 1.055 17783 4799 1 9 . 1 1 52 52 VAL CB C 374 36.584 36.584 35.154 1.430 17783 4800 1 9 . 1 1 52 52 VAL H H 374 9.140 9.140 8.871 0.269 17783 4801 1 9 . 1 1 53 53 VAL N N 375 126.060 126.060 123.464 2.596 17783 4802 1 9 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.440 0.975 17783 4803 1 9 . 1 1 53 53 VAL C C 375 175.803 175.803 175.268 0.535 17783 4804 1 9 . 1 1 53 53 VAL CA C 375 60.656 60.656 61.450 -0.794 17783 4805 1 9 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.978 0.758 17783 4806 1 9 . 1 1 53 53 VAL H H 375 8.600 8.600 8.249 0.351 17783 4807 1 9 . 1 1 54 54 TYR N N 376 125.706 125.706 123.705 2.001 17783 4808 1 9 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.066 0.356 17783 4809 1 9 . 1 1 54 54 TYR C C 376 172.139 172.139 173.796 -1.657 17783 4810 1 9 . 1 1 54 54 TYR CA C 376 55.129 55.129 56.241 -1.112 17783 4811 1 9 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.628 1.029 17783 4812 1 9 . 1 1 54 54 TYR H H 376 9.292 9.292 8.295 0.997 17783 4813 1 9 . 1 1 55 55 GLU N N 377 122.063 122.063 119.337 2.726 17783 4814 1 9 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.794 0.920 17783 4815 1 9 . 1 1 55 55 GLU C C 377 175.011 175.011 175.466 -0.455 17783 4816 1 9 . 1 1 55 55 GLU CA C 377 55.143 55.143 54.800 0.343 17783 4817 1 9 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.749 1.910 17783 4818 1 9 . 1 1 55 55 GLU H H 377 8.758 8.758 8.611 0.147 17783 4819 1 9 . 1 1 56 56 THR N N 378 122.855 122.855 113.572 9.283 17783 4820 1 9 . 1 1 56 56 THR HA H 378 4.848 4.848 4.594 0.254 17783 4821 1 9 . 1 1 56 56 THR C C 378 173.550 173.550 172.768 0.782 17783 4822 1 9 . 1 1 56 56 THR CA C 378 58.732 58.732 60.966 -2.234 17783 4823 1 9 . 1 1 56 56 THR CB C 378 70.181 70.181 69.231 0.950 17783 4824 1 9 . 1 1 56 56 THR H H 378 9.160 9.160 7.638 1.522 17783 4825 1 9 . 1 1 57 57 THR N N 379 116.629 116.629 112.833 3.796 17783 4826 1 9 . 1 1 57 57 THR HA H 379 5.145 5.145 4.758 0.387 17783 4827 1 9 . 1 1 57 57 THR C C 379 173.973 173.973 173.126 0.847 17783 4828 1 9 . 1 1 57 57 THR CA C 379 60.517 60.517 60.272 0.245 17783 4829 1 9 . 1 1 57 57 THR CB C 379 71.582 71.582 70.814 0.768 17783 4830 1 9 . 1 1 57 57 THR H H 379 8.677 8.677 8.442 0.235 17783 4831 1 9 . 1 1 58 58 ARG N N 380 124.546 124.546 123.223 1.323 17783 4832 1 9 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.506 -0.198 17783 4833 1 9 . 1 1 58 58 ARG C C 380 176.074 176.074 174.791 1.283 17783 4834 1 9 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.732 -1.222 17783 4835 1 9 . 1 1 58 58 ARG CB C 380 32.473 32.473 32.558 -0.085 17783 4836 1 9 . 1 1 58 58 ARG H H 380 9.117 9.117 8.717 0.400 17783 4837 1 9 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.347 -0.041 17783 4838 1 9 . 1 1 59 59 ASN C C 381 175.444 175.444 175.873 -0.429 17783 4839 1 9 . 1 1 59 59 ASN CA C 381 54.237 54.237 54.224 0.013 17783 4840 1 9 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.635 -0.422 17783 4841 1 9 . 1 1 60 60 GLY N N 382 103.015 103.015 106.568 -3.553 17783 4842 1 9 . 1 1 60 60 GLY C C 382 173.488 173.488 173.738 -0.250 17783 4843 1 9 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.735 -0.262 17783 4844 1 9 . 1 1 60 60 GLY H H 382 8.639 8.639 8.602 0.037 17783 4845 1 9 . 1 1 61 61 GLN N N 383 119.903 119.903 118.801 1.102 17783 4846 1 9 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.636 0.364 17783 4847 1 9 . 1 1 61 61 GLN C C 383 172.730 172.730 173.369 -0.639 17783 4848 1 9 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.126 0.565 17783 4849 1 9 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.167 0.544 17783 4850 1 9 . 1 1 61 61 GLN H H 383 7.697 7.697 7.609 0.088 17783 4851 1 9 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.440 0.174 17783 4852 1 9 . 1 1 62 62 PRO C C 384 175.576 175.576 175.535 0.041 17783 4853 1 9 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.170 0.832 17783 4854 1 9 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.046 0.499 17783 4855 1 9 . 1 1 63 63 TRP N N 385 126.621 126.621 123.976 2.645 17783 4856 1 9 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.729 -0.218 17783 4857 1 9 . 1 1 63 63 TRP C C 385 172.096 172.096 173.373 -1.277 17783 4858 1 9 . 1 1 63 63 TRP CA C 385 56.082 56.082 56.245 -0.163 17783 4859 1 9 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.269 1.905 17783 4860 1 9 . 1 1 63 63 TRP H H 385 8.063 8.063 7.634 0.429 17783 4861 1 9 . 1 1 64 64 TYR N N 386 124.129 124.129 121.577 2.552 17783 4862 1 9 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.339 0.879 17783 4863 1 9 . 1 1 64 64 TYR C C 386 173.544 173.544 174.035 -0.491 17783 4864 1 9 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.393 0.376 17783 4865 1 9 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.786 2.647 17783 4866 1 9 . 1 1 64 64 TYR H H 386 7.954 7.954 7.521 0.433 17783 4867 1 9 . 1 1 65 65 VAL N N 387 121.167 121.167 122.245 -1.078 17783 4868 1 9 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.455 -0.592 17783 4869 1 9 . 1 1 65 65 VAL C C 387 172.675 172.675 174.286 -1.611 17783 4870 1 9 . 1 1 65 65 VAL CA C 387 61.257 61.257 59.575 1.682 17783 4871 1 9 . 1 1 65 65 VAL CB C 387 34.133 34.133 34.544 -0.411 17783 4872 1 9 . 1 1 65 65 VAL H H 387 8.409 8.409 7.645 0.764 17783 4873 1 9 . 1 1 66 66 LEU N N 388 127.479 127.479 125.787 1.692 17783 4874 1 9 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.945 0.478 17783 4875 1 9 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.735 -0.239 17783 4876 1 9 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.787 0.968 17783 4877 1 9 . 1 1 66 66 LEU H H 388 8.200 8.200 8.804 -0.604 17783 4878 1 9 . 1 1 67 67 VAL N N 389 120.778 120.778 116.372 4.406 17783 4879 1 9 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.694 1.145 17783 4880 1 9 . 1 1 67 67 VAL C C 389 174.934 174.934 174.576 0.358 17783 4881 1 9 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.240 -2.413 17783 4882 1 9 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.657 -0.964 17783 4883 1 9 . 1 1 67 67 VAL H H 389 9.314 9.314 8.579 0.735 17783 4884 1 9 . 1 1 68 68 SER N N 390 113.588 113.588 120.381 -6.793 17783 4885 1 9 . 1 1 68 68 SER HA H 390 4.850 4.850 4.579 0.271 17783 4886 1 9 . 1 1 68 68 SER C C 390 174.691 174.691 175.543 -0.852 17783 4887 1 9 . 1 1 68 68 SER CA C 390 58.213 58.213 57.502 0.711 17783 4888 1 9 . 1 1 68 68 SER CB C 390 66.007 66.007 62.796 3.211 17783 4889 1 9 . 1 1 68 68 SER H H 390 8.803 8.803 8.544 0.259 17783 4890 1 9 . 1 1 69 69 GLY N N 391 115.161 115.161 115.796 -0.635 17783 4891 1 9 . 1 1 69 69 GLY C C 391 172.208 172.208 172.471 -0.263 17783 4892 1 9 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.578 -1.253 17783 4893 1 9 . 1 1 69 69 GLY H H 391 8.436 8.436 8.419 0.017 17783 4894 1 9 . 1 1 70 70 VAL N N 392 117.033 117.033 116.906 0.127 17783 4895 1 9 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.238 0.242 17783 4896 1 9 . 1 1 70 70 VAL C C 392 174.635 174.635 174.125 0.510 17783 4897 1 9 . 1 1 70 70 VAL CA C 392 62.203 62.203 59.711 2.492 17783 4898 1 9 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.557 -0.320 17783 4899 1 9 . 1 1 70 70 VAL H H 392 7.188 7.188 7.435 -0.247 17783 4900 1 9 . 1 1 71 71 TYR N N 393 124.867 124.867 122.832 2.035 17783 4901 1 9 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.816 -0.015 17783 4902 1 9 . 1 1 71 71 TYR C C 393 175.550 175.550 176.466 -0.916 17783 4903 1 9 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.288 -1.003 17783 4904 1 9 . 1 1 71 71 TYR CB C 393 42.543 42.543 38.795 3.748 17783 4905 1 9 . 1 1 71 71 TYR H H 393 9.517 9.517 7.917 1.600 17783 4906 1 9 . 1 1 72 72 ALA N N 394 124.217 124.217 128.035 -3.818 17783 4907 1 9 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.731 -0.960 17783 4908 1 9 . 1 1 72 72 ALA C C 394 175.911 175.911 177.860 -1.949 17783 4909 1 9 . 1 1 72 72 ALA CA C 394 53.257 53.257 55.122 -1.865 17783 4910 1 9 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.784 0.237 17783 4911 1 9 . 1 1 72 72 ALA H H 394 8.984 8.984 8.943 0.041 17783 4912 1 9 . 1 1 73 73 SER N N 395 106.325 106.325 111.096 -4.771 17783 4913 1 9 . 1 1 73 73 SER HA H 395 4.769 4.769 4.626 0.143 17783 4914 1 9 . 1 1 73 73 SER C C 395 173.686 173.686 175.036 -1.350 17783 4915 1 9 . 1 1 73 73 SER CA C 395 56.031 56.031 57.401 -1.370 17783 4916 1 9 . 1 1 73 73 SER CB C 395 66.773 66.773 65.426 1.347 17783 4917 1 9 . 1 1 73 73 SER H H 395 7.251 7.251 7.763 -0.512 17783 4918 1 9 . 1 1 74 74 LYS N N 396 123.531 123.531 122.336 1.195 17783 4919 1 9 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.511 -0.617 17783 4920 1 9 . 1 1 74 74 LYS C C 396 178.040 178.040 178.205 -0.165 17783 4921 1 9 . 1 1 74 74 LYS CA C 396 59.543 59.543 59.151 0.392 17783 4922 1 9 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.613 0.023 17783 4923 1 9 . 1 1 74 74 LYS H H 396 8.742 8.742 8.596 0.146 17783 4924 1 9 . 1 1 75 75 GLU N N 397 118.740 118.740 119.069 -0.329 17783 4925 1 9 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.931 -0.117 17783 4926 1 9 . 1 1 75 75 GLU C C 397 179.136 179.136 178.549 0.587 17783 4927 1 9 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.604 0.473 17783 4928 1 9 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.048 -0.300 17783 4929 1 9 . 1 1 75 75 GLU H H 397 8.529 8.529 8.571 -0.042 17783 4930 1 9 . 1 1 76 76 GLU N N 398 119.987 119.987 118.109 1.878 17783 4931 1 9 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.073 -0.238 17783 4932 1 9 . 1 1 76 76 GLU C C 398 178.564 178.564 178.227 0.337 17783 4933 1 9 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.293 1.069 17783 4934 1 9 . 1 1 76 76 GLU CB C 398 30.431 30.431 28.817 1.614 17783 4935 1 9 . 1 1 76 76 GLU H H 398 7.804 7.804 8.445 -0.641 17783 4936 1 9 . 1 1 77 77 ALA N N 399 122.630 122.630 122.476 0.154 17783 4937 1 9 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.012 -0.424 17783 4938 1 9 . 1 1 77 77 ALA C C 399 177.764 177.764 178.731 -0.967 17783 4939 1 9 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.642 -0.282 17783 4940 1 9 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.177 -0.512 17783 4941 1 9 . 1 1 77 77 ALA H H 399 7.294 7.294 7.499 -0.205 17783 4942 1 9 . 1 1 78 78 LYS N N 400 115.403 115.403 116.230 -0.827 17783 4943 1 9 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.932 -0.162 17783 4944 1 9 . 1 1 78 78 LYS C C 400 180.700 180.700 177.619 3.081 17783 4945 1 9 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.362 1.180 17783 4946 1 9 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.204 -0.371 17783 4947 1 9 . 1 1 78 78 LYS H H 400 8.001 8.001 7.854 0.147 17783 4948 1 9 . 1 1 79 79 LYS N N 401 119.756 119.756 119.222 0.534 17783 4949 1 9 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.078 -0.109 17783 4950 1 9 . 1 1 79 79 LYS C C 401 178.347 178.347 178.056 0.291 17783 4951 1 9 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.688 0.288 17783 4952 1 9 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.403 -0.105 17783 4953 1 9 . 1 1 79 79 LYS H H 401 7.788 7.788 7.198 0.590 17783 4954 1 9 . 1 1 80 80 ALA N N 402 120.725 120.725 121.629 -0.904 17783 4955 1 9 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.050 0.093 17783 4956 1 9 . 1 1 80 80 ALA C C 402 180.118 180.118 178.964 1.154 17783 4957 1 9 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.757 -0.985 17783 4958 1 9 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.735 0.734 17783 4959 1 9 . 1 1 80 80 ALA H H 402 7.334 7.334 7.231 0.103 17783 4960 1 9 . 1 1 81 81 VAL N N 403 120.431 120.431 119.073 1.358 17783 4961 1 9 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.573 -0.211 17783 4962 1 9 . 1 1 81 81 VAL C C 403 177.205 177.205 177.936 -0.731 17783 4963 1 9 . 1 1 81 81 VAL CA C 403 66.728 66.728 66.088 0.640 17783 4964 1 9 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.524 0.208 17783 4965 1 9 . 1 1 81 81 VAL H H 403 7.480 7.480 7.442 0.038 17783 4966 1 9 . 1 1 82 82 SER N N 404 110.126 110.126 113.437 -3.311 17783 4967 1 9 . 1 1 82 82 SER HA H 404 4.143 4.143 4.114 0.029 17783 4968 1 9 . 1 1 82 82 SER C C 404 174.813 174.813 175.770 -0.957 17783 4969 1 9 . 1 1 82 82 SER CA C 404 60.751 60.751 61.313 -0.562 17783 4970 1 9 . 1 1 82 82 SER CB C 404 63.287 63.287 63.101 0.186 17783 4971 1 9 . 1 1 82 82 SER H H 404 7.326 7.326 8.042 -0.716 17783 4972 1 9 . 1 1 83 83 THR N N 405 110.438 110.438 114.424 -3.986 17783 4973 1 9 . 1 1 83 83 THR HA H 405 4.461 4.461 4.103 0.358 17783 4974 1 9 . 1 1 83 83 THR C C 405 175.081 175.081 175.691 -0.610 17783 4975 1 9 . 1 1 83 83 THR CA C 405 61.761 61.761 64.392 -2.631 17783 4976 1 9 . 1 1 83 83 THR CB C 405 69.795 69.795 69.420 0.375 17783 4977 1 9 . 1 1 83 83 THR H H 405 7.634 7.634 7.367 0.267 17783 4978 1 9 . 1 1 84 84 LEU N N 406 123.244 123.244 124.069 -0.825 17783 4979 1 9 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.256 0.384 17783 4980 1 9 . 1 1 84 84 LEU C C 406 174.599 174.599 175.781 -1.182 17783 4981 1 9 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.572 -1.277 17783 4982 1 9 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.344 -0.635 17783 4983 1 9 . 1 1 84 84 LEU H H 406 7.478 7.478 8.089 -0.611 17783 4984 1 9 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.506 -0.013 17783 4985 1 9 . 1 1 85 85 PRO C C 407 177.743 177.743 177.248 0.495 17783 4986 1 9 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.283 0.861 17783 4987 1 9 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.475 0.446 17783 4988 1 9 . 1 1 86 86 ALA N N 408 128.809 128.809 122.376 6.433 17783 4989 1 9 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.002 -0.056 17783 4990 1 9 . 1 1 86 86 ALA C C 408 180.517 180.517 179.488 1.029 17783 4991 1 9 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.798 0.707 17783 4992 1 9 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.860 -0.515 17783 4993 1 9 . 1 1 86 86 ALA H H 408 9.168 9.168 8.516 0.652 17783 4994 1 9 . 1 1 87 87 ASP N N 409 116.520 116.520 118.102 -1.582 17783 4995 1 9 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.371 0.091 17783 4996 1 9 . 1 1 87 87 ASP C C 409 178.081 178.081 177.941 0.140 17783 4997 1 9 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.170 -0.235 17783 4998 1 9 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.535 -0.176 17783 4999 1 9 . 1 1 87 87 ASP H H 409 9.359 9.359 8.953 0.406 17783 5000 1 9 . 1 1 88 88 VAL N N 410 117.452 117.452 117.358 0.094 17783 5001 1 9 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.014 0.075 17783 5002 1 9 . 1 1 88 88 VAL C C 410 178.675 178.675 178.201 0.474 17783 5003 1 9 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.080 -0.205 17783 5004 1 9 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.192 -0.907 17783 5005 1 9 . 1 1 88 88 VAL H H 410 7.355 7.355 7.854 -0.499 17783 5006 1 9 . 1 1 89 89 GLN N N 411 119.387 119.387 120.184 -0.797 17783 5007 1 9 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.985 -0.341 17783 5008 1 9 . 1 1 89 89 GLN C C 411 179.168 179.168 178.417 0.751 17783 5009 1 9 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.851 1.861 17783 5010 1 9 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.621 -0.111 17783 5011 1 9 . 1 1 89 89 GLN H H 411 8.271 8.271 8.411 -0.140 17783 5012 1 9 . 1 1 90 90 ALA N N 412 118.634 118.634 123.380 -4.746 17783 5013 1 9 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.147 0.118 17783 5014 1 9 . 1 1 90 90 ALA C C 412 177.949 177.949 178.684 -0.735 17783 5015 1 9 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.844 -0.903 17783 5016 1 9 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.423 -0.096 17783 5017 1 9 . 1 1 90 90 ALA H H 412 7.794 7.794 8.702 -0.908 17783 5018 1 9 . 1 1 91 91 LYS N N 413 115.842 115.842 116.007 -0.165 17783 5019 1 9 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.197 0.135 17783 5020 1 9 . 1 1 91 91 LYS C C 413 175.829 175.829 176.272 -0.443 17783 5021 1 9 . 1 1 91 91 LYS CA C 413 55.370 55.370 54.976 0.394 17783 5022 1 9 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.539 -0.055 17783 5023 1 9 . 1 1 91 91 LYS H H 413 7.398 7.398 7.585 -0.187 17783 5024 1 9 . 1 1 92 92 ASN N N 414 113.776 113.776 119.307 -5.531 17783 5025 1 9 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.534 0.002 17783 5026 1 9 . 1 1 92 92 ASN C C 414 171.075 171.075 172.954 -1.879 17783 5027 1 9 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.066 0.997 17783 5028 1 9 . 1 1 92 92 ASN CB C 414 37.081 37.081 37.512 -0.431 17783 5029 1 9 . 1 1 92 92 ASN H H 414 8.178 8.178 7.991 0.187 17783 5030 1 9 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.610 0.392 17783 5031 1 9 . 1 1 93 93 PRO C C 415 175.682 175.682 176.237 -0.555 17783 5032 1 9 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.539 -0.049 17783 5033 1 9 . 1 1 93 93 PRO CB C 415 33.585 33.585 31.407 2.178 17783 5034 1 9 . 1 1 94 94 TRP N N 416 117.925 117.925 125.331 -7.406 17783 5035 1 9 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.751 0.266 17783 5036 1 9 . 1 1 94 94 TRP C C 416 173.607 173.607 175.534 -1.927 17783 5037 1 9 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.748 -0.753 17783 5038 1 9 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.174 2.333 17783 5039 1 9 . 1 1 94 94 TRP H H 416 7.921 7.921 8.076 -0.155 17783 5040 1 9 . 1 1 95 95 ALA N N 417 123.924 123.924 125.829 -1.905 17783 5041 1 9 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.068 0.687 17783 5042 1 9 . 1 1 95 95 ALA C C 417 174.171 174.171 176.041 -1.870 17783 5043 1 9 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.773 -1.136 17783 5044 1 9 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.409 0.059 17783 5045 1 9 . 1 1 95 95 ALA H H 417 8.878 8.878 8.354 0.524 17783 5046 1 9 . 1 1 96 96 LYS N N 418 129.441 129.441 120.856 8.585 17783 5047 1 9 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.067 0.954 17783 5048 1 9 . 1 1 96 96 LYS C C 418 173.451 173.451 173.559 -0.108 17783 5049 1 9 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.269 -0.705 17783 5050 1 9 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.451 3.532 17783 5051 1 9 . 1 1 96 96 LYS H H 418 9.235 9.235 8.221 1.014 17783 5052 1 9 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.160 -0.396 17783 5053 1 9 . 1 1 97 97 PRO C C 419 178.893 178.893 177.707 1.186 17783 5054 1 9 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.804 0.091 17783 5055 1 9 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.166 0.555 17783 5056 1 9 . 1 1 98 98 LEU N N 420 126.746 126.746 124.027 2.719 17783 5057 1 9 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.031 -0.228 17783 5058 1 9 . 1 1 98 98 LEU C C 420 179.040 179.040 178.433 0.607 17783 5059 1 9 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.248 1.120 17783 5060 1 9 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.077 -1.136 17783 5061 1 9 . 1 1 98 98 LEU H H 420 9.179 9.179 8.687 0.492 17783 5062 1 9 . 1 1 99 99 ARG N N 421 118.262 118.262 118.630 -0.368 17783 5063 1 9 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.107 -0.048 17783 5064 1 9 . 1 1 99 99 ARG C C 421 178.140 178.140 177.775 0.365 17783 5065 1 9 . 1 1 99 99 ARG CA C 421 59.093 59.093 59.054 0.039 17783 5066 1 9 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.354 0.602 17783 5067 1 9 . 1 1 99 99 ARG H H 421 8.014 8.014 8.450 -0.436 17783 5068 1 9 . 1 1 100 100 GLN N N 422 116.539 116.539 116.561 -0.022 17783 5069 1 9 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.222 -0.012 17783 5070 1 9 . 1 1 100 100 GLN C C 422 177.594 177.594 178.074 -0.480 17783 5071 1 9 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.800 -0.067 17783 5072 1 9 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.209 -0.031 17783 5073 1 9 . 1 1 100 100 GLN H H 422 7.258 7.258 7.497 -0.239 17783 5074 1 9 . 1 1 101 101 VAL N N 423 119.665 119.665 120.174 -0.509 17783 5075 1 9 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.667 -0.119 17783 5076 1 9 . 1 1 101 101 VAL C C 423 177.040 177.040 178.229 -1.189 17783 5077 1 9 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.753 -0.306 17783 5078 1 9 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.982 1.571 17783 5079 1 9 . 1 1 101 101 VAL H H 423 7.090 7.090 8.248 -1.158 17783 5080 1 9 . 1 1 102 102 GLN N N 424 115.032 115.032 117.743 -2.711 17783 5081 1 9 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.930 -0.365 17783 5082 1 9 . 1 1 102 102 GLN C C 424 177.994 177.994 176.820 1.174 17783 5083 1 9 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.041 0.842 17783 5084 1 9 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.930 -0.870 17783 5085 1 9 . 1 1 102 102 GLN H H 424 8.553 8.553 7.902 0.651 17783 5086 1 9 . 1 1 103 103 ALA N N 425 120.742 120.742 121.972 -1.230 17783 5087 1 9 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.048 0.110 17783 5088 1 9 . 1 1 103 103 ALA C C 425 178.545 178.545 178.917 -0.372 17783 5089 1 9 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.498 -0.223 17783 5090 1 9 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.689 -0.366 17783 5091 1 9 . 1 1 103 103 ALA H H 425 7.366 7.366 7.977 -0.611 17783 5092 1 9 . 1 1 104 104 ASP N N 426 117.066 117.066 118.383 -1.317 17783 5093 1 9 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.449 0.259 17783 5094 1 9 . 1 1 104 104 ASP C C 426 176.876 176.876 176.930 -0.054 17783 5095 1 9 . 1 1 104 104 ASP CA C 426 55.223 55.223 56.768 -1.545 17783 5096 1 9 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.081 1.419 17783 5097 1 9 . 1 1 104 104 ASP H H 426 7.628 7.628 7.914 -0.286 17783 5098 1 9 . 1 1 105 105 LEU N N 427 119.853 119.853 117.413 2.440 17783 5099 1 9 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.576 -0.277 17783 5100 1 9 . 1 1 105 105 LEU C C 427 176.118 176.118 176.331 -0.213 17783 5101 1 9 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.184 0.802 17783 5102 1 9 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.681 -0.604 17783 5103 1 9 . 1 1 105 105 LEU H H 427 7.242 7.242 7.434 -0.192 17783 5104 1 10 . 1 1 2 2 ARG N N 324 121.883 121.883 121.637 0.246 17783 5105 1 10 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.274 0.070 17783 5106 1 10 . 1 1 2 2 ARG C C 324 176.887 176.887 176.498 0.389 17783 5107 1 10 . 1 1 2 2 ARG CA C 324 56.505 56.505 55.748 0.757 17783 5108 1 10 . 1 1 2 2 ARG CB C 324 30.734 30.734 28.362 2.372 17783 5109 1 10 . 1 1 2 2 ARG H H 324 8.373 8.373 8.503 -0.130 17783 5110 1 10 . 1 1 3 3 GLY N N 325 111.231 111.231 111.478 -0.247 17783 5111 1 10 . 1 1 3 3 GLY C C 325 174.037 174.037 174.257 -0.220 17783 5112 1 10 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.134 0.094 17783 5113 1 10 . 1 1 3 3 GLY H H 325 8.683 8.683 8.621 0.062 17783 5114 1 10 . 1 1 4 4 SER N N 326 115.541 115.541 117.530 -1.989 17783 5115 1 10 . 1 1 4 4 SER HA H 326 4.377 4.377 4.086 0.291 17783 5116 1 10 . 1 1 4 4 SER C C 326 174.454 174.454 174.609 -0.155 17783 5117 1 10 . 1 1 4 4 SER CA C 326 58.315 58.315 60.260 -1.944 17783 5118 1 10 . 1 1 4 4 SER CB C 326 63.902 63.902 63.761 0.141 17783 5119 1 10 . 1 1 4 4 SER H H 326 8.237 8.237 8.322 -0.085 17783 5120 1 10 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.015 0.565 17783 5121 1 10 . 1 1 10 10 HIS C C 332 175.292 175.292 175.081 0.211 17783 5122 1 10 . 1 1 10 10 HIS CA C 332 55.946 55.946 55.762 0.184 17783 5123 1 10 . 1 1 10 10 HIS CB C 332 30.123 30.123 27.759 2.364 17783 5124 1 10 . 1 1 11 11 GLY N N 333 110.527 110.527 108.438 2.089 17783 5125 1 10 . 1 1 11 11 GLY C C 333 174.126 174.126 173.232 0.894 17783 5126 1 10 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.448 0.879 17783 5127 1 10 . 1 1 11 11 GLY H H 333 8.540 8.540 8.574 -0.034 17783 5128 1 10 . 1 1 12 12 SER N N 334 115.752 115.752 114.715 1.037 17783 5129 1 10 . 1 1 12 12 SER HA H 334 4.436 4.436 3.747 0.689 17783 5130 1 10 . 1 1 12 12 SER C C 334 174.538 174.538 173.990 0.548 17783 5131 1 10 . 1 1 12 12 SER CA C 334 58.486 58.486 58.279 0.207 17783 5132 1 10 . 1 1 12 12 SER CB C 334 63.927 63.927 62.793 1.134 17783 5133 1 10 . 1 1 12 12 SER H H 334 8.356 8.356 7.423 0.933 17783 5134 1 10 . 1 1 13 13 ASN N N 335 120.410 120.410 123.454 -3.044 17783 5135 1 10 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.298 0.431 17783 5136 1 10 . 1 1 13 13 ASN C C 335 175.116 175.116 173.531 1.585 17783 5137 1 10 . 1 1 13 13 ASN CA C 335 53.386 53.386 54.519 -1.133 17783 5138 1 10 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.133 0.535 17783 5139 1 10 . 1 1 13 13 ASN H H 335 8.575 8.575 8.682 -0.107 17783 5140 1 10 . 1 1 14 14 ASN N N 336 119.094 119.094 120.614 -1.520 17783 5141 1 10 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.766 -0.037 17783 5142 1 10 . 1 1 14 14 ASN C C 336 175.395 175.395 173.740 1.655 17783 5143 1 10 . 1 1 14 14 ASN CA C 336 53.385 53.385 52.954 0.431 17783 5144 1 10 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.731 -0.062 17783 5145 1 10 . 1 1 14 14 ASN H H 336 8.447 8.447 8.482 -0.035 17783 5146 1 10 . 1 1 15 15 ASN N N 337 118.915 118.915 120.412 -1.497 17783 5147 1 10 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.775 -0.241 17783 5148 1 10 . 1 1 15 15 ASN C C 337 176.390 176.390 175.283 1.107 17783 5149 1 10 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.748 0.243 17783 5150 1 10 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.601 -0.980 17783 5151 1 10 . 1 1 15 15 ASN H H 337 8.446 8.446 7.883 0.563 17783 5152 1 10 . 1 1 16 16 GLY N N 338 108.851 108.851 110.946 -2.095 17783 5153 1 10 . 1 1 16 16 GLY C C 338 175.459 175.459 175.096 0.363 17783 5154 1 10 . 1 1 16 16 GLY CA C 338 46.752 46.752 46.111 0.640 17783 5155 1 10 . 1 1 16 16 GLY H H 338 8.454 8.454 8.270 0.184 17783 5156 1 10 . 1 1 17 17 SER N N 339 116.218 116.218 118.437 -2.219 17783 5157 1 10 . 1 1 17 17 SER HA H 339 4.229 4.229 4.261 -0.032 17783 5158 1 10 . 1 1 17 17 SER C C 339 175.869 175.869 175.937 -0.068 17783 5159 1 10 . 1 1 17 17 SER CA C 339 59.759 59.759 58.255 1.504 17783 5160 1 10 . 1 1 17 17 SER CB C 339 62.973 62.973 63.089 -0.116 17783 5161 1 10 . 1 1 17 17 SER H H 339 8.170 8.170 8.505 -0.335 17783 5162 1 10 . 1 1 18 18 LEU N N 340 121.515 121.515 121.109 0.406 17783 5163 1 10 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.042 -0.040 17783 5164 1 10 . 1 1 18 18 LEU C C 340 178.399 178.399 178.620 -0.221 17783 5165 1 10 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.608 -0.457 17783 5166 1 10 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.958 0.118 17783 5167 1 10 . 1 1 18 18 LEU H H 340 7.790 7.790 8.197 -0.407 17783 5168 1 10 . 1 1 19 19 LYS N N 341 117.145 117.145 117.856 -0.711 17783 5169 1 10 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.104 -0.296 17783 5170 1 10 . 1 1 19 19 LYS C C 341 176.960 176.960 177.393 -0.433 17783 5171 1 10 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.660 0.532 17783 5172 1 10 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.304 0.489 17783 5173 1 10 . 1 1 19 19 LYS H H 341 7.893 7.893 7.408 0.485 17783 5174 1 10 . 1 1 20 20 SER N N 342 110.377 110.377 113.731 -3.354 17783 5175 1 10 . 1 1 20 20 SER HA H 342 4.369 4.369 4.298 0.071 17783 5176 1 10 . 1 1 20 20 SER C C 342 173.735 173.735 173.790 -0.055 17783 5177 1 10 . 1 1 20 20 SER CA C 342 58.141 58.141 59.403 -1.262 17783 5178 1 10 . 1 1 20 20 SER CB C 342 63.900 63.900 62.787 1.113 17783 5179 1 10 . 1 1 20 20 SER H H 342 7.546 7.546 7.529 0.017 17783 5180 1 10 . 1 1 21 21 ALA N N 343 125.662 125.662 123.730 1.932 17783 5181 1 10 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.616 -0.254 17783 5182 1 10 . 1 1 21 21 ALA C C 343 174.051 174.051 175.002 -0.951 17783 5183 1 10 . 1 1 21 21 ALA CA C 343 50.572 50.572 48.977 1.595 17783 5184 1 10 . 1 1 21 21 ALA CB C 343 18.134 18.134 19.119 -0.985 17783 5185 1 10 . 1 1 21 21 ALA H H 343 6.852 6.852 7.141 -0.289 17783 5186 1 10 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.237 0.001 17783 5187 1 10 . 1 1 22 22 PRO C C 344 178.184 178.184 175.513 2.671 17783 5188 1 10 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.655 0.427 17783 5189 1 10 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.284 1.320 17783 5190 1 10 . 1 1 23 23 SER N N 345 118.662 118.662 119.293 -0.631 17783 5191 1 10 . 1 1 23 23 SER HA H 345 3.825 3.825 4.284 -0.459 17783 5192 1 10 . 1 1 23 23 SER C C 345 174.231 174.231 176.072 -1.841 17783 5193 1 10 . 1 1 23 23 SER CA C 345 60.892 60.892 59.567 1.325 17783 5194 1 10 . 1 1 23 23 SER CB C 345 63.223 63.223 63.193 0.030 17783 5195 1 10 . 1 1 23 23 SER H H 345 8.566 8.566 8.047 0.519 17783 5196 1 10 . 1 1 24 24 SER N N 346 111.938 111.938 117.493 -5.555 17783 5197 1 10 . 1 1 24 24 SER HA H 346 4.383 4.383 4.183 0.200 17783 5198 1 10 . 1 1 24 24 SER C C 346 175.152 175.152 174.825 0.327 17783 5199 1 10 . 1 1 24 24 SER CA C 346 58.247 58.247 60.582 -2.335 17783 5200 1 10 . 1 1 24 24 SER CB C 346 63.958 63.958 63.272 0.686 17783 5201 1 10 . 1 1 24 24 SER H H 346 7.675 7.675 8.522 -0.847 17783 5202 1 10 . 1 1 25 25 HIS N N 347 122.882 122.882 116.943 5.939 17783 5203 1 10 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.402 0.448 17783 5204 1 10 . 1 1 25 25 HIS C C 347 173.574 173.574 175.631 -2.057 17783 5205 1 10 . 1 1 25 25 HIS CA C 347 56.075 56.075 57.518 -1.443 17783 5206 1 10 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.491 1.357 17783 5207 1 10 . 1 1 25 25 HIS H H 347 7.628 7.628 7.663 -0.035 17783 5208 1 10 . 1 1 26 26 TYR N N 348 117.921 117.921 114.420 3.501 17783 5209 1 10 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.690 0.299 17783 5210 1 10 . 1 1 26 26 TYR C C 348 174.086 174.086 173.916 0.170 17783 5211 1 10 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.180 0.007 17783 5212 1 10 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.501 1.333 17783 5213 1 10 . 1 1 26 26 TYR H H 348 9.606 9.606 8.287 1.319 17783 5214 1 10 . 1 1 27 27 THR N N 349 115.914 115.914 116.123 -0.209 17783 5215 1 10 . 1 1 27 27 THR HA H 349 5.027 5.027 4.844 0.183 17783 5216 1 10 . 1 1 27 27 THR C C 349 172.904 172.904 172.495 0.409 17783 5217 1 10 . 1 1 27 27 THR CA C 349 58.835 58.835 60.663 -1.829 17783 5218 1 10 . 1 1 27 27 THR CB C 349 70.587 70.587 70.789 -0.202 17783 5219 1 10 . 1 1 27 27 THR H H 349 8.974 8.974 8.584 0.390 17783 5220 1 10 . 1 1 28 28 LEU N N 350 123.392 123.392 122.908 0.484 17783 5221 1 10 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.550 0.439 17783 5222 1 10 . 1 1 28 28 LEU C C 350 176.111 176.111 175.169 0.942 17783 5223 1 10 . 1 1 28 28 LEU CA C 350 53.098 53.098 53.521 -0.423 17783 5224 1 10 . 1 1 28 28 LEU CB C 350 44.870 44.870 45.237 -0.367 17783 5225 1 10 . 1 1 28 28 LEU H H 350 8.249 8.249 8.419 -0.170 17783 5226 1 10 . 1 1 29 29 GLN N N 351 122.797 122.797 121.579 1.218 17783 5227 1 10 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.623 -0.070 17783 5228 1 10 . 1 1 29 29 GLN C C 351 175.435 175.435 175.428 0.007 17783 5229 1 10 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.962 0.981 17783 5230 1 10 . 1 1 29 29 GLN CB C 351 27.231 27.231 29.897 -2.666 17783 5231 1 10 . 1 1 29 29 GLN H H 351 8.915 8.915 8.641 0.274 17783 5232 1 10 . 1 1 30 30 LEU N N 352 125.239 125.239 120.683 4.556 17783 5233 1 10 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.915 -0.548 17783 5234 1 10 . 1 1 30 30 LEU C C 352 177.250 177.250 176.145 1.105 17783 5235 1 10 . 1 1 30 30 LEU CA C 352 56.101 56.101 54.312 1.789 17783 5236 1 10 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.220 -0.120 17783 5237 1 10 . 1 1 30 30 LEU H H 352 8.920 8.920 8.616 0.304 17783 5238 1 10 . 1 1 31 31 SER N N 353 106.816 106.816 115.845 -9.029 17783 5239 1 10 . 1 1 31 31 SER HA H 353 4.493 4.493 4.747 -0.254 17783 5240 1 10 . 1 1 31 31 SER C C 353 171.831 171.831 173.537 -1.706 17783 5241 1 10 . 1 1 31 31 SER CA C 353 57.160 57.160 58.053 -0.894 17783 5242 1 10 . 1 1 31 31 SER CB C 353 64.360 64.360 64.478 -0.117 17783 5243 1 10 . 1 1 31 31 SER H H 353 7.548 7.548 8.197 -0.649 17783 5244 1 10 . 1 1 32 32 SER N N 354 113.518 113.518 119.620 -6.102 17783 5245 1 10 . 1 1 32 32 SER HA H 354 5.026 5.026 4.773 0.253 17783 5246 1 10 . 1 1 32 32 SER C C 354 172.512 172.512 171.346 1.166 17783 5247 1 10 . 1 1 32 32 SER CA C 354 57.285 57.285 56.689 0.596 17783 5248 1 10 . 1 1 32 32 SER CB C 354 65.347 65.347 64.984 0.364 17783 5249 1 10 . 1 1 32 32 SER H H 354 8.127 8.127 8.407 -0.280 17783 5250 1 10 . 1 1 33 33 SER N N 355 114.624 114.624 115.937 -1.313 17783 5251 1 10 . 1 1 33 33 SER HA H 355 4.106 4.106 3.983 0.123 17783 5252 1 10 . 1 1 33 33 SER C C 355 171.639 171.639 171.745 -0.106 17783 5253 1 10 . 1 1 33 33 SER CA C 355 57.276 57.276 57.777 -0.501 17783 5254 1 10 . 1 1 33 33 SER CB C 355 64.539 64.539 64.646 -0.107 17783 5255 1 10 . 1 1 33 33 SER H H 355 8.616 8.616 6.297 2.319 17783 5256 1 10 . 1 1 34 34 SER N N 356 116.467 116.467 114.065 2.402 17783 5257 1 10 . 1 1 34 34 SER HA H 356 4.241 4.241 4.951 -0.710 17783 5258 1 10 . 1 1 34 34 SER C C 356 173.820 173.820 172.657 1.163 17783 5259 1 10 . 1 1 34 34 SER CA C 356 59.074 59.074 57.593 1.481 17783 5260 1 10 . 1 1 34 34 SER CB C 356 63.741 63.741 63.379 0.362 17783 5261 1 10 . 1 1 34 34 SER H H 356 8.132 8.132 8.196 -0.064 17783 5262 1 10 . 1 1 35 35 ASN N N 357 122.206 122.206 117.523 4.683 17783 5263 1 10 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.143 -0.222 17783 5264 1 10 . 1 1 35 35 ASN C C 357 172.965 172.965 173.760 -0.795 17783 5265 1 10 . 1 1 35 35 ASN CA C 357 52.447 52.447 52.575 -0.128 17783 5266 1 10 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.052 0.873 17783 5267 1 10 . 1 1 35 35 ASN H H 357 8.511 8.511 8.284 0.227 17783 5268 1 10 . 1 1 36 36 TYR N N 358 127.519 127.519 124.469 3.050 17783 5269 1 10 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.108 -1.136 17783 5270 1 10 . 1 1 36 36 TYR C C 358 176.522 176.522 176.562 -0.040 17783 5271 1 10 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.558 0.411 17783 5272 1 10 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.250 -0.539 17783 5273 1 10 . 1 1 36 36 TYR H H 358 8.002 8.002 8.855 -0.853 17783 5274 1 10 . 1 1 37 37 ASP N N 359 118.658 118.658 118.343 0.315 17783 5275 1 10 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.463 -0.319 17783 5276 1 10 . 1 1 37 37 ASP C C 359 179.804 179.804 177.764 2.040 17783 5277 1 10 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.440 0.063 17783 5278 1 10 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.156 0.022 17783 5279 1 10 . 1 1 37 37 ASP H H 359 8.033 8.033 9.014 -0.981 17783 5280 1 10 . 1 1 38 38 ASN N N 360 119.802 119.802 116.016 3.786 17783 5281 1 10 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.697 -0.394 17783 5282 1 10 . 1 1 38 38 ASN C C 360 177.720 177.720 176.823 0.897 17783 5283 1 10 . 1 1 38 38 ASN CA C 360 55.450 55.450 54.123 1.327 17783 5284 1 10 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.301 -0.538 17783 5285 1 10 . 1 1 38 38 ASN H H 360 8.380 8.380 8.515 -0.135 17783 5286 1 10 . 1 1 39 39 LEU N N 361 121.625 121.625 122.416 -0.791 17783 5287 1 10 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.124 -0.027 17783 5288 1 10 . 1 1 39 39 LEU C C 361 177.738 177.738 177.779 -0.041 17783 5289 1 10 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.673 -1.108 17783 5290 1 10 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.810 0.918 17783 5291 1 10 . 1 1 39 39 LEU H H 361 7.243 7.243 8.303 -1.060 17783 5292 1 10 . 1 1 40 40 ASN N N 362 116.601 116.601 116.446 0.155 17783 5293 1 10 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.288 -0.143 17783 5294 1 10 . 1 1 40 40 ASN C C 362 177.253 177.253 177.437 -0.184 17783 5295 1 10 . 1 1 40 40 ASN CA C 362 56.527 56.527 55.912 0.615 17783 5296 1 10 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.572 1.754 17783 5297 1 10 . 1 1 40 40 ASN H H 362 8.284 8.284 7.752 0.532 17783 5298 1 10 . 1 1 41 41 GLY N N 363 104.958 104.958 105.653 -0.695 17783 5299 1 10 . 1 1 41 41 GLY C C 363 176.323 176.323 174.196 2.127 17783 5300 1 10 . 1 1 41 41 GLY CA C 363 46.839 46.839 45.490 1.349 17783 5301 1 10 . 1 1 41 41 GLY H H 363 8.334 8.334 7.883 0.451 17783 5302 1 10 . 1 1 42 42 TRP N N 364 125.066 125.066 121.575 3.491 17783 5303 1 10 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.757 -0.531 17783 5304 1 10 . 1 1 42 42 TRP C C 364 176.509 176.509 176.635 -0.126 17783 5305 1 10 . 1 1 42 42 TRP CA C 364 61.489 61.489 58.769 2.720 17783 5306 1 10 . 1 1 42 42 TRP CB C 364 27.876 27.876 31.012 -3.135 17783 5307 1 10 . 1 1 42 42 TRP H H 364 7.833 7.833 7.859 -0.026 17783 5308 1 10 . 1 1 43 43 ALA N N 365 120.030 120.030 123.341 -3.311 17783 5309 1 10 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.427 -0.433 17783 5310 1 10 . 1 1 43 43 ALA C C 365 179.186 179.186 178.971 0.215 17783 5311 1 10 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.090 -0.089 17783 5312 1 10 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.828 -0.741 17783 5313 1 10 . 1 1 43 43 ALA H H 365 7.701 7.701 8.696 -0.995 17783 5314 1 10 . 1 1 44 44 LYS N N 366 115.064 115.064 118.409 -3.345 17783 5315 1 10 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.787 0.246 17783 5316 1 10 . 1 1 44 44 LYS C C 366 180.830 180.830 179.168 1.662 17783 5317 1 10 . 1 1 44 44 LYS CA C 366 58.991 58.991 59.252 -0.261 17783 5318 1 10 . 1 1 44 44 LYS CB C 366 32.350 32.350 31.744 0.606 17783 5319 1 10 . 1 1 44 44 LYS H H 366 7.562 7.562 8.260 -0.698 17783 5320 1 10 . 1 1 45 45 LYS N N 367 123.180 123.180 119.675 3.505 17783 5321 1 10 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.047 -0.140 17783 5322 1 10 . 1 1 45 45 LYS C C 367 178.319 178.319 178.535 -0.216 17783 5323 1 10 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.641 0.403 17783 5324 1 10 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.320 -0.254 17783 5325 1 10 . 1 1 45 45 LYS H H 367 8.067 8.067 7.502 0.565 17783 5326 1 10 . 1 1 46 46 GLU N N 368 114.882 114.882 115.630 -0.748 17783 5327 1 10 . 1 1 46 46 GLU HA H 368 3.917 3.917 3.943 -0.026 17783 5328 1 10 . 1 1 46 46 GLU C C 368 174.639 174.639 176.112 -1.473 17783 5329 1 10 . 1 1 46 46 GLU CA C 368 55.016 55.016 57.785 -2.769 17783 5330 1 10 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.539 -1.862 17783 5331 1 10 . 1 1 46 46 GLU H H 368 7.488 7.488 7.902 -0.414 17783 5332 1 10 . 1 1 47 47 ASN N N 369 114.944 114.944 115.540 -0.596 17783 5333 1 10 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.354 -0.082 17783 5334 1 10 . 1 1 47 47 ASN C C 369 174.759 174.759 174.171 0.588 17783 5335 1 10 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.741 -0.037 17783 5336 1 10 . 1 1 47 47 ASN CB C 369 37.059 37.059 37.072 -0.013 17783 5337 1 10 . 1 1 47 47 ASN H H 369 7.772 7.772 7.813 -0.041 17783 5338 1 10 . 1 1 48 48 LEU N N 370 116.008 116.008 119.189 -3.181 17783 5339 1 10 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.986 0.134 17783 5340 1 10 . 1 1 48 48 LEU C C 370 177.056 177.056 176.357 0.699 17783 5341 1 10 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.722 -0.605 17783 5342 1 10 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.210 0.707 17783 5343 1 10 . 1 1 48 48 LEU H H 370 7.463 7.463 7.150 0.313 17783 5344 1 10 . 1 1 49 49 LYS N N 371 120.012 120.012 122.231 -2.219 17783 5345 1 10 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.520 0.040 17783 5346 1 10 . 1 1 49 49 LYS C C 371 176.481 176.481 176.614 -0.133 17783 5347 1 10 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.466 -0.137 17783 5348 1 10 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.434 1.121 17783 5349 1 10 . 1 1 49 49 LYS H H 371 8.518 8.518 8.157 0.361 17783 5350 1 10 . 1 1 50 50 ASN N N 372 117.610 117.610 119.692 -2.082 17783 5351 1 10 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.350 0.164 17783 5352 1 10 . 1 1 50 50 ASN C C 372 173.445 173.445 173.443 0.002 17783 5353 1 10 . 1 1 50 50 ASN CA C 372 53.437 53.437 53.543 -0.106 17783 5354 1 10 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.569 -0.637 17783 5355 1 10 . 1 1 50 50 ASN H H 372 8.734 8.734 8.827 -0.093 17783 5356 1 10 . 1 1 51 51 TYR N N 373 117.151 117.151 116.729 0.422 17783 5357 1 10 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.579 -0.184 17783 5358 1 10 . 1 1 51 51 TYR C C 373 173.549 173.549 174.003 -0.454 17783 5359 1 10 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.809 -0.027 17783 5360 1 10 . 1 1 51 51 TYR CB C 373 40.411 40.411 41.084 -0.673 17783 5361 1 10 . 1 1 51 51 TYR H H 373 7.570 7.570 7.533 0.037 17783 5362 1 10 . 1 1 52 52 VAL N N 374 120.887 120.887 123.394 -2.507 17783 5363 1 10 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.302 -0.004 17783 5364 1 10 . 1 1 52 52 VAL C C 374 174.289 174.289 174.949 -0.660 17783 5365 1 10 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.994 -0.280 17783 5366 1 10 . 1 1 52 52 VAL CB C 374 36.584 36.584 33.965 2.619 17783 5367 1 10 . 1 1 52 52 VAL H H 374 9.140 9.140 8.689 0.451 17783 5368 1 10 . 1 1 53 53 VAL N N 375 126.060 126.060 128.842 -2.782 17783 5369 1 10 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.234 1.181 17783 5370 1 10 . 1 1 53 53 VAL C C 375 175.803 175.803 176.183 -0.380 17783 5371 1 10 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.729 -2.073 17783 5372 1 10 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.782 0.954 17783 5373 1 10 . 1 1 53 53 VAL H H 375 8.600 8.600 8.624 -0.024 17783 5374 1 10 . 1 1 54 54 TYR N N 376 125.706 125.706 125.952 -0.246 17783 5375 1 10 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.102 0.320 17783 5376 1 10 . 1 1 54 54 TYR C C 376 172.139 172.139 173.736 -1.597 17783 5377 1 10 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.423 -0.294 17783 5378 1 10 . 1 1 54 54 TYR CB C 376 41.657 41.657 41.020 0.637 17783 5379 1 10 . 1 1 54 54 TYR H H 376 9.292 9.292 8.308 0.984 17783 5380 1 10 . 1 1 55 55 GLU N N 377 122.063 122.063 120.352 1.711 17783 5381 1 10 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.841 0.873 17783 5382 1 10 . 1 1 55 55 GLU C C 377 175.011 175.011 175.563 -0.552 17783 5383 1 10 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.729 -0.586 17783 5384 1 10 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.565 2.094 17783 5385 1 10 . 1 1 55 55 GLU H H 377 8.758 8.758 8.694 0.064 17783 5386 1 10 . 1 1 56 56 THR N N 378 122.855 122.855 114.505 8.350 17783 5387 1 10 . 1 1 56 56 THR HA H 378 4.848 4.848 4.539 0.309 17783 5388 1 10 . 1 1 56 56 THR C C 378 173.550 173.550 172.606 0.944 17783 5389 1 10 . 1 1 56 56 THR CA C 378 58.732 58.732 60.933 -2.201 17783 5390 1 10 . 1 1 56 56 THR CB C 378 70.181 70.181 69.908 0.273 17783 5391 1 10 . 1 1 56 56 THR H H 378 9.160 9.160 7.792 1.368 17783 5392 1 10 . 1 1 57 57 THR N N 379 116.629 116.629 113.114 3.515 17783 5393 1 10 . 1 1 57 57 THR HA H 379 5.145 5.145 4.791 0.354 17783 5394 1 10 . 1 1 57 57 THR C C 379 173.973 173.973 172.864 1.109 17783 5395 1 10 . 1 1 57 57 THR CA C 379 60.517 60.517 60.462 0.055 17783 5396 1 10 . 1 1 57 57 THR CB C 379 71.582 71.582 70.697 0.885 17783 5397 1 10 . 1 1 57 57 THR H H 379 8.677 8.677 8.127 0.550 17783 5398 1 10 . 1 1 58 58 ARG N N 380 124.546 124.546 122.818 1.728 17783 5399 1 10 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.470 -0.162 17783 5400 1 10 . 1 1 58 58 ARG C C 380 176.074 176.074 174.733 1.341 17783 5401 1 10 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.846 -1.336 17783 5402 1 10 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.029 1.444 17783 5403 1 10 . 1 1 58 58 ARG H H 380 9.117 9.117 8.575 0.542 17783 5404 1 10 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.496 -0.190 17783 5405 1 10 . 1 1 59 59 ASN C C 381 175.444 175.444 175.139 0.305 17783 5406 1 10 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.329 0.908 17783 5407 1 10 . 1 1 59 59 ASN CB C 381 37.213 37.213 38.091 -0.878 17783 5408 1 10 . 1 1 60 60 GLY N N 382 103.015 103.015 106.967 -3.952 17783 5409 1 10 . 1 1 60 60 GLY C C 382 173.488 173.488 173.696 -0.208 17783 5410 1 10 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.193 -0.720 17783 5411 1 10 . 1 1 60 60 GLY H H 382 8.639 8.639 8.668 -0.029 17783 5412 1 10 . 1 1 61 61 GLN N N 383 119.903 119.903 118.509 1.394 17783 5413 1 10 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.519 0.481 17783 5414 1 10 . 1 1 61 61 GLN C C 383 172.730 172.730 173.308 -0.578 17783 5415 1 10 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.537 0.154 17783 5416 1 10 . 1 1 61 61 GLN CB C 383 30.711 30.711 29.874 0.837 17783 5417 1 10 . 1 1 61 61 GLN H H 383 7.697 7.697 7.867 -0.170 17783 5418 1 10 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.362 0.252 17783 5419 1 10 . 1 1 62 62 PRO C C 384 175.576 175.576 175.250 0.326 17783 5420 1 10 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.080 0.922 17783 5421 1 10 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.943 0.602 17783 5422 1 10 . 1 1 63 63 TRP N N 385 126.621 126.621 125.747 0.874 17783 5423 1 10 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.703 -0.192 17783 5424 1 10 . 1 1 63 63 TRP C C 385 172.096 172.096 172.881 -0.785 17783 5425 1 10 . 1 1 63 63 TRP CA C 385 56.082 56.082 56.045 0.037 17783 5426 1 10 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.492 0.682 17783 5427 1 10 . 1 1 63 63 TRP H H 385 8.063 8.063 7.954 0.109 17783 5428 1 10 . 1 1 64 64 TYR N N 386 124.129 124.129 121.195 2.934 17783 5429 1 10 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.394 0.824 17783 5430 1 10 . 1 1 64 64 TYR C C 386 173.544 173.544 173.902 -0.358 17783 5431 1 10 . 1 1 64 64 TYR CA C 386 56.769 56.769 55.926 0.843 17783 5432 1 10 . 1 1 64 64 TYR CB C 386 40.433 40.433 38.136 2.297 17783 5433 1 10 . 1 1 64 64 TYR H H 386 7.954 7.954 7.436 0.518 17783 5434 1 10 . 1 1 65 65 VAL N N 387 121.167 121.167 121.898 -0.731 17783 5435 1 10 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.035 -0.172 17783 5436 1 10 . 1 1 65 65 VAL C C 387 172.675 172.675 174.960 -2.285 17783 5437 1 10 . 1 1 65 65 VAL CA C 387 61.257 61.257 61.240 0.017 17783 5438 1 10 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.278 0.855 17783 5439 1 10 . 1 1 65 65 VAL H H 387 8.409 8.409 7.662 0.747 17783 5440 1 10 . 1 1 66 66 LEU N N 388 127.479 127.479 123.159 4.320 17783 5441 1 10 . 1 1 66 66 LEU HA H 388 5.423 5.423 5.069 0.354 17783 5442 1 10 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.920 -0.424 17783 5443 1 10 . 1 1 66 66 LEU CB C 388 44.755 44.755 45.593 -0.838 17783 5444 1 10 . 1 1 66 66 LEU H H 388 8.200 8.200 8.491 -0.291 17783 5445 1 10 . 1 1 67 67 VAL N N 389 120.778 120.778 113.675 7.103 17783 5446 1 10 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.655 1.185 17783 5447 1 10 . 1 1 67 67 VAL C C 389 174.934 174.934 174.621 0.313 17783 5448 1 10 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.276 -2.449 17783 5449 1 10 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.521 -0.828 17783 5450 1 10 . 1 1 67 67 VAL H H 389 9.314 9.314 8.150 1.164 17783 5451 1 10 . 1 1 68 68 SER N N 390 113.588 113.588 120.954 -7.366 17783 5452 1 10 . 1 1 68 68 SER HA H 390 4.850 4.850 4.769 0.081 17783 5453 1 10 . 1 1 68 68 SER C C 390 174.691 174.691 175.752 -1.061 17783 5454 1 10 . 1 1 68 68 SER CA C 390 58.213 58.213 57.548 0.665 17783 5455 1 10 . 1 1 68 68 SER CB C 390 66.007 66.007 62.888 3.119 17783 5456 1 10 . 1 1 68 68 SER H H 390 8.803 8.803 8.818 -0.015 17783 5457 1 10 . 1 1 69 69 GLY N N 391 115.161 115.161 117.083 -1.922 17783 5458 1 10 . 1 1 69 69 GLY C C 391 172.208 172.208 172.727 -0.519 17783 5459 1 10 . 1 1 69 69 GLY CA C 391 44.325 44.325 46.030 -1.705 17783 5460 1 10 . 1 1 69 69 GLY H H 391 8.436 8.436 8.090 0.346 17783 5461 1 10 . 1 1 70 70 VAL N N 392 117.033 117.033 120.160 -3.127 17783 5462 1 10 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.290 0.190 17783 5463 1 10 . 1 1 70 70 VAL C C 392 174.635 174.635 173.988 0.647 17783 5464 1 10 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.059 1.144 17783 5465 1 10 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.582 -0.345 17783 5466 1 10 . 1 1 70 70 VAL H H 392 7.188 7.188 7.702 -0.514 17783 5467 1 10 . 1 1 71 71 TYR N N 393 124.867 124.867 126.042 -1.175 17783 5468 1 10 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.889 -0.088 17783 5469 1 10 . 1 1 71 71 TYR C C 393 175.550 175.550 175.784 -0.234 17783 5470 1 10 . 1 1 71 71 TYR CA C 393 56.285 56.285 56.946 -0.661 17783 5471 1 10 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.905 2.638 17783 5472 1 10 . 1 1 71 71 TYR H H 393 9.517 9.517 8.067 1.450 17783 5473 1 10 . 1 1 72 72 ALA N N 394 124.217 124.217 127.035 -2.818 17783 5474 1 10 . 1 1 72 72 ALA HA H 394 2.771 2.771 4.030 -1.259 17783 5475 1 10 . 1 1 72 72 ALA C C 394 175.911 175.911 177.358 -1.447 17783 5476 1 10 . 1 1 72 72 ALA CA C 394 53.257 53.257 53.844 -0.587 17783 5477 1 10 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.330 -0.309 17783 5478 1 10 . 1 1 72 72 ALA H H 394 8.984 8.984 8.571 0.413 17783 5479 1 10 . 1 1 73 73 SER N N 395 106.325 106.325 111.208 -4.883 17783 5480 1 10 . 1 1 73 73 SER HA H 395 4.769 4.769 4.787 -0.018 17783 5481 1 10 . 1 1 73 73 SER C C 395 173.686 173.686 174.006 -0.320 17783 5482 1 10 . 1 1 73 73 SER CA C 395 56.031 56.031 57.519 -1.488 17783 5483 1 10 . 1 1 73 73 SER CB C 395 66.773 66.773 65.935 0.838 17783 5484 1 10 . 1 1 73 73 SER H H 395 7.251 7.251 7.642 -0.391 17783 5485 1 10 . 1 1 74 74 LYS N N 396 123.531 123.531 122.852 0.679 17783 5486 1 10 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.755 -0.861 17783 5487 1 10 . 1 1 74 74 LYS C C 396 178.040 178.040 177.491 0.549 17783 5488 1 10 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.618 0.925 17783 5489 1 10 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.796 -0.160 17783 5490 1 10 . 1 1 74 74 LYS H H 396 8.742 8.742 8.697 0.045 17783 5491 1 10 . 1 1 75 75 GLU N N 397 118.740 118.740 119.003 -0.263 17783 5492 1 10 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.990 -0.176 17783 5493 1 10 . 1 1 75 75 GLU C C 397 179.136 179.136 178.601 0.535 17783 5494 1 10 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.206 0.871 17783 5495 1 10 . 1 1 75 75 GLU CB C 397 28.748 28.748 28.709 0.038 17783 5496 1 10 . 1 1 75 75 GLU H H 397 8.529 8.529 8.498 0.031 17783 5497 1 10 . 1 1 76 76 GLU N N 398 119.987 119.987 119.143 0.844 17783 5498 1 10 . 1 1 76 76 GLU HA H 398 3.835 3.835 3.992 -0.157 17783 5499 1 10 . 1 1 76 76 GLU C C 398 178.564 178.564 177.261 1.303 17783 5500 1 10 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.664 0.698 17783 5501 1 10 . 1 1 76 76 GLU CB C 398 30.431 30.431 28.620 1.810 17783 5502 1 10 . 1 1 76 76 GLU H H 398 7.804 7.804 8.639 -0.835 17783 5503 1 10 . 1 1 77 77 ALA N N 399 122.630 122.630 120.229 2.401 17783 5504 1 10 . 1 1 77 77 ALA HA H 399 2.588 2.588 2.802 -0.214 17783 5505 1 10 . 1 1 77 77 ALA C C 399 177.764 177.764 178.487 -0.723 17783 5506 1 10 . 1 1 77 77 ALA CA C 399 54.361 54.361 53.496 0.865 17783 5507 1 10 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.278 -0.613 17783 5508 1 10 . 1 1 77 77 ALA H H 399 7.294 7.294 7.247 0.047 17783 5509 1 10 . 1 1 78 78 LYS N N 400 115.403 115.403 118.924 -3.521 17783 5510 1 10 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.939 -0.169 17783 5511 1 10 . 1 1 78 78 LYS C C 400 180.700 180.700 178.783 1.917 17783 5512 1 10 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.126 0.416 17783 5513 1 10 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.308 -0.475 17783 5514 1 10 . 1 1 78 78 LYS H H 400 8.001 8.001 8.046 -0.045 17783 5515 1 10 . 1 1 79 79 LYS N N 401 119.756 119.756 118.278 1.478 17783 5516 1 10 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.058 -0.089 17783 5517 1 10 . 1 1 79 79 LYS C C 401 178.347 178.347 177.962 0.385 17783 5518 1 10 . 1 1 79 79 LYS CA C 401 58.976 58.976 57.999 0.977 17783 5519 1 10 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.737 0.561 17783 5520 1 10 . 1 1 79 79 LYS H H 401 7.788 7.788 7.660 0.128 17783 5521 1 10 . 1 1 80 80 ALA N N 402 120.725 120.725 123.013 -2.288 17783 5522 1 10 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.048 0.095 17783 5523 1 10 . 1 1 80 80 ALA C C 402 180.118 180.118 179.145 0.973 17783 5524 1 10 . 1 1 80 80 ALA CA C 402 53.772 53.772 55.068 -1.296 17783 5525 1 10 . 1 1 80 80 ALA CB C 402 18.469 18.469 18.196 0.273 17783 5526 1 10 . 1 1 80 80 ALA H H 402 7.334 7.334 7.025 0.309 17783 5527 1 10 . 1 1 81 81 VAL N N 403 120.431 120.431 117.434 2.997 17783 5528 1 10 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.642 -0.280 17783 5529 1 10 . 1 1 81 81 VAL C C 403 177.205 177.205 177.297 -0.092 17783 5530 1 10 . 1 1 81 81 VAL CA C 403 66.728 66.728 66.037 0.691 17783 5531 1 10 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.766 -0.033 17783 5532 1 10 . 1 1 81 81 VAL H H 403 7.480 7.480 7.508 -0.028 17783 5533 1 10 . 1 1 82 82 SER N N 404 110.126 110.126 112.743 -2.617 17783 5534 1 10 . 1 1 82 82 SER HA H 404 4.143 4.143 4.180 -0.037 17783 5535 1 10 . 1 1 82 82 SER C C 404 174.813 174.813 175.824 -1.011 17783 5536 1 10 . 1 1 82 82 SER CA C 404 60.751 60.751 60.953 -0.202 17783 5537 1 10 . 1 1 82 82 SER CB C 404 63.287 63.287 63.281 0.006 17783 5538 1 10 . 1 1 82 82 SER H H 404 7.326 7.326 8.442 -1.116 17783 5539 1 10 . 1 1 83 83 THR N N 405 110.438 110.438 114.869 -4.431 17783 5540 1 10 . 1 1 83 83 THR HA H 405 4.461 4.461 4.101 0.360 17783 5541 1 10 . 1 1 83 83 THR C C 405 175.081 175.081 175.837 -0.756 17783 5542 1 10 . 1 1 83 83 THR CA C 405 61.761 61.761 64.107 -2.346 17783 5543 1 10 . 1 1 83 83 THR CB C 405 69.795 69.795 69.094 0.702 17783 5544 1 10 . 1 1 83 83 THR H H 405 7.634 7.634 7.497 0.137 17783 5545 1 10 . 1 1 84 84 LEU N N 406 123.244 123.244 122.409 0.835 17783 5546 1 10 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.208 0.432 17783 5547 1 10 . 1 1 84 84 LEU C C 406 174.599 174.599 176.000 -1.401 17783 5548 1 10 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.249 -0.954 17783 5549 1 10 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.016 -0.307 17783 5550 1 10 . 1 1 84 84 LEU H H 406 7.478 7.478 7.518 -0.040 17783 5551 1 10 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.520 -0.027 17783 5552 1 10 . 1 1 85 85 PRO C C 407 177.743 177.743 177.265 0.478 17783 5553 1 10 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.273 0.871 17783 5554 1 10 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.442 0.479 17783 5555 1 10 . 1 1 86 86 ALA N N 408 128.809 128.809 122.401 6.408 17783 5556 1 10 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.056 -0.110 17783 5557 1 10 . 1 1 86 86 ALA C C 408 180.517 180.517 179.260 1.257 17783 5558 1 10 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.706 0.799 17783 5559 1 10 . 1 1 86 86 ALA CB C 408 18.345 18.345 17.991 0.354 17783 5560 1 10 . 1 1 86 86 ALA H H 408 9.168 9.168 8.619 0.549 17783 5561 1 10 . 1 1 87 87 ASP N N 409 116.520 116.520 118.995 -2.475 17783 5562 1 10 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.416 0.046 17783 5563 1 10 . 1 1 87 87 ASP C C 409 178.081 178.081 178.310 -0.229 17783 5564 1 10 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.209 -0.274 17783 5565 1 10 . 1 1 87 87 ASP CB C 409 40.359 40.359 39.770 0.589 17783 5566 1 10 . 1 1 87 87 ASP H H 409 9.359 9.359 8.703 0.656 17783 5567 1 10 . 1 1 88 88 VAL N N 410 117.452 117.452 118.192 -0.740 17783 5568 1 10 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.030 0.059 17783 5569 1 10 . 1 1 88 88 VAL C C 410 178.675 178.675 178.125 0.550 17783 5570 1 10 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.541 -0.666 17783 5571 1 10 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.669 -0.384 17783 5572 1 10 . 1 1 88 88 VAL H H 410 7.355 7.355 7.746 -0.391 17783 5573 1 10 . 1 1 89 89 GLN N N 411 119.387 119.387 120.529 -1.142 17783 5574 1 10 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.934 -0.290 17783 5575 1 10 . 1 1 89 89 GLN C C 411 179.168 179.168 178.692 0.476 17783 5576 1 10 . 1 1 89 89 GLN CA C 411 60.712 60.712 59.103 1.609 17783 5577 1 10 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.552 -0.042 17783 5578 1 10 . 1 1 89 89 GLN H H 411 8.271 8.271 8.616 -0.345 17783 5579 1 10 . 1 1 90 90 ALA N N 412 118.634 118.634 122.864 -4.230 17783 5580 1 10 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.148 0.117 17783 5581 1 10 . 1 1 90 90 ALA C C 412 177.949 177.949 178.490 -0.541 17783 5582 1 10 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.508 -0.567 17783 5583 1 10 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.538 -0.211 17783 5584 1 10 . 1 1 90 90 ALA H H 412 7.794 7.794 8.819 -1.025 17783 5585 1 10 . 1 1 91 91 LYS N N 413 115.842 115.842 117.930 -2.088 17783 5586 1 10 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.101 0.231 17783 5587 1 10 . 1 1 91 91 LYS C C 413 175.829 175.829 175.991 -0.162 17783 5588 1 10 . 1 1 91 91 LYS CA C 413 55.370 55.370 56.552 -1.182 17783 5589 1 10 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.573 -1.089 17783 5590 1 10 . 1 1 91 91 LYS H H 413 7.398 7.398 7.797 -0.399 17783 5591 1 10 . 1 1 92 92 ASN N N 414 113.776 113.776 116.286 -2.510 17783 5592 1 10 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.643 -0.107 17783 5593 1 10 . 1 1 92 92 ASN C C 414 171.075 171.075 173.568 -2.493 17783 5594 1 10 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.563 0.499 17783 5595 1 10 . 1 1 92 92 ASN CB C 414 37.081 37.081 35.964 1.117 17783 5596 1 10 . 1 1 92 92 ASN H H 414 8.178 8.178 8.022 0.156 17783 5597 1 10 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.823 0.179 17783 5598 1 10 . 1 1 93 93 PRO C C 415 175.682 175.682 176.659 -0.977 17783 5599 1 10 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.769 -0.279 17783 5600 1 10 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.484 1.101 17783 5601 1 10 . 1 1 94 94 TRP N N 416 117.925 117.925 120.205 -2.280 17783 5602 1 10 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.870 0.147 17783 5603 1 10 . 1 1 94 94 TRP C C 416 173.607 173.607 173.919 -0.312 17783 5604 1 10 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.798 -0.804 17783 5605 1 10 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.070 1.437 17783 5606 1 10 . 1 1 94 94 TRP H H 416 7.921 7.921 8.248 -0.327 17783 5607 1 10 . 1 1 95 95 ALA N N 417 123.924 123.924 122.817 1.107 17783 5608 1 10 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.253 0.502 17783 5609 1 10 . 1 1 95 95 ALA C C 417 174.171 174.171 176.760 -2.589 17783 5610 1 10 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.698 -1.061 17783 5611 1 10 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.927 -0.459 17783 5612 1 10 . 1 1 95 95 ALA H H 417 8.878 8.878 8.588 0.290 17783 5613 1 10 . 1 1 96 96 LYS N N 418 129.441 129.441 119.967 9.474 17783 5614 1 10 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.397 0.624 17783 5615 1 10 . 1 1 96 96 LYS C C 418 173.451 173.451 173.729 -0.278 17783 5616 1 10 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.429 -0.865 17783 5617 1 10 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.340 3.643 17783 5618 1 10 . 1 1 96 96 LYS H H 418 9.235 9.235 8.300 0.935 17783 5619 1 10 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.266 -0.502 17783 5620 1 10 . 1 1 97 97 PRO C C 419 178.893 178.893 177.860 1.033 17783 5621 1 10 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.949 -0.054 17783 5622 1 10 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.336 0.384 17783 5623 1 10 . 1 1 98 98 LEU N N 420 126.746 126.746 121.716 5.030 17783 5624 1 10 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.159 -0.356 17783 5625 1 10 . 1 1 98 98 LEU C C 420 179.040 179.040 178.430 0.610 17783 5626 1 10 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.593 0.775 17783 5627 1 10 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.767 -1.826 17783 5628 1 10 . 1 1 98 98 LEU H H 420 9.179 9.179 8.678 0.501 17783 5629 1 10 . 1 1 99 99 ARG N N 421 118.262 118.262 116.528 1.734 17783 5630 1 10 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.096 -0.037 17783 5631 1 10 . 1 1 99 99 ARG C C 421 178.140 178.140 176.912 1.228 17783 5632 1 10 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.039 1.054 17783 5633 1 10 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.709 0.247 17783 5634 1 10 . 1 1 99 99 ARG H H 421 8.014 8.014 8.080 -0.066 17783 5635 1 10 . 1 1 100 100 GLN N N 422 116.539 116.539 119.767 -3.228 17783 5636 1 10 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.224 -0.014 17783 5637 1 10 . 1 1 100 100 GLN C C 422 177.594 177.594 177.741 -0.147 17783 5638 1 10 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.487 -0.754 17783 5639 1 10 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.192 -0.014 17783 5640 1 10 . 1 1 100 100 GLN H H 422 7.258 7.258 7.579 -0.321 17783 5641 1 10 . 1 1 101 101 VAL N N 423 119.665 119.665 121.212 -1.547 17783 5642 1 10 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.788 -0.240 17783 5643 1 10 . 1 1 101 101 VAL C C 423 177.040 177.040 177.506 -0.466 17783 5644 1 10 . 1 1 101 101 VAL CA C 423 65.447 65.447 64.792 0.655 17783 5645 1 10 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.231 1.322 17783 5646 1 10 . 1 1 101 101 VAL H H 423 7.090 7.090 7.956 -0.866 17783 5647 1 10 . 1 1 102 102 GLN N N 424 115.032 115.032 118.925 -3.893 17783 5648 1 10 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.974 -0.409 17783 5649 1 10 . 1 1 102 102 GLN C C 424 177.994 177.994 177.654 0.340 17783 5650 1 10 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.290 0.593 17783 5651 1 10 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.441 -0.381 17783 5652 1 10 . 1 1 102 102 GLN H H 424 8.553 8.553 8.335 0.218 17783 5653 1 10 . 1 1 103 103 ALA N N 425 120.742 120.742 122.442 -1.700 17783 5654 1 10 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.065 0.093 17783 5655 1 10 . 1 1 103 103 ALA C C 425 178.545 178.545 179.773 -1.228 17783 5656 1 10 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.604 -0.329 17783 5657 1 10 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.832 -0.510 17783 5658 1 10 . 1 1 103 103 ALA H H 425 7.366 7.366 7.801 -0.435 17783 5659 1 10 . 1 1 104 104 ASP N N 426 117.066 117.066 119.070 -2.004 17783 5660 1 10 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.563 0.145 17783 5661 1 10 . 1 1 104 104 ASP C C 426 176.876 176.876 178.038 -1.162 17783 5662 1 10 . 1 1 104 104 ASP CA C 426 55.223 55.223 56.051 -0.828 17783 5663 1 10 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.180 1.320 17783 5664 1 10 . 1 1 104 104 ASP H H 426 7.628 7.628 8.350 -0.722 17783 5665 1 10 . 1 1 105 105 LEU N N 427 119.853 119.853 120.699 -0.846 17783 5666 1 10 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.358 -0.059 17783 5667 1 10 . 1 1 105 105 LEU C C 427 176.118 176.118 175.431 0.687 17783 5668 1 10 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.106 -0.120 17783 5669 1 10 . 1 1 105 105 LEU CB C 427 42.078 42.078 39.895 2.183 17783 5670 1 10 . 1 1 105 105 LEU H H 427 7.242 7.242 7.628 -0.386 17783 5671 1 11 . 1 1 2 2 ARG N N 324 121.883 121.883 119.801 2.082 17783 5672 1 11 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.063 0.281 17783 5673 1 11 . 1 1 2 2 ARG C C 324 176.887 176.887 175.661 1.226 17783 5674 1 11 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.177 0.328 17783 5675 1 11 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.126 0.608 17783 5676 1 11 . 1 1 2 2 ARG H H 324 8.373 8.373 8.548 -0.175 17783 5677 1 11 . 1 1 3 3 GLY N N 325 111.231 111.231 108.682 2.549 17783 5678 1 11 . 1 1 3 3 GLY C C 325 174.037 174.037 173.855 0.182 17783 5679 1 11 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.254 -0.026 17783 5680 1 11 . 1 1 3 3 GLY H H 325 8.683 8.683 8.369 0.314 17783 5681 1 11 . 1 1 4 4 SER N N 326 115.541 115.541 119.483 -3.942 17783 5682 1 11 . 1 1 4 4 SER HA H 326 4.377 4.377 4.421 -0.044 17783 5683 1 11 . 1 1 4 4 SER C C 326 174.454 174.454 174.151 0.303 17783 5684 1 11 . 1 1 4 4 SER CA C 326 58.315 58.315 57.786 0.529 17783 5685 1 11 . 1 1 4 4 SER CB C 326 63.902 63.902 63.961 -0.059 17783 5686 1 11 . 1 1 4 4 SER H H 326 8.237 8.237 8.614 -0.377 17783 5687 1 11 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.178 0.402 17783 5688 1 11 . 1 1 10 10 HIS C C 332 175.292 175.292 175.163 0.129 17783 5689 1 11 . 1 1 10 10 HIS CA C 332 55.946 55.946 55.691 0.255 17783 5690 1 11 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.597 0.526 17783 5691 1 11 . 1 1 11 11 GLY N N 333 110.527 110.527 110.426 0.101 17783 5692 1 11 . 1 1 11 11 GLY C C 333 174.126 174.126 173.950 0.176 17783 5693 1 11 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.801 0.526 17783 5694 1 11 . 1 1 11 11 GLY H H 333 8.540 8.540 8.466 0.074 17783 5695 1 11 . 1 1 12 12 SER N N 334 115.752 115.752 113.699 2.053 17783 5696 1 11 . 1 1 12 12 SER HA H 334 4.436 4.436 3.832 0.604 17783 5697 1 11 . 1 1 12 12 SER C C 334 174.538 174.538 174.502 0.036 17783 5698 1 11 . 1 1 12 12 SER CA C 334 58.486 58.486 57.989 0.497 17783 5699 1 11 . 1 1 12 12 SER CB C 334 63.927 63.927 62.625 1.302 17783 5700 1 11 . 1 1 12 12 SER H H 334 8.356 8.356 7.069 1.287 17783 5701 1 11 . 1 1 13 13 ASN N N 335 120.410 120.410 123.544 -3.134 17783 5702 1 11 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.551 0.178 17783 5703 1 11 . 1 1 13 13 ASN C C 335 175.116 175.116 175.002 0.114 17783 5704 1 11 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.901 -0.515 17783 5705 1 11 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.564 0.104 17783 5706 1 11 . 1 1 13 13 ASN H H 335 8.575 8.575 8.339 0.236 17783 5707 1 11 . 1 1 14 14 ASN N N 336 119.094 119.094 118.590 0.504 17783 5708 1 11 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.419 0.310 17783 5709 1 11 . 1 1 14 14 ASN C C 336 175.395 175.395 173.216 2.179 17783 5710 1 11 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.680 -0.295 17783 5711 1 11 . 1 1 14 14 ASN CB C 336 38.669 38.669 37.582 1.087 17783 5712 1 11 . 1 1 14 14 ASN H H 336 8.447 8.447 8.640 -0.193 17783 5713 1 11 . 1 1 15 15 ASN N N 337 118.915 118.915 116.459 2.456 17783 5714 1 11 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.751 -0.217 17783 5715 1 11 . 1 1 15 15 ASN C C 337 176.390 176.390 173.909 2.481 17783 5716 1 11 . 1 1 15 15 ASN CA C 337 53.991 53.991 52.543 1.448 17783 5717 1 11 . 1 1 15 15 ASN CB C 337 38.621 38.621 40.147 -1.526 17783 5718 1 11 . 1 1 15 15 ASN H H 337 8.446 8.446 8.006 0.440 17783 5719 1 11 . 1 1 16 16 GLY N N 338 108.851 108.851 107.970 0.881 17783 5720 1 11 . 1 1 16 16 GLY C C 338 175.459 175.459 174.288 1.171 17783 5721 1 11 . 1 1 16 16 GLY CA C 338 46.752 46.752 44.847 1.905 17783 5722 1 11 . 1 1 16 16 GLY H H 338 8.454 8.454 8.377 0.077 17783 5723 1 11 . 1 1 17 17 SER N N 339 116.218 116.218 114.434 1.784 17783 5724 1 11 . 1 1 17 17 SER HA H 339 4.229 4.229 4.288 -0.059 17783 5725 1 11 . 1 1 17 17 SER C C 339 175.869 175.869 175.774 0.095 17783 5726 1 11 . 1 1 17 17 SER CA C 339 59.759 59.759 59.331 0.428 17783 5727 1 11 . 1 1 17 17 SER CB C 339 62.973 62.973 63.391 -0.418 17783 5728 1 11 . 1 1 17 17 SER H H 339 8.170 8.170 8.518 -0.348 17783 5729 1 11 . 1 1 18 18 LEU N N 340 121.515 121.515 123.016 -1.501 17783 5730 1 11 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.072 -0.070 17783 5731 1 11 . 1 1 18 18 LEU C C 340 178.399 178.399 177.354 1.045 17783 5732 1 11 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.054 1.097 17783 5733 1 11 . 1 1 18 18 LEU CB C 340 42.076 42.076 40.891 1.185 17783 5734 1 11 . 1 1 18 18 LEU H H 340 7.790 7.790 7.923 -0.133 17783 5735 1 11 . 1 1 19 19 LYS N N 341 117.145 117.145 116.550 0.595 17783 5736 1 11 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.052 -0.244 17783 5737 1 11 . 1 1 19 19 LYS C C 341 176.960 176.960 176.985 -0.025 17783 5738 1 11 . 1 1 19 19 LYS CA C 341 59.192 59.192 57.433 1.759 17783 5739 1 11 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.032 1.761 17783 5740 1 11 . 1 1 19 19 LYS H H 341 7.893 7.893 7.236 0.657 17783 5741 1 11 . 1 1 20 20 SER N N 342 110.377 110.377 114.565 -4.188 17783 5742 1 11 . 1 1 20 20 SER HA H 342 4.369 4.369 4.273 0.096 17783 5743 1 11 . 1 1 20 20 SER C C 342 173.735 173.735 174.834 -1.099 17783 5744 1 11 . 1 1 20 20 SER CA C 342 58.141 58.141 58.718 -0.577 17783 5745 1 11 . 1 1 20 20 SER CB C 342 63.900 63.900 63.374 0.526 17783 5746 1 11 . 1 1 20 20 SER H H 342 7.546 7.546 7.688 -0.142 17783 5747 1 11 . 1 1 21 21 ALA N N 343 125.662 125.662 125.121 0.541 17783 5748 1 11 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.472 -0.110 17783 5749 1 11 . 1 1 21 21 ALA C C 343 174.051 174.051 175.045 -0.994 17783 5750 1 11 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.639 0.933 17783 5751 1 11 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.739 -0.605 17783 5752 1 11 . 1 1 21 21 ALA H H 343 6.852 6.852 7.309 -0.457 17783 5753 1 11 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.438 -0.200 17783 5754 1 11 . 1 1 22 22 PRO C C 344 178.184 178.184 177.026 1.158 17783 5755 1 11 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.830 0.252 17783 5756 1 11 . 1 1 22 22 PRO CB C 344 31.604 31.604 32.649 -1.045 17783 5757 1 11 . 1 1 23 23 SER N N 345 118.662 118.662 119.891 -1.229 17783 5758 1 11 . 1 1 23 23 SER HA H 345 3.825 3.825 4.190 -0.365 17783 5759 1 11 . 1 1 23 23 SER C C 345 174.231 174.231 175.540 -1.309 17783 5760 1 11 . 1 1 23 23 SER CA C 345 60.892 60.892 59.187 1.705 17783 5761 1 11 . 1 1 23 23 SER CB C 345 63.223 63.223 62.825 0.397 17783 5762 1 11 . 1 1 23 23 SER H H 345 8.566 8.566 8.485 0.081 17783 5763 1 11 . 1 1 24 24 SER N N 346 111.938 111.938 116.037 -4.099 17783 5764 1 11 . 1 1 24 24 SER HA H 346 4.383 4.383 4.272 0.111 17783 5765 1 11 . 1 1 24 24 SER C C 346 175.152 175.152 175.108 0.044 17783 5766 1 11 . 1 1 24 24 SER CA C 346 58.247 58.247 60.079 -1.832 17783 5767 1 11 . 1 1 24 24 SER CB C 346 63.958 63.958 63.095 0.863 17783 5768 1 11 . 1 1 24 24 SER H H 346 7.675 7.675 8.088 -0.413 17783 5769 1 11 . 1 1 25 25 HIS N N 347 122.882 122.882 119.590 3.292 17783 5770 1 11 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.220 0.630 17783 5771 1 11 . 1 1 25 25 HIS C C 347 173.574 173.574 174.625 -1.051 17783 5772 1 11 . 1 1 25 25 HIS CA C 347 56.075 56.075 57.733 -1.657 17783 5773 1 11 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.495 1.353 17783 5774 1 11 . 1 1 25 25 HIS H H 347 7.628 7.628 7.381 0.247 17783 5775 1 11 . 1 1 26 26 TYR N N 348 117.921 117.921 115.318 2.603 17783 5776 1 11 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.624 0.365 17783 5777 1 11 . 1 1 26 26 TYR C C 348 174.086 174.086 173.889 0.197 17783 5778 1 11 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.446 -0.259 17783 5779 1 11 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.913 0.921 17783 5780 1 11 . 1 1 26 26 TYR H H 348 9.606 9.606 8.059 1.547 17783 5781 1 11 . 1 1 27 27 THR N N 349 115.914 115.914 117.547 -1.633 17783 5782 1 11 . 1 1 27 27 THR HA H 349 5.027 5.027 4.720 0.307 17783 5783 1 11 . 1 1 27 27 THR C C 349 172.904 172.904 173.719 -0.815 17783 5784 1 11 . 1 1 27 27 THR CA C 349 58.835 58.835 61.848 -3.013 17783 5785 1 11 . 1 1 27 27 THR CB C 349 70.587 70.587 70.556 0.031 17783 5786 1 11 . 1 1 27 27 THR H H 349 8.974 8.974 8.463 0.511 17783 5787 1 11 . 1 1 28 28 LEU N N 350 123.392 123.392 126.058 -2.666 17783 5788 1 11 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.164 0.825 17783 5789 1 11 . 1 1 28 28 LEU C C 350 176.111 176.111 176.090 0.021 17783 5790 1 11 . 1 1 28 28 LEU CA C 350 53.098 53.098 56.584 -3.486 17783 5791 1 11 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.735 2.135 17783 5792 1 11 . 1 1 28 28 LEU H H 350 8.249 8.249 8.631 -0.382 17783 5793 1 11 . 1 1 29 29 GLN N N 351 122.797 122.797 114.624 8.173 17783 5794 1 11 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.788 -0.235 17783 5795 1 11 . 1 1 29 29 GLN C C 351 175.435 175.435 174.401 1.034 17783 5796 1 11 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.537 1.406 17783 5797 1 11 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.011 -2.780 17783 5798 1 11 . 1 1 29 29 GLN H H 351 8.915 8.915 7.969 0.946 17783 5799 1 11 . 1 1 30 30 LEU N N 352 125.239 125.239 118.740 6.499 17783 5800 1 11 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.864 -0.497 17783 5801 1 11 . 1 1 30 30 LEU C C 352 177.250 177.250 175.268 1.982 17783 5802 1 11 . 1 1 30 30 LEU CA C 352 56.101 56.101 55.420 0.680 17783 5803 1 11 . 1 1 30 30 LEU CB C 352 43.100 43.100 45.230 -2.130 17783 5804 1 11 . 1 1 30 30 LEU H H 352 8.920 8.920 8.510 0.410 17783 5805 1 11 . 1 1 31 31 SER N N 353 106.816 106.816 110.437 -3.621 17783 5806 1 11 . 1 1 31 31 SER HA H 353 4.493 4.493 4.775 -0.282 17783 5807 1 11 . 1 1 31 31 SER C C 353 171.831 171.831 172.192 -0.361 17783 5808 1 11 . 1 1 31 31 SER CA C 353 57.160 57.160 57.650 -0.490 17783 5809 1 11 . 1 1 31 31 SER CB C 353 64.360 64.360 65.687 -1.327 17783 5810 1 11 . 1 1 31 31 SER H H 353 7.548 7.548 8.071 -0.523 17783 5811 1 11 . 1 1 32 32 SER N N 354 113.518 113.518 113.919 -0.401 17783 5812 1 11 . 1 1 32 32 SER HA H 354 5.026 5.026 4.406 0.620 17783 5813 1 11 . 1 1 32 32 SER C C 354 172.512 172.512 171.823 0.689 17783 5814 1 11 . 1 1 32 32 SER CA C 354 57.285 57.285 57.175 0.110 17783 5815 1 11 . 1 1 32 32 SER CB C 354 65.347 65.347 65.412 -0.065 17783 5816 1 11 . 1 1 32 32 SER H H 354 8.127 8.127 8.069 0.058 17783 5817 1 11 . 1 1 33 33 SER N N 355 114.624 114.624 115.449 -0.825 17783 5818 1 11 . 1 1 33 33 SER HA H 355 4.106 4.106 4.034 0.072 17783 5819 1 11 . 1 1 33 33 SER C C 355 171.639 171.639 172.023 -0.384 17783 5820 1 11 . 1 1 33 33 SER CA C 355 57.276 57.276 58.101 -0.825 17783 5821 1 11 . 1 1 33 33 SER CB C 355 64.539 64.539 64.633 -0.094 17783 5822 1 11 . 1 1 33 33 SER H H 355 8.616 8.616 6.595 2.021 17783 5823 1 11 . 1 1 34 34 SER N N 356 116.467 116.467 116.115 0.352 17783 5824 1 11 . 1 1 34 34 SER HA H 356 4.241 4.241 4.929 -0.688 17783 5825 1 11 . 1 1 34 34 SER C C 356 173.820 173.820 172.872 0.948 17783 5826 1 11 . 1 1 34 34 SER CA C 356 59.074 59.074 58.028 1.046 17783 5827 1 11 . 1 1 34 34 SER CB C 356 63.741 63.741 63.528 0.213 17783 5828 1 11 . 1 1 34 34 SER H H 356 8.132 8.132 8.340 -0.208 17783 5829 1 11 . 1 1 35 35 ASN N N 357 122.206 122.206 120.018 2.188 17783 5830 1 11 . 1 1 35 35 ASN HA H 357 4.921 4.921 4.929 -0.008 17783 5831 1 11 . 1 1 35 35 ASN C C 357 172.965 172.965 173.802 -0.837 17783 5832 1 11 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.281 -0.834 17783 5833 1 11 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.296 0.629 17783 5834 1 11 . 1 1 35 35 ASN H H 357 8.511 8.511 8.436 0.075 17783 5835 1 11 . 1 1 36 36 TYR N N 358 127.519 127.519 124.763 2.756 17783 5836 1 11 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.249 -1.277 17783 5837 1 11 . 1 1 36 36 TYR C C 358 176.522 176.522 176.849 -0.327 17783 5838 1 11 . 1 1 36 36 TYR CA C 358 61.969 61.969 60.778 1.191 17783 5839 1 11 . 1 1 36 36 TYR CB C 358 37.711 37.711 39.053 -1.342 17783 5840 1 11 . 1 1 36 36 TYR H H 358 8.002 8.002 8.762 -0.760 17783 5841 1 11 . 1 1 37 37 ASP N N 359 118.658 118.658 119.377 -0.719 17783 5842 1 11 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.164 -0.020 17783 5843 1 11 . 1 1 37 37 ASP C C 359 179.804 179.804 178.774 1.030 17783 5844 1 11 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.779 -0.276 17783 5845 1 11 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.540 -0.362 17783 5846 1 11 . 1 1 37 37 ASP H H 359 8.033 8.033 8.669 -0.636 17783 5847 1 11 . 1 1 38 38 ASN N N 360 119.802 119.802 118.162 1.640 17783 5848 1 11 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.463 -0.160 17783 5849 1 11 . 1 1 38 38 ASN C C 360 177.720 177.720 178.002 -0.282 17783 5850 1 11 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.274 0.176 17783 5851 1 11 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.713 -0.950 17783 5852 1 11 . 1 1 38 38 ASN H H 360 8.380 8.380 8.223 0.157 17783 5853 1 11 . 1 1 39 39 LEU N N 361 121.625 121.625 120.548 1.077 17783 5854 1 11 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.164 -0.067 17783 5855 1 11 . 1 1 39 39 LEU C C 361 177.738 177.738 177.935 -0.197 17783 5856 1 11 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.696 -0.131 17783 5857 1 11 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.800 0.928 17783 5858 1 11 . 1 1 39 39 LEU H H 361 7.243 7.243 8.025 -0.782 17783 5859 1 11 . 1 1 40 40 ASN N N 362 116.601 116.601 118.036 -1.435 17783 5860 1 11 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.226 -0.081 17783 5861 1 11 . 1 1 40 40 ASN C C 362 177.253 177.253 177.620 -0.367 17783 5862 1 11 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.748 -0.221 17783 5863 1 11 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.061 1.265 17783 5864 1 11 . 1 1 40 40 ASN H H 362 8.284 8.284 8.028 0.256 17783 5865 1 11 . 1 1 41 41 GLY N N 363 104.958 104.958 107.660 -2.702 17783 5866 1 11 . 1 1 41 41 GLY C C 363 176.323 176.323 175.665 0.658 17783 5867 1 11 . 1 1 41 41 GLY CA C 363 46.839 46.839 47.274 -0.435 17783 5868 1 11 . 1 1 41 41 GLY H H 363 8.334 8.334 7.853 0.481 17783 5869 1 11 . 1 1 42 42 TRP N N 364 125.066 125.066 124.370 0.696 17783 5870 1 11 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.343 -0.117 17783 5871 1 11 . 1 1 42 42 TRP C C 364 176.509 176.509 177.761 -1.252 17783 5872 1 11 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.472 1.017 17783 5873 1 11 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.456 -1.581 17783 5874 1 11 . 1 1 42 42 TRP H H 364 7.833 7.833 7.399 0.434 17783 5875 1 11 . 1 1 43 43 ALA N N 365 120.030 120.030 120.833 -0.803 17783 5876 1 11 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.479 -0.485 17783 5877 1 11 . 1 1 43 43 ALA C C 365 179.186 179.186 179.679 -0.493 17783 5878 1 11 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.348 -0.347 17783 5879 1 11 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.153 -1.065 17783 5880 1 11 . 1 1 43 43 ALA H H 365 7.701 7.701 8.720 -1.019 17783 5881 1 11 . 1 1 44 44 LYS N N 366 115.064 115.064 116.511 -1.447 17783 5882 1 11 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.030 0.003 17783 5883 1 11 . 1 1 44 44 LYS C C 366 180.830 180.830 178.580 2.250 17783 5884 1 11 . 1 1 44 44 LYS CA C 366 58.991 58.991 57.802 1.189 17783 5885 1 11 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.237 0.113 17783 5886 1 11 . 1 1 44 44 LYS H H 366 7.562 7.562 7.882 -0.320 17783 5887 1 11 . 1 1 45 45 LYS N N 367 123.180 123.180 120.331 2.849 17783 5888 1 11 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.010 -0.103 17783 5889 1 11 . 1 1 45 45 LYS C C 367 178.319 178.319 178.464 -0.145 17783 5890 1 11 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.580 0.464 17783 5891 1 11 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.249 -0.183 17783 5892 1 11 . 1 1 45 45 LYS H H 367 8.067 8.067 7.767 0.300 17783 5893 1 11 . 1 1 46 46 GLU N N 368 114.882 114.882 114.758 0.124 17783 5894 1 11 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.058 -0.141 17783 5895 1 11 . 1 1 46 46 GLU C C 368 174.639 174.639 175.622 -0.983 17783 5896 1 11 . 1 1 46 46 GLU CA C 368 55.016 55.016 57.001 -1.985 17783 5897 1 11 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.625 -1.948 17783 5898 1 11 . 1 1 46 46 GLU H H 368 7.488 7.488 7.398 0.090 17783 5899 1 11 . 1 1 47 47 ASN N N 369 114.944 114.944 115.448 -0.504 17783 5900 1 11 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.228 0.044 17783 5901 1 11 . 1 1 47 47 ASN C C 369 174.759 174.759 174.467 0.292 17783 5902 1 11 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.550 0.154 17783 5903 1 11 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.421 0.638 17783 5904 1 11 . 1 1 47 47 ASN H H 369 7.772 7.772 7.406 0.366 17783 5905 1 11 . 1 1 48 48 LEU N N 370 116.008 116.008 119.267 -3.259 17783 5906 1 11 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.881 0.239 17783 5907 1 11 . 1 1 48 48 LEU C C 370 177.056 177.056 176.738 0.318 17783 5908 1 11 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.482 -0.364 17783 5909 1 11 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.267 0.651 17783 5910 1 11 . 1 1 48 48 LEU H H 370 7.463 7.463 7.302 0.161 17783 5911 1 11 . 1 1 49 49 LYS N N 371 120.012 120.012 122.289 -2.277 17783 5912 1 11 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.201 0.359 17783 5913 1 11 . 1 1 49 49 LYS C C 371 176.481 176.481 175.981 0.500 17783 5914 1 11 . 1 1 49 49 LYS CA C 371 55.329 55.329 56.050 -0.721 17783 5915 1 11 . 1 1 49 49 LYS CB C 371 34.555 34.555 32.906 1.649 17783 5916 1 11 . 1 1 49 49 LYS H H 371 8.518 8.518 7.946 0.572 17783 5917 1 11 . 1 1 50 50 ASN N N 372 117.610 117.610 119.567 -1.957 17783 5918 1 11 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.500 0.014 17783 5919 1 11 . 1 1 50 50 ASN C C 372 173.445 173.445 173.700 -0.255 17783 5920 1 11 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.609 -1.172 17783 5921 1 11 . 1 1 50 50 ASN CB C 372 37.932 37.932 37.357 0.575 17783 5922 1 11 . 1 1 50 50 ASN H H 372 8.734 8.734 8.502 0.232 17783 5923 1 11 . 1 1 51 51 TYR N N 373 117.151 117.151 118.542 -1.391 17783 5924 1 11 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.885 0.510 17783 5925 1 11 . 1 1 51 51 TYR C C 373 173.549 173.549 173.449 0.100 17783 5926 1 11 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.378 -0.596 17783 5927 1 11 . 1 1 51 51 TYR CB C 373 40.411 40.411 39.605 0.806 17783 5928 1 11 . 1 1 51 51 TYR H H 373 7.570 7.570 8.073 -0.503 17783 5929 1 11 . 1 1 52 52 VAL N N 374 120.887 120.887 122.125 -1.238 17783 5930 1 11 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.152 0.146 17783 5931 1 11 . 1 1 52 52 VAL C C 374 174.289 174.289 173.962 0.327 17783 5932 1 11 . 1 1 52 52 VAL CA C 374 61.714 61.714 60.958 0.756 17783 5933 1 11 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.251 2.333 17783 5934 1 11 . 1 1 52 52 VAL H H 374 9.140 9.140 8.438 0.702 17783 5935 1 11 . 1 1 53 53 VAL N N 375 126.060 126.060 127.153 -1.093 17783 5936 1 11 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.299 1.116 17783 5937 1 11 . 1 1 53 53 VAL C C 375 175.803 175.803 175.767 0.036 17783 5938 1 11 . 1 1 53 53 VAL CA C 375 60.656 60.656 61.947 -1.290 17783 5939 1 11 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.789 0.947 17783 5940 1 11 . 1 1 53 53 VAL H H 375 8.600 8.600 8.189 0.411 17783 5941 1 11 . 1 1 54 54 TYR N N 376 125.706 125.706 126.180 -0.474 17783 5942 1 11 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.003 0.419 17783 5943 1 11 . 1 1 54 54 TYR C C 376 172.139 172.139 172.963 -0.824 17783 5944 1 11 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.626 -0.497 17783 5945 1 11 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.346 1.311 17783 5946 1 11 . 1 1 54 54 TYR H H 376 9.292 9.292 8.470 0.822 17783 5947 1 11 . 1 1 55 55 GLU N N 377 122.063 122.063 119.831 2.232 17783 5948 1 11 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.806 0.908 17783 5949 1 11 . 1 1 55 55 GLU C C 377 175.011 175.011 175.079 -0.068 17783 5950 1 11 . 1 1 55 55 GLU CA C 377 55.143 55.143 54.374 0.769 17783 5951 1 11 . 1 1 55 55 GLU CB C 377 32.659 32.659 31.674 0.985 17783 5952 1 11 . 1 1 55 55 GLU H H 377 8.758 8.758 8.446 0.312 17783 5953 1 11 . 1 1 56 56 THR N N 378 122.855 122.855 115.475 7.380 17783 5954 1 11 . 1 1 56 56 THR HA H 378 4.848 4.848 4.550 0.298 17783 5955 1 11 . 1 1 56 56 THR C C 378 173.550 173.550 172.476 1.074 17783 5956 1 11 . 1 1 56 56 THR CA C 378 58.732 58.732 60.433 -1.701 17783 5957 1 11 . 1 1 56 56 THR CB C 378 70.181 70.181 69.693 0.488 17783 5958 1 11 . 1 1 56 56 THR H H 378 9.160 9.160 7.688 1.472 17783 5959 1 11 . 1 1 57 57 THR N N 379 116.629 116.629 114.624 2.005 17783 5960 1 11 . 1 1 57 57 THR HA H 379 5.145 5.145 4.622 0.523 17783 5961 1 11 . 1 1 57 57 THR C C 379 173.973 173.973 173.111 0.862 17783 5962 1 11 . 1 1 57 57 THR CA C 379 60.517 60.517 61.452 -0.935 17783 5963 1 11 . 1 1 57 57 THR CB C 379 71.582 71.582 70.627 0.955 17783 5964 1 11 . 1 1 57 57 THR H H 379 8.677 8.677 8.391 0.286 17783 5965 1 11 . 1 1 58 58 ARG N N 380 124.546 124.546 125.663 -1.117 17783 5966 1 11 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.522 -0.214 17783 5967 1 11 . 1 1 58 58 ARG C C 380 176.074 176.074 174.241 1.833 17783 5968 1 11 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.611 -1.101 17783 5969 1 11 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.177 1.296 17783 5970 1 11 . 1 1 58 58 ARG H H 380 9.117 9.117 8.563 0.554 17783 5971 1 11 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.459 -0.153 17783 5972 1 11 . 1 1 59 59 ASN C C 381 175.444 175.444 176.288 -0.844 17783 5973 1 11 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.402 0.835 17783 5974 1 11 . 1 1 59 59 ASN CB C 381 37.213 37.213 36.712 0.501 17783 5975 1 11 . 1 1 60 60 GLY N N 382 103.015 103.015 104.963 -1.948 17783 5976 1 11 . 1 1 60 60 GLY C C 382 173.488 173.488 173.152 0.336 17783 5977 1 11 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.274 -0.801 17783 5978 1 11 . 1 1 60 60 GLY H H 382 8.639 8.639 8.729 -0.090 17783 5979 1 11 . 1 1 61 61 GLN N N 383 119.903 119.903 118.665 1.238 17783 5980 1 11 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.734 0.266 17783 5981 1 11 . 1 1 61 61 GLN C C 383 172.730 172.730 173.427 -0.697 17783 5982 1 11 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.627 0.064 17783 5983 1 11 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.600 0.111 17783 5984 1 11 . 1 1 61 61 GLN H H 383 7.697 7.697 7.956 -0.259 17783 5985 1 11 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.588 0.026 17783 5986 1 11 . 1 1 62 62 PRO C C 384 175.576 175.576 175.487 0.089 17783 5987 1 11 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.895 1.107 17783 5988 1 11 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.138 0.407 17783 5989 1 11 . 1 1 63 63 TRP N N 385 126.621 126.621 123.412 3.209 17783 5990 1 11 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.905 -0.394 17783 5991 1 11 . 1 1 63 63 TRP C C 385 172.096 172.096 173.640 -1.544 17783 5992 1 11 . 1 1 63 63 TRP CA C 385 56.082 56.082 56.238 -0.156 17783 5993 1 11 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.582 1.592 17783 5994 1 11 . 1 1 63 63 TRP H H 385 8.063 8.063 7.764 0.299 17783 5995 1 11 . 1 1 64 64 TYR N N 386 124.129 124.129 122.393 1.736 17783 5996 1 11 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.287 0.931 17783 5997 1 11 . 1 1 64 64 TYR C C 386 173.544 173.544 174.150 -0.606 17783 5998 1 11 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.806 -0.037 17783 5999 1 11 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.118 3.315 17783 6000 1 11 . 1 1 64 64 TYR H H 386 7.954 7.954 7.807 0.147 17783 6001 1 11 . 1 1 65 65 VAL N N 387 121.167 121.167 122.058 -0.891 17783 6002 1 11 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.382 -0.519 17783 6003 1 11 . 1 1 65 65 VAL C C 387 172.675 172.675 174.481 -1.806 17783 6004 1 11 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.961 0.297 17783 6005 1 11 . 1 1 65 65 VAL CB C 387 34.133 34.133 34.198 -0.065 17783 6006 1 11 . 1 1 65 65 VAL H H 387 8.409 8.409 7.304 1.105 17783 6007 1 11 . 1 1 66 66 LEU N N 388 127.479 127.479 126.614 0.865 17783 6008 1 11 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.951 0.472 17783 6009 1 11 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.603 -0.107 17783 6010 1 11 . 1 1 66 66 LEU CB C 388 44.755 44.755 44.716 0.039 17783 6011 1 11 . 1 1 66 66 LEU H H 388 8.200 8.200 8.759 -0.559 17783 6012 1 11 . 1 1 67 67 VAL N N 389 120.778 120.778 116.910 3.868 17783 6013 1 11 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.574 1.266 17783 6014 1 11 . 1 1 67 67 VAL C C 389 174.934 174.934 174.117 0.817 17783 6015 1 11 . 1 1 67 67 VAL CA C 389 57.827 57.827 59.579 -1.752 17783 6016 1 11 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.409 -0.716 17783 6017 1 11 . 1 1 67 67 VAL H H 389 9.314 9.314 8.640 0.674 17783 6018 1 11 . 1 1 68 68 SER N N 390 113.588 113.588 117.134 -3.546 17783 6019 1 11 . 1 1 68 68 SER HA H 390 4.850 4.850 4.599 0.251 17783 6020 1 11 . 1 1 68 68 SER C C 390 174.691 174.691 175.203 -0.512 17783 6021 1 11 . 1 1 68 68 SER CA C 390 58.213 58.213 57.826 0.387 17783 6022 1 11 . 1 1 68 68 SER CB C 390 66.007 66.007 63.141 2.866 17783 6023 1 11 . 1 1 68 68 SER H H 390 8.803 8.803 8.246 0.557 17783 6024 1 11 . 1 1 69 69 GLY N N 391 115.161 115.161 114.877 0.284 17783 6025 1 11 . 1 1 69 69 GLY C C 391 172.208 172.208 172.525 -0.317 17783 6026 1 11 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.551 -1.226 17783 6027 1 11 . 1 1 69 69 GLY H H 391 8.436 8.436 8.279 0.157 17783 6028 1 11 . 1 1 70 70 VAL N N 392 117.033 117.033 120.997 -3.964 17783 6029 1 11 . 1 1 70 70 VAL HA H 392 4.480 4.480 3.942 0.538 17783 6030 1 11 . 1 1 70 70 VAL C C 392 174.635 174.635 174.702 -0.067 17783 6031 1 11 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.606 0.597 17783 6032 1 11 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.581 0.656 17783 6033 1 11 . 1 1 70 70 VAL H H 392 7.188 7.188 7.882 -0.694 17783 6034 1 11 . 1 1 71 71 TYR N N 393 124.867 124.867 125.161 -0.294 17783 6035 1 11 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.595 0.206 17783 6036 1 11 . 1 1 71 71 TYR C C 393 175.550 175.550 176.275 -0.725 17783 6037 1 11 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.941 -1.656 17783 6038 1 11 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.365 3.178 17783 6039 1 11 . 1 1 71 71 TYR H H 393 9.517 9.517 7.701 1.816 17783 6040 1 11 . 1 1 72 72 ALA N N 394 124.217 124.217 125.105 -0.888 17783 6041 1 11 . 1 1 72 72 ALA HA H 394 2.771 2.771 4.176 -1.405 17783 6042 1 11 . 1 1 72 72 ALA C C 394 175.911 175.911 176.808 -0.897 17783 6043 1 11 . 1 1 72 72 ALA CA C 394 53.257 53.257 53.062 0.195 17783 6044 1 11 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.299 -0.278 17783 6045 1 11 . 1 1 72 72 ALA H H 394 8.984 8.984 8.681 0.303 17783 6046 1 11 . 1 1 73 73 SER N N 395 106.325 106.325 110.026 -3.701 17783 6047 1 11 . 1 1 73 73 SER HA H 395 4.769 4.769 4.725 0.044 17783 6048 1 11 . 1 1 73 73 SER C C 395 173.686 173.686 174.569 -0.883 17783 6049 1 11 . 1 1 73 73 SER CA C 395 56.031 56.031 56.988 -0.957 17783 6050 1 11 . 1 1 73 73 SER CB C 395 66.773 66.773 65.491 1.282 17783 6051 1 11 . 1 1 73 73 SER H H 395 7.251 7.251 7.521 -0.270 17783 6052 1 11 . 1 1 74 74 LYS N N 396 123.531 123.531 123.072 0.459 17783 6053 1 11 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.370 -0.476 17783 6054 1 11 . 1 1 74 74 LYS C C 396 178.040 178.040 177.593 0.447 17783 6055 1 11 . 1 1 74 74 LYS CA C 396 59.543 59.543 59.188 0.355 17783 6056 1 11 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.947 -0.311 17783 6057 1 11 . 1 1 74 74 LYS H H 396 8.742 8.742 8.839 -0.097 17783 6058 1 11 . 1 1 75 75 GLU N N 397 118.740 118.740 117.184 1.556 17783 6059 1 11 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.950 -0.136 17783 6060 1 11 . 1 1 75 75 GLU C C 397 179.136 179.136 178.846 0.290 17783 6061 1 11 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.188 0.889 17783 6062 1 11 . 1 1 75 75 GLU CB C 397 28.748 28.748 28.462 0.286 17783 6063 1 11 . 1 1 75 75 GLU H H 397 8.529 8.529 8.507 0.022 17783 6064 1 11 . 1 1 76 76 GLU N N 398 119.987 119.987 119.044 0.943 17783 6065 1 11 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.097 -0.262 17783 6066 1 11 . 1 1 76 76 GLU C C 398 178.564 178.564 177.718 0.846 17783 6067 1 11 . 1 1 76 76 GLU CA C 398 59.362 59.362 57.614 1.748 17783 6068 1 11 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.651 0.780 17783 6069 1 11 . 1 1 76 76 GLU H H 398 7.804 7.804 7.694 0.110 17783 6070 1 11 . 1 1 77 77 ALA N N 399 122.630 122.630 123.072 -0.442 17783 6071 1 11 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.021 -0.433 17783 6072 1 11 . 1 1 77 77 ALA C C 399 177.764 177.764 179.439 -1.675 17783 6073 1 11 . 1 1 77 77 ALA CA C 399 54.361 54.361 55.141 -0.780 17783 6074 1 11 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.040 -0.374 17783 6075 1 11 . 1 1 77 77 ALA H H 399 7.294 7.294 7.204 0.090 17783 6076 1 11 . 1 1 78 78 LYS N N 400 115.403 115.403 118.485 -3.082 17783 6077 1 11 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.869 -0.099 17783 6078 1 11 . 1 1 78 78 LYS C C 400 180.700 180.700 178.840 1.860 17783 6079 1 11 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.967 0.575 17783 6080 1 11 . 1 1 78 78 LYS CB C 400 31.833 31.833 31.759 0.074 17783 6081 1 11 . 1 1 78 78 LYS H H 400 8.001 8.001 7.769 0.232 17783 6082 1 11 . 1 1 79 79 LYS N N 401 119.756 119.756 120.010 -0.254 17783 6083 1 11 . 1 1 79 79 LYS HA H 401 3.969 3.969 3.990 -0.021 17783 6084 1 11 . 1 1 79 79 LYS C C 401 178.347 178.347 177.866 0.481 17783 6085 1 11 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.534 0.442 17783 6086 1 11 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.842 0.456 17783 6087 1 11 . 1 1 79 79 LYS H H 401 7.788 7.788 7.618 0.170 17783 6088 1 11 . 1 1 80 80 ALA N N 402 120.725 120.725 121.251 -0.526 17783 6089 1 11 . 1 1 80 80 ALA HA H 402 4.143 4.143 3.983 0.160 17783 6090 1 11 . 1 1 80 80 ALA C C 402 180.118 180.118 179.208 0.910 17783 6091 1 11 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.914 -1.142 17783 6092 1 11 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.913 0.556 17783 6093 1 11 . 1 1 80 80 ALA H H 402 7.334 7.334 7.608 -0.274 17783 6094 1 11 . 1 1 81 81 VAL N N 403 120.431 120.431 118.833 1.598 17783 6095 1 11 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.635 -0.273 17783 6096 1 11 . 1 1 81 81 VAL C C 403 177.205 177.205 177.263 -0.058 17783 6097 1 11 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.867 0.861 17783 6098 1 11 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.546 0.187 17783 6099 1 11 . 1 1 81 81 VAL H H 403 7.480 7.480 7.580 -0.100 17783 6100 1 11 . 1 1 82 82 SER N N 404 110.126 110.126 111.761 -1.635 17783 6101 1 11 . 1 1 82 82 SER HA H 404 4.143 4.143 4.210 -0.067 17783 6102 1 11 . 1 1 82 82 SER C C 404 174.813 174.813 175.922 -1.109 17783 6103 1 11 . 1 1 82 82 SER CA C 404 60.751 60.751 60.955 -0.203 17783 6104 1 11 . 1 1 82 82 SER CB C 404 63.287 63.287 62.944 0.343 17783 6105 1 11 . 1 1 82 82 SER H H 404 7.326 7.326 8.218 -0.892 17783 6106 1 11 . 1 1 83 83 THR N N 405 110.438 110.438 113.519 -3.081 17783 6107 1 11 . 1 1 83 83 THR HA H 405 4.461 4.461 4.113 0.348 17783 6108 1 11 . 1 1 83 83 THR C C 405 175.081 175.081 175.555 -0.474 17783 6109 1 11 . 1 1 83 83 THR CA C 405 61.761 61.761 64.091 -2.330 17783 6110 1 11 . 1 1 83 83 THR CB C 405 69.795 69.795 69.130 0.665 17783 6111 1 11 . 1 1 83 83 THR H H 405 7.634 7.634 7.254 0.380 17783 6112 1 11 . 1 1 84 84 LEU N N 406 123.244 123.244 123.948 -0.704 17783 6113 1 11 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.309 0.331 17783 6114 1 11 . 1 1 84 84 LEU C C 406 174.599 174.599 175.724 -1.125 17783 6115 1 11 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.206 -0.911 17783 6116 1 11 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.261 -0.552 17783 6117 1 11 . 1 1 84 84 LEU H H 406 7.478 7.478 7.762 -0.284 17783 6118 1 11 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.528 -0.035 17783 6119 1 11 . 1 1 85 85 PRO C C 407 177.743 177.743 177.271 0.472 17783 6120 1 11 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.213 0.931 17783 6121 1 11 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.493 0.428 17783 6122 1 11 . 1 1 86 86 ALA N N 408 128.809 128.809 122.925 5.884 17783 6123 1 11 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.019 -0.073 17783 6124 1 11 . 1 1 86 86 ALA C C 408 180.517 180.517 179.369 1.148 17783 6125 1 11 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.738 0.767 17783 6126 1 11 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.155 0.190 17783 6127 1 11 . 1 1 86 86 ALA H H 408 9.168 9.168 8.646 0.522 17783 6128 1 11 . 1 1 87 87 ASP N N 409 116.520 116.520 118.535 -2.015 17783 6129 1 11 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.449 0.013 17783 6130 1 11 . 1 1 87 87 ASP C C 409 178.081 178.081 177.516 0.565 17783 6131 1 11 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.083 -0.148 17783 6132 1 11 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.413 -0.054 17783 6133 1 11 . 1 1 87 87 ASP H H 409 9.359 9.359 8.505 0.854 17783 6134 1 11 . 1 1 88 88 VAL N N 410 117.452 117.452 118.591 -1.139 17783 6135 1 11 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.134 -0.045 17783 6136 1 11 . 1 1 88 88 VAL C C 410 178.675 178.675 177.981 0.694 17783 6137 1 11 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.569 -0.694 17783 6138 1 11 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.414 -1.129 17783 6139 1 11 . 1 1 88 88 VAL H H 410 7.355 7.355 7.407 -0.052 17783 6140 1 11 . 1 1 89 89 GLN N N 411 119.387 119.387 120.521 -1.134 17783 6141 1 11 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.152 -0.508 17783 6142 1 11 . 1 1 89 89 GLN C C 411 179.168 179.168 178.180 0.988 17783 6143 1 11 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.497 2.215 17783 6144 1 11 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.746 -0.236 17783 6145 1 11 . 1 1 89 89 GLN H H 411 8.271 8.271 8.302 -0.031 17783 6146 1 11 . 1 1 90 90 ALA N N 412 118.634 118.634 122.340 -3.706 17783 6147 1 11 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.274 -0.009 17783 6148 1 11 . 1 1 90 90 ALA C C 412 177.949 177.949 178.328 -0.379 17783 6149 1 11 . 1 1 90 90 ALA CA C 412 53.941 53.941 53.839 0.102 17783 6150 1 11 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.456 -0.129 17783 6151 1 11 . 1 1 90 90 ALA H H 412 7.794 7.794 8.596 -0.802 17783 6152 1 11 . 1 1 91 91 LYS N N 413 115.842 115.842 118.344 -2.502 17783 6153 1 11 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.287 0.045 17783 6154 1 11 . 1 1 91 91 LYS C C 413 175.829 175.829 176.507 -0.678 17783 6155 1 11 . 1 1 91 91 LYS CA C 413 55.370 55.370 54.999 0.371 17783 6156 1 11 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.431 -0.947 17783 6157 1 11 . 1 1 91 91 LYS H H 413 7.398 7.398 7.470 -0.072 17783 6158 1 11 . 1 1 92 92 ASN N N 414 113.776 113.776 117.543 -3.767 17783 6159 1 11 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.481 0.055 17783 6160 1 11 . 1 1 92 92 ASN C C 414 171.075 171.075 173.215 -2.140 17783 6161 1 11 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.239 0.824 17783 6162 1 11 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.919 0.162 17783 6163 1 11 . 1 1 92 92 ASN H H 414 8.178 8.178 7.863 0.315 17783 6164 1 11 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.635 0.367 17783 6165 1 11 . 1 1 93 93 PRO C C 415 175.682 175.682 176.206 -0.524 17783 6166 1 11 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.497 -0.007 17783 6167 1 11 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.192 1.393 17783 6168 1 11 . 1 1 94 94 TRP N N 416 117.925 117.925 120.512 -2.587 17783 6169 1 11 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.935 0.082 17783 6170 1 11 . 1 1 94 94 TRP C C 416 173.607 173.607 174.811 -1.204 17783 6171 1 11 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.826 -0.831 17783 6172 1 11 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.039 1.468 17783 6173 1 11 . 1 1 94 94 TRP H H 416 7.921 7.921 8.151 -0.230 17783 6174 1 11 . 1 1 95 95 ALA N N 417 123.924 123.924 126.436 -2.512 17783 6175 1 11 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.193 0.562 17783 6176 1 11 . 1 1 95 95 ALA C C 417 174.171 174.171 175.745 -1.574 17783 6177 1 11 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.346 -0.709 17783 6178 1 11 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.841 -0.373 17783 6179 1 11 . 1 1 95 95 ALA H H 417 8.878 8.878 8.224 0.654 17783 6180 1 11 . 1 1 96 96 LYS N N 418 129.441 129.441 121.072 8.369 17783 6181 1 11 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.628 0.393 17783 6182 1 11 . 1 1 96 96 LYS C C 418 173.451 173.451 173.870 -0.419 17783 6183 1 11 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.800 -1.236 17783 6184 1 11 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.584 3.399 17783 6185 1 11 . 1 1 96 96 LYS H H 418 9.235 9.235 8.402 0.833 17783 6186 1 11 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.309 -0.545 17783 6187 1 11 . 1 1 97 97 PRO C C 419 178.893 178.893 177.837 1.056 17783 6188 1 11 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.766 0.129 17783 6189 1 11 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.467 0.253 17783 6190 1 11 . 1 1 98 98 LEU N N 420 126.746 126.746 122.293 4.453 17783 6191 1 11 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.111 -0.308 17783 6192 1 11 . 1 1 98 98 LEU C C 420 179.040 179.040 178.692 0.348 17783 6193 1 11 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.436 0.932 17783 6194 1 11 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.930 -1.989 17783 6195 1 11 . 1 1 98 98 LEU H H 420 9.179 9.179 8.436 0.743 17783 6196 1 11 . 1 1 99 99 ARG N N 421 118.262 118.262 117.889 0.373 17783 6197 1 11 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.810 0.249 17783 6198 1 11 . 1 1 99 99 ARG C C 421 178.140 178.140 177.653 0.487 17783 6199 1 11 . 1 1 99 99 ARG CA C 421 59.093 59.093 59.064 0.029 17783 6200 1 11 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.761 0.195 17783 6201 1 11 . 1 1 99 99 ARG H H 421 8.014 8.014 8.561 -0.547 17783 6202 1 11 . 1 1 100 100 GLN N N 422 116.539 116.539 116.837 -0.298 17783 6203 1 11 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.184 0.026 17783 6204 1 11 . 1 1 100 100 GLN C C 422 177.594 177.594 178.031 -0.437 17783 6205 1 11 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.288 -0.555 17783 6206 1 11 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.028 0.150 17783 6207 1 11 . 1 1 100 100 GLN H H 422 7.258 7.258 7.519 -0.261 17783 6208 1 11 . 1 1 101 101 VAL N N 423 119.665 119.665 121.166 -1.501 17783 6209 1 11 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.854 -0.306 17783 6210 1 11 . 1 1 101 101 VAL C C 423 177.040 177.040 178.322 -1.282 17783 6211 1 11 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.776 -0.329 17783 6212 1 11 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.683 1.870 17783 6213 1 11 . 1 1 101 101 VAL H H 423 7.090 7.090 7.910 -0.820 17783 6214 1 11 . 1 1 102 102 GLN N N 424 115.032 115.032 117.197 -2.165 17783 6215 1 11 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.890 -0.325 17783 6216 1 11 . 1 1 102 102 GLN C C 424 177.994 177.994 177.562 0.432 17783 6217 1 11 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.124 0.759 17783 6218 1 11 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.708 -0.648 17783 6219 1 11 . 1 1 102 102 GLN H H 424 8.553 8.553 7.816 0.737 17783 6220 1 11 . 1 1 103 103 ALA N N 425 120.742 120.742 121.877 -1.135 17783 6221 1 11 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.105 0.053 17783 6222 1 11 . 1 1 103 103 ALA C C 425 178.545 178.545 178.816 -0.271 17783 6223 1 11 . 1 1 103 103 ALA CA C 425 54.275 54.275 55.130 -0.855 17783 6224 1 11 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.358 -0.036 17783 6225 1 11 . 1 1 103 103 ALA H H 425 7.366 7.366 8.210 -0.844 17783 6226 1 11 . 1 1 104 104 ASP N N 426 117.066 117.066 118.680 -1.614 17783 6227 1 11 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.462 0.246 17783 6228 1 11 . 1 1 104 104 ASP C C 426 176.876 176.876 178.322 -1.446 17783 6229 1 11 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.964 -0.741 17783 6230 1 11 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.444 2.056 17783 6231 1 11 . 1 1 104 104 ASP H H 426 7.628 7.628 7.912 -0.284 17783 6232 1 11 . 1 1 105 105 LEU N N 427 119.853 119.853 121.345 -1.492 17783 6233 1 11 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.301 -0.002 17783 6234 1 11 . 1 1 105 105 LEU C C 427 176.118 176.118 176.073 0.045 17783 6235 1 11 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.139 0.847 17783 6236 1 11 . 1 1 105 105 LEU CB C 427 42.078 42.078 41.030 1.048 17783 6237 1 11 . 1 1 105 105 LEU H H 427 7.242 7.242 7.893 -0.651 17783 6238 1 12 . 1 1 2 2 ARG N N 324 121.883 121.883 119.203 2.680 17783 6239 1 12 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.448 -0.104 17783 6240 1 12 . 1 1 2 2 ARG C C 324 176.887 176.887 176.075 0.812 17783 6241 1 12 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.324 0.181 17783 6242 1 12 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.464 0.270 17783 6243 1 12 . 1 1 2 2 ARG H H 324 8.373 8.373 8.234 0.139 17783 6244 1 12 . 1 1 3 3 GLY N N 325 111.231 111.231 110.282 0.949 17783 6245 1 12 . 1 1 3 3 GLY C C 325 174.037 174.037 173.621 0.416 17783 6246 1 12 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.583 0.645 17783 6247 1 12 . 1 1 3 3 GLY H H 325 8.683 8.683 7.642 1.041 17783 6248 1 12 . 1 1 4 4 SER N N 326 115.541 115.541 116.043 -0.502 17783 6249 1 12 . 1 1 4 4 SER HA H 326 4.377 4.377 4.020 0.357 17783 6250 1 12 . 1 1 4 4 SER C C 326 174.454 174.454 173.845 0.609 17783 6251 1 12 . 1 1 4 4 SER CA C 326 58.315 58.315 58.696 -0.381 17783 6252 1 12 . 1 1 4 4 SER CB C 326 63.902 63.902 62.848 1.054 17783 6253 1 12 . 1 1 4 4 SER H H 326 8.237 8.237 8.248 -0.011 17783 6254 1 12 . 1 1 10 10 HIS HA H 332 4.580 4.580 3.852 0.728 17783 6255 1 12 . 1 1 10 10 HIS C C 332 175.292 175.292 176.083 -0.791 17783 6256 1 12 . 1 1 10 10 HIS CA C 332 55.946 55.946 57.263 -1.317 17783 6257 1 12 . 1 1 10 10 HIS CB C 332 30.123 30.123 28.451 1.672 17783 6258 1 12 . 1 1 11 11 GLY N N 333 110.527 110.527 109.124 1.403 17783 6259 1 12 . 1 1 11 11 GLY C C 333 174.126 174.126 173.492 0.634 17783 6260 1 12 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.998 0.329 17783 6261 1 12 . 1 1 11 11 GLY H H 333 8.540 8.540 8.381 0.159 17783 6262 1 12 . 1 1 12 12 SER N N 334 115.752 115.752 114.160 1.592 17783 6263 1 12 . 1 1 12 12 SER HA H 334 4.436 4.436 3.621 0.815 17783 6264 1 12 . 1 1 12 12 SER C C 334 174.538 174.538 172.990 1.548 17783 6265 1 12 . 1 1 12 12 SER CA C 334 58.486 58.486 59.484 -0.998 17783 6266 1 12 . 1 1 12 12 SER CB C 334 63.927 63.927 62.593 1.333 17783 6267 1 12 . 1 1 12 12 SER H H 334 8.356 8.356 6.105 2.251 17783 6268 1 12 . 1 1 13 13 ASN N N 335 120.410 120.410 119.739 0.671 17783 6269 1 12 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.662 0.067 17783 6270 1 12 . 1 1 13 13 ASN C C 335 175.116 175.116 174.279 0.837 17783 6271 1 12 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.014 0.372 17783 6272 1 12 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.762 -0.094 17783 6273 1 12 . 1 1 13 13 ASN H H 335 8.575 8.575 8.375 0.200 17783 6274 1 12 . 1 1 14 14 ASN N N 336 119.094 119.094 119.636 -0.542 17783 6275 1 12 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.390 0.339 17783 6276 1 12 . 1 1 14 14 ASN C C 336 175.395 175.395 174.104 1.291 17783 6277 1 12 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.500 -0.115 17783 6278 1 12 . 1 1 14 14 ASN CB C 336 38.669 38.669 37.819 0.850 17783 6279 1 12 . 1 1 14 14 ASN H H 336 8.447 8.447 8.557 -0.110 17783 6280 1 12 . 1 1 15 15 ASN N N 337 118.915 118.915 118.597 0.318 17783 6281 1 12 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.729 -0.195 17783 6282 1 12 . 1 1 15 15 ASN C C 337 176.390 176.390 175.664 0.726 17783 6283 1 12 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.645 0.346 17783 6284 1 12 . 1 1 15 15 ASN CB C 337 38.621 38.621 38.906 -0.285 17783 6285 1 12 . 1 1 15 15 ASN H H 337 8.446 8.446 8.446 -0.000 17783 6286 1 12 . 1 1 16 16 GLY N N 338 108.851 108.851 108.906 -0.055 17783 6287 1 12 . 1 1 16 16 GLY C C 338 175.459 175.459 174.818 0.641 17783 6288 1 12 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.426 1.326 17783 6289 1 12 . 1 1 16 16 GLY H H 338 8.454 8.454 8.631 -0.177 17783 6290 1 12 . 1 1 17 17 SER N N 339 116.218 116.218 115.120 1.098 17783 6291 1 12 . 1 1 17 17 SER HA H 339 4.229 4.229 4.373 -0.144 17783 6292 1 12 . 1 1 17 17 SER C C 339 175.869 175.869 175.368 0.501 17783 6293 1 12 . 1 1 17 17 SER CA C 339 59.759 59.759 59.638 0.121 17783 6294 1 12 . 1 1 17 17 SER CB C 339 62.973 62.973 63.144 -0.171 17783 6295 1 12 . 1 1 17 17 SER H H 339 8.170 8.170 8.309 -0.139 17783 6296 1 12 . 1 1 18 18 LEU N N 340 121.515 121.515 122.396 -0.881 17783 6297 1 12 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.230 -0.228 17783 6298 1 12 . 1 1 18 18 LEU C C 340 178.399 178.399 178.098 0.301 17783 6299 1 12 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.956 0.195 17783 6300 1 12 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.633 0.443 17783 6301 1 12 . 1 1 18 18 LEU H H 340 7.790 7.790 7.680 0.110 17783 6302 1 12 . 1 1 19 19 LYS N N 341 117.145 117.145 117.735 -0.590 17783 6303 1 12 . 1 1 19 19 LYS HA H 341 3.808 3.808 3.997 -0.189 17783 6304 1 12 . 1 1 19 19 LYS C C 341 176.960 176.960 178.146 -1.186 17783 6305 1 12 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.437 0.755 17783 6306 1 12 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.104 0.689 17783 6307 1 12 . 1 1 19 19 LYS H H 341 7.893 7.893 8.293 -0.400 17783 6308 1 12 . 1 1 20 20 SER N N 342 110.377 110.377 115.709 -5.332 17783 6309 1 12 . 1 1 20 20 SER HA H 342 4.369 4.369 4.356 0.013 17783 6310 1 12 . 1 1 20 20 SER C C 342 173.735 173.735 173.202 0.533 17783 6311 1 12 . 1 1 20 20 SER CA C 342 58.141 58.141 58.462 -0.321 17783 6312 1 12 . 1 1 20 20 SER CB C 342 63.900 63.900 61.969 1.931 17783 6313 1 12 . 1 1 20 20 SER H H 342 7.546 7.546 7.946 -0.400 17783 6314 1 12 . 1 1 21 21 ALA N N 343 125.662 125.662 124.079 1.583 17783 6315 1 12 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.578 -0.216 17783 6316 1 12 . 1 1 21 21 ALA C C 343 174.051 174.051 174.600 -0.549 17783 6317 1 12 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.870 0.702 17783 6318 1 12 . 1 1 21 21 ALA CB C 343 18.134 18.134 20.073 -1.939 17783 6319 1 12 . 1 1 21 21 ALA H H 343 6.852 6.852 7.700 -0.848 17783 6320 1 12 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.375 -0.137 17783 6321 1 12 . 1 1 22 22 PRO C C 344 178.184 178.184 176.294 1.890 17783 6322 1 12 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.595 0.487 17783 6323 1 12 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.997 0.607 17783 6324 1 12 . 1 1 23 23 SER N N 345 118.662 118.662 120.517 -1.855 17783 6325 1 12 . 1 1 23 23 SER HA H 345 3.825 3.825 4.270 -0.445 17783 6326 1 12 . 1 1 23 23 SER C C 345 174.231 174.231 174.889 -0.658 17783 6327 1 12 . 1 1 23 23 SER CA C 345 60.892 60.892 59.369 1.523 17783 6328 1 12 . 1 1 23 23 SER CB C 345 63.223 63.223 62.894 0.329 17783 6329 1 12 . 1 1 23 23 SER H H 345 8.566 8.566 8.274 0.292 17783 6330 1 12 . 1 1 24 24 SER N N 346 111.938 111.938 115.019 -3.081 17783 6331 1 12 . 1 1 24 24 SER HA H 346 4.383 4.383 4.444 -0.061 17783 6332 1 12 . 1 1 24 24 SER C C 346 175.152 175.152 174.973 0.179 17783 6333 1 12 . 1 1 24 24 SER CA C 346 58.247 58.247 59.053 -0.806 17783 6334 1 12 . 1 1 24 24 SER CB C 346 63.958 63.958 63.397 0.561 17783 6335 1 12 . 1 1 24 24 SER H H 346 7.675 7.675 8.115 -0.440 17783 6336 1 12 . 1 1 25 25 HIS N N 347 122.882 122.882 121.203 1.679 17783 6337 1 12 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.705 0.145 17783 6338 1 12 . 1 1 25 25 HIS C C 347 173.574 173.574 174.930 -1.356 17783 6339 1 12 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.919 0.156 17783 6340 1 12 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.713 1.135 17783 6341 1 12 . 1 1 25 25 HIS H H 347 7.628 7.628 7.274 0.354 17783 6342 1 12 . 1 1 26 26 TYR N N 348 117.921 117.921 120.695 -2.774 17783 6343 1 12 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.692 0.297 17783 6344 1 12 . 1 1 26 26 TYR C C 348 174.086 174.086 175.285 -1.199 17783 6345 1 12 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.564 0.623 17783 6346 1 12 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.950 1.884 17783 6347 1 12 . 1 1 26 26 TYR H H 348 9.606 9.606 8.480 1.126 17783 6348 1 12 . 1 1 27 27 THR N N 349 115.914 115.914 115.118 0.796 17783 6349 1 12 . 1 1 27 27 THR HA H 349 5.027 5.027 4.721 0.306 17783 6350 1 12 . 1 1 27 27 THR C C 349 172.904 172.904 173.590 -0.686 17783 6351 1 12 . 1 1 27 27 THR CA C 349 58.835 58.835 61.335 -2.500 17783 6352 1 12 . 1 1 27 27 THR CB C 349 70.587 70.587 69.073 1.514 17783 6353 1 12 . 1 1 27 27 THR H H 349 8.974 8.974 8.247 0.727 17783 6354 1 12 . 1 1 28 28 LEU N N 350 123.392 123.392 126.525 -3.133 17783 6355 1 12 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.188 0.801 17783 6356 1 12 . 1 1 28 28 LEU C C 350 176.111 176.111 175.864 0.247 17783 6357 1 12 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.721 -2.623 17783 6358 1 12 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.414 2.456 17783 6359 1 12 . 1 1 28 28 LEU H H 350 8.249 8.249 8.488 -0.239 17783 6360 1 12 . 1 1 29 29 GLN N N 351 122.797 122.797 115.911 6.886 17783 6361 1 12 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.931 -0.378 17783 6362 1 12 . 1 1 29 29 GLN C C 351 175.435 175.435 176.324 -0.889 17783 6363 1 12 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.657 1.286 17783 6364 1 12 . 1 1 29 29 GLN CB C 351 27.231 27.231 31.761 -4.530 17783 6365 1 12 . 1 1 29 29 GLN H H 351 8.915 8.915 8.057 0.858 17783 6366 1 12 . 1 1 30 30 LEU N N 352 125.239 125.239 126.253 -1.014 17783 6367 1 12 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.521 -0.154 17783 6368 1 12 . 1 1 30 30 LEU C C 352 177.250 177.250 176.918 0.332 17783 6369 1 12 . 1 1 30 30 LEU CA C 352 56.101 56.101 56.864 -0.763 17783 6370 1 12 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.075 0.025 17783 6371 1 12 . 1 1 30 30 LEU H H 352 8.920 8.920 8.449 0.471 17783 6372 1 12 . 1 1 31 31 SER N N 353 106.816 106.816 109.708 -2.892 17783 6373 1 12 . 1 1 31 31 SER HA H 353 4.493 4.493 4.545 -0.052 17783 6374 1 12 . 1 1 31 31 SER C C 353 171.831 171.831 172.379 -0.548 17783 6375 1 12 . 1 1 31 31 SER CA C 353 57.160 57.160 57.795 -0.635 17783 6376 1 12 . 1 1 31 31 SER CB C 353 64.360 64.360 64.412 -0.052 17783 6377 1 12 . 1 1 31 31 SER H H 353 7.548 7.548 8.124 -0.576 17783 6378 1 12 . 1 1 32 32 SER N N 354 113.518 113.518 114.381 -0.863 17783 6379 1 12 . 1 1 32 32 SER HA H 354 5.026 5.026 4.345 0.681 17783 6380 1 12 . 1 1 32 32 SER C C 354 172.512 172.512 171.113 1.399 17783 6381 1 12 . 1 1 32 32 SER CA C 354 57.285 57.285 57.117 0.168 17783 6382 1 12 . 1 1 32 32 SER CB C 354 65.347 65.347 64.458 0.889 17783 6383 1 12 . 1 1 32 32 SER H H 354 8.127 8.127 8.184 -0.057 17783 6384 1 12 . 1 1 33 33 SER N N 355 114.624 114.624 116.243 -1.619 17783 6385 1 12 . 1 1 33 33 SER HA H 355 4.106 4.106 4.216 -0.110 17783 6386 1 12 . 1 1 33 33 SER C C 355 171.639 171.639 172.071 -0.432 17783 6387 1 12 . 1 1 33 33 SER CA C 355 57.276 57.276 57.253 0.023 17783 6388 1 12 . 1 1 33 33 SER CB C 355 64.539 64.539 64.325 0.214 17783 6389 1 12 . 1 1 33 33 SER H H 355 8.616 8.616 5.980 2.636 17783 6390 1 12 . 1 1 34 34 SER N N 356 116.467 116.467 116.276 0.191 17783 6391 1 12 . 1 1 34 34 SER HA H 356 4.241 4.241 4.960 -0.719 17783 6392 1 12 . 1 1 34 34 SER C C 356 173.820 173.820 172.891 0.929 17783 6393 1 12 . 1 1 34 34 SER CA C 356 59.074 59.074 57.928 1.146 17783 6394 1 12 . 1 1 34 34 SER CB C 356 63.741 63.741 63.294 0.447 17783 6395 1 12 . 1 1 34 34 SER H H 356 8.132 8.132 8.361 -0.229 17783 6396 1 12 . 1 1 35 35 ASN N N 357 122.206 122.206 118.769 3.437 17783 6397 1 12 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.054 -0.133 17783 6398 1 12 . 1 1 35 35 ASN C C 357 172.965 172.965 173.738 -0.773 17783 6399 1 12 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.451 -1.004 17783 6400 1 12 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.508 0.417 17783 6401 1 12 . 1 1 35 35 ASN H H 357 8.511 8.511 8.162 0.349 17783 6402 1 12 . 1 1 36 36 TYR N N 358 127.519 127.519 125.175 2.344 17783 6403 1 12 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.983 -1.011 17783 6404 1 12 . 1 1 36 36 TYR C C 358 176.522 176.522 176.220 0.302 17783 6405 1 12 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.843 0.126 17783 6406 1 12 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.347 -0.636 17783 6407 1 12 . 1 1 36 36 TYR H H 358 8.002 8.002 8.864 -0.862 17783 6408 1 12 . 1 1 37 37 ASP N N 359 118.658 118.658 118.771 -0.113 17783 6409 1 12 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.378 -0.234 17783 6410 1 12 . 1 1 37 37 ASP C C 359 179.804 179.804 178.351 1.453 17783 6411 1 12 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.168 -0.665 17783 6412 1 12 . 1 1 37 37 ASP CB C 359 40.178 40.178 39.366 0.812 17783 6413 1 12 . 1 1 37 37 ASP H H 359 8.033 8.033 8.923 -0.890 17783 6414 1 12 . 1 1 38 38 ASN N N 360 119.802 119.802 117.899 1.903 17783 6415 1 12 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.496 -0.193 17783 6416 1 12 . 1 1 38 38 ASN C C 360 177.720 177.720 177.476 0.244 17783 6417 1 12 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.627 -0.177 17783 6418 1 12 . 1 1 38 38 ASN CB C 360 37.763 37.763 37.486 0.277 17783 6419 1 12 . 1 1 38 38 ASN H H 360 8.380 8.380 8.625 -0.245 17783 6420 1 12 . 1 1 39 39 LEU N N 361 121.625 121.625 122.030 -0.405 17783 6421 1 12 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.181 -0.084 17783 6422 1 12 . 1 1 39 39 LEU C C 361 177.738 177.738 177.910 -0.172 17783 6423 1 12 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.489 0.076 17783 6424 1 12 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.856 0.872 17783 6425 1 12 . 1 1 39 39 LEU H H 361 7.243 7.243 7.422 -0.179 17783 6426 1 12 . 1 1 40 40 ASN N N 362 116.601 116.601 117.176 -0.575 17783 6427 1 12 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.148 -0.003 17783 6428 1 12 . 1 1 40 40 ASN C C 362 177.253 177.253 177.367 -0.114 17783 6429 1 12 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.938 -0.411 17783 6430 1 12 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.379 0.947 17783 6431 1 12 . 1 1 40 40 ASN H H 362 8.284 8.284 8.630 -0.346 17783 6432 1 12 . 1 1 41 41 GLY N N 363 104.958 104.958 108.057 -3.099 17783 6433 1 12 . 1 1 41 41 GLY C C 363 176.323 176.323 175.778 0.545 17783 6434 1 12 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.581 0.258 17783 6435 1 12 . 1 1 41 41 GLY H H 363 8.334 8.334 7.606 0.728 17783 6436 1 12 . 1 1 42 42 TRP N N 364 125.066 125.066 124.607 0.459 17783 6437 1 12 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.130 0.096 17783 6438 1 12 . 1 1 42 42 TRP C C 364 176.509 176.509 177.937 -1.428 17783 6439 1 12 . 1 1 42 42 TRP CA C 364 61.489 61.489 61.603 -0.114 17783 6440 1 12 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.290 -1.414 17783 6441 1 12 . 1 1 42 42 TRP H H 364 7.833 7.833 7.761 0.072 17783 6442 1 12 . 1 1 43 43 ALA N N 365 120.030 120.030 120.134 -0.104 17783 6443 1 12 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.586 -0.592 17783 6444 1 12 . 1 1 43 43 ALA C C 365 179.186 179.186 179.638 -0.452 17783 6445 1 12 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.166 -0.166 17783 6446 1 12 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.248 -1.161 17783 6447 1 12 . 1 1 43 43 ALA H H 365 7.701 7.701 8.574 -0.873 17783 6448 1 12 . 1 1 44 44 LYS N N 366 115.064 115.064 116.463 -1.399 17783 6449 1 12 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.016 0.017 17783 6450 1 12 . 1 1 44 44 LYS C C 366 180.830 180.830 178.875 1.955 17783 6451 1 12 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.563 0.428 17783 6452 1 12 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.381 -0.031 17783 6453 1 12 . 1 1 44 44 LYS H H 366 7.562 7.562 7.702 -0.140 17783 6454 1 12 . 1 1 45 45 LYS N N 367 123.180 123.180 120.753 2.427 17783 6455 1 12 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.029 -0.122 17783 6456 1 12 . 1 1 45 45 LYS C C 367 178.319 178.319 178.362 -0.043 17783 6457 1 12 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.834 0.210 17783 6458 1 12 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.487 -0.421 17783 6459 1 12 . 1 1 45 45 LYS H H 367 8.067 8.067 7.993 0.074 17783 6460 1 12 . 1 1 46 46 GLU N N 368 114.882 114.882 114.866 0.016 17783 6461 1 12 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.053 -0.136 17783 6462 1 12 . 1 1 46 46 GLU C C 368 174.639 174.639 175.603 -0.964 17783 6463 1 12 . 1 1 46 46 GLU CA C 368 55.016 55.016 57.194 -2.179 17783 6464 1 12 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.667 -1.990 17783 6465 1 12 . 1 1 46 46 GLU H H 368 7.488 7.488 7.467 0.021 17783 6466 1 12 . 1 1 47 47 ASN N N 369 114.944 114.944 116.559 -1.615 17783 6467 1 12 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.263 0.009 17783 6468 1 12 . 1 1 47 47 ASN C C 369 174.759 174.759 174.391 0.368 17783 6469 1 12 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.300 0.404 17783 6470 1 12 . 1 1 47 47 ASN CB C 369 37.059 37.059 37.212 -0.153 17783 6471 1 12 . 1 1 47 47 ASN H H 369 7.772 7.772 7.547 0.225 17783 6472 1 12 . 1 1 48 48 LEU N N 370 116.008 116.008 120.275 -4.267 17783 6473 1 12 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.919 0.201 17783 6474 1 12 . 1 1 48 48 LEU C C 370 177.056 177.056 176.443 0.613 17783 6475 1 12 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.601 -0.483 17783 6476 1 12 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.804 1.113 17783 6477 1 12 . 1 1 48 48 LEU H H 370 7.463 7.463 7.385 0.078 17783 6478 1 12 . 1 1 49 49 LYS N N 371 120.012 120.012 123.228 -3.216 17783 6479 1 12 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.125 0.435 17783 6480 1 12 . 1 1 49 49 LYS C C 371 176.481 176.481 176.610 -0.129 17783 6481 1 12 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.474 -0.145 17783 6482 1 12 . 1 1 49 49 LYS CB C 371 34.555 34.555 32.731 1.824 17783 6483 1 12 . 1 1 49 49 LYS H H 371 8.518 8.518 8.061 0.457 17783 6484 1 12 . 1 1 50 50 ASN N N 372 117.610 117.610 119.399 -1.789 17783 6485 1 12 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.467 0.047 17783 6486 1 12 . 1 1 50 50 ASN C C 372 173.445 173.445 173.688 -0.243 17783 6487 1 12 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.465 -1.028 17783 6488 1 12 . 1 1 50 50 ASN CB C 372 37.932 37.932 37.153 0.779 17783 6489 1 12 . 1 1 50 50 ASN H H 372 8.734 8.734 8.490 0.244 17783 6490 1 12 . 1 1 51 51 TYR N N 373 117.151 117.151 118.421 -1.270 17783 6491 1 12 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.986 0.409 17783 6492 1 12 . 1 1 51 51 TYR C C 373 173.549 173.549 173.869 -0.320 17783 6493 1 12 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.033 -0.251 17783 6494 1 12 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.282 0.129 17783 6495 1 12 . 1 1 51 51 TYR H H 373 7.570 7.570 8.087 -0.517 17783 6496 1 12 . 1 1 52 52 VAL N N 374 120.887 120.887 121.471 -0.584 17783 6497 1 12 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.119 0.179 17783 6498 1 12 . 1 1 52 52 VAL C C 374 174.289 174.289 174.828 -0.539 17783 6499 1 12 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.640 0.074 17783 6500 1 12 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.600 1.984 17783 6501 1 12 . 1 1 52 52 VAL H H 374 9.140 9.140 8.633 0.507 17783 6502 1 12 . 1 1 53 53 VAL N N 375 126.060 126.060 126.721 -0.661 17783 6503 1 12 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.116 1.299 17783 6504 1 12 . 1 1 53 53 VAL C C 375 175.803 175.803 175.705 0.098 17783 6505 1 12 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.610 -1.954 17783 6506 1 12 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.625 1.111 17783 6507 1 12 . 1 1 53 53 VAL H H 375 8.600 8.600 8.179 0.421 17783 6508 1 12 . 1 1 54 54 TYR N N 376 125.706 125.706 123.754 1.952 17783 6509 1 12 . 1 1 54 54 TYR HA H 376 5.422 5.422 4.910 0.512 17783 6510 1 12 . 1 1 54 54 TYR C C 376 172.139 172.139 173.444 -1.305 17783 6511 1 12 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.928 -0.799 17783 6512 1 12 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.392 1.266 17783 6513 1 12 . 1 1 54 54 TYR H H 376 9.292 9.292 8.278 1.014 17783 6514 1 12 . 1 1 55 55 GLU N N 377 122.063 122.063 119.101 2.962 17783 6515 1 12 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.125 0.589 17783 6516 1 12 . 1 1 55 55 GLU C C 377 175.011 175.011 175.225 -0.214 17783 6517 1 12 . 1 1 55 55 GLU CA C 377 55.143 55.143 54.252 0.891 17783 6518 1 12 . 1 1 55 55 GLU CB C 377 32.659 32.659 31.815 0.844 17783 6519 1 12 . 1 1 55 55 GLU H H 377 8.758 8.758 8.345 0.413 17783 6520 1 12 . 1 1 56 56 THR N N 378 122.855 122.855 113.639 9.216 17783 6521 1 12 . 1 1 56 56 THR HA H 378 4.848 4.848 4.562 0.286 17783 6522 1 12 . 1 1 56 56 THR C C 378 173.550 173.550 172.695 0.855 17783 6523 1 12 . 1 1 56 56 THR CA C 378 58.732 58.732 60.512 -1.780 17783 6524 1 12 . 1 1 56 56 THR CB C 378 70.181 70.181 70.013 0.168 17783 6525 1 12 . 1 1 56 56 THR H H 378 9.160 9.160 8.448 0.712 17783 6526 1 12 . 1 1 57 57 THR N N 379 116.629 116.629 113.580 3.049 17783 6527 1 12 . 1 1 57 57 THR HA H 379 5.145 5.145 4.682 0.463 17783 6528 1 12 . 1 1 57 57 THR C C 379 173.973 173.973 173.593 0.380 17783 6529 1 12 . 1 1 57 57 THR CA C 379 60.517 60.517 61.094 -0.577 17783 6530 1 12 . 1 1 57 57 THR CB C 379 71.582 71.582 69.461 2.121 17783 6531 1 12 . 1 1 57 57 THR H H 379 8.677 8.677 8.200 0.477 17783 6532 1 12 . 1 1 58 58 ARG N N 380 124.546 124.546 127.679 -3.133 17783 6533 1 12 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.604 -0.296 17783 6534 1 12 . 1 1 58 58 ARG C C 380 176.074 176.074 175.641 0.433 17783 6535 1 12 . 1 1 58 58 ARG CA C 380 55.510 55.510 55.328 0.182 17783 6536 1 12 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.661 0.812 17783 6537 1 12 . 1 1 58 58 ARG H H 380 9.117 9.117 8.045 1.072 17783 6538 1 12 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.515 -0.209 17783 6539 1 12 . 1 1 59 59 ASN C C 381 175.444 175.444 175.626 -0.182 17783 6540 1 12 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.575 0.662 17783 6541 1 12 . 1 1 59 59 ASN CB C 381 37.213 37.213 36.686 0.527 17783 6542 1 12 . 1 1 60 60 GLY N N 382 103.015 103.015 103.826 -0.811 17783 6543 1 12 . 1 1 60 60 GLY C C 382 173.488 173.488 174.061 -0.573 17783 6544 1 12 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.083 -0.610 17783 6545 1 12 . 1 1 60 60 GLY H H 382 8.639 8.639 8.723 -0.085 17783 6546 1 12 . 1 1 61 61 GLN N N 383 119.903 119.903 119.423 0.480 17783 6547 1 12 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.720 0.280 17783 6548 1 12 . 1 1 61 61 GLN C C 383 172.730 172.730 173.717 -0.987 17783 6549 1 12 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.269 0.422 17783 6550 1 12 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.085 0.626 17783 6551 1 12 . 1 1 61 61 GLN H H 383 7.697 7.697 7.446 0.251 17783 6552 1 12 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.439 0.175 17783 6553 1 12 . 1 1 62 62 PRO C C 384 175.576 175.576 175.527 0.049 17783 6554 1 12 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.082 0.920 17783 6555 1 12 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.944 0.601 17783 6556 1 12 . 1 1 63 63 TRP N N 385 126.621 126.621 125.348 1.273 17783 6557 1 12 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.846 -0.335 17783 6558 1 12 . 1 1 63 63 TRP C C 385 172.096 172.096 173.039 -0.943 17783 6559 1 12 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.668 0.414 17783 6560 1 12 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.203 0.971 17783 6561 1 12 . 1 1 63 63 TRP H H 385 8.063 8.063 7.916 0.147 17783 6562 1 12 . 1 1 64 64 TYR N N 386 124.129 124.129 121.858 2.271 17783 6563 1 12 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.171 1.047 17783 6564 1 12 . 1 1 64 64 TYR C C 386 173.544 173.544 173.690 -0.146 17783 6565 1 12 . 1 1 64 64 TYR CA C 386 56.769 56.769 55.336 1.433 17783 6566 1 12 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.918 3.515 17783 6567 1 12 . 1 1 64 64 TYR H H 386 7.954 7.954 7.616 0.338 17783 6568 1 12 . 1 1 65 65 VAL N N 387 121.167 121.167 121.278 -0.111 17783 6569 1 12 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.285 -0.422 17783 6570 1 12 . 1 1 65 65 VAL C C 387 172.675 172.675 174.873 -2.198 17783 6571 1 12 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.606 0.651 17783 6572 1 12 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.234 0.899 17783 6573 1 12 . 1 1 65 65 VAL H H 387 8.409 8.409 7.163 1.246 17783 6574 1 12 . 1 1 66 66 LEU N N 388 127.479 127.479 128.359 -0.880 17783 6575 1 12 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.677 0.746 17783 6576 1 12 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.656 -0.160 17783 6577 1 12 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.017 1.738 17783 6578 1 12 . 1 1 66 66 LEU H H 388 8.200 8.200 8.618 -0.418 17783 6579 1 12 . 1 1 67 67 VAL N N 389 120.778 120.778 117.188 3.590 17783 6580 1 12 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.634 1.206 17783 6581 1 12 . 1 1 67 67 VAL C C 389 174.934 174.934 175.312 -0.378 17783 6582 1 12 . 1 1 67 67 VAL CA C 389 57.827 57.827 59.863 -2.036 17783 6583 1 12 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.763 -1.070 17783 6584 1 12 . 1 1 67 67 VAL H H 389 9.314 9.314 8.322 0.992 17783 6585 1 12 . 1 1 68 68 SER N N 390 113.588 113.588 119.667 -6.079 17783 6586 1 12 . 1 1 68 68 SER HA H 390 4.850 4.850 4.730 0.120 17783 6587 1 12 . 1 1 68 68 SER C C 390 174.691 174.691 175.520 -0.829 17783 6588 1 12 . 1 1 68 68 SER CA C 390 58.213 58.213 56.728 1.485 17783 6589 1 12 . 1 1 68 68 SER CB C 390 66.007 66.007 62.984 3.023 17783 6590 1 12 . 1 1 68 68 SER H H 390 8.803 8.803 8.496 0.307 17783 6591 1 12 . 1 1 69 69 GLY N N 391 115.161 115.161 116.905 -1.744 17783 6592 1 12 . 1 1 69 69 GLY C C 391 172.208 172.208 172.852 -0.644 17783 6593 1 12 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.652 -1.327 17783 6594 1 12 . 1 1 69 69 GLY H H 391 8.436 8.436 8.606 -0.170 17783 6595 1 12 . 1 1 70 70 VAL N N 392 117.033 117.033 116.672 0.361 17783 6596 1 12 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.701 -0.221 17783 6597 1 12 . 1 1 70 70 VAL C C 392 174.635 174.635 174.008 0.627 17783 6598 1 12 . 1 1 70 70 VAL CA C 392 62.203 62.203 59.574 2.629 17783 6599 1 12 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.541 -0.304 17783 6600 1 12 . 1 1 70 70 VAL H H 392 7.188 7.188 7.472 -0.284 17783 6601 1 12 . 1 1 71 71 TYR N N 393 124.867 124.867 122.462 2.405 17783 6602 1 12 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.755 0.046 17783 6603 1 12 . 1 1 71 71 TYR C C 393 175.550 175.550 176.705 -1.155 17783 6604 1 12 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.763 -1.478 17783 6605 1 12 . 1 1 71 71 TYR CB C 393 42.543 42.543 40.449 2.094 17783 6606 1 12 . 1 1 71 71 TYR H H 393 9.517 9.517 8.070 1.447 17783 6607 1 12 . 1 1 72 72 ALA N N 394 124.217 124.217 126.010 -1.793 17783 6608 1 12 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.823 -1.052 17783 6609 1 12 . 1 1 72 72 ALA C C 394 175.911 175.911 177.886 -1.975 17783 6610 1 12 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.839 -1.582 17783 6611 1 12 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.578 0.443 17783 6612 1 12 . 1 1 72 72 ALA H H 394 8.984 8.984 8.733 0.251 17783 6613 1 12 . 1 1 73 73 SER N N 395 106.325 106.325 108.860 -2.535 17783 6614 1 12 . 1 1 73 73 SER HA H 395 4.769 4.769 4.669 0.100 17783 6615 1 12 . 1 1 73 73 SER C C 395 173.686 173.686 174.542 -0.856 17783 6616 1 12 . 1 1 73 73 SER CA C 395 56.031 56.031 56.369 -0.338 17783 6617 1 12 . 1 1 73 73 SER CB C 395 66.773 66.773 64.823 1.950 17783 6618 1 12 . 1 1 73 73 SER H H 395 7.251 7.251 7.594 -0.343 17783 6619 1 12 . 1 1 74 74 LYS N N 396 123.531 123.531 120.069 3.462 17783 6620 1 12 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.770 -0.876 17783 6621 1 12 . 1 1 74 74 LYS C C 396 178.040 178.040 178.074 -0.034 17783 6622 1 12 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.250 1.293 17783 6623 1 12 . 1 1 74 74 LYS CB C 396 31.636 31.636 32.213 -0.577 17783 6624 1 12 . 1 1 74 74 LYS H H 396 8.742 8.742 8.342 0.400 17783 6625 1 12 . 1 1 75 75 GLU N N 397 118.740 118.740 118.958 -0.218 17783 6626 1 12 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.937 -0.123 17783 6627 1 12 . 1 1 75 75 GLU C C 397 179.136 179.136 179.404 -0.268 17783 6628 1 12 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.206 0.871 17783 6629 1 12 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.121 -0.373 17783 6630 1 12 . 1 1 75 75 GLU H H 397 8.529 8.529 8.049 0.480 17783 6631 1 12 . 1 1 76 76 GLU N N 398 119.987 119.987 118.274 1.713 17783 6632 1 12 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.077 -0.242 17783 6633 1 12 . 1 1 76 76 GLU C C 398 178.564 178.564 178.045 0.519 17783 6634 1 12 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.447 0.915 17783 6635 1 12 . 1 1 76 76 GLU CB C 398 30.431 30.431 28.768 1.663 17783 6636 1 12 . 1 1 76 76 GLU H H 398 7.804 7.804 7.939 -0.135 17783 6637 1 12 . 1 1 77 77 ALA N N 399 122.630 122.630 120.317 2.313 17783 6638 1 12 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.700 -1.112 17783 6639 1 12 . 1 1 77 77 ALA C C 399 177.764 177.764 178.232 -0.468 17783 6640 1 12 . 1 1 77 77 ALA CA C 399 54.361 54.361 52.714 1.647 17783 6641 1 12 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.478 -0.813 17783 6642 1 12 . 1 1 77 77 ALA H H 399 7.294 7.294 7.411 -0.117 17783 6643 1 12 . 1 1 78 78 LYS N N 400 115.403 115.403 120.468 -5.065 17783 6644 1 12 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.933 -0.163 17783 6645 1 12 . 1 1 78 78 LYS C C 400 180.700 180.700 178.448 2.252 17783 6646 1 12 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.281 0.261 17783 6647 1 12 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.212 -0.379 17783 6648 1 12 . 1 1 78 78 LYS H H 400 8.001 8.001 8.001 0.000 17783 6649 1 12 . 1 1 79 79 LYS N N 401 119.756 119.756 119.855 -0.099 17783 6650 1 12 . 1 1 79 79 LYS HA H 401 3.969 3.969 3.994 -0.025 17783 6651 1 12 . 1 1 79 79 LYS C C 401 178.347 178.347 178.836 -0.489 17783 6652 1 12 . 1 1 79 79 LYS CA C 401 58.976 58.976 59.113 -0.137 17783 6653 1 12 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.198 0.100 17783 6654 1 12 . 1 1 79 79 LYS H H 401 7.788 7.788 8.054 -0.266 17783 6655 1 12 . 1 1 80 80 ALA N N 402 120.725 120.725 122.162 -1.437 17783 6656 1 12 . 1 1 80 80 ALA HA H 402 4.143 4.143 3.961 0.182 17783 6657 1 12 . 1 1 80 80 ALA C C 402 180.118 180.118 179.552 0.566 17783 6658 1 12 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.770 -0.998 17783 6659 1 12 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.699 0.770 17783 6660 1 12 . 1 1 80 80 ALA H H 402 7.334 7.334 7.683 -0.349 17783 6661 1 12 . 1 1 81 81 VAL N N 403 120.431 120.431 117.461 2.970 17783 6662 1 12 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.583 -0.221 17783 6663 1 12 . 1 1 81 81 VAL C C 403 177.205 177.205 178.047 -0.842 17783 6664 1 12 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.493 1.234 17783 6665 1 12 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.482 0.251 17783 6666 1 12 . 1 1 81 81 VAL H H 403 7.480 7.480 7.733 -0.253 17783 6667 1 12 . 1 1 82 82 SER N N 404 110.126 110.126 112.337 -2.211 17783 6668 1 12 . 1 1 82 82 SER HA H 404 4.143 4.143 4.330 -0.187 17783 6669 1 12 . 1 1 82 82 SER C C 404 174.813 174.813 175.165 -0.352 17783 6670 1 12 . 1 1 82 82 SER CA C 404 60.751 60.751 59.586 1.165 17783 6671 1 12 . 1 1 82 82 SER CB C 404 63.287 63.287 62.431 0.856 17783 6672 1 12 . 1 1 82 82 SER H H 404 7.326 7.326 8.391 -1.065 17783 6673 1 12 . 1 1 83 83 THR N N 405 110.438 110.438 115.685 -5.247 17783 6674 1 12 . 1 1 83 83 THR HA H 405 4.461 4.461 4.385 0.076 17783 6675 1 12 . 1 1 83 83 THR C C 405 175.081 175.081 175.194 -0.113 17783 6676 1 12 . 1 1 83 83 THR CA C 405 61.761 61.761 62.308 -0.547 17783 6677 1 12 . 1 1 83 83 THR CB C 405 69.795 69.795 69.818 -0.023 17783 6678 1 12 . 1 1 83 83 THR H H 405 7.634 7.634 7.776 -0.142 17783 6679 1 12 . 1 1 84 84 LEU N N 406 123.244 123.244 124.022 -0.778 17783 6680 1 12 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.386 0.254 17783 6681 1 12 . 1 1 84 84 LEU C C 406 174.599 174.599 175.125 -0.526 17783 6682 1 12 . 1 1 84 84 LEU CA C 406 53.295 53.295 53.991 -0.696 17783 6683 1 12 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.416 -0.707 17783 6684 1 12 . 1 1 84 84 LEU H H 406 7.478 7.478 7.469 0.009 17783 6685 1 12 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.520 -0.027 17783 6686 1 12 . 1 1 85 85 PRO C C 407 177.743 177.743 177.383 0.360 17783 6687 1 12 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.263 0.881 17783 6688 1 12 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.483 0.438 17783 6689 1 12 . 1 1 86 86 ALA N N 408 128.809 128.809 123.670 5.139 17783 6690 1 12 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.007 -0.061 17783 6691 1 12 . 1 1 86 86 ALA C C 408 180.517 180.517 179.196 1.321 17783 6692 1 12 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.802 0.703 17783 6693 1 12 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.076 0.268 17783 6694 1 12 . 1 1 86 86 ALA H H 408 9.168 9.168 8.664 0.504 17783 6695 1 12 . 1 1 87 87 ASP N N 409 116.520 116.520 118.287 -1.767 17783 6696 1 12 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.413 0.049 17783 6697 1 12 . 1 1 87 87 ASP C C 409 178.081 178.081 177.855 0.226 17783 6698 1 12 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.054 -0.119 17783 6699 1 12 . 1 1 87 87 ASP CB C 409 40.359 40.359 39.618 0.741 17783 6700 1 12 . 1 1 87 87 ASP H H 409 9.359 9.359 8.824 0.535 17783 6701 1 12 . 1 1 88 88 VAL N N 410 117.452 117.452 117.663 -0.211 17783 6702 1 12 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.333 -0.244 17783 6703 1 12 . 1 1 88 88 VAL C C 410 178.675 178.675 178.577 0.098 17783 6704 1 12 . 1 1 88 88 VAL CA C 410 64.875 64.875 64.942 -0.067 17783 6705 1 12 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.468 -1.183 17783 6706 1 12 . 1 1 88 88 VAL H H 410 7.355 7.355 7.382 -0.027 17783 6707 1 12 . 1 1 89 89 GLN N N 411 119.387 119.387 120.371 -0.984 17783 6708 1 12 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.043 -0.399 17783 6709 1 12 . 1 1 89 89 GLN C C 411 179.168 179.168 178.239 0.929 17783 6710 1 12 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.514 2.199 17783 6711 1 12 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.613 -0.103 17783 6712 1 12 . 1 1 89 89 GLN H H 411 8.271 8.271 8.672 -0.401 17783 6713 1 12 . 1 1 90 90 ALA N N 412 118.634 118.634 122.855 -4.221 17783 6714 1 12 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.239 0.026 17783 6715 1 12 . 1 1 90 90 ALA C C 412 177.949 177.949 178.510 -0.561 17783 6716 1 12 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.193 -0.252 17783 6717 1 12 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.583 -0.256 17783 6718 1 12 . 1 1 90 90 ALA H H 412 7.794 7.794 8.648 -0.854 17783 6719 1 12 . 1 1 91 91 LYS N N 413 115.842 115.842 118.442 -2.600 17783 6720 1 12 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.240 0.092 17783 6721 1 12 . 1 1 91 91 LYS C C 413 175.829 175.829 175.746 0.083 17783 6722 1 12 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.022 0.348 17783 6723 1 12 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.053 -0.569 17783 6724 1 12 . 1 1 91 91 LYS H H 413 7.398 7.398 7.474 -0.076 17783 6725 1 12 . 1 1 92 92 ASN N N 414 113.776 113.776 117.551 -3.775 17783 6726 1 12 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.543 -0.007 17783 6727 1 12 . 1 1 92 92 ASN C C 414 171.075 171.075 173.520 -2.445 17783 6728 1 12 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.667 0.396 17783 6729 1 12 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.775 0.306 17783 6730 1 12 . 1 1 92 92 ASN H H 414 8.178 8.178 7.749 0.429 17783 6731 1 12 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.478 0.524 17783 6732 1 12 . 1 1 93 93 PRO C C 415 175.682 175.682 176.374 -0.692 17783 6733 1 12 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.764 -0.274 17783 6734 1 12 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.242 1.343 17783 6735 1 12 . 1 1 94 94 TRP N N 416 117.925 117.925 122.638 -4.713 17783 6736 1 12 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.954 0.063 17783 6737 1 12 . 1 1 94 94 TRP C C 416 173.607 173.607 174.300 -0.693 17783 6738 1 12 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.744 -0.749 17783 6739 1 12 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.769 1.738 17783 6740 1 12 . 1 1 94 94 TRP H H 416 7.921 7.921 8.245 -0.324 17783 6741 1 12 . 1 1 95 95 ALA N N 417 123.924 123.924 125.885 -1.961 17783 6742 1 12 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.038 0.717 17783 6743 1 12 . 1 1 95 95 ALA C C 417 174.171 174.171 176.204 -2.033 17783 6744 1 12 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.445 -0.808 17783 6745 1 12 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.485 -0.017 17783 6746 1 12 . 1 1 95 95 ALA H H 417 8.878 8.878 8.269 0.609 17783 6747 1 12 . 1 1 96 96 LYS N N 418 129.441 129.441 121.119 8.322 17783 6748 1 12 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.165 0.856 17783 6749 1 12 . 1 1 96 96 LYS C C 418 173.451 173.451 173.712 -0.261 17783 6750 1 12 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.379 -0.815 17783 6751 1 12 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.958 4.025 17783 6752 1 12 . 1 1 96 96 LYS H H 418 9.235 9.235 8.324 0.911 17783 6753 1 12 . 1 1 97 97 PRO HA H 419 3.764 3.764 3.572 0.192 17783 6754 1 12 . 1 1 97 97 PRO C C 419 178.893 178.893 177.234 1.659 17783 6755 1 12 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.035 -0.140 17783 6756 1 12 . 1 1 97 97 PRO CB C 419 32.720 32.720 31.597 1.123 17783 6757 1 12 . 1 1 98 98 LEU N N 420 126.746 126.746 127.340 -0.594 17783 6758 1 12 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.810 -0.007 17783 6759 1 12 . 1 1 98 98 LEU C C 420 179.040 179.040 178.202 0.838 17783 6760 1 12 . 1 1 98 98 LEU CA C 420 57.368 57.368 58.008 -0.640 17783 6761 1 12 . 1 1 98 98 LEU CB C 420 39.941 39.941 42.106 -2.165 17783 6762 1 12 . 1 1 98 98 LEU H H 420 9.179 9.179 7.824 1.355 17783 6763 1 12 . 1 1 99 99 ARG N N 421 118.262 118.262 118.453 -0.191 17783 6764 1 12 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.888 0.171 17783 6765 1 12 . 1 1 99 99 ARG C C 421 178.140 178.140 177.966 0.174 17783 6766 1 12 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.452 0.641 17783 6767 1 12 . 1 1 99 99 ARG CB C 421 29.956 29.956 28.881 1.075 17783 6768 1 12 . 1 1 99 99 ARG H H 421 8.014 8.014 8.121 -0.107 17783 6769 1 12 . 1 1 100 100 GLN N N 422 116.539 116.539 117.043 -0.504 17783 6770 1 12 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.178 0.032 17783 6771 1 12 . 1 1 100 100 GLN C C 422 177.594 177.594 178.241 -0.647 17783 6772 1 12 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.082 -0.349 17783 6773 1 12 . 1 1 100 100 GLN CB C 422 29.178 29.178 28.882 0.296 17783 6774 1 12 . 1 1 100 100 GLN H H 422 7.258 7.258 8.278 -1.020 17783 6775 1 12 . 1 1 101 101 VAL N N 423 119.665 119.665 120.105 -0.440 17783 6776 1 12 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.681 -0.133 17783 6777 1 12 . 1 1 101 101 VAL C C 423 177.040 177.040 178.113 -1.073 17783 6778 1 12 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.927 -0.480 17783 6779 1 12 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.640 1.913 17783 6780 1 12 . 1 1 101 101 VAL H H 423 7.090 7.090 7.941 -0.851 17783 6781 1 12 . 1 1 102 102 GLN N N 424 115.032 115.032 118.080 -3.048 17783 6782 1 12 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.944 -0.379 17783 6783 1 12 . 1 1 102 102 GLN C C 424 177.994 177.994 177.466 0.528 17783 6784 1 12 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.077 0.806 17783 6785 1 12 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.296 -0.236 17783 6786 1 12 . 1 1 102 102 GLN H H 424 8.553 8.553 7.616 0.937 17783 6787 1 12 . 1 1 103 103 ALA N N 425 120.742 120.742 123.002 -2.260 17783 6788 1 12 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.039 0.119 17783 6789 1 12 . 1 1 103 103 ALA C C 425 178.545 178.545 179.631 -1.086 17783 6790 1 12 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.727 -0.452 17783 6791 1 12 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.656 -0.334 17783 6792 1 12 . 1 1 103 103 ALA H H 425 7.366 7.366 8.323 -0.957 17783 6793 1 12 . 1 1 104 104 ASP N N 426 117.066 117.066 119.629 -2.563 17783 6794 1 12 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.474 0.234 17783 6795 1 12 . 1 1 104 104 ASP C C 426 176.876 176.876 177.745 -0.869 17783 6796 1 12 . 1 1 104 104 ASP CA C 426 55.223 55.223 56.329 -1.106 17783 6797 1 12 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.989 1.511 17783 6798 1 12 . 1 1 104 104 ASP H H 426 7.628 7.628 7.747 -0.119 17783 6799 1 12 . 1 1 105 105 LEU N N 427 119.853 119.853 118.836 1.017 17783 6800 1 12 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.342 -0.043 17783 6801 1 12 . 1 1 105 105 LEU C C 427 176.118 176.118 175.625 0.493 17783 6802 1 12 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.915 0.071 17783 6803 1 12 . 1 1 105 105 LEU CB C 427 42.078 42.078 40.611 1.467 17783 6804 1 12 . 1 1 105 105 LEU H H 427 7.242 7.242 7.532 -0.290 17783 6805 1 13 . 1 1 2 2 ARG N N 324 121.883 121.883 122.449 -0.566 17783 6806 1 13 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.206 0.138 17783 6807 1 13 . 1 1 2 2 ARG C C 324 176.887 176.887 175.868 1.019 17783 6808 1 13 . 1 1 2 2 ARG CA C 324 56.505 56.505 57.869 -1.364 17783 6809 1 13 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.382 0.352 17783 6810 1 13 . 1 1 2 2 ARG H H 324 8.373 8.373 8.564 -0.191 17783 6811 1 13 . 1 1 3 3 GLY N N 325 111.231 111.231 106.396 4.835 17783 6812 1 13 . 1 1 3 3 GLY C C 325 174.037 174.037 172.866 1.171 17783 6813 1 13 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.499 0.729 17783 6814 1 13 . 1 1 3 3 GLY H H 325 8.683 8.683 8.178 0.505 17783 6815 1 13 . 1 1 4 4 SER N N 326 115.541 115.541 115.559 -0.018 17783 6816 1 13 . 1 1 4 4 SER HA H 326 4.377 4.377 4.189 0.188 17783 6817 1 13 . 1 1 4 4 SER C C 326 174.454 174.454 173.287 1.167 17783 6818 1 13 . 1 1 4 4 SER CA C 326 58.315 58.315 58.387 -0.072 17783 6819 1 13 . 1 1 4 4 SER CB C 326 63.902 63.902 62.239 1.663 17783 6820 1 13 . 1 1 4 4 SER H H 326 8.237 8.237 8.318 -0.081 17783 6821 1 13 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.176 0.404 17783 6822 1 13 . 1 1 10 10 HIS C C 332 175.292 175.292 174.638 0.654 17783 6823 1 13 . 1 1 10 10 HIS CA C 332 55.946 55.946 55.246 0.700 17783 6824 1 13 . 1 1 10 10 HIS CB C 332 30.123 30.123 28.626 1.497 17783 6825 1 13 . 1 1 11 11 GLY N N 333 110.527 110.527 109.653 0.874 17783 6826 1 13 . 1 1 11 11 GLY C C 333 174.126 174.126 174.369 -0.243 17783 6827 1 13 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.530 0.797 17783 6828 1 13 . 1 1 11 11 GLY H H 333 8.540 8.540 8.323 0.217 17783 6829 1 13 . 1 1 12 12 SER N N 334 115.752 115.752 118.224 -2.472 17783 6830 1 13 . 1 1 12 12 SER HA H 334 4.436 4.436 3.908 0.528 17783 6831 1 13 . 1 1 12 12 SER C C 334 174.538 174.538 175.197 -0.659 17783 6832 1 13 . 1 1 12 12 SER CA C 334 58.486 58.486 57.971 0.515 17783 6833 1 13 . 1 1 12 12 SER CB C 334 63.927 63.927 63.300 0.627 17783 6834 1 13 . 1 1 12 12 SER H H 334 8.356 8.356 7.879 0.477 17783 6835 1 13 . 1 1 13 13 ASN N N 335 120.410 120.410 125.954 -5.544 17783 6836 1 13 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.557 0.172 17783 6837 1 13 . 1 1 13 13 ASN C C 335 175.116 175.116 174.354 0.762 17783 6838 1 13 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.179 0.207 17783 6839 1 13 . 1 1 13 13 ASN CB C 335 38.668 38.668 37.551 1.117 17783 6840 1 13 . 1 1 13 13 ASN H H 335 8.575 8.575 8.554 0.021 17783 6841 1 13 . 1 1 14 14 ASN N N 336 119.094 119.094 120.767 -1.673 17783 6842 1 13 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.579 0.150 17783 6843 1 13 . 1 1 14 14 ASN C C 336 175.395 175.395 174.395 1.000 17783 6844 1 13 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.795 -0.411 17783 6845 1 13 . 1 1 14 14 ASN CB C 336 38.669 38.669 39.169 -0.500 17783 6846 1 13 . 1 1 14 14 ASN H H 336 8.447 8.447 8.120 0.327 17783 6847 1 13 . 1 1 15 15 ASN N N 337 118.915 118.915 120.899 -1.984 17783 6848 1 13 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.889 -0.355 17783 6849 1 13 . 1 1 15 15 ASN C C 337 176.390 176.390 173.773 2.617 17783 6850 1 13 . 1 1 15 15 ASN CA C 337 53.991 53.991 52.913 1.078 17783 6851 1 13 . 1 1 15 15 ASN CB C 337 38.621 38.621 40.084 -1.463 17783 6852 1 13 . 1 1 15 15 ASN H H 337 8.446 8.446 8.409 0.037 17783 6853 1 13 . 1 1 16 16 GLY N N 338 108.851 108.851 109.786 -0.935 17783 6854 1 13 . 1 1 16 16 GLY C C 338 175.459 175.459 175.459 0.000 17783 6855 1 13 . 1 1 16 16 GLY CA C 338 46.752 46.752 46.007 0.745 17783 6856 1 13 . 1 1 16 16 GLY H H 338 8.454 8.454 8.342 0.112 17783 6857 1 13 . 1 1 17 17 SER N N 339 116.218 116.218 118.191 -1.973 17783 6858 1 13 . 1 1 17 17 SER HA H 339 4.229 4.229 4.583 -0.354 17783 6859 1 13 . 1 1 17 17 SER C C 339 175.869 175.869 176.164 -0.295 17783 6860 1 13 . 1 1 17 17 SER CA C 339 59.759 59.759 59.019 0.740 17783 6861 1 13 . 1 1 17 17 SER CB C 339 62.973 62.973 62.954 0.019 17783 6862 1 13 . 1 1 17 17 SER H H 339 8.170 8.170 8.457 -0.287 17783 6863 1 13 . 1 1 18 18 LEU N N 340 121.515 121.515 123.037 -1.522 17783 6864 1 13 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.114 -0.112 17783 6865 1 13 . 1 1 18 18 LEU C C 340 178.399 178.399 178.308 0.091 17783 6866 1 13 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.793 0.358 17783 6867 1 13 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.475 0.601 17783 6868 1 13 . 1 1 18 18 LEU H H 340 7.790 7.790 8.108 -0.318 17783 6869 1 13 . 1 1 19 19 LYS N N 341 117.145 117.145 117.036 0.109 17783 6870 1 13 . 1 1 19 19 LYS HA H 341 3.808 3.808 3.974 -0.166 17783 6871 1 13 . 1 1 19 19 LYS C C 341 176.960 176.960 177.209 -0.249 17783 6872 1 13 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.353 0.839 17783 6873 1 13 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.008 0.785 17783 6874 1 13 . 1 1 19 19 LYS H H 341 7.893 7.893 7.601 0.292 17783 6875 1 13 . 1 1 20 20 SER N N 342 110.377 110.377 113.482 -3.105 17783 6876 1 13 . 1 1 20 20 SER HA H 342 4.369 4.369 4.199 0.170 17783 6877 1 13 . 1 1 20 20 SER C C 342 173.735 173.735 175.095 -1.360 17783 6878 1 13 . 1 1 20 20 SER CA C 342 58.141 58.141 59.531 -1.390 17783 6879 1 13 . 1 1 20 20 SER CB C 342 63.900 63.900 62.845 1.055 17783 6880 1 13 . 1 1 20 20 SER H H 342 7.546 7.546 7.489 0.057 17783 6881 1 13 . 1 1 21 21 ALA N N 343 125.662 125.662 125.622 0.040 17783 6882 1 13 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.451 -0.089 17783 6883 1 13 . 1 1 21 21 ALA C C 343 174.051 174.051 175.736 -1.685 17783 6884 1 13 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.979 0.593 17783 6885 1 13 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.939 -0.805 17783 6886 1 13 . 1 1 21 21 ALA H H 343 6.852 6.852 7.415 -0.563 17783 6887 1 13 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.373 -0.135 17783 6888 1 13 . 1 1 22 22 PRO C C 344 178.184 178.184 176.342 1.842 17783 6889 1 13 . 1 1 22 22 PRO CA C 344 63.082 63.082 63.007 0.075 17783 6890 1 13 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.737 0.867 17783 6891 1 13 . 1 1 23 23 SER N N 345 118.662 118.662 118.603 0.059 17783 6892 1 13 . 1 1 23 23 SER HA H 345 3.825 3.825 4.267 -0.442 17783 6893 1 13 . 1 1 23 23 SER C C 345 174.231 174.231 174.831 -0.600 17783 6894 1 13 . 1 1 23 23 SER CA C 345 60.892 60.892 58.630 2.262 17783 6895 1 13 . 1 1 23 23 SER CB C 345 63.223 63.223 63.236 -0.013 17783 6896 1 13 . 1 1 23 23 SER H H 345 8.566 8.566 8.047 0.519 17783 6897 1 13 . 1 1 24 24 SER N N 346 111.938 111.938 115.264 -3.326 17783 6898 1 13 . 1 1 24 24 SER HA H 346 4.383 4.383 4.414 -0.031 17783 6899 1 13 . 1 1 24 24 SER C C 346 175.152 175.152 174.415 0.737 17783 6900 1 13 . 1 1 24 24 SER CA C 346 58.247 58.247 59.377 -1.130 17783 6901 1 13 . 1 1 24 24 SER CB C 346 63.958 63.958 63.125 0.833 17783 6902 1 13 . 1 1 24 24 SER H H 346 7.675 7.675 7.699 -0.024 17783 6903 1 13 . 1 1 25 25 HIS N N 347 122.882 122.882 121.237 1.645 17783 6904 1 13 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.877 -0.027 17783 6905 1 13 . 1 1 25 25 HIS C C 347 173.574 173.574 174.760 -1.186 17783 6906 1 13 . 1 1 25 25 HIS CA C 347 56.075 56.075 54.994 1.081 17783 6907 1 13 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.978 0.870 17783 6908 1 13 . 1 1 25 25 HIS H H 347 7.628 7.628 7.193 0.435 17783 6909 1 13 . 1 1 26 26 TYR N N 348 117.921 117.921 123.366 -5.445 17783 6910 1 13 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.743 0.246 17783 6911 1 13 . 1 1 26 26 TYR C C 348 174.086 174.086 175.209 -1.123 17783 6912 1 13 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.773 -0.586 17783 6913 1 13 . 1 1 26 26 TYR CB C 348 43.834 43.834 40.789 3.045 17783 6914 1 13 . 1 1 26 26 TYR H H 348 9.606 9.606 8.248 1.358 17783 6915 1 13 . 1 1 27 27 THR N N 349 115.914 115.914 109.726 6.188 17783 6916 1 13 . 1 1 27 27 THR HA H 349 5.027 5.027 4.786 0.241 17783 6917 1 13 . 1 1 27 27 THR C C 349 172.904 172.904 172.604 0.300 17783 6918 1 13 . 1 1 27 27 THR CA C 349 58.835 58.835 60.897 -2.062 17783 6919 1 13 . 1 1 27 27 THR CB C 349 70.587 70.587 71.796 -1.209 17783 6920 1 13 . 1 1 27 27 THR H H 349 8.974 8.974 8.103 0.871 17783 6921 1 13 . 1 1 28 28 LEU N N 350 123.392 123.392 118.598 4.794 17783 6922 1 13 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.645 0.344 17783 6923 1 13 . 1 1 28 28 LEU C C 350 176.111 176.111 175.300 0.811 17783 6924 1 13 . 1 1 28 28 LEU CA C 350 53.098 53.098 53.434 -0.335 17783 6925 1 13 . 1 1 28 28 LEU CB C 350 44.870 44.870 46.361 -1.491 17783 6926 1 13 . 1 1 28 28 LEU H H 350 8.249 8.249 8.608 -0.359 17783 6927 1 13 . 1 1 29 29 GLN N N 351 122.797 122.797 118.969 3.828 17783 6928 1 13 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.674 -0.121 17783 6929 1 13 . 1 1 29 29 GLN C C 351 175.435 175.435 175.229 0.206 17783 6930 1 13 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.837 1.106 17783 6931 1 13 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.702 -3.471 17783 6932 1 13 . 1 1 29 29 GLN H H 351 8.915 8.915 8.241 0.674 17783 6933 1 13 . 1 1 30 30 LEU N N 352 125.239 125.239 126.776 -1.537 17783 6934 1 13 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.401 -0.034 17783 6935 1 13 . 1 1 30 30 LEU C C 352 177.250 177.250 176.350 0.900 17783 6936 1 13 . 1 1 30 30 LEU CA C 352 56.101 56.101 57.256 -1.155 17783 6937 1 13 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.099 0.001 17783 6938 1 13 . 1 1 30 30 LEU H H 352 8.920 8.920 8.417 0.503 17783 6939 1 13 . 1 1 31 31 SER N N 353 106.816 106.816 108.217 -1.401 17783 6940 1 13 . 1 1 31 31 SER HA H 353 4.493 4.493 4.588 -0.095 17783 6941 1 13 . 1 1 31 31 SER C C 353 171.831 171.831 172.475 -0.644 17783 6942 1 13 . 1 1 31 31 SER CA C 353 57.160 57.160 57.852 -0.692 17783 6943 1 13 . 1 1 31 31 SER CB C 353 64.360 64.360 65.395 -1.035 17783 6944 1 13 . 1 1 31 31 SER H H 353 7.548 7.548 7.911 -0.363 17783 6945 1 13 . 1 1 32 32 SER N N 354 113.518 113.518 114.545 -1.027 17783 6946 1 13 . 1 1 32 32 SER HA H 354 5.026 5.026 4.255 0.771 17783 6947 1 13 . 1 1 32 32 SER C C 354 172.512 172.512 171.748 0.764 17783 6948 1 13 . 1 1 32 32 SER CA C 354 57.285 57.285 56.632 0.653 17783 6949 1 13 . 1 1 32 32 SER CB C 354 65.347 65.347 64.111 1.236 17783 6950 1 13 . 1 1 32 32 SER H H 354 8.127 8.127 8.170 -0.043 17783 6951 1 13 . 1 1 33 33 SER N N 355 114.624 114.624 116.296 -1.672 17783 6952 1 13 . 1 1 33 33 SER HA H 355 4.106 4.106 4.382 -0.276 17783 6953 1 13 . 1 1 33 33 SER C C 355 171.639 171.639 171.918 -0.279 17783 6954 1 13 . 1 1 33 33 SER CA C 355 57.276 57.276 57.347 -0.071 17783 6955 1 13 . 1 1 33 33 SER CB C 355 64.539 64.539 64.890 -0.351 17783 6956 1 13 . 1 1 33 33 SER H H 355 8.616 8.616 6.181 2.435 17783 6957 1 13 . 1 1 34 34 SER N N 356 116.467 116.467 116.218 0.249 17783 6958 1 13 . 1 1 34 34 SER HA H 356 4.241 4.241 4.810 -0.569 17783 6959 1 13 . 1 1 34 34 SER C C 356 173.820 173.820 173.201 0.619 17783 6960 1 13 . 1 1 34 34 SER CA C 356 59.074 59.074 58.329 0.745 17783 6961 1 13 . 1 1 34 34 SER CB C 356 63.741 63.741 63.150 0.591 17783 6962 1 13 . 1 1 34 34 SER H H 356 8.132 8.132 8.498 -0.366 17783 6963 1 13 . 1 1 35 35 ASN N N 357 122.206 122.206 119.252 2.954 17783 6964 1 13 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.005 -0.084 17783 6965 1 13 . 1 1 35 35 ASN C C 357 172.965 172.965 173.701 -0.736 17783 6966 1 13 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.605 -1.158 17783 6967 1 13 . 1 1 35 35 ASN CB C 357 40.925 40.925 39.370 1.555 17783 6968 1 13 . 1 1 35 35 ASN H H 357 8.511 8.511 8.125 0.386 17783 6969 1 13 . 1 1 36 36 TYR N N 358 127.519 127.519 126.362 1.157 17783 6970 1 13 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.080 -1.108 17783 6971 1 13 . 1 1 36 36 TYR C C 358 176.522 176.522 176.478 0.044 17783 6972 1 13 . 1 1 36 36 TYR CA C 358 61.969 61.969 60.994 0.975 17783 6973 1 13 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.704 -0.993 17783 6974 1 13 . 1 1 36 36 TYR H H 358 8.002 8.002 8.933 -0.931 17783 6975 1 13 . 1 1 37 37 ASP N N 359 118.658 118.658 117.816 0.842 17783 6976 1 13 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.431 -0.287 17783 6977 1 13 . 1 1 37 37 ASP C C 359 179.804 179.804 177.251 2.553 17783 6978 1 13 . 1 1 37 37 ASP CA C 359 57.503 57.503 56.966 0.537 17783 6979 1 13 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.434 -0.256 17783 6980 1 13 . 1 1 37 37 ASP H H 359 8.033 8.033 8.497 -0.464 17783 6981 1 13 . 1 1 38 38 ASN N N 360 119.802 119.802 116.350 3.452 17783 6982 1 13 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.730 -0.427 17783 6983 1 13 . 1 1 38 38 ASN C C 360 177.720 177.720 176.688 1.032 17783 6984 1 13 . 1 1 38 38 ASN CA C 360 55.450 55.450 54.307 1.143 17783 6985 1 13 . 1 1 38 38 ASN CB C 360 37.763 37.763 39.577 -1.814 17783 6986 1 13 . 1 1 38 38 ASN H H 360 8.380 8.380 7.581 0.799 17783 6987 1 13 . 1 1 39 39 LEU N N 361 121.625 121.625 122.770 -1.145 17783 6988 1 13 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.229 -0.132 17783 6989 1 13 . 1 1 39 39 LEU C C 361 177.738 177.738 177.104 0.634 17783 6990 1 13 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.643 -0.078 17783 6991 1 13 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.734 0.994 17783 6992 1 13 . 1 1 39 39 LEU H H 361 7.243 7.243 7.643 -0.400 17783 6993 1 13 . 1 1 40 40 ASN N N 362 116.601 116.601 117.758 -1.157 17783 6994 1 13 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.207 -0.062 17783 6995 1 13 . 1 1 40 40 ASN C C 362 177.253 177.253 177.513 -0.260 17783 6996 1 13 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.430 0.097 17783 6997 1 13 . 1 1 40 40 ASN CB C 362 39.326 39.326 36.885 2.441 17783 6998 1 13 . 1 1 40 40 ASN H H 362 8.284 8.284 8.373 -0.089 17783 6999 1 13 . 1 1 41 41 GLY N N 363 104.958 104.958 108.605 -3.647 17783 7000 1 13 . 1 1 41 41 GLY C C 363 176.323 176.323 175.995 0.328 17783 7001 1 13 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.592 0.247 17783 7002 1 13 . 1 1 41 41 GLY H H 363 8.334 8.334 7.640 0.694 17783 7003 1 13 . 1 1 42 42 TRP N N 364 125.066 125.066 124.260 0.806 17783 7004 1 13 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.207 0.019 17783 7005 1 13 . 1 1 42 42 TRP C C 364 176.509 176.509 177.719 -1.210 17783 7006 1 13 . 1 1 42 42 TRP CA C 364 61.489 61.489 61.556 -0.068 17783 7007 1 13 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.329 -1.453 17783 7008 1 13 . 1 1 42 42 TRP H H 364 7.833 7.833 7.655 0.178 17783 7009 1 13 . 1 1 43 43 ALA N N 365 120.030 120.030 120.629 -0.599 17783 7010 1 13 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.563 -0.569 17783 7011 1 13 . 1 1 43 43 ALA C C 365 179.186 179.186 179.488 -0.302 17783 7012 1 13 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.458 -0.457 17783 7013 1 13 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.214 -1.126 17783 7014 1 13 . 1 1 43 43 ALA H H 365 7.701 7.701 8.979 -1.278 17783 7015 1 13 . 1 1 44 44 LYS N N 366 115.064 115.064 115.116 -0.052 17783 7016 1 13 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.066 -0.033 17783 7017 1 13 . 1 1 44 44 LYS C C 366 180.830 180.830 178.608 2.222 17783 7018 1 13 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.175 0.816 17783 7019 1 13 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.443 -0.093 17783 7020 1 13 . 1 1 44 44 LYS H H 366 7.562 7.562 7.834 -0.272 17783 7021 1 13 . 1 1 45 45 LYS N N 367 123.180 123.180 120.980 2.200 17783 7022 1 13 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.007 -0.100 17783 7023 1 13 . 1 1 45 45 LYS C C 367 178.319 178.319 178.276 0.043 17783 7024 1 13 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.733 0.312 17783 7025 1 13 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.255 -0.189 17783 7026 1 13 . 1 1 45 45 LYS H H 367 8.067 8.067 7.758 0.309 17783 7027 1 13 . 1 1 46 46 GLU N N 368 114.882 114.882 115.668 -0.786 17783 7028 1 13 . 1 1 46 46 GLU HA H 368 3.917 3.917 3.974 -0.057 17783 7029 1 13 . 1 1 46 46 GLU C C 368 174.639 174.639 175.715 -1.076 17783 7030 1 13 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.714 -1.698 17783 7031 1 13 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.070 -1.393 17783 7032 1 13 . 1 1 46 46 GLU H H 368 7.488 7.488 7.433 0.055 17783 7033 1 13 . 1 1 47 47 ASN N N 369 114.944 114.944 113.493 1.451 17783 7034 1 13 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.228 0.044 17783 7035 1 13 . 1 1 47 47 ASN C C 369 174.759 174.759 174.362 0.397 17783 7036 1 13 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.779 -0.075 17783 7037 1 13 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.139 0.920 17783 7038 1 13 . 1 1 47 47 ASN H H 369 7.772 7.772 7.636 0.136 17783 7039 1 13 . 1 1 48 48 LEU N N 370 116.008 116.008 119.639 -3.631 17783 7040 1 13 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.797 0.323 17783 7041 1 13 . 1 1 48 48 LEU C C 370 177.056 177.056 176.117 0.939 17783 7042 1 13 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.562 -0.444 17783 7043 1 13 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.192 1.725 17783 7044 1 13 . 1 1 48 48 LEU H H 370 7.463 7.463 7.179 0.284 17783 7045 1 13 . 1 1 49 49 LYS N N 371 120.012 120.012 123.326 -3.314 17783 7046 1 13 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.066 0.494 17783 7047 1 13 . 1 1 49 49 LYS C C 371 176.481 176.481 176.085 0.396 17783 7048 1 13 . 1 1 49 49 LYS CA C 371 55.329 55.329 56.073 -0.744 17783 7049 1 13 . 1 1 49 49 LYS CB C 371 34.555 34.555 32.513 2.042 17783 7050 1 13 . 1 1 49 49 LYS H H 371 8.518 8.518 7.906 0.612 17783 7051 1 13 . 1 1 50 50 ASN N N 372 117.610 117.610 119.435 -1.825 17783 7052 1 13 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.495 0.019 17783 7053 1 13 . 1 1 50 50 ASN C C 372 173.445 173.445 173.956 -0.511 17783 7054 1 13 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.598 -1.161 17783 7055 1 13 . 1 1 50 50 ASN CB C 372 37.932 37.932 37.234 0.698 17783 7056 1 13 . 1 1 50 50 ASN H H 372 8.734 8.734 8.426 0.308 17783 7057 1 13 . 1 1 51 51 TYR N N 373 117.151 117.151 119.192 -2.041 17783 7058 1 13 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.877 0.518 17783 7059 1 13 . 1 1 51 51 TYR C C 373 173.549 173.549 173.714 -0.165 17783 7060 1 13 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.599 0.183 17783 7061 1 13 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.140 0.271 17783 7062 1 13 . 1 1 51 51 TYR H H 373 7.570 7.570 8.083 -0.513 17783 7063 1 13 . 1 1 52 52 VAL N N 374 120.887 120.887 118.330 2.557 17783 7064 1 13 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.298 0.000 17783 7065 1 13 . 1 1 52 52 VAL C C 374 174.289 174.289 174.584 -0.295 17783 7066 1 13 . 1 1 52 52 VAL CA C 374 61.714 61.714 60.761 0.953 17783 7067 1 13 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.377 2.207 17783 7068 1 13 . 1 1 52 52 VAL H H 374 9.140 9.140 8.150 0.990 17783 7069 1 13 . 1 1 53 53 VAL N N 375 126.060 126.060 120.238 5.822 17783 7070 1 13 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.404 1.011 17783 7071 1 13 . 1 1 53 53 VAL C C 375 175.803 175.803 175.375 0.428 17783 7072 1 13 . 1 1 53 53 VAL CA C 375 60.656 60.656 61.506 -0.850 17783 7073 1 13 . 1 1 53 53 VAL CB C 375 32.736 32.736 32.438 0.298 17783 7074 1 13 . 1 1 53 53 VAL H H 375 8.600 8.600 7.998 0.602 17783 7075 1 13 . 1 1 54 54 TYR N N 376 125.706 125.706 122.783 2.923 17783 7076 1 13 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.020 0.402 17783 7077 1 13 . 1 1 54 54 TYR C C 376 172.139 172.139 173.631 -1.492 17783 7078 1 13 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.809 -0.680 17783 7079 1 13 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.270 1.387 17783 7080 1 13 . 1 1 54 54 TYR H H 376 9.292 9.292 7.949 1.343 17783 7081 1 13 . 1 1 55 55 GLU N N 377 122.063 122.063 118.775 3.288 17783 7082 1 13 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.940 0.774 17783 7083 1 13 . 1 1 55 55 GLU C C 377 175.011 175.011 175.520 -0.509 17783 7084 1 13 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.098 0.045 17783 7085 1 13 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.834 1.825 17783 7086 1 13 . 1 1 55 55 GLU H H 377 8.758 8.758 8.614 0.144 17783 7087 1 13 . 1 1 56 56 THR N N 378 122.855 122.855 116.239 6.616 17783 7088 1 13 . 1 1 56 56 THR HA H 378 4.848 4.848 4.692 0.156 17783 7089 1 13 . 1 1 56 56 THR C C 378 173.550 173.550 173.485 0.065 17783 7090 1 13 . 1 1 56 56 THR CA C 378 58.732 58.732 60.939 -2.207 17783 7091 1 13 . 1 1 56 56 THR CB C 378 70.181 70.181 72.067 -1.886 17783 7092 1 13 . 1 1 56 56 THR H H 378 9.160 9.160 8.340 0.820 17783 7093 1 13 . 1 1 57 57 THR N N 379 116.629 116.629 112.647 3.982 17783 7094 1 13 . 1 1 57 57 THR HA H 379 5.145 5.145 4.654 0.491 17783 7095 1 13 . 1 1 57 57 THR C C 379 173.973 173.973 173.359 0.614 17783 7096 1 13 . 1 1 57 57 THR CA C 379 60.517 60.517 60.211 0.306 17783 7097 1 13 . 1 1 57 57 THR CB C 379 71.582 71.582 70.270 1.312 17783 7098 1 13 . 1 1 57 57 THR H H 379 8.677 8.677 8.405 0.272 17783 7099 1 13 . 1 1 58 58 ARG N N 380 124.546 124.546 123.987 0.559 17783 7100 1 13 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.451 -0.143 17783 7101 1 13 . 1 1 58 58 ARG C C 380 176.074 176.074 174.370 1.704 17783 7102 1 13 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.666 -1.156 17783 7103 1 13 . 1 1 58 58 ARG CB C 380 32.473 32.473 30.975 1.498 17783 7104 1 13 . 1 1 58 58 ARG H H 380 9.117 9.117 8.630 0.487 17783 7105 1 13 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.459 -0.153 17783 7106 1 13 . 1 1 59 59 ASN C C 381 175.444 175.444 175.271 0.173 17783 7107 1 13 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.669 0.569 17783 7108 1 13 . 1 1 59 59 ASN CB C 381 37.213 37.213 38.282 -1.069 17783 7109 1 13 . 1 1 60 60 GLY N N 382 103.015 103.015 107.296 -4.281 17783 7110 1 13 . 1 1 60 60 GLY C C 382 173.488 173.488 173.829 -0.341 17783 7111 1 13 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.178 -0.705 17783 7112 1 13 . 1 1 60 60 GLY H H 382 8.639 8.639 8.677 -0.038 17783 7113 1 13 . 1 1 61 61 GLN N N 383 119.903 119.903 118.953 0.950 17783 7114 1 13 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.533 0.467 17783 7115 1 13 . 1 1 61 61 GLN C C 383 172.730 172.730 173.693 -0.963 17783 7116 1 13 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.530 0.161 17783 7117 1 13 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.003 0.708 17783 7118 1 13 . 1 1 61 61 GLN H H 383 7.697 7.697 7.802 -0.105 17783 7119 1 13 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.421 0.193 17783 7120 1 13 . 1 1 62 62 PRO C C 384 175.576 175.576 175.260 0.316 17783 7121 1 13 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.042 0.959 17783 7122 1 13 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.000 0.545 17783 7123 1 13 . 1 1 63 63 TRP N N 385 126.621 126.621 123.666 2.955 17783 7124 1 13 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.850 -0.339 17783 7125 1 13 . 1 1 63 63 TRP C C 385 172.096 172.096 173.240 -1.144 17783 7126 1 13 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.567 0.515 17783 7127 1 13 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.366 0.808 17783 7128 1 13 . 1 1 63 63 TRP H H 385 8.063 8.063 8.858 -0.795 17783 7129 1 13 . 1 1 64 64 TYR N N 386 124.129 124.129 123.120 1.009 17783 7130 1 13 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.250 0.968 17783 7131 1 13 . 1 1 64 64 TYR C C 386 173.544 173.544 173.880 -0.336 17783 7132 1 13 . 1 1 64 64 TYR CA C 386 56.769 56.769 55.916 0.853 17783 7133 1 13 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.775 3.658 17783 7134 1 13 . 1 1 64 64 TYR H H 386 7.954 7.954 7.978 -0.024 17783 7135 1 13 . 1 1 65 65 VAL N N 387 121.167 121.167 120.552 0.615 17783 7136 1 13 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.038 -0.175 17783 7137 1 13 . 1 1 65 65 VAL C C 387 172.675 172.675 174.807 -2.132 17783 7138 1 13 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.444 0.813 17783 7139 1 13 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.466 0.667 17783 7140 1 13 . 1 1 65 65 VAL H H 387 8.409 8.409 6.904 1.505 17783 7141 1 13 . 1 1 66 66 LEU N N 388 127.479 127.479 128.418 -0.939 17783 7142 1 13 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.778 0.645 17783 7143 1 13 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.544 -0.048 17783 7144 1 13 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.361 1.394 17783 7145 1 13 . 1 1 66 66 LEU H H 388 8.200 8.200 8.259 -0.059 17783 7146 1 13 . 1 1 67 67 VAL N N 389 120.778 120.778 119.882 0.896 17783 7147 1 13 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.657 1.183 17783 7148 1 13 . 1 1 67 67 VAL C C 389 174.934 174.934 175.797 -0.863 17783 7149 1 13 . 1 1 67 67 VAL CA C 389 57.827 57.827 59.988 -2.161 17783 7150 1 13 . 1 1 67 67 VAL CB C 389 33.693 33.693 33.697 -0.004 17783 7151 1 13 . 1 1 67 67 VAL H H 389 9.314 9.314 8.534 0.780 17783 7152 1 13 . 1 1 68 68 SER N N 390 113.588 113.588 116.140 -2.552 17783 7153 1 13 . 1 1 68 68 SER HA H 390 4.850 4.850 4.616 0.234 17783 7154 1 13 . 1 1 68 68 SER C C 390 174.691 174.691 174.864 -0.173 17783 7155 1 13 . 1 1 68 68 SER CA C 390 58.213 58.213 57.452 0.761 17783 7156 1 13 . 1 1 68 68 SER CB C 390 66.007 66.007 64.550 1.457 17783 7157 1 13 . 1 1 68 68 SER H H 390 8.803 8.803 8.173 0.630 17783 7158 1 13 . 1 1 69 69 GLY N N 391 115.161 115.161 115.145 0.016 17783 7159 1 13 . 1 1 69 69 GLY C C 391 172.208 172.208 173.204 -0.996 17783 7160 1 13 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.605 -1.280 17783 7161 1 13 . 1 1 69 69 GLY H H 391 8.436 8.436 8.602 -0.166 17783 7162 1 13 . 1 1 70 70 VAL N N 392 117.033 117.033 120.985 -3.952 17783 7163 1 13 . 1 1 70 70 VAL HA H 392 4.480 4.480 3.955 0.525 17783 7164 1 13 . 1 1 70 70 VAL C C 392 174.635 174.635 174.520 0.115 17783 7165 1 13 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.589 0.614 17783 7166 1 13 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.691 0.546 17783 7167 1 13 . 1 1 70 70 VAL H H 392 7.188 7.188 7.796 -0.608 17783 7168 1 13 . 1 1 71 71 TYR N N 393 124.867 124.867 125.696 -0.829 17783 7169 1 13 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.514 0.287 17783 7170 1 13 . 1 1 71 71 TYR C C 393 175.550 175.550 176.866 -1.316 17783 7171 1 13 . 1 1 71 71 TYR CA C 393 56.285 56.285 58.006 -1.721 17783 7172 1 13 . 1 1 71 71 TYR CB C 393 42.543 42.543 38.711 3.832 17783 7173 1 13 . 1 1 71 71 TYR H H 393 9.517 9.517 7.982 1.535 17783 7174 1 13 . 1 1 72 72 ALA N N 394 124.217 124.217 126.399 -2.182 17783 7175 1 13 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.795 -1.024 17783 7176 1 13 . 1 1 72 72 ALA C C 394 175.911 175.911 177.828 -1.917 17783 7177 1 13 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.722 -1.465 17783 7178 1 13 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.617 0.404 17783 7179 1 13 . 1 1 72 72 ALA H H 394 8.984 8.984 8.703 0.281 17783 7180 1 13 . 1 1 73 73 SER N N 395 106.325 106.325 109.775 -3.450 17783 7181 1 13 . 1 1 73 73 SER HA H 395 4.769 4.769 4.763 0.006 17783 7182 1 13 . 1 1 73 73 SER C C 395 173.686 173.686 175.002 -1.316 17783 7183 1 13 . 1 1 73 73 SER CA C 395 56.031 56.031 56.388 -0.357 17783 7184 1 13 . 1 1 73 73 SER CB C 395 66.773 66.773 64.963 1.810 17783 7185 1 13 . 1 1 73 73 SER H H 395 7.251 7.251 7.681 -0.430 17783 7186 1 13 . 1 1 74 74 LYS N N 396 123.531 123.531 121.617 1.914 17783 7187 1 13 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.365 -0.471 17783 7188 1 13 . 1 1 74 74 LYS C C 396 178.040 178.040 177.746 0.294 17783 7189 1 13 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.449 1.094 17783 7190 1 13 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.570 0.066 17783 7191 1 13 . 1 1 74 74 LYS H H 396 8.742 8.742 8.276 0.466 17783 7192 1 13 . 1 1 75 75 GLU N N 397 118.740 118.740 119.962 -1.222 17783 7193 1 13 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.882 -0.068 17783 7194 1 13 . 1 1 75 75 GLU C C 397 179.136 179.136 178.378 0.758 17783 7195 1 13 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.650 0.427 17783 7196 1 13 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.330 -0.582 17783 7197 1 13 . 1 1 75 75 GLU H H 397 8.529 8.529 7.664 0.865 17783 7198 1 13 . 1 1 76 76 GLU N N 398 119.987 119.987 119.168 0.819 17783 7199 1 13 . 1 1 76 76 GLU HA H 398 3.835 3.835 3.933 -0.098 17783 7200 1 13 . 1 1 76 76 GLU C C 398 178.564 178.564 178.679 -0.115 17783 7201 1 13 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.879 0.483 17783 7202 1 13 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.015 1.416 17783 7203 1 13 . 1 1 76 76 GLU H H 398 7.804 7.804 8.505 -0.701 17783 7204 1 13 . 1 1 77 77 ALA N N 399 122.630 122.630 122.436 0.194 17783 7205 1 13 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.193 -0.605 17783 7206 1 13 . 1 1 77 77 ALA C C 399 177.764 177.764 178.848 -1.084 17783 7207 1 13 . 1 1 77 77 ALA CA C 399 54.361 54.361 55.087 -0.726 17783 7208 1 13 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.019 -0.354 17783 7209 1 13 . 1 1 77 77 ALA H H 399 7.294 7.294 7.544 -0.250 17783 7210 1 13 . 1 1 78 78 LYS N N 400 115.403 115.403 118.146 -2.743 17783 7211 1 13 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.818 -0.048 17783 7212 1 13 . 1 1 78 78 LYS C C 400 180.700 180.700 179.057 1.643 17783 7213 1 13 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.387 0.155 17783 7214 1 13 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.275 -0.442 17783 7215 1 13 . 1 1 78 78 LYS H H 400 8.001 8.001 7.832 0.169 17783 7216 1 13 . 1 1 79 79 LYS N N 401 119.756 119.756 118.127 1.629 17783 7217 1 13 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.076 -0.107 17783 7218 1 13 . 1 1 79 79 LYS C C 401 178.347 178.347 178.565 -0.218 17783 7219 1 13 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.821 0.155 17783 7220 1 13 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.406 -0.108 17783 7221 1 13 . 1 1 79 79 LYS H H 401 7.788 7.788 7.426 0.362 17783 7222 1 13 . 1 1 80 80 ALA N N 402 120.725 120.725 121.631 -0.906 17783 7223 1 13 . 1 1 80 80 ALA HA H 402 4.143 4.143 3.989 0.154 17783 7224 1 13 . 1 1 80 80 ALA C C 402 180.118 180.118 179.201 0.917 17783 7225 1 13 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.919 -1.147 17783 7226 1 13 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.686 0.783 17783 7227 1 13 . 1 1 80 80 ALA H H 402 7.334 7.334 8.101 -0.767 17783 7228 1 13 . 1 1 81 81 VAL N N 403 120.431 120.431 118.151 2.280 17783 7229 1 13 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.658 -0.296 17783 7230 1 13 . 1 1 81 81 VAL C C 403 177.205 177.205 177.764 -0.559 17783 7231 1 13 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.614 1.114 17783 7232 1 13 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.465 0.268 17783 7233 1 13 . 1 1 81 81 VAL H H 403 7.480 7.480 7.501 -0.021 17783 7234 1 13 . 1 1 82 82 SER N N 404 110.126 110.126 111.892 -1.766 17783 7235 1 13 . 1 1 82 82 SER HA H 404 4.143 4.143 4.119 0.024 17783 7236 1 13 . 1 1 82 82 SER C C 404 174.813 174.813 175.622 -0.809 17783 7237 1 13 . 1 1 82 82 SER CA C 404 60.751 60.751 61.294 -0.543 17783 7238 1 13 . 1 1 82 82 SER CB C 404 63.287 63.287 63.064 0.223 17783 7239 1 13 . 1 1 82 82 SER H H 404 7.326 7.326 7.858 -0.532 17783 7240 1 13 . 1 1 83 83 THR N N 405 110.438 110.438 114.011 -3.573 17783 7241 1 13 . 1 1 83 83 THR HA H 405 4.461 4.461 4.093 0.368 17783 7242 1 13 . 1 1 83 83 THR C C 405 175.081 175.081 175.393 -0.312 17783 7243 1 13 . 1 1 83 83 THR CA C 405 61.761 61.761 64.140 -2.379 17783 7244 1 13 . 1 1 83 83 THR CB C 405 69.795 69.795 69.263 0.532 17783 7245 1 13 . 1 1 83 83 THR H H 405 7.634 7.634 7.509 0.125 17783 7246 1 13 . 1 1 84 84 LEU N N 406 123.244 123.244 123.721 -0.477 17783 7247 1 13 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.243 0.397 17783 7248 1 13 . 1 1 84 84 LEU C C 406 174.599 174.599 175.965 -1.366 17783 7249 1 13 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.350 -1.056 17783 7250 1 13 . 1 1 84 84 LEU CB C 406 40.709 40.709 40.903 -0.194 17783 7251 1 13 . 1 1 84 84 LEU H H 406 7.478 7.478 7.531 -0.053 17783 7252 1 13 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.512 -0.019 17783 7253 1 13 . 1 1 85 85 PRO C C 407 177.743 177.743 177.310 0.433 17783 7254 1 13 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.312 0.832 17783 7255 1 13 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.434 0.488 17783 7256 1 13 . 1 1 86 86 ALA N N 408 128.809 128.809 122.710 6.099 17783 7257 1 13 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.040 -0.095 17783 7258 1 13 . 1 1 86 86 ALA C C 408 180.517 180.517 179.313 1.204 17783 7259 1 13 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.817 0.688 17783 7260 1 13 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.006 0.339 17783 7261 1 13 . 1 1 86 86 ALA H H 408 9.168 9.168 8.651 0.517 17783 7262 1 13 . 1 1 87 87 ASP N N 409 116.520 116.520 118.919 -2.399 17783 7263 1 13 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.450 0.012 17783 7264 1 13 . 1 1 87 87 ASP C C 409 178.081 178.081 178.206 -0.125 17783 7265 1 13 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.150 -0.215 17783 7266 1 13 . 1 1 87 87 ASP CB C 409 40.359 40.359 39.908 0.451 17783 7267 1 13 . 1 1 87 87 ASP H H 409 9.359 9.359 8.734 0.625 17783 7268 1 13 . 1 1 88 88 VAL N N 410 117.452 117.452 117.741 -0.289 17783 7269 1 13 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.168 -0.079 17783 7270 1 13 . 1 1 88 88 VAL C C 410 178.675 178.675 178.757 -0.082 17783 7271 1 13 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.400 -0.525 17783 7272 1 13 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.056 -0.771 17783 7273 1 13 . 1 1 88 88 VAL H H 410 7.355 7.355 7.862 -0.507 17783 7274 1 13 . 1 1 89 89 GLN N N 411 119.387 119.387 120.763 -1.376 17783 7275 1 13 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.021 -0.377 17783 7276 1 13 . 1 1 89 89 GLN C C 411 179.168 179.168 178.648 0.520 17783 7277 1 13 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.972 1.740 17783 7278 1 13 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.651 -0.141 17783 7279 1 13 . 1 1 89 89 GLN H H 411 8.271 8.271 8.537 -0.266 17783 7280 1 13 . 1 1 90 90 ALA N N 412 118.634 118.634 123.041 -4.407 17783 7281 1 13 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.182 0.083 17783 7282 1 13 . 1 1 90 90 ALA C C 412 177.949 177.949 178.531 -0.582 17783 7283 1 13 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.693 -0.752 17783 7284 1 13 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.466 -0.139 17783 7285 1 13 . 1 1 90 90 ALA H H 412 7.794 7.794 8.746 -0.952 17783 7286 1 13 . 1 1 91 91 LYS N N 413 115.842 115.842 116.438 -0.596 17783 7287 1 13 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.241 0.091 17783 7288 1 13 . 1 1 91 91 LYS C C 413 175.829 175.829 176.375 -0.546 17783 7289 1 13 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.007 0.363 17783 7290 1 13 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.777 -0.293 17783 7291 1 13 . 1 1 91 91 LYS H H 413 7.398 7.398 7.470 -0.072 17783 7292 1 13 . 1 1 92 92 ASN N N 414 113.776 113.776 119.791 -6.015 17783 7293 1 13 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.530 0.006 17783 7294 1 13 . 1 1 92 92 ASN C C 414 171.075 171.075 172.908 -1.833 17783 7295 1 13 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.401 0.662 17783 7296 1 13 . 1 1 92 92 ASN CB C 414 37.081 37.081 37.741 -0.660 17783 7297 1 13 . 1 1 92 92 ASN H H 414 8.178 8.178 7.940 0.238 17783 7298 1 13 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.383 0.619 17783 7299 1 13 . 1 1 93 93 PRO C C 415 175.682 175.682 176.065 -0.383 17783 7300 1 13 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.488 0.002 17783 7301 1 13 . 1 1 93 93 PRO CB C 415 33.585 33.585 30.890 2.695 17783 7302 1 13 . 1 1 94 94 TRP N N 416 117.925 117.925 124.890 -6.965 17783 7303 1 13 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.676 0.341 17783 7304 1 13 . 1 1 94 94 TRP C C 416 173.607 173.607 175.550 -1.943 17783 7305 1 13 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.932 -0.937 17783 7306 1 13 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.160 2.347 17783 7307 1 13 . 1 1 94 94 TRP H H 416 7.921 7.921 8.009 -0.088 17783 7308 1 13 . 1 1 95 95 ALA N N 417 123.924 123.924 125.720 -1.796 17783 7309 1 13 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.237 0.518 17783 7310 1 13 . 1 1 95 95 ALA C C 417 174.171 174.171 177.117 -2.946 17783 7311 1 13 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.351 -0.714 17783 7312 1 13 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.640 0.828 17783 7313 1 13 . 1 1 95 95 ALA H H 417 8.878 8.878 8.411 0.467 17783 7314 1 13 . 1 1 96 96 LYS N N 418 129.441 129.441 123.256 6.185 17783 7315 1 13 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.651 0.370 17783 7316 1 13 . 1 1 96 96 LYS C C 418 173.451 173.451 173.730 -0.279 17783 7317 1 13 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.161 0.403 17783 7318 1 13 . 1 1 96 96 LYS CB C 418 36.983 36.983 31.405 5.578 17783 7319 1 13 . 1 1 96 96 LYS H H 418 9.235 9.235 7.718 1.517 17783 7320 1 13 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.087 -0.323 17783 7321 1 13 . 1 1 97 97 PRO C C 419 178.893 178.893 178.056 0.837 17783 7322 1 13 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.093 -0.198 17783 7323 1 13 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.104 0.616 17783 7324 1 13 . 1 1 98 98 LEU N N 420 126.746 126.746 120.719 6.027 17783 7325 1 13 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.088 -0.285 17783 7326 1 13 . 1 1 98 98 LEU C C 420 179.040 179.040 177.573 1.467 17783 7327 1 13 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.600 0.768 17783 7328 1 13 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.142 -1.201 17783 7329 1 13 . 1 1 98 98 LEU H H 420 9.179 9.179 8.574 0.605 17783 7330 1 13 . 1 1 99 99 ARG N N 421 118.262 118.262 118.403 -0.141 17783 7331 1 13 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.072 -0.013 17783 7332 1 13 . 1 1 99 99 ARG C C 421 178.140 178.140 178.315 -0.175 17783 7333 1 13 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.536 0.557 17783 7334 1 13 . 1 1 99 99 ARG CB C 421 29.956 29.956 30.149 -0.194 17783 7335 1 13 . 1 1 99 99 ARG H H 421 8.014 8.014 8.077 -0.063 17783 7336 1 13 . 1 1 100 100 GLN N N 422 116.539 116.539 118.970 -2.431 17783 7337 1 13 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.213 -0.003 17783 7338 1 13 . 1 1 100 100 GLN C C 422 177.594 177.594 178.421 -0.827 17783 7339 1 13 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.332 -0.599 17783 7340 1 13 . 1 1 100 100 GLN CB C 422 29.178 29.178 28.980 0.198 17783 7341 1 13 . 1 1 100 100 GLN H H 422 7.258 7.258 7.975 -0.717 17783 7342 1 13 . 1 1 101 101 VAL N N 423 119.665 119.665 119.852 -0.187 17783 7343 1 13 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.776 -0.228 17783 7344 1 13 . 1 1 101 101 VAL C C 423 177.040 177.040 176.759 0.281 17783 7345 1 13 . 1 1 101 101 VAL CA C 423 65.447 65.447 64.854 0.593 17783 7346 1 13 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.202 1.351 17783 7347 1 13 . 1 1 101 101 VAL H H 423 7.090 7.090 7.537 -0.447 17783 7348 1 13 . 1 1 102 102 GLN N N 424 115.032 115.032 118.431 -3.399 17783 7349 1 13 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.997 -0.432 17783 7350 1 13 . 1 1 102 102 GLN C C 424 177.994 177.994 177.396 0.598 17783 7351 1 13 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.949 0.934 17783 7352 1 13 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.063 -1.003 17783 7353 1 13 . 1 1 102 102 GLN H H 424 8.553 8.553 7.441 1.112 17783 7354 1 13 . 1 1 103 103 ALA N N 425 120.742 120.742 122.641 -1.899 17783 7355 1 13 . 1 1 103 103 ALA HA H 425 4.158 4.158 3.944 0.214 17783 7356 1 13 . 1 1 103 103 ALA C C 425 178.545 178.545 179.331 -0.786 17783 7357 1 13 . 1 1 103 103 ALA CA C 425 54.275 54.275 55.053 -0.777 17783 7358 1 13 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.354 -0.032 17783 7359 1 13 . 1 1 103 103 ALA H H 425 7.366 7.366 7.456 -0.090 17783 7360 1 13 . 1 1 104 104 ASP N N 426 117.066 117.066 118.024 -0.958 17783 7361 1 13 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.549 0.159 17783 7362 1 13 . 1 1 104 104 ASP C C 426 176.876 176.876 176.923 -0.047 17783 7363 1 13 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.394 -0.171 17783 7364 1 13 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.759 0.741 17783 7365 1 13 . 1 1 104 104 ASP H H 426 7.628 7.628 7.824 -0.196 17783 7366 1 13 . 1 1 105 105 LEU N N 427 119.853 119.853 121.056 -1.203 17783 7367 1 13 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.341 -0.042 17783 7368 1 13 . 1 1 105 105 LEU C C 427 176.118 176.118 175.687 0.431 17783 7369 1 13 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.494 -0.508 17783 7370 1 13 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.538 -0.460 17783 7371 1 13 . 1 1 105 105 LEU H H 427 7.242 7.242 7.474 -0.232 17783 7372 1 14 . 1 1 2 2 ARG N N 324 121.883 121.883 121.039 0.844 17783 7373 1 14 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.412 -0.068 17783 7374 1 14 . 1 1 2 2 ARG C C 324 176.887 176.887 176.065 0.822 17783 7375 1 14 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.003 0.502 17783 7376 1 14 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.697 0.037 17783 7377 1 14 . 1 1 2 2 ARG H H 324 8.373 8.373 8.261 0.112 17783 7378 1 14 . 1 1 3 3 GLY N N 325 111.231 111.231 108.614 2.617 17783 7379 1 14 . 1 1 3 3 GLY C C 325 174.037 174.037 173.338 0.699 17783 7380 1 14 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.521 0.707 17783 7381 1 14 . 1 1 3 3 GLY H H 325 8.683 8.683 8.179 0.504 17783 7382 1 14 . 1 1 4 4 SER N N 326 115.541 115.541 117.082 -1.541 17783 7383 1 14 . 1 1 4 4 SER HA H 326 4.377 4.377 4.297 0.080 17783 7384 1 14 . 1 1 4 4 SER C C 326 174.454 174.454 174.131 0.323 17783 7385 1 14 . 1 1 4 4 SER CA C 326 58.315 58.315 58.244 0.071 17783 7386 1 14 . 1 1 4 4 SER CB C 326 63.902 63.902 63.510 0.392 17783 7387 1 14 . 1 1 4 4 SER H H 326 8.237 8.237 7.972 0.265 17783 7388 1 14 . 1 1 10 10 HIS HA H 332 4.580 4.580 3.982 0.598 17783 7389 1 14 . 1 1 10 10 HIS C C 332 175.292 175.292 175.446 -0.154 17783 7390 1 14 . 1 1 10 10 HIS CA C 332 55.946 55.946 55.987 -0.041 17783 7391 1 14 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.058 1.065 17783 7392 1 14 . 1 1 11 11 GLY N N 333 110.527 110.527 109.214 1.313 17783 7393 1 14 . 1 1 11 11 GLY C C 333 174.126 174.126 174.625 -0.499 17783 7394 1 14 . 1 1 11 11 GLY CA C 333 45.327 45.327 46.574 -1.247 17783 7395 1 14 . 1 1 11 11 GLY H H 333 8.540 8.540 8.630 -0.090 17783 7396 1 14 . 1 1 12 12 SER N N 334 115.752 115.752 118.145 -2.393 17783 7397 1 14 . 1 1 12 12 SER HA H 334 4.436 4.436 4.223 0.213 17783 7398 1 14 . 1 1 12 12 SER C C 334 174.538 174.538 172.657 1.881 17783 7399 1 14 . 1 1 12 12 SER CA C 334 58.486 58.486 58.227 0.259 17783 7400 1 14 . 1 1 12 12 SER CB C 334 63.927 63.927 63.551 0.376 17783 7401 1 14 . 1 1 12 12 SER H H 334 8.356 8.356 8.002 0.354 17783 7402 1 14 . 1 1 13 13 ASN N N 335 120.410 120.410 124.102 -3.692 17783 7403 1 14 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.590 0.139 17783 7404 1 14 . 1 1 13 13 ASN C C 335 175.116 175.116 174.293 0.823 17783 7405 1 14 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.757 -0.370 17783 7406 1 14 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.089 -0.421 17783 7407 1 14 . 1 1 13 13 ASN H H 335 8.575 8.575 8.481 0.094 17783 7408 1 14 . 1 1 14 14 ASN N N 336 119.094 119.094 124.060 -4.966 17783 7409 1 14 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.729 0.000 17783 7410 1 14 . 1 1 14 14 ASN C C 336 175.395 175.395 173.740 1.655 17783 7411 1 14 . 1 1 14 14 ASN CA C 336 53.385 53.385 52.570 0.815 17783 7412 1 14 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.325 0.344 17783 7413 1 14 . 1 1 14 14 ASN H H 336 8.447 8.447 8.644 -0.197 17783 7414 1 14 . 1 1 15 15 ASN N N 337 118.915 118.915 118.005 0.910 17783 7415 1 14 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.819 -0.285 17783 7416 1 14 . 1 1 15 15 ASN C C 337 176.390 176.390 175.076 1.314 17783 7417 1 14 . 1 1 15 15 ASN CA C 337 53.991 53.991 52.681 1.310 17783 7418 1 14 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.480 -0.859 17783 7419 1 14 . 1 1 15 15 ASN H H 337 8.446 8.446 8.365 0.081 17783 7420 1 14 . 1 1 16 16 GLY N N 338 108.851 108.851 107.933 0.918 17783 7421 1 14 . 1 1 16 16 GLY C C 338 175.459 175.459 175.321 0.138 17783 7422 1 14 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.549 1.203 17783 7423 1 14 . 1 1 16 16 GLY H H 338 8.454 8.454 8.330 0.124 17783 7424 1 14 . 1 1 17 17 SER N N 339 116.218 116.218 116.984 -0.766 17783 7425 1 14 . 1 1 17 17 SER HA H 339 4.229 4.229 4.250 -0.021 17783 7426 1 14 . 1 1 17 17 SER C C 339 175.869 175.869 175.096 0.773 17783 7427 1 14 . 1 1 17 17 SER CA C 339 59.759 59.759 59.405 0.354 17783 7428 1 14 . 1 1 17 17 SER CB C 339 62.973 62.973 63.206 -0.233 17783 7429 1 14 . 1 1 17 17 SER H H 339 8.170 8.170 8.544 -0.374 17783 7430 1 14 . 1 1 18 18 LEU N N 340 121.515 121.515 121.872 -0.357 17783 7431 1 14 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.173 -0.171 17783 7432 1 14 . 1 1 18 18 LEU C C 340 178.399 178.399 178.044 0.355 17783 7433 1 14 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.132 0.019 17783 7434 1 14 . 1 1 18 18 LEU CB C 340 42.076 42.076 42.193 -0.117 17783 7435 1 14 . 1 1 18 18 LEU H H 340 7.790 7.790 7.610 0.180 17783 7436 1 14 . 1 1 19 19 LYS N N 341 117.145 117.145 116.479 0.666 17783 7437 1 14 . 1 1 19 19 LYS HA H 341 3.808 3.808 3.912 -0.104 17783 7438 1 14 . 1 1 19 19 LYS C C 341 176.960 176.960 177.745 -0.785 17783 7439 1 14 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.939 0.253 17783 7440 1 14 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.702 1.091 17783 7441 1 14 . 1 1 19 19 LYS H H 341 7.893 7.893 8.469 -0.576 17783 7442 1 14 . 1 1 20 20 SER N N 342 110.377 110.377 112.708 -2.331 17783 7443 1 14 . 1 1 20 20 SER HA H 342 4.369 4.369 4.398 -0.029 17783 7444 1 14 . 1 1 20 20 SER C C 342 173.735 173.735 174.572 -0.837 17783 7445 1 14 . 1 1 20 20 SER CA C 342 58.141 58.141 57.751 0.390 17783 7446 1 14 . 1 1 20 20 SER CB C 342 63.900 63.900 63.467 0.433 17783 7447 1 14 . 1 1 20 20 SER H H 342 7.546 7.546 7.557 -0.011 17783 7448 1 14 . 1 1 21 21 ALA N N 343 125.662 125.662 125.720 -0.058 17783 7449 1 14 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.515 -0.153 17783 7450 1 14 . 1 1 21 21 ALA C C 343 174.051 174.051 175.363 -1.312 17783 7451 1 14 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.760 0.812 17783 7452 1 14 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.832 -0.698 17783 7453 1 14 . 1 1 21 21 ALA H H 343 6.852 6.852 8.096 -1.244 17783 7454 1 14 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.362 -0.124 17783 7455 1 14 . 1 1 22 22 PRO C C 344 178.184 178.184 176.762 1.422 17783 7456 1 14 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.801 0.281 17783 7457 1 14 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.717 0.887 17783 7458 1 14 . 1 1 23 23 SER N N 345 118.662 118.662 120.456 -1.794 17783 7459 1 14 . 1 1 23 23 SER HA H 345 3.825 3.825 4.187 -0.362 17783 7460 1 14 . 1 1 23 23 SER C C 345 174.231 174.231 175.488 -1.257 17783 7461 1 14 . 1 1 23 23 SER CA C 345 60.892 60.892 60.006 0.886 17783 7462 1 14 . 1 1 23 23 SER CB C 345 63.223 63.223 62.991 0.232 17783 7463 1 14 . 1 1 23 23 SER H H 345 8.566 8.566 8.281 0.285 17783 7464 1 14 . 1 1 24 24 SER N N 346 111.938 111.938 116.729 -4.791 17783 7465 1 14 . 1 1 24 24 SER HA H 346 4.383 4.383 4.387 -0.004 17783 7466 1 14 . 1 1 24 24 SER C C 346 175.152 175.152 174.856 0.296 17783 7467 1 14 . 1 1 24 24 SER CA C 346 58.247 58.247 59.146 -0.899 17783 7468 1 14 . 1 1 24 24 SER CB C 346 63.958 63.958 63.478 0.479 17783 7469 1 14 . 1 1 24 24 SER H H 346 7.675 7.675 7.875 -0.200 17783 7470 1 14 . 1 1 25 25 HIS N N 347 122.882 122.882 120.702 2.180 17783 7471 1 14 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.396 0.454 17783 7472 1 14 . 1 1 25 25 HIS C C 347 173.574 173.574 174.898 -1.324 17783 7473 1 14 . 1 1 25 25 HIS CA C 347 56.075 56.075 56.448 -0.373 17783 7474 1 14 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.107 1.741 17783 7475 1 14 . 1 1 25 25 HIS H H 347 7.628 7.628 7.504 0.124 17783 7476 1 14 . 1 1 26 26 TYR N N 348 117.921 117.921 122.885 -4.964 17783 7477 1 14 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.548 0.441 17783 7478 1 14 . 1 1 26 26 TYR C C 348 174.086 174.086 175.255 -1.169 17783 7479 1 14 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.478 -0.291 17783 7480 1 14 . 1 1 26 26 TYR CB C 348 43.834 43.834 40.848 2.986 17783 7481 1 14 . 1 1 26 26 TYR H H 348 9.606 9.606 8.265 1.341 17783 7482 1 14 . 1 1 27 27 THR N N 349 115.914 115.914 114.529 1.385 17783 7483 1 14 . 1 1 27 27 THR HA H 349 5.027 5.027 4.668 0.359 17783 7484 1 14 . 1 1 27 27 THR C C 349 172.904 172.904 174.111 -1.207 17783 7485 1 14 . 1 1 27 27 THR CA C 349 58.835 58.835 61.613 -2.778 17783 7486 1 14 . 1 1 27 27 THR CB C 349 70.587 70.587 69.069 1.518 17783 7487 1 14 . 1 1 27 27 THR H H 349 8.974 8.974 8.376 0.598 17783 7488 1 14 . 1 1 28 28 LEU N N 350 123.392 123.392 127.612 -4.220 17783 7489 1 14 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.180 0.809 17783 7490 1 14 . 1 1 28 28 LEU C C 350 176.111 176.111 176.236 -0.125 17783 7491 1 14 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.675 -2.577 17783 7492 1 14 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.212 2.658 17783 7493 1 14 . 1 1 28 28 LEU H H 350 8.249 8.249 8.555 -0.306 17783 7494 1 14 . 1 1 29 29 GLN N N 351 122.797 122.797 119.500 3.297 17783 7495 1 14 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.271 0.282 17783 7496 1 14 . 1 1 29 29 GLN C C 351 175.435 175.435 175.088 0.347 17783 7497 1 14 . 1 1 29 29 GLN CA C 351 55.943 55.943 56.428 -0.485 17783 7498 1 14 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.241 -3.010 17783 7499 1 14 . 1 1 29 29 GLN H H 351 8.915 8.915 7.772 1.143 17783 7500 1 14 . 1 1 30 30 LEU N N 352 125.239 125.239 121.611 3.628 17783 7501 1 14 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.789 -0.422 17783 7502 1 14 . 1 1 30 30 LEU C C 352 177.250 177.250 176.045 1.205 17783 7503 1 14 . 1 1 30 30 LEU CA C 352 56.101 56.101 55.825 0.276 17783 7504 1 14 . 1 1 30 30 LEU CB C 352 43.100 43.100 44.102 -1.002 17783 7505 1 14 . 1 1 30 30 LEU H H 352 8.920 8.920 8.721 0.199 17783 7506 1 14 . 1 1 31 31 SER N N 353 106.816 106.816 109.336 -2.520 17783 7507 1 14 . 1 1 31 31 SER HA H 353 4.493 4.493 4.564 -0.071 17783 7508 1 14 . 1 1 31 31 SER C C 353 171.831 171.831 172.743 -0.912 17783 7509 1 14 . 1 1 31 31 SER CA C 353 57.160 57.160 57.395 -0.235 17783 7510 1 14 . 1 1 31 31 SER CB C 353 64.360 64.360 64.073 0.287 17783 7511 1 14 . 1 1 31 31 SER H H 353 7.548 7.548 8.238 -0.690 17783 7512 1 14 . 1 1 32 32 SER N N 354 113.518 113.518 114.249 -0.731 17783 7513 1 14 . 1 1 32 32 SER HA H 354 5.026 5.026 4.171 0.855 17783 7514 1 14 . 1 1 32 32 SER C C 354 172.512 172.512 171.566 0.946 17783 7515 1 14 . 1 1 32 32 SER CA C 354 57.285 57.285 56.508 0.777 17783 7516 1 14 . 1 1 32 32 SER CB C 354 65.347 65.347 64.332 1.014 17783 7517 1 14 . 1 1 32 32 SER H H 354 8.127 8.127 8.128 -0.001 17783 7518 1 14 . 1 1 33 33 SER N N 355 114.624 114.624 114.993 -0.369 17783 7519 1 14 . 1 1 33 33 SER HA H 355 4.106 4.106 4.333 -0.227 17783 7520 1 14 . 1 1 33 33 SER C C 355 171.639 171.639 171.866 -0.227 17783 7521 1 14 . 1 1 33 33 SER CA C 355 57.276 57.276 57.469 -0.193 17783 7522 1 14 . 1 1 33 33 SER CB C 355 64.539 64.539 64.261 0.278 17783 7523 1 14 . 1 1 33 33 SER H H 355 8.616 8.616 6.583 2.033 17783 7524 1 14 . 1 1 34 34 SER N N 356 116.467 116.467 115.187 1.280 17783 7525 1 14 . 1 1 34 34 SER HA H 356 4.241 4.241 5.025 -0.784 17783 7526 1 14 . 1 1 34 34 SER C C 356 173.820 173.820 172.960 0.860 17783 7527 1 14 . 1 1 34 34 SER CA C 356 59.074 59.074 58.564 0.510 17783 7528 1 14 . 1 1 34 34 SER CB C 356 63.741 63.741 63.764 -0.023 17783 7529 1 14 . 1 1 34 34 SER H H 356 8.132 8.132 8.425 -0.293 17783 7530 1 14 . 1 1 35 35 ASN N N 357 122.206 122.206 119.616 2.590 17783 7531 1 14 . 1 1 35 35 ASN HA H 357 4.921 4.921 4.912 0.009 17783 7532 1 14 . 1 1 35 35 ASN C C 357 172.965 172.965 174.645 -1.680 17783 7533 1 14 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.043 -0.596 17783 7534 1 14 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.700 0.225 17783 7535 1 14 . 1 1 35 35 ASN H H 357 8.511 8.511 8.296 0.215 17783 7536 1 14 . 1 1 36 36 TYR N N 358 127.519 127.519 124.304 3.215 17783 7537 1 14 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.166 -1.194 17783 7538 1 14 . 1 1 36 36 TYR C C 358 176.522 176.522 176.694 -0.172 17783 7539 1 14 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.751 0.218 17783 7540 1 14 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.719 -1.008 17783 7541 1 14 . 1 1 36 36 TYR H H 358 8.002 8.002 8.497 -0.495 17783 7542 1 14 . 1 1 37 37 ASP N N 359 118.658 118.658 118.934 -0.276 17783 7543 1 14 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.481 -0.337 17783 7544 1 14 . 1 1 37 37 ASP C C 359 179.804 179.804 177.258 2.546 17783 7545 1 14 . 1 1 37 37 ASP CA C 359 57.503 57.503 56.388 1.115 17783 7546 1 14 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.420 -0.242 17783 7547 1 14 . 1 1 37 37 ASP H H 359 8.033 8.033 8.751 -0.718 17783 7548 1 14 . 1 1 38 38 ASN N N 360 119.802 119.802 115.014 4.788 17783 7549 1 14 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.722 -0.419 17783 7550 1 14 . 1 1 38 38 ASN C C 360 177.720 177.720 176.664 1.056 17783 7551 1 14 . 1 1 38 38 ASN CA C 360 55.450 55.450 53.993 1.457 17783 7552 1 14 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.921 -1.158 17783 7553 1 14 . 1 1 38 38 ASN H H 360 8.380 8.380 8.062 0.318 17783 7554 1 14 . 1 1 39 39 LEU N N 361 121.625 121.625 122.602 -0.977 17783 7555 1 14 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.315 -0.218 17783 7556 1 14 . 1 1 39 39 LEU C C 361 177.738 177.738 177.626 0.112 17783 7557 1 14 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.398 0.167 17783 7558 1 14 . 1 1 39 39 LEU CB C 361 42.728 42.728 42.024 0.704 17783 7559 1 14 . 1 1 39 39 LEU H H 361 7.243 7.243 8.305 -1.062 17783 7560 1 14 . 1 1 40 40 ASN N N 362 116.601 116.601 117.412 -0.811 17783 7561 1 14 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.195 -0.050 17783 7562 1 14 . 1 1 40 40 ASN C C 362 177.253 177.253 177.269 -0.016 17783 7563 1 14 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.265 0.262 17783 7564 1 14 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.018 1.308 17783 7565 1 14 . 1 1 40 40 ASN H H 362 8.284 8.284 7.907 0.377 17783 7566 1 14 . 1 1 41 41 GLY N N 363 104.958 104.958 107.851 -2.893 17783 7567 1 14 . 1 1 41 41 GLY C C 363 176.323 176.323 175.993 0.330 17783 7568 1 14 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.814 0.025 17783 7569 1 14 . 1 1 41 41 GLY H H 363 8.334 8.334 8.434 -0.100 17783 7570 1 14 . 1 1 42 42 TRP N N 364 125.066 125.066 124.763 0.303 17783 7571 1 14 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.239 -0.013 17783 7572 1 14 . 1 1 42 42 TRP C C 364 176.509 176.509 177.695 -1.186 17783 7573 1 14 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.706 0.783 17783 7574 1 14 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.269 -1.393 17783 7575 1 14 . 1 1 42 42 TRP H H 364 7.833 7.833 7.494 0.339 17783 7576 1 14 . 1 1 43 43 ALA N N 365 120.030 120.030 120.362 -0.332 17783 7577 1 14 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.345 -0.351 17783 7578 1 14 . 1 1 43 43 ALA C C 365 179.186 179.186 179.602 -0.416 17783 7579 1 14 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.208 -0.207 17783 7580 1 14 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.996 -0.908 17783 7581 1 14 . 1 1 43 43 ALA H H 365 7.701 7.701 8.489 -0.788 17783 7582 1 14 . 1 1 44 44 LYS N N 366 115.064 115.064 116.427 -1.363 17783 7583 1 14 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.008 0.024 17783 7584 1 14 . 1 1 44 44 LYS C C 366 180.830 180.830 179.269 1.561 17783 7585 1 14 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.413 0.578 17783 7586 1 14 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.188 0.162 17783 7587 1 14 . 1 1 44 44 LYS H H 366 7.562 7.562 7.624 -0.062 17783 7588 1 14 . 1 1 45 45 LYS N N 367 123.180 123.180 119.948 3.232 17783 7589 1 14 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.022 -0.115 17783 7590 1 14 . 1 1 45 45 LYS C C 367 178.319 178.319 178.768 -0.449 17783 7591 1 14 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.532 0.512 17783 7592 1 14 . 1 1 45 45 LYS CB C 367 32.066 32.066 31.876 0.190 17783 7593 1 14 . 1 1 45 45 LYS H H 367 8.067 8.067 7.846 0.221 17783 7594 1 14 . 1 1 46 46 GLU N N 368 114.882 114.882 115.063 -0.181 17783 7595 1 14 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.019 -0.102 17783 7596 1 14 . 1 1 46 46 GLU C C 368 174.639 174.639 175.558 -0.919 17783 7597 1 14 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.810 -1.794 17783 7598 1 14 . 1 1 46 46 GLU CB C 368 27.677 27.677 28.566 -0.889 17783 7599 1 14 . 1 1 46 46 GLU H H 368 7.488 7.488 7.430 0.058 17783 7600 1 14 . 1 1 47 47 ASN N N 369 114.944 114.944 114.374 0.570 17783 7601 1 14 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.214 0.058 17783 7602 1 14 . 1 1 47 47 ASN C C 369 174.759 174.759 174.821 -0.062 17783 7603 1 14 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.876 -0.172 17783 7604 1 14 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.065 0.994 17783 7605 1 14 . 1 1 47 47 ASN H H 369 7.772 7.772 7.576 0.196 17783 7606 1 14 . 1 1 48 48 LEU N N 370 116.008 116.008 118.076 -2.068 17783 7607 1 14 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.912 0.208 17783 7608 1 14 . 1 1 48 48 LEU C C 370 177.056 177.056 176.684 0.372 17783 7609 1 14 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.407 -0.289 17783 7610 1 14 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.335 0.582 17783 7611 1 14 . 1 1 48 48 LEU H H 370 7.463 7.463 7.189 0.274 17783 7612 1 14 . 1 1 49 49 LYS N N 371 120.012 120.012 122.018 -2.006 17783 7613 1 14 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.393 0.167 17783 7614 1 14 . 1 1 49 49 LYS C C 371 176.481 176.481 176.467 0.014 17783 7615 1 14 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.107 0.222 17783 7616 1 14 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.163 1.392 17783 7617 1 14 . 1 1 49 49 LYS H H 371 8.518 8.518 7.912 0.606 17783 7618 1 14 . 1 1 50 50 ASN N N 372 117.610 117.610 120.349 -2.739 17783 7619 1 14 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.312 0.202 17783 7620 1 14 . 1 1 50 50 ASN C C 372 173.445 173.445 173.123 0.322 17783 7621 1 14 . 1 1 50 50 ASN CA C 372 53.437 53.437 53.987 -0.550 17783 7622 1 14 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.390 -0.458 17783 7623 1 14 . 1 1 50 50 ASN H H 372 8.734 8.734 8.761 -0.027 17783 7624 1 14 . 1 1 51 51 TYR N N 373 117.151 117.151 116.300 0.851 17783 7625 1 14 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.967 0.428 17783 7626 1 14 . 1 1 51 51 TYR C C 373 173.549 173.549 173.684 -0.135 17783 7627 1 14 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.247 -0.465 17783 7628 1 14 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.320 0.091 17783 7629 1 14 . 1 1 51 51 TYR H H 373 7.570 7.570 7.548 0.022 17783 7630 1 14 . 1 1 52 52 VAL N N 374 120.887 120.887 123.023 -2.136 17783 7631 1 14 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.300 -0.002 17783 7632 1 14 . 1 1 52 52 VAL C C 374 174.289 174.289 174.914 -0.625 17783 7633 1 14 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.604 0.110 17783 7634 1 14 . 1 1 52 52 VAL CB C 374 36.584 36.584 35.038 1.546 17783 7635 1 14 . 1 1 52 52 VAL H H 374 9.140 9.140 8.954 0.186 17783 7636 1 14 . 1 1 53 53 VAL N N 375 126.060 126.060 122.159 3.901 17783 7637 1 14 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.503 0.912 17783 7638 1 14 . 1 1 53 53 VAL C C 375 175.803 175.803 175.636 0.167 17783 7639 1 14 . 1 1 53 53 VAL CA C 375 60.656 60.656 61.665 -1.009 17783 7640 1 14 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.570 1.166 17783 7641 1 14 . 1 1 53 53 VAL H H 375 8.600 8.600 8.264 0.336 17783 7642 1 14 . 1 1 54 54 TYR N N 376 125.706 125.706 124.703 1.003 17783 7643 1 14 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.037 0.385 17783 7644 1 14 . 1 1 54 54 TYR C C 376 172.139 172.139 173.748 -1.609 17783 7645 1 14 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.514 -0.385 17783 7646 1 14 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.511 1.146 17783 7647 1 14 . 1 1 54 54 TYR H H 376 9.292 9.292 8.219 1.073 17783 7648 1 14 . 1 1 55 55 GLU N N 377 122.063 122.063 119.545 2.518 17783 7649 1 14 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.275 0.439 17783 7650 1 14 . 1 1 55 55 GLU C C 377 175.011 175.011 175.250 -0.239 17783 7651 1 14 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.336 -0.193 17783 7652 1 14 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.302 2.357 17783 7653 1 14 . 1 1 55 55 GLU H H 377 8.758 8.758 8.656 0.102 17783 7654 1 14 . 1 1 56 56 THR N N 378 122.855 122.855 113.560 9.295 17783 7655 1 14 . 1 1 56 56 THR HA H 378 4.848 4.848 4.517 0.331 17783 7656 1 14 . 1 1 56 56 THR C C 378 173.550 173.550 173.206 0.344 17783 7657 1 14 . 1 1 56 56 THR CA C 378 58.732 58.732 61.058 -2.326 17783 7658 1 14 . 1 1 56 56 THR CB C 378 70.181 70.181 71.546 -1.365 17783 7659 1 14 . 1 1 56 56 THR H H 378 9.160 9.160 7.508 1.651 17783 7660 1 14 . 1 1 57 57 THR N N 379 116.629 116.629 114.100 2.529 17783 7661 1 14 . 1 1 57 57 THR HA H 379 5.145 5.145 4.464 0.681 17783 7662 1 14 . 1 1 57 57 THR C C 379 173.973 173.973 173.254 0.719 17783 7663 1 14 . 1 1 57 57 THR CA C 379 60.517 60.517 61.115 -0.599 17783 7664 1 14 . 1 1 57 57 THR CB C 379 71.582 71.582 70.748 0.834 17783 7665 1 14 . 1 1 57 57 THR H H 379 8.677 8.677 8.402 0.275 17783 7666 1 14 . 1 1 58 58 ARG N N 380 124.546 124.546 124.172 0.374 17783 7667 1 14 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.475 -0.167 17783 7668 1 14 . 1 1 58 58 ARG C C 380 176.074 176.074 174.749 1.325 17783 7669 1 14 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.611 -1.101 17783 7670 1 14 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.514 0.959 17783 7671 1 14 . 1 1 58 58 ARG H H 380 9.117 9.117 8.485 0.632 17783 7672 1 14 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.539 -0.233 17783 7673 1 14 . 1 1 59 59 ASN C C 381 175.444 175.444 175.580 -0.136 17783 7674 1 14 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.714 0.523 17783 7675 1 14 . 1 1 59 59 ASN CB C 381 37.213 37.213 38.388 -1.175 17783 7676 1 14 . 1 1 60 60 GLY N N 382 103.015 103.015 108.152 -5.137 17783 7677 1 14 . 1 1 60 60 GLY C C 382 173.488 173.488 173.461 0.027 17783 7678 1 14 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.085 -0.612 17783 7679 1 14 . 1 1 60 60 GLY H H 382 8.639 8.639 8.706 -0.067 17783 7680 1 14 . 1 1 61 61 GLN N N 383 119.903 119.903 117.878 2.025 17783 7681 1 14 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.500 0.500 17783 7682 1 14 . 1 1 61 61 GLN C C 383 172.730 172.730 173.315 -0.585 17783 7683 1 14 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.518 0.173 17783 7684 1 14 . 1 1 61 61 GLN CB C 383 30.711 30.711 29.914 0.797 17783 7685 1 14 . 1 1 61 61 GLN H H 383 7.697 7.697 7.765 -0.068 17783 7686 1 14 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.332 0.282 17783 7687 1 14 . 1 1 62 62 PRO C C 384 175.576 175.576 175.447 0.129 17783 7688 1 14 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.860 1.142 17783 7689 1 14 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.054 0.491 17783 7690 1 14 . 1 1 63 63 TRP N N 385 126.621 126.621 124.419 2.202 17783 7691 1 14 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.866 -0.355 17783 7692 1 14 . 1 1 63 63 TRP C C 385 172.096 172.096 173.744 -1.648 17783 7693 1 14 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.593 0.489 17783 7694 1 14 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.214 0.960 17783 7695 1 14 . 1 1 63 63 TRP H H 385 8.063 8.063 8.475 -0.412 17783 7696 1 14 . 1 1 64 64 TYR N N 386 124.129 124.129 125.711 -1.582 17783 7697 1 14 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.116 1.102 17783 7698 1 14 . 1 1 64 64 TYR C C 386 173.544 173.544 173.909 -0.365 17783 7699 1 14 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.875 -0.106 17783 7700 1 14 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.667 3.766 17783 7701 1 14 . 1 1 64 64 TYR H H 386 7.954 7.954 8.194 -0.240 17783 7702 1 14 . 1 1 65 65 VAL N N 387 121.167 121.167 120.731 0.436 17783 7703 1 14 . 1 1 65 65 VAL HA H 387 3.863 3.863 3.948 -0.085 17783 7704 1 14 . 1 1 65 65 VAL C C 387 172.675 172.675 174.277 -1.602 17783 7705 1 14 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.632 0.625 17783 7706 1 14 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.237 0.896 17783 7707 1 14 . 1 1 65 65 VAL H H 387 8.409 8.409 6.705 1.704 17783 7708 1 14 . 1 1 66 66 LEU N N 388 127.479 127.479 122.890 4.589 17783 7709 1 14 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.874 0.549 17783 7710 1 14 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.286 0.210 17783 7711 1 14 . 1 1 66 66 LEU CB C 388 44.755 44.755 45.330 -0.575 17783 7712 1 14 . 1 1 66 66 LEU H H 388 8.200 8.200 8.197 0.003 17783 7713 1 14 . 1 1 67 67 VAL N N 389 120.778 120.778 113.773 7.005 17783 7714 1 14 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.724 1.116 17783 7715 1 14 . 1 1 67 67 VAL C C 389 174.934 174.934 174.089 0.845 17783 7716 1 14 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.776 -2.949 17783 7717 1 14 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.689 -0.996 17783 7718 1 14 . 1 1 67 67 VAL H H 389 9.314 9.314 8.508 0.806 17783 7719 1 14 . 1 1 68 68 SER N N 390 113.588 113.588 120.146 -6.558 17783 7720 1 14 . 1 1 68 68 SER HA H 390 4.850 4.850 4.877 -0.027 17783 7721 1 14 . 1 1 68 68 SER C C 390 174.691 174.691 173.623 1.068 17783 7722 1 14 . 1 1 68 68 SER CA C 390 58.213 58.213 57.743 0.470 17783 7723 1 14 . 1 1 68 68 SER CB C 390 66.007 66.007 65.887 0.120 17783 7724 1 14 . 1 1 68 68 SER H H 390 8.803 8.803 8.409 0.394 17783 7725 1 14 . 1 1 69 69 GLY N N 391 115.161 115.161 110.088 5.073 17783 7726 1 14 . 1 1 69 69 GLY C C 391 172.208 172.208 172.438 -0.230 17783 7727 1 14 . 1 1 69 69 GLY CA C 391 44.325 44.325 44.577 -0.251 17783 7728 1 14 . 1 1 69 69 GLY H H 391 8.436 8.436 8.591 -0.155 17783 7729 1 14 . 1 1 70 70 VAL N N 392 117.033 117.033 122.378 -5.345 17783 7730 1 14 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.347 0.133 17783 7731 1 14 . 1 1 70 70 VAL C C 392 174.635 174.635 175.070 -0.435 17783 7732 1 14 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.173 1.030 17783 7733 1 14 . 1 1 70 70 VAL CB C 392 34.237 34.237 31.913 2.324 17783 7734 1 14 . 1 1 70 70 VAL H H 392 7.188 7.188 7.881 -0.693 17783 7735 1 14 . 1 1 71 71 TYR N N 393 124.867 124.867 124.692 0.175 17783 7736 1 14 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.581 0.220 17783 7737 1 14 . 1 1 71 71 TYR C C 393 175.550 175.550 176.743 -1.193 17783 7738 1 14 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.447 -1.162 17783 7739 1 14 . 1 1 71 71 TYR CB C 393 42.543 42.543 38.973 3.570 17783 7740 1 14 . 1 1 71 71 TYR H H 393 9.517 9.517 8.216 1.301 17783 7741 1 14 . 1 1 72 72 ALA N N 394 124.217 124.217 127.279 -3.062 17783 7742 1 14 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.775 -1.004 17783 7743 1 14 . 1 1 72 72 ALA C C 394 175.911 175.911 177.120 -1.209 17783 7744 1 14 . 1 1 72 72 ALA CA C 394 53.257 53.257 55.200 -1.944 17783 7745 1 14 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.120 -0.100 17783 7746 1 14 . 1 1 72 72 ALA H H 394 8.984 8.984 8.638 0.346 17783 7747 1 14 . 1 1 73 73 SER N N 395 106.325 106.325 109.006 -2.681 17783 7748 1 14 . 1 1 73 73 SER HA H 395 4.769 4.769 4.344 0.425 17783 7749 1 14 . 1 1 73 73 SER C C 395 173.686 173.686 174.424 -0.738 17783 7750 1 14 . 1 1 73 73 SER CA C 395 56.031 56.031 56.404 -0.373 17783 7751 1 14 . 1 1 73 73 SER CB C 395 66.773 66.773 64.971 1.802 17783 7752 1 14 . 1 1 73 73 SER H H 395 7.251 7.251 7.563 -0.312 17783 7753 1 14 . 1 1 74 74 LYS N N 396 123.531 123.531 121.081 2.450 17783 7754 1 14 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.703 -0.809 17783 7755 1 14 . 1 1 74 74 LYS C C 396 178.040 178.040 178.012 0.028 17783 7756 1 14 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.766 0.777 17783 7757 1 14 . 1 1 74 74 LYS CB C 396 31.636 31.636 32.126 -0.490 17783 7758 1 14 . 1 1 74 74 LYS H H 396 8.742 8.742 8.090 0.652 17783 7759 1 14 . 1 1 75 75 GLU N N 397 118.740 118.740 117.219 1.521 17783 7760 1 14 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.880 -0.066 17783 7761 1 14 . 1 1 75 75 GLU C C 397 179.136 179.136 178.713 0.423 17783 7762 1 14 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.360 0.717 17783 7763 1 14 . 1 1 75 75 GLU CB C 397 28.748 28.748 28.696 0.052 17783 7764 1 14 . 1 1 75 75 GLU H H 397 8.529 8.529 8.108 0.421 17783 7765 1 14 . 1 1 76 76 GLU N N 398 119.987 119.987 118.951 1.036 17783 7766 1 14 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.200 -0.365 17783 7767 1 14 . 1 1 76 76 GLU C C 398 178.564 178.564 178.210 0.354 17783 7768 1 14 . 1 1 76 76 GLU CA C 398 59.362 59.362 57.825 1.537 17783 7769 1 14 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.607 0.824 17783 7770 1 14 . 1 1 76 76 GLU H H 398 7.804 7.804 7.643 0.161 17783 7771 1 14 . 1 1 77 77 ALA N N 399 122.630 122.630 121.616 1.014 17783 7772 1 14 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.381 -0.793 17783 7773 1 14 . 1 1 77 77 ALA C C 399 177.764 177.764 178.409 -0.645 17783 7774 1 14 . 1 1 77 77 ALA CA C 399 54.361 54.361 53.472 0.889 17783 7775 1 14 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.046 -0.381 17783 7776 1 14 . 1 1 77 77 ALA H H 399 7.294 7.294 7.681 -0.387 17783 7777 1 14 . 1 1 78 78 LYS N N 400 115.403 115.403 119.935 -4.532 17783 7778 1 14 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.945 -0.175 17783 7779 1 14 . 1 1 78 78 LYS C C 400 180.700 180.700 178.575 2.125 17783 7780 1 14 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.317 0.225 17783 7781 1 14 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.347 -0.514 17783 7782 1 14 . 1 1 78 78 LYS H H 400 8.001 8.001 8.025 -0.024 17783 7783 1 14 . 1 1 79 79 LYS N N 401 119.756 119.756 118.175 1.581 17783 7784 1 14 . 1 1 79 79 LYS HA H 401 3.969 3.969 3.976 -0.007 17783 7785 1 14 . 1 1 79 79 LYS C C 401 178.347 178.347 178.726 -0.379 17783 7786 1 14 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.739 0.238 17783 7787 1 14 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.679 0.619 17783 7788 1 14 . 1 1 79 79 LYS H H 401 7.788 7.788 8.027 -0.239 17783 7789 1 14 . 1 1 80 80 ALA N N 402 120.725 120.725 122.734 -2.009 17783 7790 1 14 . 1 1 80 80 ALA HA H 402 4.143 4.143 3.984 0.159 17783 7791 1 14 . 1 1 80 80 ALA C C 402 180.118 180.118 179.358 0.760 17783 7792 1 14 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.691 -0.919 17783 7793 1 14 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.718 0.750 17783 7794 1 14 . 1 1 80 80 ALA H H 402 7.334 7.334 7.233 0.101 17783 7795 1 14 . 1 1 81 81 VAL N N 403 120.431 120.431 116.826 3.605 17783 7796 1 14 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.678 -0.316 17783 7797 1 14 . 1 1 81 81 VAL C C 403 177.205 177.205 177.205 0.000 17783 7798 1 14 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.421 1.307 17783 7799 1 14 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.402 0.331 17783 7800 1 14 . 1 1 81 81 VAL H H 403 7.480 7.480 7.744 -0.264 17783 7801 1 14 . 1 1 82 82 SER N N 404 110.126 110.126 113.084 -2.958 17783 7802 1 14 . 1 1 82 82 SER HA H 404 4.143 4.143 4.274 -0.131 17783 7803 1 14 . 1 1 82 82 SER C C 404 174.813 174.813 175.764 -0.951 17783 7804 1 14 . 1 1 82 82 SER CA C 404 60.751 60.751 60.599 0.152 17783 7805 1 14 . 1 1 82 82 SER CB C 404 63.287 63.287 63.564 -0.277 17783 7806 1 14 . 1 1 82 82 SER H H 404 7.326 7.326 7.716 -0.390 17783 7807 1 14 . 1 1 83 83 THR N N 405 110.438 110.438 115.251 -4.813 17783 7808 1 14 . 1 1 83 83 THR HA H 405 4.461 4.461 4.104 0.357 17783 7809 1 14 . 1 1 83 83 THR C C 405 175.081 175.081 175.820 -0.739 17783 7810 1 14 . 1 1 83 83 THR CA C 405 61.761 61.761 64.174 -2.413 17783 7811 1 14 . 1 1 83 83 THR CB C 405 69.795 69.795 69.042 0.753 17783 7812 1 14 . 1 1 83 83 THR H H 405 7.634 7.634 7.955 -0.321 17783 7813 1 14 . 1 1 84 84 LEU N N 406 123.244 123.244 122.058 1.186 17783 7814 1 14 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.131 0.509 17783 7815 1 14 . 1 1 84 84 LEU C C 406 174.599 174.599 176.048 -1.449 17783 7816 1 14 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.444 -1.149 17783 7817 1 14 . 1 1 84 84 LEU CB C 406 40.709 40.709 40.926 -0.217 17783 7818 1 14 . 1 1 84 84 LEU H H 406 7.478 7.478 7.483 -0.005 17783 7819 1 14 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.510 -0.017 17783 7820 1 14 . 1 1 85 85 PRO C C 407 177.743 177.743 177.320 0.423 17783 7821 1 14 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.330 0.814 17783 7822 1 14 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.456 0.465 17783 7823 1 14 . 1 1 86 86 ALA N N 408 128.809 128.809 121.985 6.824 17783 7824 1 14 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.016 -0.070 17783 7825 1 14 . 1 1 86 86 ALA C C 408 180.517 180.517 179.441 1.076 17783 7826 1 14 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.351 1.154 17783 7827 1 14 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.243 0.102 17783 7828 1 14 . 1 1 86 86 ALA H H 408 9.168 9.168 8.551 0.617 17783 7829 1 14 . 1 1 87 87 ASP N N 409 116.520 116.520 118.654 -2.134 17783 7830 1 14 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.486 -0.024 17783 7831 1 14 . 1 1 87 87 ASP C C 409 178.081 178.081 178.122 -0.041 17783 7832 1 14 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.486 -0.551 17783 7833 1 14 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.433 -0.074 17783 7834 1 14 . 1 1 87 87 ASP H H 409 9.359 9.359 8.515 0.844 17783 7835 1 14 . 1 1 88 88 VAL N N 410 117.452 117.452 118.055 -0.603 17783 7836 1 14 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.134 -0.045 17783 7837 1 14 . 1 1 88 88 VAL C C 410 178.675 178.675 178.200 0.475 17783 7838 1 14 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.325 -0.450 17783 7839 1 14 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.741 -0.456 17783 7840 1 14 . 1 1 88 88 VAL H H 410 7.355 7.355 7.754 -0.399 17783 7841 1 14 . 1 1 89 89 GLN N N 411 119.387 119.387 119.383 0.004 17783 7842 1 14 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.035 -0.391 17783 7843 1 14 . 1 1 89 89 GLN C C 411 179.168 179.168 178.742 0.426 17783 7844 1 14 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.224 2.488 17783 7845 1 14 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.456 0.054 17783 7846 1 14 . 1 1 89 89 GLN H H 411 8.271 8.271 8.497 -0.226 17783 7847 1 14 . 1 1 90 90 ALA N N 412 118.634 118.634 124.514 -5.880 17783 7848 1 14 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.082 0.183 17783 7849 1 14 . 1 1 90 90 ALA C C 412 177.949 177.949 178.791 -0.842 17783 7850 1 14 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.989 -1.048 17783 7851 1 14 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.293 0.034 17783 7852 1 14 . 1 1 90 90 ALA H H 412 7.794 7.794 8.567 -0.773 17783 7853 1 14 . 1 1 91 91 LYS N N 413 115.842 115.842 115.104 0.738 17783 7854 1 14 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.325 0.007 17783 7855 1 14 . 1 1 91 91 LYS C C 413 175.829 175.829 176.605 -0.776 17783 7856 1 14 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.203 0.167 17783 7857 1 14 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.450 -0.966 17783 7858 1 14 . 1 1 91 91 LYS H H 413 7.398 7.398 7.647 -0.249 17783 7859 1 14 . 1 1 92 92 ASN N N 414 113.776 113.776 119.143 -5.367 17783 7860 1 14 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.639 -0.103 17783 7861 1 14 . 1 1 92 92 ASN C C 414 171.075 171.075 173.569 -2.494 17783 7862 1 14 . 1 1 92 92 ASN CA C 414 54.063 54.063 52.918 1.145 17783 7863 1 14 . 1 1 92 92 ASN CB C 414 37.081 37.081 38.043 -0.962 17783 7864 1 14 . 1 1 92 92 ASN H H 414 8.178 8.178 8.030 0.148 17783 7865 1 14 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.493 0.509 17783 7866 1 14 . 1 1 93 93 PRO C C 415 175.682 175.682 175.609 0.073 17783 7867 1 14 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.752 -0.262 17783 7868 1 14 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.242 1.343 17783 7869 1 14 . 1 1 94 94 TRP N N 416 117.925 117.925 116.983 0.942 17783 7870 1 14 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.857 0.160 17783 7871 1 14 . 1 1 94 94 TRP C C 416 173.607 173.607 174.596 -0.989 17783 7872 1 14 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.255 -0.260 17783 7873 1 14 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.146 1.361 17783 7874 1 14 . 1 1 94 94 TRP H H 416 7.921 7.921 7.543 0.378 17783 7875 1 14 . 1 1 95 95 ALA N N 417 123.924 123.924 124.833 -0.909 17783 7876 1 14 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.285 0.470 17783 7877 1 14 . 1 1 95 95 ALA C C 417 174.171 174.171 176.483 -2.312 17783 7878 1 14 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.486 -0.849 17783 7879 1 14 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.310 1.158 17783 7880 1 14 . 1 1 95 95 ALA H H 417 8.878 8.878 8.471 0.407 17783 7881 1 14 . 1 1 96 96 LYS N N 418 129.441 129.441 127.558 1.883 17783 7882 1 14 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.384 0.637 17783 7883 1 14 . 1 1 96 96 LYS C C 418 173.451 173.451 173.840 -0.389 17783 7884 1 14 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.411 0.152 17783 7885 1 14 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.959 4.024 17783 7886 1 14 . 1 1 96 96 LYS H H 418 9.235 9.235 7.884 1.351 17783 7887 1 14 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.082 -0.318 17783 7888 1 14 . 1 1 97 97 PRO C C 419 178.893 178.893 177.729 1.164 17783 7889 1 14 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.623 0.272 17783 7890 1 14 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.326 0.394 17783 7891 1 14 . 1 1 98 98 LEU N N 420 126.746 126.746 118.980 7.766 17783 7892 1 14 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.202 -0.399 17783 7893 1 14 . 1 1 98 98 LEU C C 420 179.040 179.040 178.511 0.529 17783 7894 1 14 . 1 1 98 98 LEU CA C 420 57.368 57.368 55.722 1.646 17783 7895 1 14 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.291 -1.350 17783 7896 1 14 . 1 1 98 98 LEU H H 420 9.179 9.179 8.510 0.669 17783 7897 1 14 . 1 1 99 99 ARG N N 421 118.262 118.262 118.918 -0.656 17783 7898 1 14 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.828 0.231 17783 7899 1 14 . 1 1 99 99 ARG C C 421 178.140 178.140 177.030 1.110 17783 7900 1 14 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.836 0.257 17783 7901 1 14 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.743 0.213 17783 7902 1 14 . 1 1 99 99 ARG H H 421 8.014 8.014 8.505 -0.491 17783 7903 1 14 . 1 1 100 100 GLN N N 422 116.539 116.539 115.279 1.260 17783 7904 1 14 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.332 -0.122 17783 7905 1 14 . 1 1 100 100 GLN C C 422 177.594 177.594 177.997 -0.403 17783 7906 1 14 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.188 0.545 17783 7907 1 14 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.762 -0.584 17783 7908 1 14 . 1 1 100 100 GLN H H 422 7.258 7.258 7.522 -0.264 17783 7909 1 14 . 1 1 101 101 VAL N N 423 119.665 119.665 121.058 -1.393 17783 7910 1 14 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.629 -0.081 17783 7911 1 14 . 1 1 101 101 VAL C C 423 177.040 177.040 177.675 -0.635 17783 7912 1 14 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.988 -0.541 17783 7913 1 14 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.169 1.385 17783 7914 1 14 . 1 1 101 101 VAL H H 423 7.090 7.090 8.265 -1.175 17783 7915 1 14 . 1 1 102 102 GLN N N 424 115.032 115.032 117.002 -1.970 17783 7916 1 14 . 1 1 102 102 GLN HA H 424 3.565 3.565 4.058 -0.493 17783 7917 1 14 . 1 1 102 102 GLN C C 424 177.994 177.994 177.283 0.711 17783 7918 1 14 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.519 1.364 17783 7919 1 14 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.670 -0.610 17783 7920 1 14 . 1 1 102 102 GLN H H 424 8.553 8.553 8.024 0.529 17783 7921 1 14 . 1 1 103 103 ALA N N 425 120.742 120.742 124.075 -3.333 17783 7922 1 14 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.015 0.143 17783 7923 1 14 . 1 1 103 103 ALA C C 425 178.545 178.545 178.849 -0.304 17783 7924 1 14 . 1 1 103 103 ALA CA C 425 54.275 54.275 55.277 -1.002 17783 7925 1 14 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.755 -0.433 17783 7926 1 14 . 1 1 103 103 ALA H H 425 7.366 7.366 8.490 -1.124 17783 7927 1 14 . 1 1 104 104 ASP N N 426 117.066 117.066 118.984 -1.918 17783 7928 1 14 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.482 0.226 17783 7929 1 14 . 1 1 104 104 ASP C C 426 176.876 176.876 177.895 -1.019 17783 7930 1 14 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.983 -0.760 17783 7931 1 14 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.096 2.404 17783 7932 1 14 . 1 1 104 104 ASP H H 426 7.628 7.628 8.056 -0.428 17783 7933 1 14 . 1 1 105 105 LEU N N 427 119.853 119.853 119.903 -0.050 17783 7934 1 14 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.268 0.031 17783 7935 1 14 . 1 1 105 105 LEU C C 427 176.118 176.118 176.081 0.037 17783 7936 1 14 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.621 0.365 17783 7937 1 14 . 1 1 105 105 LEU CB C 427 42.078 42.078 41.089 0.989 17783 7938 1 14 . 1 1 105 105 LEU H H 427 7.242 7.242 7.633 -0.391 17783 7939 1 15 . 1 1 2 2 ARG N N 324 121.883 121.883 122.289 -0.406 17783 7940 1 15 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.405 -0.061 17783 7941 1 15 . 1 1 2 2 ARG C C 324 176.887 176.887 178.026 -1.139 17783 7942 1 15 . 1 1 2 2 ARG CA C 324 56.505 56.505 57.425 -0.920 17783 7943 1 15 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.873 -0.140 17783 7944 1 15 . 1 1 2 2 ARG H H 324 8.373 8.373 8.132 0.241 17783 7945 1 15 . 1 1 3 3 GLY N N 325 111.231 111.231 108.129 3.102 17783 7946 1 15 . 1 1 3 3 GLY C C 325 174.037 174.037 173.737 0.300 17783 7947 1 15 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.823 0.405 17783 7948 1 15 . 1 1 3 3 GLY H H 325 8.683 8.683 8.401 0.282 17783 7949 1 15 . 1 1 4 4 SER N N 326 115.541 115.541 115.471 0.070 17783 7950 1 15 . 1 1 4 4 SER HA H 326 4.377 4.377 4.352 0.025 17783 7951 1 15 . 1 1 4 4 SER C C 326 174.454 174.454 172.109 2.345 17783 7952 1 15 . 1 1 4 4 SER CA C 326 58.315 58.315 57.637 0.678 17783 7953 1 15 . 1 1 4 4 SER CB C 326 63.902 63.902 63.575 0.327 17783 7954 1 15 . 1 1 4 4 SER H H 326 8.237 8.237 7.630 0.607 17783 7955 1 15 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.300 0.280 17783 7956 1 15 . 1 1 10 10 HIS C C 332 175.292 175.292 176.509 -1.217 17783 7957 1 15 . 1 1 10 10 HIS CA C 332 55.946 55.946 56.072 -0.126 17783 7958 1 15 . 1 1 10 10 HIS CB C 332 30.123 30.123 30.972 -0.849 17783 7959 1 15 . 1 1 11 11 GLY N N 333 110.527 110.527 112.071 -1.544 17783 7960 1 15 . 1 1 11 11 GLY C C 333 174.126 174.126 174.095 0.031 17783 7961 1 15 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.932 0.395 17783 7962 1 15 . 1 1 11 11 GLY H H 333 8.540 8.540 7.100 1.440 17783 7963 1 15 . 1 1 12 12 SER N N 334 115.752 115.752 114.836 0.916 17783 7964 1 15 . 1 1 12 12 SER HA H 334 4.436 4.436 4.043 0.393 17783 7965 1 15 . 1 1 12 12 SER C C 334 174.538 174.538 175.018 -0.480 17783 7966 1 15 . 1 1 12 12 SER CA C 334 58.486 58.486 57.948 0.538 17783 7967 1 15 . 1 1 12 12 SER CB C 334 63.927 63.927 63.358 0.569 17783 7968 1 15 . 1 1 12 12 SER H H 334 8.356 8.356 8.267 0.089 17783 7969 1 15 . 1 1 13 13 ASN N N 335 120.410 120.410 123.383 -2.973 17783 7970 1 15 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.519 0.210 17783 7971 1 15 . 1 1 13 13 ASN C C 335 175.116 175.116 175.787 -0.671 17783 7972 1 15 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.912 -0.526 17783 7973 1 15 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.384 0.284 17783 7974 1 15 . 1 1 13 13 ASN H H 335 8.575 8.575 8.704 -0.129 17783 7975 1 15 . 1 1 14 14 ASN N N 336 119.094 119.094 116.212 2.882 17783 7976 1 15 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.412 0.317 17783 7977 1 15 . 1 1 14 14 ASN C C 336 175.395 175.395 174.517 0.878 17783 7978 1 15 . 1 1 14 14 ASN CA C 336 53.385 53.385 54.037 -0.652 17783 7979 1 15 . 1 1 14 14 ASN CB C 336 38.669 38.669 36.670 1.999 17783 7980 1 15 . 1 1 14 14 ASN H H 336 8.447 8.447 8.295 0.152 17783 7981 1 15 . 1 1 15 15 ASN N N 337 118.915 118.915 117.543 1.372 17783 7982 1 15 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.462 0.072 17783 7983 1 15 . 1 1 15 15 ASN C C 337 176.390 176.390 176.569 -0.179 17783 7984 1 15 . 1 1 15 15 ASN CA C 337 53.991 53.991 54.879 -0.888 17783 7985 1 15 . 1 1 15 15 ASN CB C 337 38.621 38.621 38.462 0.159 17783 7986 1 15 . 1 1 15 15 ASN H H 337 8.446 8.446 8.049 0.397 17783 7987 1 15 . 1 1 16 16 GLY N N 338 108.851 108.851 106.495 2.356 17783 7988 1 15 . 1 1 16 16 GLY C C 338 175.459 175.459 175.271 0.188 17783 7989 1 15 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.473 1.279 17783 7990 1 15 . 1 1 16 16 GLY H H 338 8.454 8.454 8.203 0.251 17783 7991 1 15 . 1 1 17 17 SER N N 339 116.218 116.218 115.903 0.315 17783 7992 1 15 . 1 1 17 17 SER HA H 339 4.229 4.229 4.483 -0.254 17783 7993 1 15 . 1 1 17 17 SER C C 339 175.869 175.869 175.881 -0.012 17783 7994 1 15 . 1 1 17 17 SER CA C 339 59.759 59.759 58.401 1.358 17783 7995 1 15 . 1 1 17 17 SER CB C 339 62.973 62.973 62.735 0.238 17783 7996 1 15 . 1 1 17 17 SER H H 339 8.170 8.170 8.337 -0.167 17783 7997 1 15 . 1 1 18 18 LEU N N 340 121.515 121.515 117.560 3.955 17783 7998 1 15 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.373 -0.371 17783 7999 1 15 . 1 1 18 18 LEU C C 340 178.399 178.399 176.973 1.426 17783 8000 1 15 . 1 1 18 18 LEU CA C 340 57.151 57.151 55.731 1.420 17783 8001 1 15 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.145 0.931 17783 8002 1 15 . 1 1 18 18 LEU H H 340 7.790 7.790 7.758 0.032 17783 8003 1 15 . 1 1 19 19 LYS N N 341 117.145 117.145 117.567 -0.422 17783 8004 1 15 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.166 -0.358 17783 8005 1 15 . 1 1 19 19 LYS C C 341 176.960 176.960 176.651 0.309 17783 8006 1 15 . 1 1 19 19 LYS CA C 341 59.192 59.192 56.996 2.196 17783 8007 1 15 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.199 1.594 17783 8008 1 15 . 1 1 19 19 LYS H H 341 7.893 7.893 7.416 0.477 17783 8009 1 15 . 1 1 20 20 SER N N 342 110.377 110.377 115.411 -5.034 17783 8010 1 15 . 1 1 20 20 SER HA H 342 4.369 4.369 4.264 0.105 17783 8011 1 15 . 1 1 20 20 SER C C 342 173.735 173.735 175.030 -1.295 17783 8012 1 15 . 1 1 20 20 SER CA C 342 58.141 58.141 59.580 -1.439 17783 8013 1 15 . 1 1 20 20 SER CB C 342 63.900 63.900 63.581 0.319 17783 8014 1 15 . 1 1 20 20 SER H H 342 7.546 7.546 7.834 -0.288 17783 8015 1 15 . 1 1 21 21 ALA N N 343 125.662 125.662 125.315 0.347 17783 8016 1 15 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.446 -0.084 17783 8017 1 15 . 1 1 21 21 ALA C C 343 174.051 174.051 175.014 -0.963 17783 8018 1 15 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.706 0.866 17783 8019 1 15 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.708 -0.574 17783 8020 1 15 . 1 1 21 21 ALA H H 343 6.852 6.852 7.385 -0.533 17783 8021 1 15 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.378 -0.140 17783 8022 1 15 . 1 1 22 22 PRO C C 344 178.184 178.184 177.016 1.168 17783 8023 1 15 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.564 0.518 17783 8024 1 15 . 1 1 22 22 PRO CB C 344 31.604 31.604 32.442 -0.838 17783 8025 1 15 . 1 1 23 23 SER N N 345 118.662 118.662 119.292 -0.630 17783 8026 1 15 . 1 1 23 23 SER HA H 345 3.825 3.825 4.248 -0.423 17783 8027 1 15 . 1 1 23 23 SER C C 345 174.231 174.231 175.199 -0.968 17783 8028 1 15 . 1 1 23 23 SER CA C 345 60.892 60.892 60.238 0.654 17783 8029 1 15 . 1 1 23 23 SER CB C 345 63.223 63.223 63.326 -0.103 17783 8030 1 15 . 1 1 23 23 SER H H 345 8.566 8.566 8.590 -0.024 17783 8031 1 15 . 1 1 24 24 SER N N 346 111.938 111.938 114.780 -2.842 17783 8032 1 15 . 1 1 24 24 SER HA H 346 4.383 4.383 4.196 0.187 17783 8033 1 15 . 1 1 24 24 SER C C 346 175.152 175.152 174.435 0.717 17783 8034 1 15 . 1 1 24 24 SER CA C 346 58.247 58.247 59.541 -1.294 17783 8035 1 15 . 1 1 24 24 SER CB C 346 63.958 63.958 63.181 0.777 17783 8036 1 15 . 1 1 24 24 SER H H 346 7.675 7.675 7.952 -0.277 17783 8037 1 15 . 1 1 25 25 HIS N N 347 122.882 122.882 121.465 1.417 17783 8038 1 15 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.728 0.122 17783 8039 1 15 . 1 1 25 25 HIS C C 347 173.574 173.574 174.396 -0.822 17783 8040 1 15 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.669 0.406 17783 8041 1 15 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.173 1.675 17783 8042 1 15 . 1 1 25 25 HIS H H 347 7.628 7.628 7.243 0.385 17783 8043 1 15 . 1 1 26 26 TYR N N 348 117.921 117.921 124.286 -6.365 17783 8044 1 15 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.711 0.278 17783 8045 1 15 . 1 1 26 26 TYR C C 348 174.086 174.086 174.637 -0.551 17783 8046 1 15 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.929 0.258 17783 8047 1 15 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.747 2.087 17783 8048 1 15 . 1 1 26 26 TYR H H 348 9.606 9.606 8.251 1.355 17783 8049 1 15 . 1 1 27 27 THR N N 349 115.914 115.914 115.359 0.555 17783 8050 1 15 . 1 1 27 27 THR HA H 349 5.027 5.027 4.818 0.209 17783 8051 1 15 . 1 1 27 27 THR C C 349 172.904 172.904 174.105 -1.201 17783 8052 1 15 . 1 1 27 27 THR CA C 349 58.835 58.835 61.870 -3.035 17783 8053 1 15 . 1 1 27 27 THR CB C 349 70.587 70.587 69.257 1.330 17783 8054 1 15 . 1 1 27 27 THR H H 349 8.974 8.974 8.499 0.475 17783 8055 1 15 . 1 1 28 28 LEU N N 350 123.392 123.392 127.598 -4.206 17783 8056 1 15 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.187 0.802 17783 8057 1 15 . 1 1 28 28 LEU C C 350 176.111 176.111 175.739 0.372 17783 8058 1 15 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.694 -2.596 17783 8059 1 15 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.351 2.519 17783 8060 1 15 . 1 1 28 28 LEU H H 350 8.249 8.249 8.760 -0.511 17783 8061 1 15 . 1 1 29 29 GLN N N 351 122.797 122.797 118.008 4.789 17783 8062 1 15 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.599 -0.046 17783 8063 1 15 . 1 1 29 29 GLN C C 351 175.435 175.435 175.639 -0.204 17783 8064 1 15 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.377 1.566 17783 8065 1 15 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.971 -3.740 17783 8066 1 15 . 1 1 29 29 GLN H H 351 8.915 8.915 8.115 0.800 17783 8067 1 15 . 1 1 30 30 LEU N N 352 125.239 125.239 127.026 -1.787 17783 8068 1 15 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.387 -0.020 17783 8069 1 15 . 1 1 30 30 LEU C C 352 177.250 177.250 176.286 0.964 17783 8070 1 15 . 1 1 30 30 LEU CA C 352 56.101 56.101 56.869 -0.768 17783 8071 1 15 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.909 0.191 17783 8072 1 15 . 1 1 30 30 LEU H H 352 8.920 8.920 8.689 0.231 17783 8073 1 15 . 1 1 31 31 SER N N 353 106.816 106.816 108.269 -1.453 17783 8074 1 15 . 1 1 31 31 SER HA H 353 4.493 4.493 4.552 -0.059 17783 8075 1 15 . 1 1 31 31 SER C C 353 171.831 171.831 172.503 -0.672 17783 8076 1 15 . 1 1 31 31 SER CA C 353 57.160 57.160 57.840 -0.680 17783 8077 1 15 . 1 1 31 31 SER CB C 353 64.360 64.360 64.241 0.119 17783 8078 1 15 . 1 1 31 31 SER H H 353 7.548 7.548 7.888 -0.340 17783 8079 1 15 . 1 1 32 32 SER N N 354 113.518 113.518 114.930 -1.412 17783 8080 1 15 . 1 1 32 32 SER HA H 354 5.026 5.026 4.579 0.447 17783 8081 1 15 . 1 1 32 32 SER C C 354 172.512 172.512 171.549 0.963 17783 8082 1 15 . 1 1 32 32 SER CA C 354 57.285 57.285 57.501 -0.216 17783 8083 1 15 . 1 1 32 32 SER CB C 354 65.347 65.347 64.675 0.672 17783 8084 1 15 . 1 1 32 32 SER H H 354 8.127 8.127 8.281 -0.154 17783 8085 1 15 . 1 1 33 33 SER N N 355 114.624 114.624 114.285 0.339 17783 8086 1 15 . 1 1 33 33 SER HA H 355 4.106 4.106 4.121 -0.015 17783 8087 1 15 . 1 1 33 33 SER C C 355 171.639 171.639 171.866 -0.227 17783 8088 1 15 . 1 1 33 33 SER CA C 355 57.276 57.276 57.003 0.273 17783 8089 1 15 . 1 1 33 33 SER CB C 355 64.539 64.539 64.417 0.122 17783 8090 1 15 . 1 1 33 33 SER H H 355 8.616 8.616 5.822 2.794 17783 8091 1 15 . 1 1 34 34 SER N N 356 116.467 116.467 115.410 1.057 17783 8092 1 15 . 1 1 34 34 SER HA H 356 4.241 4.241 4.919 -0.678 17783 8093 1 15 . 1 1 34 34 SER C C 356 173.820 173.820 173.165 0.655 17783 8094 1 15 . 1 1 34 34 SER CA C 356 59.074 59.074 57.888 1.186 17783 8095 1 15 . 1 1 34 34 SER CB C 356 63.741 63.741 64.244 -0.503 17783 8096 1 15 . 1 1 34 34 SER H H 356 8.132 8.132 8.395 -0.263 17783 8097 1 15 . 1 1 35 35 ASN N N 357 122.206 122.206 118.951 3.255 17783 8098 1 15 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.214 -0.293 17783 8099 1 15 . 1 1 35 35 ASN C C 357 172.965 172.965 174.566 -1.601 17783 8100 1 15 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.039 -0.592 17783 8101 1 15 . 1 1 35 35 ASN CB C 357 40.925 40.925 41.586 -0.661 17783 8102 1 15 . 1 1 35 35 ASN H H 357 8.511 8.511 8.207 0.304 17783 8103 1 15 . 1 1 36 36 TYR N N 358 127.519 127.519 125.631 1.888 17783 8104 1 15 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.963 -0.991 17783 8105 1 15 . 1 1 36 36 TYR C C 358 176.522 176.522 176.233 0.289 17783 8106 1 15 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.330 -0.361 17783 8107 1 15 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.623 -0.912 17783 8108 1 15 . 1 1 36 36 TYR H H 358 8.002 8.002 8.895 -0.893 17783 8109 1 15 . 1 1 37 37 ASP N N 359 118.658 118.658 117.362 1.296 17783 8110 1 15 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.424 -0.280 17783 8111 1 15 . 1 1 37 37 ASP C C 359 179.804 179.804 177.613 2.191 17783 8112 1 15 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.008 0.495 17783 8113 1 15 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.361 -0.183 17783 8114 1 15 . 1 1 37 37 ASP H H 359 8.033 8.033 8.869 -0.836 17783 8115 1 15 . 1 1 38 38 ASN N N 360 119.802 119.802 116.804 2.998 17783 8116 1 15 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.711 -0.408 17783 8117 1 15 . 1 1 38 38 ASN C C 360 177.720 177.720 177.109 0.611 17783 8118 1 15 . 1 1 38 38 ASN CA C 360 55.450 55.450 54.799 0.651 17783 8119 1 15 . 1 1 38 38 ASN CB C 360 37.763 37.763 39.024 -1.261 17783 8120 1 15 . 1 1 38 38 ASN H H 360 8.380 8.380 8.244 0.136 17783 8121 1 15 . 1 1 39 39 LEU N N 361 121.625 121.625 122.695 -1.070 17783 8122 1 15 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.187 -0.090 17783 8123 1 15 . 1 1 39 39 LEU C C 361 177.738 177.738 177.868 -0.130 17783 8124 1 15 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.465 -0.900 17783 8125 1 15 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.041 1.687 17783 8126 1 15 . 1 1 39 39 LEU H H 361 7.243 7.243 8.207 -0.964 17783 8127 1 15 . 1 1 40 40 ASN N N 362 116.601 116.601 117.092 -0.491 17783 8128 1 15 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.225 -0.080 17783 8129 1 15 . 1 1 40 40 ASN C C 362 177.253 177.253 177.212 0.041 17783 8130 1 15 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.235 0.292 17783 8131 1 15 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.354 1.972 17783 8132 1 15 . 1 1 40 40 ASN H H 362 8.284 8.284 7.740 0.544 17783 8133 1 15 . 1 1 41 41 GLY N N 363 104.958 104.958 108.825 -3.867 17783 8134 1 15 . 1 1 41 41 GLY C C 363 176.323 176.323 175.708 0.615 17783 8135 1 15 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.625 0.214 17783 8136 1 15 . 1 1 41 41 GLY H H 363 8.334 8.334 7.685 0.649 17783 8137 1 15 . 1 1 42 42 TRP N N 364 125.066 125.066 125.460 -0.394 17783 8138 1 15 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.290 -0.064 17783 8139 1 15 . 1 1 42 42 TRP C C 364 176.509 176.509 178.033 -1.524 17783 8140 1 15 . 1 1 42 42 TRP CA C 364 61.489 61.489 61.000 0.489 17783 8141 1 15 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.243 -1.367 17783 8142 1 15 . 1 1 42 42 TRP H H 364 7.833 7.833 8.583 -0.750 17783 8143 1 15 . 1 1 43 43 ALA N N 365 120.030 120.030 121.461 -1.431 17783 8144 1 15 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.414 -0.420 17783 8145 1 15 . 1 1 43 43 ALA C C 365 179.186 179.186 179.352 -0.166 17783 8146 1 15 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.035 -0.034 17783 8147 1 15 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.943 -0.855 17783 8148 1 15 . 1 1 43 43 ALA H H 365 7.701 7.701 8.825 -1.124 17783 8149 1 15 . 1 1 44 44 LYS N N 366 115.064 115.064 117.198 -2.134 17783 8150 1 15 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.051 -0.018 17783 8151 1 15 . 1 1 44 44 LYS C C 366 180.830 180.830 178.716 2.114 17783 8152 1 15 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.427 0.564 17783 8153 1 15 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.218 0.132 17783 8154 1 15 . 1 1 44 44 LYS H H 366 7.562 7.562 7.985 -0.423 17783 8155 1 15 . 1 1 45 45 LYS N N 367 123.180 123.180 119.940 3.240 17783 8156 1 15 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.024 -0.117 17783 8157 1 15 . 1 1 45 45 LYS C C 367 178.319 178.319 178.207 0.112 17783 8158 1 15 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.829 0.215 17783 8159 1 15 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.430 -0.364 17783 8160 1 15 . 1 1 45 45 LYS H H 367 8.067 8.067 7.884 0.183 17783 8161 1 15 . 1 1 46 46 GLU N N 368 114.882 114.882 114.886 -0.004 17783 8162 1 15 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.071 -0.154 17783 8163 1 15 . 1 1 46 46 GLU C C 368 174.639 174.639 175.768 -1.129 17783 8164 1 15 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.663 -1.647 17783 8165 1 15 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.375 -1.698 17783 8166 1 15 . 1 1 46 46 GLU H H 368 7.488 7.488 7.529 -0.041 17783 8167 1 15 . 1 1 47 47 ASN N N 369 114.944 114.944 114.912 0.032 17783 8168 1 15 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.164 0.108 17783 8169 1 15 . 1 1 47 47 ASN C C 369 174.759 174.759 174.545 0.214 17783 8170 1 15 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.734 -0.030 17783 8171 1 15 . 1 1 47 47 ASN CB C 369 37.059 37.059 35.946 1.113 17783 8172 1 15 . 1 1 47 47 ASN H H 369 7.772 7.772 7.591 0.181 17783 8173 1 15 . 1 1 48 48 LEU N N 370 116.008 116.008 118.855 -2.847 17783 8174 1 15 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.931 0.189 17783 8175 1 15 . 1 1 48 48 LEU C C 370 177.056 177.056 176.564 0.492 17783 8176 1 15 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.230 -0.112 17783 8177 1 15 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.097 0.820 17783 8178 1 15 . 1 1 48 48 LEU H H 370 7.463 7.463 7.447 0.016 17783 8179 1 15 . 1 1 49 49 LYS N N 371 120.012 120.012 124.771 -4.759 17783 8180 1 15 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.362 0.198 17783 8181 1 15 . 1 1 49 49 LYS C C 371 176.481 176.481 176.703 -0.222 17783 8182 1 15 . 1 1 49 49 LYS CA C 371 55.329 55.329 56.355 -1.026 17783 8183 1 15 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.496 1.059 17783 8184 1 15 . 1 1 49 49 LYS H H 371 8.518 8.518 8.255 0.263 17783 8185 1 15 . 1 1 50 50 ASN N N 372 117.610 117.610 121.890 -4.280 17783 8186 1 15 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.420 0.094 17783 8187 1 15 . 1 1 50 50 ASN C C 372 173.445 173.445 173.356 0.089 17783 8188 1 15 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.265 -0.828 17783 8189 1 15 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.117 -0.185 17783 8190 1 15 . 1 1 50 50 ASN H H 372 8.734 8.734 8.946 -0.212 17783 8191 1 15 . 1 1 51 51 TYR N N 373 117.151 117.151 116.321 0.830 17783 8192 1 15 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.429 -0.034 17783 8193 1 15 . 1 1 51 51 TYR C C 373 173.549 173.549 174.032 -0.483 17783 8194 1 15 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.685 0.097 17783 8195 1 15 . 1 1 51 51 TYR CB C 373 40.411 40.411 41.046 -0.635 17783 8196 1 15 . 1 1 51 51 TYR H H 373 7.570 7.570 7.671 -0.101 17783 8197 1 15 . 1 1 52 52 VAL N N 374 120.887 120.887 122.319 -1.432 17783 8198 1 15 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.247 0.051 17783 8199 1 15 . 1 1 52 52 VAL C C 374 174.289 174.289 174.782 -0.493 17783 8200 1 15 . 1 1 52 52 VAL CA C 374 61.714 61.714 62.030 -0.316 17783 8201 1 15 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.903 1.681 17783 8202 1 15 . 1 1 52 52 VAL H H 374 9.140 9.140 8.758 0.382 17783 8203 1 15 . 1 1 53 53 VAL N N 375 126.060 126.060 127.113 -1.053 17783 8204 1 15 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.339 1.076 17783 8205 1 15 . 1 1 53 53 VAL C C 375 175.803 175.803 175.688 0.115 17783 8206 1 15 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.393 -1.737 17783 8207 1 15 . 1 1 53 53 VAL CB C 375 32.736 32.736 32.249 0.487 17783 8208 1 15 . 1 1 53 53 VAL H H 375 8.600 8.600 8.417 0.183 17783 8209 1 15 . 1 1 54 54 TYR N N 376 125.706 125.706 122.866 2.840 17783 8210 1 15 . 1 1 54 54 TYR HA H 376 5.422 5.422 4.970 0.452 17783 8211 1 15 . 1 1 54 54 TYR C C 376 172.139 172.139 173.783 -1.644 17783 8212 1 15 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.207 -0.078 17783 8213 1 15 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.709 0.948 17783 8214 1 15 . 1 1 54 54 TYR H H 376 9.292 9.292 7.989 1.303 17783 8215 1 15 . 1 1 55 55 GLU N N 377 122.063 122.063 120.489 1.574 17783 8216 1 15 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.998 0.716 17783 8217 1 15 . 1 1 55 55 GLU C C 377 175.011 175.011 175.621 -0.610 17783 8218 1 15 . 1 1 55 55 GLU CA C 377 55.143 55.143 56.098 -0.955 17783 8219 1 15 . 1 1 55 55 GLU CB C 377 32.659 32.659 29.929 2.730 17783 8220 1 15 . 1 1 55 55 GLU H H 377 8.758 8.758 8.540 0.218 17783 8221 1 15 . 1 1 56 56 THR N N 378 122.855 122.855 118.015 4.840 17783 8222 1 15 . 1 1 56 56 THR HA H 378 4.848 4.848 4.600 0.248 17783 8223 1 15 . 1 1 56 56 THR C C 378 173.550 173.550 173.274 0.276 17783 8224 1 15 . 1 1 56 56 THR CA C 378 58.732 58.732 60.714 -1.982 17783 8225 1 15 . 1 1 56 56 THR CB C 378 70.181 70.181 71.466 -1.285 17783 8226 1 15 . 1 1 56 56 THR H H 378 9.160 9.160 8.298 0.862 17783 8227 1 15 . 1 1 57 57 THR N N 379 116.629 116.629 113.051 3.578 17783 8228 1 15 . 1 1 57 57 THR HA H 379 5.145 5.145 4.528 0.617 17783 8229 1 15 . 1 1 57 57 THR C C 379 173.973 173.973 173.536 0.437 17783 8230 1 15 . 1 1 57 57 THR CA C 379 60.517 60.517 61.795 -1.278 17783 8231 1 15 . 1 1 57 57 THR CB C 379 71.582 71.582 70.023 1.559 17783 8232 1 15 . 1 1 57 57 THR H H 379 8.677 8.677 8.255 0.422 17783 8233 1 15 . 1 1 58 58 ARG N N 380 124.546 124.546 126.819 -2.273 17783 8234 1 15 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.553 -0.245 17783 8235 1 15 . 1 1 58 58 ARG C C 380 176.074 176.074 174.943 1.131 17783 8236 1 15 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.061 -0.551 17783 8237 1 15 . 1 1 58 58 ARG CB C 380 32.473 32.473 33.273 -0.800 17783 8238 1 15 . 1 1 58 58 ARG H H 380 9.117 9.117 8.152 0.965 17783 8239 1 15 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.515 -0.209 17783 8240 1 15 . 1 1 59 59 ASN C C 381 175.444 175.444 175.266 0.178 17783 8241 1 15 . 1 1 59 59 ASN CA C 381 54.237 54.237 52.908 1.329 17783 8242 1 15 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.119 0.094 17783 8243 1 15 . 1 1 60 60 GLY N N 382 103.015 103.015 103.952 -0.937 17783 8244 1 15 . 1 1 60 60 GLY C C 382 173.488 173.488 173.826 -0.338 17783 8245 1 15 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.734 -0.261 17783 8246 1 15 . 1 1 60 60 GLY H H 382 8.639 8.639 8.589 0.050 17783 8247 1 15 . 1 1 61 61 GLN N N 383 119.903 119.903 117.969 1.934 17783 8248 1 15 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.599 0.401 17783 8249 1 15 . 1 1 61 61 GLN C C 383 172.730 172.730 173.579 -0.849 17783 8250 1 15 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.775 -0.083 17783 8251 1 15 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.630 0.081 17783 8252 1 15 . 1 1 61 61 GLN H H 383 7.697 7.697 7.539 0.158 17783 8253 1 15 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.352 0.262 17783 8254 1 15 . 1 1 62 62 PRO C C 384 175.576 175.576 175.483 0.093 17783 8255 1 15 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.439 0.563 17783 8256 1 15 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.602 0.943 17783 8257 1 15 . 1 1 63 63 TRP N N 385 126.621 126.621 125.780 0.841 17783 8258 1 15 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.807 -0.296 17783 8259 1 15 . 1 1 63 63 TRP C C 385 172.096 172.096 172.961 -0.865 17783 8260 1 15 . 1 1 63 63 TRP CA C 385 56.082 56.082 54.770 1.312 17783 8261 1 15 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.551 0.623 17783 8262 1 15 . 1 1 63 63 TRP H H 385 8.063 8.063 8.279 -0.216 17783 8263 1 15 . 1 1 64 64 TYR N N 386 124.129 124.129 119.360 4.769 17783 8264 1 15 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.403 0.815 17783 8265 1 15 . 1 1 64 64 TYR C C 386 173.544 173.544 173.823 -0.279 17783 8266 1 15 . 1 1 64 64 TYR CA C 386 56.769 56.769 54.998 1.771 17783 8267 1 15 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.513 2.920 17783 8268 1 15 . 1 1 64 64 TYR H H 386 7.954 7.954 6.663 1.291 17783 8269 1 15 . 1 1 65 65 VAL N N 387 121.167 121.167 121.966 -0.799 17783 8270 1 15 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.283 -0.420 17783 8271 1 15 . 1 1 65 65 VAL C C 387 172.675 172.675 174.956 -2.281 17783 8272 1 15 . 1 1 65 65 VAL CA C 387 61.257 61.257 61.466 -0.209 17783 8273 1 15 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.128 1.005 17783 8274 1 15 . 1 1 65 65 VAL H H 387 8.409 8.409 7.009 1.400 17783 8275 1 15 . 1 1 66 66 LEU N N 388 127.479 127.479 127.921 -0.442 17783 8276 1 15 . 1 1 66 66 LEU HA H 388 5.423 5.423 5.037 0.386 17783 8277 1 15 . 1 1 66 66 LEU CA C 388 53.496 53.496 54.154 -0.658 17783 8278 1 15 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.938 0.818 17783 8279 1 15 . 1 1 66 66 LEU H H 388 8.200 8.200 8.534 -0.334 17783 8280 1 15 . 1 1 67 67 VAL N N 389 120.778 120.778 112.668 8.110 17783 8281 1 15 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.623 1.217 17783 8282 1 15 . 1 1 67 67 VAL C C 389 174.934 174.934 175.224 -0.290 17783 8283 1 15 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.353 -2.526 17783 8284 1 15 . 1 1 67 67 VAL CB C 389 33.693 33.693 35.320 -1.627 17783 8285 1 15 . 1 1 67 67 VAL H H 389 9.314 9.314 8.356 0.958 17783 8286 1 15 . 1 1 68 68 SER N N 390 113.588 113.588 120.411 -6.823 17783 8287 1 15 . 1 1 68 68 SER HA H 390 4.850 4.850 4.952 -0.102 17783 8288 1 15 . 1 1 68 68 SER C C 390 174.691 174.691 175.768 -1.077 17783 8289 1 15 . 1 1 68 68 SER CA C 390 58.213 58.213 57.331 0.882 17783 8290 1 15 . 1 1 68 68 SER CB C 390 66.007 66.007 62.189 3.818 17783 8291 1 15 . 1 1 68 68 SER H H 390 8.803 8.803 8.784 0.019 17783 8292 1 15 . 1 1 69 69 GLY N N 391 115.161 115.161 113.911 1.250 17783 8293 1 15 . 1 1 69 69 GLY C C 391 172.208 172.208 172.717 -0.509 17783 8294 1 15 . 1 1 69 69 GLY CA C 391 44.325 44.325 46.176 -1.851 17783 8295 1 15 . 1 1 69 69 GLY H H 391 8.436 8.436 8.071 0.365 17783 8296 1 15 . 1 1 70 70 VAL N N 392 117.033 117.033 119.528 -2.495 17783 8297 1 15 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.184 0.296 17783 8298 1 15 . 1 1 70 70 VAL C C 392 174.635 174.635 173.822 0.813 17783 8299 1 15 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.561 0.642 17783 8300 1 15 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.752 -0.515 17783 8301 1 15 . 1 1 70 70 VAL H H 392 7.188 7.188 7.644 -0.456 17783 8302 1 15 . 1 1 71 71 TYR N N 393 124.867 124.867 123.867 1.000 17783 8303 1 15 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.823 -0.022 17783 8304 1 15 . 1 1 71 71 TYR C C 393 175.550 175.550 175.583 -0.033 17783 8305 1 15 . 1 1 71 71 TYR CA C 393 56.285 56.285 56.689 -0.404 17783 8306 1 15 . 1 1 71 71 TYR CB C 393 42.543 42.543 40.347 2.196 17783 8307 1 15 . 1 1 71 71 TYR H H 393 9.517 9.517 8.189 1.328 17783 8308 1 15 . 1 1 72 72 ALA N N 394 124.217 124.217 126.306 -2.089 17783 8309 1 15 . 1 1 72 72 ALA HA H 394 2.771 2.771 4.019 -1.248 17783 8310 1 15 . 1 1 72 72 ALA C C 394 175.911 175.911 177.223 -1.312 17783 8311 1 15 . 1 1 72 72 ALA CA C 394 53.257 53.257 53.107 0.150 17783 8312 1 15 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.191 -0.170 17783 8313 1 15 . 1 1 72 72 ALA H H 394 8.984 8.984 8.752 0.232 17783 8314 1 15 . 1 1 73 73 SER N N 395 106.325 106.325 110.169 -3.844 17783 8315 1 15 . 1 1 73 73 SER HA H 395 4.769 4.769 4.654 0.115 17783 8316 1 15 . 1 1 73 73 SER C C 395 173.686 173.686 173.703 -0.017 17783 8317 1 15 . 1 1 73 73 SER CA C 395 56.031 56.031 57.162 -1.131 17783 8318 1 15 . 1 1 73 73 SER CB C 395 66.773 66.773 65.455 1.318 17783 8319 1 15 . 1 1 73 73 SER H H 395 7.251 7.251 8.119 -0.868 17783 8320 1 15 . 1 1 74 74 LYS N N 396 123.531 123.531 123.025 0.506 17783 8321 1 15 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.968 -1.074 17783 8322 1 15 . 1 1 74 74 LYS C C 396 178.040 178.040 177.925 0.115 17783 8323 1 15 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.606 1.937 17783 8324 1 15 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.959 -0.323 17783 8325 1 15 . 1 1 74 74 LYS H H 396 8.742 8.742 8.689 0.053 17783 8326 1 15 . 1 1 75 75 GLU N N 397 118.740 118.740 118.755 -0.015 17783 8327 1 15 . 1 1 75 75 GLU HA H 397 3.814 3.814 4.056 -0.242 17783 8328 1 15 . 1 1 75 75 GLU C C 397 179.136 179.136 178.286 0.850 17783 8329 1 15 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.445 0.632 17783 8330 1 15 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.535 -0.787 17783 8331 1 15 . 1 1 75 75 GLU H H 397 8.529 8.529 8.550 -0.021 17783 8332 1 15 . 1 1 76 76 GLU N N 398 119.987 119.987 118.074 1.913 17783 8333 1 15 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.250 -0.415 17783 8334 1 15 . 1 1 76 76 GLU C C 398 178.564 178.564 178.025 0.539 17783 8335 1 15 . 1 1 76 76 GLU CA C 398 59.362 59.362 57.685 1.677 17783 8336 1 15 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.257 1.174 17783 8337 1 15 . 1 1 76 76 GLU H H 398 7.804 7.804 7.612 0.192 17783 8338 1 15 . 1 1 77 77 ALA N N 399 122.630 122.630 124.316 -1.686 17783 8339 1 15 . 1 1 77 77 ALA HA H 399 2.588 2.588 2.149 0.439 17783 8340 1 15 . 1 1 77 77 ALA C C 399 177.764 177.764 179.220 -1.456 17783 8341 1 15 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.621 -0.260 17783 8342 1 15 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.035 -0.370 17783 8343 1 15 . 1 1 77 77 ALA H H 399 7.294 7.294 7.476 -0.182 17783 8344 1 15 . 1 1 78 78 LYS N N 400 115.403 115.403 118.090 -2.687 17783 8345 1 15 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.856 -0.086 17783 8346 1 15 . 1 1 78 78 LYS C C 400 180.700 180.700 178.599 2.101 17783 8347 1 15 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.004 0.538 17783 8348 1 15 . 1 1 78 78 LYS CB C 400 31.833 31.833 31.633 0.200 17783 8349 1 15 . 1 1 78 78 LYS H H 400 8.001 8.001 7.498 0.503 17783 8350 1 15 . 1 1 79 79 LYS N N 401 119.756 119.756 120.261 -0.505 17783 8351 1 15 . 1 1 79 79 LYS HA H 401 3.969 3.969 3.931 0.038 17783 8352 1 15 . 1 1 79 79 LYS C C 401 178.347 178.347 178.197 0.150 17783 8353 1 15 . 1 1 79 79 LYS CA C 401 58.976 58.976 59.078 -0.102 17783 8354 1 15 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.142 0.156 17783 8355 1 15 . 1 1 79 79 LYS H H 401 7.788 7.788 7.741 0.047 17783 8356 1 15 . 1 1 80 80 ALA N N 402 120.725 120.725 121.308 -0.583 17783 8357 1 15 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.105 0.038 17783 8358 1 15 . 1 1 80 80 ALA C C 402 180.118 180.118 179.532 0.586 17783 8359 1 15 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.704 -0.932 17783 8360 1 15 . 1 1 80 80 ALA CB C 402 18.469 18.469 18.076 0.393 17783 8361 1 15 . 1 1 80 80 ALA H H 402 7.334 7.334 7.424 -0.090 17783 8362 1 15 . 1 1 81 81 VAL N N 403 120.431 120.431 119.657 0.774 17783 8363 1 15 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.611 -0.249 17783 8364 1 15 . 1 1 81 81 VAL C C 403 177.205 177.205 177.676 -0.471 17783 8365 1 15 . 1 1 81 81 VAL CA C 403 66.728 66.728 66.546 0.182 17783 8366 1 15 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.457 0.276 17783 8367 1 15 . 1 1 81 81 VAL H H 403 7.480 7.480 8.365 -0.885 17783 8368 1 15 . 1 1 82 82 SER N N 404 110.126 110.126 112.177 -2.051 17783 8369 1 15 . 1 1 82 82 SER HA H 404 4.143 4.143 4.186 -0.043 17783 8370 1 15 . 1 1 82 82 SER C C 404 174.813 174.813 176.219 -1.406 17783 8371 1 15 . 1 1 82 82 SER CA C 404 60.751 60.751 60.923 -0.172 17783 8372 1 15 . 1 1 82 82 SER CB C 404 63.287 63.287 63.326 -0.039 17783 8373 1 15 . 1 1 82 82 SER H H 404 7.326 7.326 8.096 -0.770 17783 8374 1 15 . 1 1 83 83 THR N N 405 110.438 110.438 114.473 -4.035 17783 8375 1 15 . 1 1 83 83 THR HA H 405 4.461 4.461 4.045 0.416 17783 8376 1 15 . 1 1 83 83 THR C C 405 175.081 175.081 175.986 -0.905 17783 8377 1 15 . 1 1 83 83 THR CA C 405 61.761 61.761 64.632 -2.871 17783 8378 1 15 . 1 1 83 83 THR CB C 405 69.795 69.795 69.203 0.592 17783 8379 1 15 . 1 1 83 83 THR H H 405 7.634 7.634 7.566 0.068 17783 8380 1 15 . 1 1 84 84 LEU N N 406 123.244 123.244 123.831 -0.587 17783 8381 1 15 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.190 0.450 17783 8382 1 15 . 1 1 84 84 LEU C C 406 174.599 174.599 175.799 -1.200 17783 8383 1 15 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.685 -1.391 17783 8384 1 15 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.419 -0.710 17783 8385 1 15 . 1 1 84 84 LEU H H 406 7.478 7.478 8.074 -0.596 17783 8386 1 15 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.500 -0.007 17783 8387 1 15 . 1 1 85 85 PRO C C 407 177.743 177.743 177.274 0.469 17783 8388 1 15 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.276 0.869 17783 8389 1 15 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.478 0.443 17783 8390 1 15 . 1 1 86 86 ALA N N 408 128.809 128.809 123.014 5.795 17783 8391 1 15 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.055 -0.109 17783 8392 1 15 . 1 1 86 86 ALA C C 408 180.517 180.517 179.431 1.086 17783 8393 1 15 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.725 0.780 17783 8394 1 15 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.037 0.308 17783 8395 1 15 . 1 1 86 86 ALA H H 408 9.168 9.168 8.669 0.499 17783 8396 1 15 . 1 1 87 87 ASP N N 409 116.520 116.520 117.300 -0.780 17783 8397 1 15 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.459 0.003 17783 8398 1 15 . 1 1 87 87 ASP C C 409 178.081 178.081 177.486 0.595 17783 8399 1 15 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.126 -0.191 17783 8400 1 15 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.111 0.248 17783 8401 1 15 . 1 1 87 87 ASP H H 409 9.359 9.359 8.830 0.529 17783 8402 1 15 . 1 1 88 88 VAL N N 410 117.452 117.452 115.683 1.769 17783 8403 1 15 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.286 -0.197 17783 8404 1 15 . 1 1 88 88 VAL C C 410 178.675 178.675 178.203 0.472 17783 8405 1 15 . 1 1 88 88 VAL CA C 410 64.875 64.875 64.484 0.391 17783 8406 1 15 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.848 -1.563 17783 8407 1 15 . 1 1 88 88 VAL H H 410 7.355 7.355 7.235 0.120 17783 8408 1 15 . 1 1 89 89 GLN N N 411 119.387 119.387 121.240 -1.853 17783 8409 1 15 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.924 -0.280 17783 8410 1 15 . 1 1 89 89 GLN C C 411 179.168 179.168 178.287 0.881 17783 8411 1 15 . 1 1 89 89 GLN CA C 411 60.712 60.712 59.270 1.442 17783 8412 1 15 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.754 -0.244 17783 8413 1 15 . 1 1 89 89 GLN H H 411 8.271 8.271 8.589 -0.318 17783 8414 1 15 . 1 1 90 90 ALA N N 412 118.634 118.634 120.921 -2.287 17783 8415 1 15 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.157 0.108 17783 8416 1 15 . 1 1 90 90 ALA C C 412 177.949 177.949 178.501 -0.552 17783 8417 1 15 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.247 -0.306 17783 8418 1 15 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.460 -0.133 17783 8419 1 15 . 1 1 90 90 ALA H H 412 7.794 7.794 8.716 -0.922 17783 8420 1 15 . 1 1 91 91 LYS N N 413 115.842 115.842 117.435 -1.593 17783 8421 1 15 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.198 0.134 17783 8422 1 15 . 1 1 91 91 LYS C C 413 175.829 175.829 176.362 -0.533 17783 8423 1 15 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.667 -0.297 17783 8424 1 15 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.217 -0.733 17783 8425 1 15 . 1 1 91 91 LYS H H 413 7.398 7.398 7.532 -0.134 17783 8426 1 15 . 1 1 92 92 ASN N N 414 113.776 113.776 116.466 -2.690 17783 8427 1 15 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.568 -0.032 17783 8428 1 15 . 1 1 92 92 ASN C C 414 171.075 171.075 173.731 -2.656 17783 8429 1 15 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.563 0.500 17783 8430 1 15 . 1 1 92 92 ASN CB C 414 37.081 37.081 35.813 1.268 17783 8431 1 15 . 1 1 92 92 ASN H H 414 8.178 8.178 8.190 -0.012 17783 8432 1 15 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.481 0.521 17783 8433 1 15 . 1 1 93 93 PRO C C 415 175.682 175.682 176.343 -0.661 17783 8434 1 15 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.656 -0.166 17783 8435 1 15 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.462 1.123 17783 8436 1 15 . 1 1 94 94 TRP N N 416 117.925 117.925 119.674 -1.749 17783 8437 1 15 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.939 0.078 17783 8438 1 15 . 1 1 94 94 TRP C C 416 173.607 173.607 174.359 -0.752 17783 8439 1 15 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.777 -0.782 17783 8440 1 15 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.298 1.209 17783 8441 1 15 . 1 1 94 94 TRP H H 416 7.921 7.921 8.226 -0.305 17783 8442 1 15 . 1 1 95 95 ALA N N 417 123.924 123.924 125.009 -1.085 17783 8443 1 15 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.258 0.497 17783 8444 1 15 . 1 1 95 95 ALA C C 417 174.171 174.171 176.627 -2.456 17783 8445 1 15 . 1 1 95 95 ALA CA C 417 51.637 51.637 51.834 -0.197 17783 8446 1 15 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.857 0.611 17783 8447 1 15 . 1 1 95 95 ALA H H 417 8.878 8.878 8.355 0.523 17783 8448 1 15 . 1 1 96 96 LYS N N 418 129.441 129.441 124.729 4.712 17783 8449 1 15 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.433 0.588 17783 8450 1 15 . 1 1 96 96 LYS C C 418 173.451 173.451 173.762 -0.311 17783 8451 1 15 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.534 0.030 17783 8452 1 15 . 1 1 96 96 LYS CB C 418 36.983 36.983 31.317 5.666 17783 8453 1 15 . 1 1 96 96 LYS H H 418 9.235 9.235 8.010 1.225 17783 8454 1 15 . 1 1 97 97 PRO HA H 419 3.764 3.764 3.959 -0.195 17783 8455 1 15 . 1 1 97 97 PRO C C 419 178.893 178.893 177.658 1.235 17783 8456 1 15 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.727 0.168 17783 8457 1 15 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.210 0.510 17783 8458 1 15 . 1 1 98 98 LEU N N 420 126.746 126.746 124.238 2.508 17783 8459 1 15 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.946 -0.143 17783 8460 1 15 . 1 1 98 98 LEU C C 420 179.040 179.040 178.171 0.869 17783 8461 1 15 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.710 0.658 17783 8462 1 15 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.967 -2.026 17783 8463 1 15 . 1 1 98 98 LEU H H 420 9.179 9.179 7.889 1.290 17783 8464 1 15 . 1 1 99 99 ARG N N 421 118.262 118.262 117.499 0.763 17783 8465 1 15 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.178 -0.119 17783 8466 1 15 . 1 1 99 99 ARG C C 421 178.140 178.140 177.228 0.912 17783 8467 1 15 . 1 1 99 99 ARG CA C 421 59.093 59.093 57.934 1.159 17783 8468 1 15 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.933 0.023 17783 8469 1 15 . 1 1 99 99 ARG H H 421 8.014 8.014 7.828 0.186 17783 8470 1 15 . 1 1 100 100 GLN N N 422 116.539 116.539 119.331 -2.792 17783 8471 1 15 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.261 -0.051 17783 8472 1 15 . 1 1 100 100 GLN C C 422 177.594 177.594 177.659 -0.065 17783 8473 1 15 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.220 -0.487 17783 8474 1 15 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.933 -0.755 17783 8475 1 15 . 1 1 100 100 GLN H H 422 7.258 7.258 8.331 -1.073 17783 8476 1 15 . 1 1 101 101 VAL N N 423 119.665 119.665 119.896 -0.231 17783 8477 1 15 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.634 -0.086 17783 8478 1 15 . 1 1 101 101 VAL C C 423 177.040 177.040 177.935 -0.895 17783 8479 1 15 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.870 -0.423 17783 8480 1 15 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.327 2.226 17783 8481 1 15 . 1 1 101 101 VAL H H 423 7.090 7.090 7.934 -0.844 17783 8482 1 15 . 1 1 102 102 GLN N N 424 115.032 115.032 118.025 -2.993 17783 8483 1 15 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.974 -0.409 17783 8484 1 15 . 1 1 102 102 GLN C C 424 177.994 177.994 178.392 -0.398 17783 8485 1 15 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.162 0.721 17783 8486 1 15 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.031 -0.971 17783 8487 1 15 . 1 1 102 102 GLN H H 424 8.553 8.553 8.202 0.351 17783 8488 1 15 . 1 1 103 103 ALA N N 425 120.742 120.742 123.411 -2.669 17783 8489 1 15 . 1 1 103 103 ALA HA H 425 4.158 4.158 3.899 0.259 17783 8490 1 15 . 1 1 103 103 ALA C C 425 178.545 178.545 178.498 0.047 17783 8491 1 15 . 1 1 103 103 ALA CA C 425 54.275 54.275 55.342 -1.067 17783 8492 1 15 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.055 0.267 17783 8493 1 15 . 1 1 103 103 ALA H H 425 7.366 7.366 8.116 -0.750 17783 8494 1 15 . 1 1 104 104 ASP N N 426 117.066 117.066 118.386 -1.320 17783 8495 1 15 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.585 0.123 17783 8496 1 15 . 1 1 104 104 ASP C C 426 176.876 176.876 176.567 0.309 17783 8497 1 15 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.676 -0.453 17783 8498 1 15 . 1 1 104 104 ASP CB C 426 42.500 42.500 42.328 0.172 17783 8499 1 15 . 1 1 104 104 ASP H H 426 7.628 7.628 8.020 -0.392 17783 8500 1 15 . 1 1 105 105 LEU N N 427 119.853 119.853 120.390 -0.537 17783 8501 1 15 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.433 -0.134 17783 8502 1 15 . 1 1 105 105 LEU C C 427 176.118 176.118 175.323 0.795 17783 8503 1 15 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.181 -0.195 17783 8504 1 15 . 1 1 105 105 LEU CB C 427 42.078 42.078 44.042 -1.964 17783 8505 1 15 . 1 1 105 105 LEU H H 427 7.242 7.242 7.756 -0.514 17783 8506 1 16 . 1 1 2 2 ARG N N 324 121.883 121.883 122.569 -0.686 17783 8507 1 16 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.428 -0.084 17783 8508 1 16 . 1 1 2 2 ARG C C 324 176.887 176.887 176.877 0.010 17783 8509 1 16 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.149 0.356 17783 8510 1 16 . 1 1 2 2 ARG CB C 324 30.734 30.734 31.076 -0.342 17783 8511 1 16 . 1 1 2 2 ARG H H 324 8.373 8.373 8.144 0.229 17783 8512 1 16 . 1 1 3 3 GLY N N 325 111.231 111.231 109.605 1.626 17783 8513 1 16 . 1 1 3 3 GLY C C 325 174.037 174.037 174.153 -0.116 17783 8514 1 16 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.238 -0.010 17783 8515 1 16 . 1 1 3 3 GLY H H 325 8.683 8.683 8.530 0.153 17783 8516 1 16 . 1 1 4 4 SER N N 326 115.541 115.541 112.977 2.564 17783 8517 1 16 . 1 1 4 4 SER HA H 326 4.377 4.377 4.672 -0.295 17783 8518 1 16 . 1 1 4 4 SER C C 326 174.454 174.454 174.165 0.289 17783 8519 1 16 . 1 1 4 4 SER CA C 326 58.315 58.315 57.895 0.420 17783 8520 1 16 . 1 1 4 4 SER CB C 326 63.902 63.902 63.165 0.737 17783 8521 1 16 . 1 1 4 4 SER H H 326 8.237 8.237 8.501 -0.264 17783 8522 1 16 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.303 0.277 17783 8523 1 16 . 1 1 10 10 HIS C C 332 175.292 175.292 174.983 0.309 17783 8524 1 16 . 1 1 10 10 HIS CA C 332 55.946 55.946 55.668 0.278 17783 8525 1 16 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.971 0.152 17783 8526 1 16 . 1 1 11 11 GLY N N 333 110.527 110.527 111.280 -0.753 17783 8527 1 16 . 1 1 11 11 GLY C C 333 174.126 174.126 174.825 -0.699 17783 8528 1 16 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.150 0.177 17783 8529 1 16 . 1 1 11 11 GLY H H 333 8.540 8.540 7.970 0.570 17783 8530 1 16 . 1 1 12 12 SER N N 334 115.752 115.752 116.479 -0.727 17783 8531 1 16 . 1 1 12 12 SER HA H 334 4.436 4.436 4.323 0.113 17783 8532 1 16 . 1 1 12 12 SER C C 334 174.538 174.538 174.600 -0.062 17783 8533 1 16 . 1 1 12 12 SER CA C 334 58.486 58.486 57.808 0.678 17783 8534 1 16 . 1 1 12 12 SER CB C 334 63.927 63.927 63.962 -0.035 17783 8535 1 16 . 1 1 12 12 SER H H 334 8.356 8.356 7.989 0.367 17783 8536 1 16 . 1 1 13 13 ASN N N 335 120.410 120.410 120.201 0.209 17783 8537 1 16 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.794 -0.065 17783 8538 1 16 . 1 1 13 13 ASN C C 335 175.116 175.116 174.698 0.418 17783 8539 1 16 . 1 1 13 13 ASN CA C 335 53.386 53.386 52.753 0.633 17783 8540 1 16 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.025 -0.357 17783 8541 1 16 . 1 1 13 13 ASN H H 335 8.575 8.575 8.496 0.079 17783 8542 1 16 . 1 1 14 14 ASN N N 336 119.094 119.094 119.736 -0.642 17783 8543 1 16 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.595 0.134 17783 8544 1 16 . 1 1 14 14 ASN C C 336 175.395 175.395 174.758 0.637 17783 8545 1 16 . 1 1 14 14 ASN CA C 336 53.385 53.385 52.747 0.638 17783 8546 1 16 . 1 1 14 14 ASN CB C 336 38.669 38.669 39.077 -0.408 17783 8547 1 16 . 1 1 14 14 ASN H H 336 8.447 8.447 8.492 -0.045 17783 8548 1 16 . 1 1 15 15 ASN N N 337 118.915 118.915 115.506 3.409 17783 8549 1 16 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.642 -0.108 17783 8550 1 16 . 1 1 15 15 ASN C C 337 176.390 176.390 174.508 1.882 17783 8551 1 16 . 1 1 15 15 ASN CA C 337 53.991 53.991 52.994 0.997 17783 8552 1 16 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.098 -0.477 17783 8553 1 16 . 1 1 15 15 ASN H H 337 8.446 8.446 8.451 -0.005 17783 8554 1 16 . 1 1 16 16 GLY N N 338 108.851 108.851 108.355 0.496 17783 8555 1 16 . 1 1 16 16 GLY C C 338 175.459 175.459 174.919 0.540 17783 8556 1 16 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.794 0.958 17783 8557 1 16 . 1 1 16 16 GLY H H 338 8.454 8.454 8.390 0.064 17783 8558 1 16 . 1 1 17 17 SER N N 339 116.218 116.218 116.707 -0.489 17783 8559 1 16 . 1 1 17 17 SER HA H 339 4.229 4.229 4.378 -0.149 17783 8560 1 16 . 1 1 17 17 SER C C 339 175.869 175.869 176.530 -0.661 17783 8561 1 16 . 1 1 17 17 SER CA C 339 59.759 59.759 59.239 0.520 17783 8562 1 16 . 1 1 17 17 SER CB C 339 62.973 62.973 63.222 -0.249 17783 8563 1 16 . 1 1 17 17 SER H H 339 8.170 8.170 8.315 -0.145 17783 8564 1 16 . 1 1 18 18 LEU N N 340 121.515 121.515 123.239 -1.724 17783 8565 1 16 . 1 1 18 18 LEU HA H 340 4.002 4.002 3.977 0.025 17783 8566 1 16 . 1 1 18 18 LEU C C 340 178.399 178.399 177.349 1.050 17783 8567 1 16 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.018 0.133 17783 8568 1 16 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.880 0.196 17783 8569 1 16 . 1 1 18 18 LEU H H 340 7.790 7.790 7.931 -0.141 17783 8570 1 16 . 1 1 19 19 LYS N N 341 117.145 117.145 117.057 0.088 17783 8571 1 16 . 1 1 19 19 LYS HA H 341 3.808 3.808 3.953 -0.145 17783 8572 1 16 . 1 1 19 19 LYS C C 341 176.960 176.960 177.561 -0.601 17783 8573 1 16 . 1 1 19 19 LYS CA C 341 59.192 59.192 57.738 1.454 17783 8574 1 16 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.525 1.268 17783 8575 1 16 . 1 1 19 19 LYS H H 341 7.893 7.893 7.403 0.490 17783 8576 1 16 . 1 1 20 20 SER N N 342 110.377 110.377 115.530 -5.153 17783 8577 1 16 . 1 1 20 20 SER HA H 342 4.369 4.369 4.113 0.256 17783 8578 1 16 . 1 1 20 20 SER C C 342 173.735 173.735 174.947 -1.212 17783 8579 1 16 . 1 1 20 20 SER CA C 342 58.141 58.141 60.486 -2.345 17783 8580 1 16 . 1 1 20 20 SER CB C 342 63.900 63.900 63.479 0.421 17783 8581 1 16 . 1 1 20 20 SER H H 342 7.546 7.546 8.137 -0.591 17783 8582 1 16 . 1 1 21 21 ALA N N 343 125.662 125.662 123.682 1.980 17783 8583 1 16 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.191 0.171 17783 8584 1 16 . 1 1 21 21 ALA C C 343 174.051 174.051 175.478 -1.427 17783 8585 1 16 . 1 1 21 21 ALA CA C 343 50.572 50.572 50.916 -0.345 17783 8586 1 16 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.657 -0.522 17783 8587 1 16 . 1 1 21 21 ALA H H 343 6.852 6.852 7.638 -0.786 17783 8588 1 16 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.387 -0.149 17783 8589 1 16 . 1 1 22 22 PRO C C 344 178.184 178.184 176.817 1.367 17783 8590 1 16 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.769 0.313 17783 8591 1 16 . 1 1 22 22 PRO CB C 344 31.604 31.604 31.253 0.351 17783 8592 1 16 . 1 1 23 23 SER N N 345 118.662 118.662 118.343 0.319 17783 8593 1 16 . 1 1 23 23 SER HA H 345 3.825 3.825 4.248 -0.423 17783 8594 1 16 . 1 1 23 23 SER C C 345 174.231 174.231 174.886 -0.655 17783 8595 1 16 . 1 1 23 23 SER CA C 345 60.892 60.892 59.690 1.202 17783 8596 1 16 . 1 1 23 23 SER CB C 345 63.223 63.223 62.602 0.621 17783 8597 1 16 . 1 1 23 23 SER H H 345 8.566 8.566 8.302 0.264 17783 8598 1 16 . 1 1 24 24 SER N N 346 111.938 111.938 116.540 -4.602 17783 8599 1 16 . 1 1 24 24 SER HA H 346 4.383 4.383 4.515 -0.132 17783 8600 1 16 . 1 1 24 24 SER C C 346 175.152 175.152 174.710 0.442 17783 8601 1 16 . 1 1 24 24 SER CA C 346 58.247 58.247 59.954 -1.707 17783 8602 1 16 . 1 1 24 24 SER CB C 346 63.958 63.958 63.671 0.287 17783 8603 1 16 . 1 1 24 24 SER H H 346 7.675 7.675 7.930 -0.255 17783 8604 1 16 . 1 1 25 25 HIS N N 347 122.882 122.882 120.004 2.878 17783 8605 1 16 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.552 0.298 17783 8606 1 16 . 1 1 25 25 HIS C C 347 173.574 173.574 175.224 -1.650 17783 8607 1 16 . 1 1 25 25 HIS CA C 347 56.075 56.075 57.743 -1.668 17783 8608 1 16 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.454 1.394 17783 8609 1 16 . 1 1 25 25 HIS H H 347 7.628 7.628 7.465 0.163 17783 8610 1 16 . 1 1 26 26 TYR N N 348 117.921 117.921 115.083 2.838 17783 8611 1 16 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.672 0.317 17783 8612 1 16 . 1 1 26 26 TYR C C 348 174.086 174.086 174.000 0.086 17783 8613 1 16 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.311 -0.124 17783 8614 1 16 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.750 1.084 17783 8615 1 16 . 1 1 26 26 TYR H H 348 9.606 9.606 8.165 1.441 17783 8616 1 16 . 1 1 27 27 THR N N 349 115.914 115.914 115.762 0.152 17783 8617 1 16 . 1 1 27 27 THR HA H 349 5.027 5.027 4.876 0.151 17783 8618 1 16 . 1 1 27 27 THR C C 349 172.904 172.904 172.199 0.705 17783 8619 1 16 . 1 1 27 27 THR CA C 349 58.835 58.835 59.799 -0.964 17783 8620 1 16 . 1 1 27 27 THR CB C 349 70.587 70.587 70.231 0.356 17783 8621 1 16 . 1 1 27 27 THR H H 349 8.974 8.974 8.276 0.698 17783 8622 1 16 . 1 1 28 28 LEU N N 350 123.392 123.392 120.728 2.664 17783 8623 1 16 . 1 1 28 28 LEU HA H 350 4.989 4.989 5.041 -0.052 17783 8624 1 16 . 1 1 28 28 LEU C C 350 176.111 176.111 174.527 1.584 17783 8625 1 16 . 1 1 28 28 LEU CA C 350 53.098 53.098 53.291 -0.193 17783 8626 1 16 . 1 1 28 28 LEU CB C 350 44.870 44.870 46.908 -2.038 17783 8627 1 16 . 1 1 28 28 LEU H H 350 8.249 8.249 8.535 -0.286 17783 8628 1 16 . 1 1 29 29 GLN N N 351 122.797 122.797 118.840 3.957 17783 8629 1 16 . 1 1 29 29 GLN HA H 351 4.553 4.553 5.151 -0.598 17783 8630 1 16 . 1 1 29 29 GLN C C 351 175.435 175.435 176.619 -1.184 17783 8631 1 16 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.113 1.830 17783 8632 1 16 . 1 1 29 29 GLN CB C 351 27.231 27.231 31.008 -3.777 17783 8633 1 16 . 1 1 29 29 GLN H H 351 8.915 8.915 8.236 0.679 17783 8634 1 16 . 1 1 30 30 LEU N N 352 125.239 125.239 125.584 -0.345 17783 8635 1 16 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.300 0.067 17783 8636 1 16 . 1 1 30 30 LEU C C 352 177.250 177.250 176.370 0.880 17783 8637 1 16 . 1 1 30 30 LEU CA C 352 56.101 56.101 56.740 -0.639 17783 8638 1 16 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.741 0.359 17783 8639 1 16 . 1 1 30 30 LEU H H 352 8.920 8.920 8.252 0.668 17783 8640 1 16 . 1 1 31 31 SER N N 353 106.816 106.816 107.661 -0.845 17783 8641 1 16 . 1 1 31 31 SER HA H 353 4.493 4.493 4.642 -0.149 17783 8642 1 16 . 1 1 31 31 SER C C 353 171.831 171.831 172.496 -0.665 17783 8643 1 16 . 1 1 31 31 SER CA C 353 57.160 57.160 57.606 -0.446 17783 8644 1 16 . 1 1 31 31 SER CB C 353 64.360 64.360 65.236 -0.875 17783 8645 1 16 . 1 1 31 31 SER H H 353 7.548 7.548 7.882 -0.334 17783 8646 1 16 . 1 1 32 32 SER N N 354 113.518 113.518 113.785 -0.267 17783 8647 1 16 . 1 1 32 32 SER HA H 354 5.026 5.026 4.674 0.352 17783 8648 1 16 . 1 1 32 32 SER C C 354 172.512 172.512 172.461 0.051 17783 8649 1 16 . 1 1 32 32 SER CA C 354 57.285 57.285 57.307 -0.022 17783 8650 1 16 . 1 1 32 32 SER CB C 354 65.347 65.347 65.303 0.044 17783 8651 1 16 . 1 1 32 32 SER H H 354 8.127 8.127 8.216 -0.089 17783 8652 1 16 . 1 1 33 33 SER N N 355 114.624 114.624 114.703 -0.079 17783 8653 1 16 . 1 1 33 33 SER HA H 355 4.106 4.106 4.106 0.000 17783 8654 1 16 . 1 1 33 33 SER C C 355 171.639 171.639 171.856 -0.217 17783 8655 1 16 . 1 1 33 33 SER CA C 355 57.276 57.276 56.831 0.445 17783 8656 1 16 . 1 1 33 33 SER CB C 355 64.539 64.539 63.549 0.990 17783 8657 1 16 . 1 1 33 33 SER H H 355 8.616 8.616 5.821 2.795 17783 8658 1 16 . 1 1 34 34 SER N N 356 116.467 116.467 115.361 1.106 17783 8659 1 16 . 1 1 34 34 SER HA H 356 4.241 4.241 5.056 -0.815 17783 8660 1 16 . 1 1 34 34 SER C C 356 173.820 173.820 172.972 0.848 17783 8661 1 16 . 1 1 34 34 SER CA C 356 59.074 59.074 57.519 1.555 17783 8662 1 16 . 1 1 34 34 SER CB C 356 63.741 63.741 64.373 -0.632 17783 8663 1 16 . 1 1 34 34 SER H H 356 8.132 8.132 8.164 -0.032 17783 8664 1 16 . 1 1 35 35 ASN N N 357 122.206 122.206 119.383 2.823 17783 8665 1 16 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.011 -0.090 17783 8666 1 16 . 1 1 35 35 ASN C C 357 172.965 172.965 173.631 -0.666 17783 8667 1 16 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.205 -0.758 17783 8668 1 16 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.743 0.182 17783 8669 1 16 . 1 1 35 35 ASN H H 357 8.511 8.511 8.148 0.363 17783 8670 1 16 . 1 1 36 36 TYR N N 358 127.519 127.519 123.144 4.375 17783 8671 1 16 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.742 -0.770 17783 8672 1 16 . 1 1 36 36 TYR C C 358 176.522 176.522 176.451 0.071 17783 8673 1 16 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.318 0.651 17783 8674 1 16 . 1 1 36 36 TYR CB C 358 37.711 37.711 39.648 -1.937 17783 8675 1 16 . 1 1 36 36 TYR H H 358 8.002 8.002 8.821 -0.819 17783 8676 1 16 . 1 1 37 37 ASP N N 359 118.658 118.658 119.882 -1.224 17783 8677 1 16 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.070 0.074 17783 8678 1 16 . 1 1 37 37 ASP C C 359 179.804 179.804 177.899 1.905 17783 8679 1 16 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.154 -0.651 17783 8680 1 16 . 1 1 37 37 ASP CB C 359 40.178 40.178 39.894 0.284 17783 8681 1 16 . 1 1 37 37 ASP H H 359 8.033 8.033 8.832 -0.799 17783 8682 1 16 . 1 1 38 38 ASN N N 360 119.802 119.802 118.140 1.662 17783 8683 1 16 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.544 -0.241 17783 8684 1 16 . 1 1 38 38 ASN C C 360 177.720 177.720 177.450 0.270 17783 8685 1 16 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.572 -0.122 17783 8686 1 16 . 1 1 38 38 ASN CB C 360 37.763 37.763 37.856 -0.093 17783 8687 1 16 . 1 1 38 38 ASN H H 360 8.380 8.380 8.585 -0.205 17783 8688 1 16 . 1 1 39 39 LEU N N 361 121.625 121.625 120.679 0.946 17783 8689 1 16 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.251 -0.154 17783 8690 1 16 . 1 1 39 39 LEU C C 361 177.738 177.738 178.199 -0.461 17783 8691 1 16 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.091 -0.526 17783 8692 1 16 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.336 1.392 17783 8693 1 16 . 1 1 39 39 LEU H H 361 7.243 7.243 7.931 -0.688 17783 8694 1 16 . 1 1 40 40 ASN N N 362 116.601 116.601 118.144 -1.543 17783 8695 1 16 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.235 -0.090 17783 8696 1 16 . 1 1 40 40 ASN C C 362 177.253 177.253 178.137 -0.884 17783 8697 1 16 . 1 1 40 40 ASN CA C 362 56.527 56.527 57.110 -0.583 17783 8698 1 16 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.654 1.672 17783 8699 1 16 . 1 1 40 40 ASN H H 362 8.284 8.284 8.438 -0.154 17783 8700 1 16 . 1 1 41 41 GLY N N 363 104.958 104.958 107.319 -2.361 17783 8701 1 16 . 1 1 41 41 GLY C C 363 176.323 176.323 175.501 0.822 17783 8702 1 16 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.602 0.237 17783 8703 1 16 . 1 1 41 41 GLY H H 363 8.334 8.334 7.993 0.341 17783 8704 1 16 . 1 1 42 42 TRP N N 364 125.066 125.066 124.486 0.580 17783 8705 1 16 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.189 0.037 17783 8706 1 16 . 1 1 42 42 TRP C C 364 176.509 176.509 177.758 -1.249 17783 8707 1 16 . 1 1 42 42 TRP CA C 364 61.489 61.489 61.078 0.411 17783 8708 1 16 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.346 -1.470 17783 8709 1 16 . 1 1 42 42 TRP H H 364 7.833 7.833 7.803 0.030 17783 8710 1 16 . 1 1 43 43 ALA N N 365 120.030 120.030 119.800 0.230 17783 8711 1 16 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.355 -0.361 17783 8712 1 16 . 1 1 43 43 ALA C C 365 179.186 179.186 179.281 -0.095 17783 8713 1 16 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.260 -0.259 17783 8714 1 16 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.020 -0.932 17783 8715 1 16 . 1 1 43 43 ALA H H 365 7.701 7.701 8.460 -0.759 17783 8716 1 16 . 1 1 44 44 LYS N N 366 115.064 115.064 115.480 -0.416 17783 8717 1 16 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.096 -0.063 17783 8718 1 16 . 1 1 44 44 LYS C C 366 180.830 180.830 178.296 2.534 17783 8719 1 16 . 1 1 44 44 LYS CA C 366 58.991 58.991 57.779 1.212 17783 8720 1 16 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.158 0.192 17783 8721 1 16 . 1 1 44 44 LYS H H 366 7.562 7.562 7.424 0.138 17783 8722 1 16 . 1 1 45 45 LYS N N 367 123.180 123.180 119.801 3.379 17783 8723 1 16 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.060 -0.153 17783 8724 1 16 . 1 1 45 45 LYS C C 367 178.319 178.319 178.335 -0.016 17783 8725 1 16 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.598 0.446 17783 8726 1 16 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.581 -0.515 17783 8727 1 16 . 1 1 45 45 LYS H H 367 8.067 8.067 7.825 0.242 17783 8728 1 16 . 1 1 46 46 GLU N N 368 114.882 114.882 115.022 -0.140 17783 8729 1 16 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.127 -0.210 17783 8730 1 16 . 1 1 46 46 GLU C C 368 174.639 174.639 175.855 -1.216 17783 8731 1 16 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.166 -1.150 17783 8732 1 16 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.346 -1.669 17783 8733 1 16 . 1 1 46 46 GLU H H 368 7.488 7.488 7.518 -0.030 17783 8734 1 16 . 1 1 47 47 ASN N N 369 114.944 114.944 117.049 -2.105 17783 8735 1 16 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.225 0.047 17783 8736 1 16 . 1 1 47 47 ASN C C 369 174.759 174.759 174.339 0.420 17783 8737 1 16 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.472 0.232 17783 8738 1 16 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.810 0.249 17783 8739 1 16 . 1 1 47 47 ASN H H 369 7.772 7.772 7.382 0.390 17783 8740 1 16 . 1 1 48 48 LEU N N 370 116.008 116.008 118.610 -2.602 17783 8741 1 16 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.893 0.227 17783 8742 1 16 . 1 1 48 48 LEU C C 370 177.056 177.056 176.277 0.779 17783 8743 1 16 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.535 -0.417 17783 8744 1 16 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.990 0.926 17783 8745 1 16 . 1 1 48 48 LEU H H 370 7.463 7.463 7.631 -0.168 17783 8746 1 16 . 1 1 49 49 LYS N N 371 120.012 120.012 121.820 -1.808 17783 8747 1 16 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.107 0.453 17783 8748 1 16 . 1 1 49 49 LYS C C 371 176.481 176.481 176.545 -0.064 17783 8749 1 16 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.645 -0.316 17783 8750 1 16 . 1 1 49 49 LYS CB C 371 34.555 34.555 32.500 2.055 17783 8751 1 16 . 1 1 49 49 LYS H H 371 8.518 8.518 7.986 0.532 17783 8752 1 16 . 1 1 50 50 ASN N N 372 117.610 117.610 118.248 -0.638 17783 8753 1 16 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.484 0.030 17783 8754 1 16 . 1 1 50 50 ASN C C 372 173.445 173.445 173.935 -0.490 17783 8755 1 16 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.453 -1.016 17783 8756 1 16 . 1 1 50 50 ASN CB C 372 37.932 37.932 37.774 0.158 17783 8757 1 16 . 1 1 50 50 ASN H H 372 8.734 8.734 8.532 0.202 17783 8758 1 16 . 1 1 51 51 TYR N N 373 117.151 117.151 119.679 -2.528 17783 8759 1 16 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.794 0.601 17783 8760 1 16 . 1 1 51 51 TYR C C 373 173.549 173.549 173.566 -0.017 17783 8761 1 16 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.634 -0.852 17783 8762 1 16 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.041 0.370 17783 8763 1 16 . 1 1 51 51 TYR H H 373 7.570 7.570 8.181 -0.611 17783 8764 1 16 . 1 1 52 52 VAL N N 374 120.887 120.887 122.713 -1.826 17783 8765 1 16 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.124 0.174 17783 8766 1 16 . 1 1 52 52 VAL C C 374 174.289 174.289 175.184 -0.895 17783 8767 1 16 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.190 0.524 17783 8768 1 16 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.758 1.827 17783 8769 1 16 . 1 1 52 52 VAL H H 374 9.140 9.140 8.345 0.795 17783 8770 1 16 . 1 1 53 53 VAL N N 375 126.060 126.060 121.437 4.623 17783 8771 1 16 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.398 1.017 17783 8772 1 16 . 1 1 53 53 VAL C C 375 175.803 175.803 175.471 0.332 17783 8773 1 16 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.060 -1.404 17783 8774 1 16 . 1 1 53 53 VAL CB C 375 32.736 32.736 32.001 0.735 17783 8775 1 16 . 1 1 53 53 VAL H H 375 8.600 8.600 8.058 0.542 17783 8776 1 16 . 1 1 54 54 TYR N N 376 125.706 125.706 123.779 1.927 17783 8777 1 16 . 1 1 54 54 TYR HA H 376 5.422 5.422 4.976 0.446 17783 8778 1 16 . 1 1 54 54 TYR C C 376 172.139 172.139 173.680 -1.541 17783 8779 1 16 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.601 -0.472 17783 8780 1 16 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.261 1.396 17783 8781 1 16 . 1 1 54 54 TYR H H 376 9.292 9.292 8.206 1.086 17783 8782 1 16 . 1 1 55 55 GLU N N 377 122.063 122.063 119.380 2.683 17783 8783 1 16 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.053 0.661 17783 8784 1 16 . 1 1 55 55 GLU C C 377 175.011 175.011 175.505 -0.494 17783 8785 1 16 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.281 -0.138 17783 8786 1 16 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.925 1.734 17783 8787 1 16 . 1 1 55 55 GLU H H 377 8.758 8.758 8.570 0.188 17783 8788 1 16 . 1 1 56 56 THR N N 378 122.855 122.855 115.152 7.703 17783 8789 1 16 . 1 1 56 56 THR HA H 378 4.848 4.848 4.877 -0.029 17783 8790 1 16 . 1 1 56 56 THR C C 378 173.550 173.550 172.969 0.581 17783 8791 1 16 . 1 1 56 56 THR CA C 378 58.732 58.732 60.706 -1.974 17783 8792 1 16 . 1 1 56 56 THR CB C 378 70.181 70.181 69.451 0.730 17783 8793 1 16 . 1 1 56 56 THR H H 378 9.160 9.160 7.656 1.504 17783 8794 1 16 . 1 1 57 57 THR N N 379 116.629 116.629 112.980 3.649 17783 8795 1 16 . 1 1 57 57 THR HA H 379 5.145 5.145 4.656 0.489 17783 8796 1 16 . 1 1 57 57 THR C C 379 173.973 173.973 172.921 1.052 17783 8797 1 16 . 1 1 57 57 THR CA C 379 60.517 60.517 60.391 0.126 17783 8798 1 16 . 1 1 57 57 THR CB C 379 71.582 71.582 71.239 0.343 17783 8799 1 16 . 1 1 57 57 THR H H 379 8.677 8.677 8.366 0.311 17783 8800 1 16 . 1 1 58 58 ARG N N 380 124.546 124.546 124.279 0.267 17783 8801 1 16 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.492 -0.184 17783 8802 1 16 . 1 1 58 58 ARG C C 380 176.074 176.074 174.524 1.550 17783 8803 1 16 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.971 -1.461 17783 8804 1 16 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.964 0.509 17783 8805 1 16 . 1 1 58 58 ARG H H 380 9.117 9.117 8.564 0.553 17783 8806 1 16 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.566 -0.260 17783 8807 1 16 . 1 1 59 59 ASN C C 381 175.444 175.444 176.127 -0.683 17783 8808 1 16 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.505 0.732 17783 8809 1 16 . 1 1 59 59 ASN CB C 381 37.213 37.213 36.919 0.294 17783 8810 1 16 . 1 1 60 60 GLY N N 382 103.015 103.015 104.178 -1.163 17783 8811 1 16 . 1 1 60 60 GLY C C 382 173.488 173.488 173.944 -0.456 17783 8812 1 16 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.967 -0.494 17783 8813 1 16 . 1 1 60 60 GLY H H 382 8.639 8.639 8.557 0.082 17783 8814 1 16 . 1 1 61 61 GLN N N 383 119.903 119.903 118.728 1.175 17783 8815 1 16 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.526 0.474 17783 8816 1 16 . 1 1 61 61 GLN C C 383 172.730 172.730 173.401 -0.671 17783 8817 1 16 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.336 0.355 17783 8818 1 16 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.216 0.495 17783 8819 1 16 . 1 1 61 61 GLN H H 383 7.697 7.697 7.475 0.222 17783 8820 1 16 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.381 0.233 17783 8821 1 16 . 1 1 62 62 PRO C C 384 175.576 175.576 175.239 0.337 17783 8822 1 16 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.900 1.102 17783 8823 1 16 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.863 0.682 17783 8824 1 16 . 1 1 63 63 TRP N N 385 126.621 126.621 125.196 1.425 17783 8825 1 16 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.750 -0.239 17783 8826 1 16 . 1 1 63 63 TRP C C 385 172.096 172.096 172.791 -0.695 17783 8827 1 16 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.811 0.271 17783 8828 1 16 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.043 1.131 17783 8829 1 16 . 1 1 63 63 TRP H H 385 8.063 8.063 7.640 0.423 17783 8830 1 16 . 1 1 64 64 TYR N N 386 124.129 124.129 121.127 3.002 17783 8831 1 16 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.234 0.984 17783 8832 1 16 . 1 1 64 64 TYR C C 386 173.544 173.544 174.267 -0.723 17783 8833 1 16 . 1 1 64 64 TYR CA C 386 56.769 56.769 54.990 1.779 17783 8834 1 16 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.982 2.451 17783 8835 1 16 . 1 1 64 64 TYR H H 386 7.954 7.954 7.342 0.612 17783 8836 1 16 . 1 1 65 65 VAL N N 387 121.167 121.167 118.507 2.660 17783 8837 1 16 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.350 -0.487 17783 8838 1 16 . 1 1 65 65 VAL C C 387 172.675 172.675 174.762 -2.087 17783 8839 1 16 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.035 1.222 17783 8840 1 16 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.410 0.723 17783 8841 1 16 . 1 1 65 65 VAL H H 387 8.409 8.409 7.550 0.859 17783 8842 1 16 . 1 1 66 66 LEU N N 388 127.479 127.479 122.710 4.769 17783 8843 1 16 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.943 0.480 17783 8844 1 16 . 1 1 66 66 LEU CA C 388 53.496 53.496 54.033 -0.538 17783 8845 1 16 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.840 0.915 17783 8846 1 16 . 1 1 66 66 LEU H H 388 8.200 8.200 8.514 -0.314 17783 8847 1 16 . 1 1 67 67 VAL N N 389 120.778 120.778 115.820 4.958 17783 8848 1 16 . 1 1 67 67 VAL HA H 389 5.840 5.840 5.009 0.831 17783 8849 1 16 . 1 1 67 67 VAL C C 389 174.934 174.934 174.961 -0.027 17783 8850 1 16 . 1 1 67 67 VAL CA C 389 57.827 57.827 59.633 -1.806 17783 8851 1 16 . 1 1 67 67 VAL CB C 389 33.693 33.693 35.532 -1.839 17783 8852 1 16 . 1 1 67 67 VAL H H 389 9.314 9.314 8.352 0.962 17783 8853 1 16 . 1 1 68 68 SER N N 390 113.588 113.588 116.530 -2.942 17783 8854 1 16 . 1 1 68 68 SER HA H 390 4.850 4.850 4.953 -0.103 17783 8855 1 16 . 1 1 68 68 SER C C 390 174.691 174.691 174.800 -0.109 17783 8856 1 16 . 1 1 68 68 SER CA C 390 58.213 58.213 57.817 0.396 17783 8857 1 16 . 1 1 68 68 SER CB C 390 66.007 66.007 65.034 0.973 17783 8858 1 16 . 1 1 68 68 SER H H 390 8.803 8.803 8.584 0.219 17783 8859 1 16 . 1 1 69 69 GLY N N 391 115.161 115.161 115.259 -0.098 17783 8860 1 16 . 1 1 69 69 GLY C C 391 172.208 172.208 172.865 -0.657 17783 8861 1 16 . 1 1 69 69 GLY CA C 391 44.325 44.325 46.376 -2.051 17783 8862 1 16 . 1 1 69 69 GLY H H 391 8.436 8.436 8.680 -0.244 17783 8863 1 16 . 1 1 70 70 VAL N N 392 117.033 117.033 116.549 0.484 17783 8864 1 16 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.350 0.130 17783 8865 1 16 . 1 1 70 70 VAL C C 392 174.635 174.635 174.095 0.540 17783 8866 1 16 . 1 1 70 70 VAL CA C 392 62.203 62.203 60.900 1.303 17783 8867 1 16 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.208 0.029 17783 8868 1 16 . 1 1 70 70 VAL H H 392 7.188 7.188 7.560 -0.372 17783 8869 1 16 . 1 1 71 71 TYR N N 393 124.867 124.867 124.543 0.324 17783 8870 1 16 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.740 0.061 17783 8871 1 16 . 1 1 71 71 TYR C C 393 175.550 175.550 176.055 -0.505 17783 8872 1 16 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.643 -1.358 17783 8873 1 16 . 1 1 71 71 TYR CB C 393 42.543 42.543 40.293 2.250 17783 8874 1 16 . 1 1 71 71 TYR H H 393 9.517 9.517 8.857 0.660 17783 8875 1 16 . 1 1 72 72 ALA N N 394 124.217 124.217 125.722 -1.505 17783 8876 1 16 . 1 1 72 72 ALA HA H 394 2.771 2.771 4.062 -1.291 17783 8877 1 16 . 1 1 72 72 ALA C C 394 175.911 175.911 176.307 -0.396 17783 8878 1 16 . 1 1 72 72 ALA CA C 394 53.257 53.257 53.496 -0.239 17783 8879 1 16 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.391 -0.370 17783 8880 1 16 . 1 1 72 72 ALA H H 394 8.984 8.984 8.773 0.211 17783 8881 1 16 . 1 1 73 73 SER N N 395 106.325 106.325 110.174 -3.849 17783 8882 1 16 . 1 1 73 73 SER HA H 395 4.769 4.769 4.718 0.051 17783 8883 1 16 . 1 1 73 73 SER C C 395 173.686 173.686 174.629 -0.943 17783 8884 1 16 . 1 1 73 73 SER CA C 395 56.031 56.031 57.357 -1.326 17783 8885 1 16 . 1 1 73 73 SER CB C 395 66.773 66.773 65.324 1.449 17783 8886 1 16 . 1 1 73 73 SER H H 395 7.251 7.251 7.657 -0.406 17783 8887 1 16 . 1 1 74 74 LYS N N 396 123.531 123.531 123.280 0.251 17783 8888 1 16 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.579 -0.685 17783 8889 1 16 . 1 1 74 74 LYS C C 396 178.040 178.040 177.699 0.341 17783 8890 1 16 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.308 1.235 17783 8891 1 16 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.802 -0.166 17783 8892 1 16 . 1 1 74 74 LYS H H 396 8.742 8.742 8.492 0.250 17783 8893 1 16 . 1 1 75 75 GLU N N 397 118.740 118.740 117.954 0.786 17783 8894 1 16 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.908 -0.094 17783 8895 1 16 . 1 1 75 75 GLU C C 397 179.136 179.136 178.521 0.615 17783 8896 1 16 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.522 0.555 17783 8897 1 16 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.133 -0.385 17783 8898 1 16 . 1 1 75 75 GLU H H 397 8.529 8.529 8.515 0.014 17783 8899 1 16 . 1 1 76 76 GLU N N 398 119.987 119.987 119.065 0.922 17783 8900 1 16 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.178 -0.343 17783 8901 1 16 . 1 1 76 76 GLU C C 398 178.564 178.564 178.239 0.325 17783 8902 1 16 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.038 1.324 17783 8903 1 16 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.718 0.713 17783 8904 1 16 . 1 1 76 76 GLU H H 398 7.804 7.804 7.935 -0.131 17783 8905 1 16 . 1 1 77 77 ALA N N 399 122.630 122.630 121.511 1.119 17783 8906 1 16 . 1 1 77 77 ALA HA H 399 2.588 2.588 2.976 -0.388 17783 8907 1 16 . 1 1 77 77 ALA C C 399 177.764 177.764 178.807 -1.043 17783 8908 1 16 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.388 -0.027 17783 8909 1 16 . 1 1 77 77 ALA CB C 399 17.665 17.665 17.889 -0.224 17783 8910 1 16 . 1 1 77 77 ALA H H 399 7.294 7.294 7.285 0.009 17783 8911 1 16 . 1 1 78 78 LYS N N 400 115.403 115.403 119.157 -3.754 17783 8912 1 16 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.943 -0.173 17783 8913 1 16 . 1 1 78 78 LYS C C 400 180.700 180.700 178.803 1.897 17783 8914 1 16 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.961 0.581 17783 8915 1 16 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.310 -0.477 17783 8916 1 16 . 1 1 78 78 LYS H H 400 8.001 8.001 7.654 0.347 17783 8917 1 16 . 1 1 79 79 LYS N N 401 119.756 119.756 118.341 1.415 17783 8918 1 16 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.011 -0.042 17783 8919 1 16 . 1 1 79 79 LYS C C 401 178.347 178.347 178.653 -0.306 17783 8920 1 16 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.944 0.032 17783 8921 1 16 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.633 0.665 17783 8922 1 16 . 1 1 79 79 LYS H H 401 7.788 7.788 7.601 0.187 17783 8923 1 16 . 1 1 80 80 ALA N N 402 120.725 120.725 122.769 -2.044 17783 8924 1 16 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.051 0.092 17783 8925 1 16 . 1 1 80 80 ALA C C 402 180.118 180.118 179.212 0.906 17783 8926 1 16 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.910 -1.138 17783 8927 1 16 . 1 1 80 80 ALA CB C 402 18.469 18.469 18.230 0.239 17783 8928 1 16 . 1 1 80 80 ALA H H 402 7.334 7.334 7.326 0.008 17783 8929 1 16 . 1 1 81 81 VAL N N 403 120.431 120.431 117.873 2.558 17783 8930 1 16 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.654 -0.292 17783 8931 1 16 . 1 1 81 81 VAL C C 403 177.205 177.205 177.998 -0.793 17783 8932 1 16 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.756 0.972 17783 8933 1 16 . 1 1 81 81 VAL CB C 403 31.733 31.733 30.897 0.836 17783 8934 1 16 . 1 1 81 81 VAL H H 403 7.480 7.480 7.945 -0.465 17783 8935 1 16 . 1 1 82 82 SER N N 404 110.126 110.126 111.987 -1.861 17783 8936 1 16 . 1 1 82 82 SER HA H 404 4.143 4.143 4.179 -0.036 17783 8937 1 16 . 1 1 82 82 SER C C 404 174.813 174.813 175.618 -0.805 17783 8938 1 16 . 1 1 82 82 SER CA C 404 60.751 60.751 61.267 -0.516 17783 8939 1 16 . 1 1 82 82 SER CB C 404 63.287 63.287 63.292 -0.005 17783 8940 1 16 . 1 1 82 82 SER H H 404 7.326 7.326 8.140 -0.814 17783 8941 1 16 . 1 1 83 83 THR N N 405 110.438 110.438 113.168 -2.730 17783 8942 1 16 . 1 1 83 83 THR HA H 405 4.461 4.461 4.094 0.367 17783 8943 1 16 . 1 1 83 83 THR C C 405 175.081 175.081 175.226 -0.145 17783 8944 1 16 . 1 1 83 83 THR CA C 405 61.761 61.761 63.604 -1.843 17783 8945 1 16 . 1 1 83 83 THR CB C 405 69.795 69.795 69.153 0.642 17783 8946 1 16 . 1 1 83 83 THR H H 405 7.634 7.634 7.648 -0.014 17783 8947 1 16 . 1 1 84 84 LEU N N 406 123.244 123.244 122.502 0.742 17783 8948 1 16 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.239 0.401 17783 8949 1 16 . 1 1 84 84 LEU C C 406 174.599 174.599 175.831 -1.232 17783 8950 1 16 . 1 1 84 84 LEU CA C 406 53.295 53.295 53.770 -0.475 17783 8951 1 16 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.418 -0.709 17783 8952 1 16 . 1 1 84 84 LEU H H 406 7.478 7.478 7.480 -0.002 17783 8953 1 16 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.515 -0.022 17783 8954 1 16 . 1 1 85 85 PRO C C 407 177.743 177.743 177.230 0.513 17783 8955 1 16 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.346 0.798 17783 8956 1 16 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.437 0.484 17783 8957 1 16 . 1 1 86 86 ALA N N 408 128.809 128.809 122.429 6.380 17783 8958 1 16 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.067 -0.121 17783 8959 1 16 . 1 1 86 86 ALA C C 408 180.517 180.517 179.259 1.258 17783 8960 1 16 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.641 0.864 17783 8961 1 16 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.095 0.250 17783 8962 1 16 . 1 1 86 86 ALA H H 408 9.168 9.168 8.595 0.573 17783 8963 1 16 . 1 1 87 87 ASP N N 409 116.520 116.520 118.992 -2.472 17783 8964 1 16 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.384 0.078 17783 8965 1 16 . 1 1 87 87 ASP C C 409 178.081 178.081 178.421 -0.340 17783 8966 1 16 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.708 -0.773 17783 8967 1 16 . 1 1 87 87 ASP CB C 409 40.359 40.359 39.987 0.372 17783 8968 1 16 . 1 1 87 87 ASP H H 409 9.359 9.359 8.945 0.414 17783 8969 1 16 . 1 1 88 88 VAL N N 410 117.452 117.452 117.507 -0.055 17783 8970 1 16 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.028 0.061 17783 8971 1 16 . 1 1 88 88 VAL C C 410 178.675 178.675 178.401 0.274 17783 8972 1 16 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.668 -0.793 17783 8973 1 16 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.865 -0.580 17783 8974 1 16 . 1 1 88 88 VAL H H 410 7.355 7.355 7.927 -0.572 17783 8975 1 16 . 1 1 89 89 GLN N N 411 119.387 119.387 119.921 -0.534 17783 8976 1 16 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.034 -0.390 17783 8977 1 16 . 1 1 89 89 GLN C C 411 179.168 179.168 178.658 0.510 17783 8978 1 16 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.683 2.029 17783 8979 1 16 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.540 -0.029 17783 8980 1 16 . 1 1 89 89 GLN H H 411 8.271 8.271 8.316 -0.045 17783 8981 1 16 . 1 1 90 90 ALA N N 412 118.634 118.634 123.684 -5.050 17783 8982 1 16 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.173 0.092 17783 8983 1 16 . 1 1 90 90 ALA C C 412 177.949 177.949 178.613 -0.664 17783 8984 1 16 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.775 -0.834 17783 8985 1 16 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.437 -0.110 17783 8986 1 16 . 1 1 90 90 ALA H H 412 7.794 7.794 8.652 -0.858 17783 8987 1 16 . 1 1 91 91 LYS N N 413 115.842 115.842 116.058 -0.216 17783 8988 1 16 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.162 0.170 17783 8989 1 16 . 1 1 91 91 LYS C C 413 175.829 175.829 176.483 -0.654 17783 8990 1 16 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.389 -0.020 17783 8991 1 16 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.295 0.189 17783 8992 1 16 . 1 1 91 91 LYS H H 413 7.398 7.398 7.582 -0.184 17783 8993 1 16 . 1 1 92 92 ASN N N 414 113.776 113.776 118.323 -4.547 17783 8994 1 16 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.461 0.075 17783 8995 1 16 . 1 1 92 92 ASN C C 414 171.075 171.075 173.333 -2.258 17783 8996 1 16 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.043 1.020 17783 8997 1 16 . 1 1 92 92 ASN CB C 414 37.081 37.081 37.526 -0.445 17783 8998 1 16 . 1 1 92 92 ASN H H 414 8.178 8.178 7.750 0.428 17783 8999 1 16 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.640 0.362 17783 9000 1 16 . 1 1 93 93 PRO C C 415 175.682 175.682 176.370 -0.688 17783 9001 1 16 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.801 -0.311 17783 9002 1 16 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.296 1.289 17783 9003 1 16 . 1 1 94 94 TRP N N 416 117.925 117.925 119.573 -1.648 17783 9004 1 16 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.906 0.111 17783 9005 1 16 . 1 1 94 94 TRP C C 416 173.607 173.607 174.421 -0.814 17783 9006 1 16 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.067 -0.072 17783 9007 1 16 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.644 0.863 17783 9008 1 16 . 1 1 94 94 TRP H H 416 7.921 7.921 8.095 -0.174 17783 9009 1 16 . 1 1 95 95 ALA N N 417 123.924 123.924 125.137 -1.213 17783 9010 1 16 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.619 0.136 17783 9011 1 16 . 1 1 95 95 ALA C C 417 174.171 174.171 176.923 -2.752 17783 9012 1 16 . 1 1 95 95 ALA CA C 417 51.637 51.637 51.466 0.171 17783 9013 1 16 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.937 0.531 17783 9014 1 16 . 1 1 95 95 ALA H H 417 8.878 8.878 8.575 0.303 17783 9015 1 16 . 1 1 96 96 LYS N N 418 129.441 129.441 126.790 2.651 17783 9016 1 16 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.474 0.547 17783 9017 1 16 . 1 1 96 96 LYS C C 418 173.451 173.451 173.869 -0.418 17783 9018 1 16 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.462 0.103 17783 9019 1 16 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.480 4.503 17783 9020 1 16 . 1 1 96 96 LYS H H 418 9.235 9.235 8.092 1.143 17783 9021 1 16 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.198 -0.434 17783 9022 1 16 . 1 1 97 97 PRO C C 419 178.893 178.893 177.901 0.992 17783 9023 1 16 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.788 0.107 17783 9024 1 16 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.235 0.485 17783 9025 1 16 . 1 1 98 98 LEU N N 420 126.746 126.746 120.444 6.302 17783 9026 1 16 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.029 -0.226 17783 9027 1 16 . 1 1 98 98 LEU C C 420 179.040 179.040 178.471 0.569 17783 9028 1 16 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.652 0.716 17783 9029 1 16 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.405 -1.464 17783 9030 1 16 . 1 1 98 98 LEU H H 420 9.179 9.179 8.641 0.538 17783 9031 1 16 . 1 1 99 99 ARG N N 421 118.262 118.262 118.341 -0.079 17783 9032 1 16 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.233 -0.174 17783 9033 1 16 . 1 1 99 99 ARG C C 421 178.140 178.140 177.138 1.002 17783 9034 1 16 . 1 1 99 99 ARG CA C 421 59.093 59.093 57.859 1.234 17783 9035 1 16 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.353 0.603 17783 9036 1 16 . 1 1 99 99 ARG H H 421 8.014 8.014 8.346 -0.332 17783 9037 1 16 . 1 1 100 100 GLN N N 422 116.539 116.539 117.684 -1.145 17783 9038 1 16 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.427 -0.217 17783 9039 1 16 . 1 1 100 100 GLN C C 422 177.594 177.594 177.817 -0.223 17783 9040 1 16 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.001 0.732 17783 9041 1 16 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.449 -0.271 17783 9042 1 16 . 1 1 100 100 GLN H H 422 7.258 7.258 7.637 -0.379 17783 9043 1 16 . 1 1 101 101 VAL N N 423 119.665 119.665 121.436 -1.771 17783 9044 1 16 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.776 -0.228 17783 9045 1 16 . 1 1 101 101 VAL C C 423 177.040 177.040 177.535 -0.495 17783 9046 1 16 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.082 0.365 17783 9047 1 16 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.181 1.372 17783 9048 1 16 . 1 1 101 101 VAL H H 423 7.090 7.090 8.447 -1.357 17783 9049 1 16 . 1 1 102 102 GLN N N 424 115.032 115.032 118.624 -3.592 17783 9050 1 16 . 1 1 102 102 GLN HA H 424 3.565 3.565 4.012 -0.447 17783 9051 1 16 . 1 1 102 102 GLN C C 424 177.994 177.994 177.117 0.877 17783 9052 1 16 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.057 0.826 17783 9053 1 16 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.854 -0.794 17783 9054 1 16 . 1 1 102 102 GLN H H 424 8.553 8.553 7.834 0.719 17783 9055 1 16 . 1 1 103 103 ALA N N 425 120.742 120.742 124.178 -3.436 17783 9056 1 16 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.044 0.114 17783 9057 1 16 . 1 1 103 103 ALA C C 425 178.545 178.545 179.290 -0.745 17783 9058 1 16 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.535 -0.260 17783 9059 1 16 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.892 -0.570 17783 9060 1 16 . 1 1 103 103 ALA H H 425 7.366 7.366 8.184 -0.818 17783 9061 1 16 . 1 1 104 104 ASP N N 426 117.066 117.066 119.143 -2.077 17783 9062 1 16 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.493 0.215 17783 9063 1 16 . 1 1 104 104 ASP C C 426 176.876 176.876 177.664 -0.788 17783 9064 1 16 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.816 -0.593 17783 9065 1 16 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.912 1.588 17783 9066 1 16 . 1 1 104 104 ASP H H 426 7.628 7.628 7.910 -0.282 17783 9067 1 16 . 1 1 105 105 LEU N N 427 119.853 119.853 121.699 -1.846 17783 9068 1 16 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.040 0.259 17783 9069 1 16 . 1 1 105 105 LEU C C 427 176.118 176.118 176.039 0.079 17783 9070 1 16 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.822 -0.836 17783 9071 1 16 . 1 1 105 105 LEU CB C 427 42.078 42.078 41.795 0.283 17783 9072 1 16 . 1 1 105 105 LEU H H 427 7.242 7.242 7.573 -0.331 17783 9073 1 17 . 1 1 2 2 ARG N N 324 121.883 121.883 121.563 0.320 17783 9074 1 17 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.682 -0.338 17783 9075 1 17 . 1 1 2 2 ARG C C 324 176.887 176.887 175.600 1.287 17783 9076 1 17 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.947 -0.441 17783 9077 1 17 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.598 0.136 17783 9078 1 17 . 1 1 2 2 ARG H H 324 8.373 8.373 8.783 -0.410 17783 9079 1 17 . 1 1 3 3 GLY N N 325 111.231 111.231 112.691 -1.460 17783 9080 1 17 . 1 1 3 3 GLY C C 325 174.037 174.037 173.798 0.239 17783 9081 1 17 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.941 0.287 17783 9082 1 17 . 1 1 3 3 GLY H H 325 8.683 8.683 8.232 0.451 17783 9083 1 17 . 1 1 4 4 SER N N 326 115.541 115.541 117.523 -1.982 17783 9084 1 17 . 1 1 4 4 SER HA H 326 4.377 4.377 4.450 -0.073 17783 9085 1 17 . 1 1 4 4 SER C C 326 174.454 174.454 175.451 -0.997 17783 9086 1 17 . 1 1 4 4 SER CA C 326 58.315 58.315 57.810 0.505 17783 9087 1 17 . 1 1 4 4 SER CB C 326 63.902 63.902 64.322 -0.420 17783 9088 1 17 . 1 1 4 4 SER H H 326 8.237 8.237 8.267 -0.030 17783 9089 1 17 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.562 0.018 17783 9090 1 17 . 1 1 10 10 HIS C C 332 175.292 175.292 174.641 0.651 17783 9091 1 17 . 1 1 10 10 HIS CA C 332 55.946 55.946 54.415 1.531 17783 9092 1 17 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.480 0.643 17783 9093 1 17 . 1 1 11 11 GLY N N 333 110.527 110.527 110.263 0.264 17783 9094 1 17 . 1 1 11 11 GLY C C 333 174.126 174.126 174.671 -0.545 17783 9095 1 17 . 1 1 11 11 GLY CA C 333 45.327 45.327 46.020 -0.693 17783 9096 1 17 . 1 1 11 11 GLY H H 333 8.540 8.540 6.915 1.625 17783 9097 1 17 . 1 1 12 12 SER N N 334 115.752 115.752 116.137 -0.385 17783 9098 1 17 . 1 1 12 12 SER HA H 334 4.436 4.436 4.249 0.187 17783 9099 1 17 . 1 1 12 12 SER C C 334 174.538 174.538 174.675 -0.137 17783 9100 1 17 . 1 1 12 12 SER CA C 334 58.486 58.486 58.628 -0.142 17783 9101 1 17 . 1 1 12 12 SER CB C 334 63.927 63.927 63.986 -0.059 17783 9102 1 17 . 1 1 12 12 SER H H 334 8.356 8.356 7.923 0.433 17783 9103 1 17 . 1 1 13 13 ASN N N 335 120.410 120.410 121.538 -1.128 17783 9104 1 17 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.773 -0.044 17783 9105 1 17 . 1 1 13 13 ASN C C 335 175.116 175.116 174.094 1.022 17783 9106 1 17 . 1 1 13 13 ASN CA C 335 53.386 53.386 52.996 0.390 17783 9107 1 17 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.771 -0.103 17783 9108 1 17 . 1 1 13 13 ASN H H 335 8.575 8.575 8.722 -0.147 17783 9109 1 17 . 1 1 14 14 ASN N N 336 119.094 119.094 119.041 0.053 17783 9110 1 17 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.680 0.049 17783 9111 1 17 . 1 1 14 14 ASN C C 336 175.395 175.395 174.846 0.549 17783 9112 1 17 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.047 0.338 17783 9113 1 17 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.941 -0.272 17783 9114 1 17 . 1 1 14 14 ASN H H 336 8.447 8.447 7.941 0.506 17783 9115 1 17 . 1 1 15 15 ASN N N 337 118.915 118.915 116.007 2.908 17783 9116 1 17 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.779 -0.245 17783 9117 1 17 . 1 1 15 15 ASN C C 337 176.390 176.390 174.808 1.582 17783 9118 1 17 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.516 0.475 17783 9119 1 17 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.452 -0.831 17783 9120 1 17 . 1 1 15 15 ASN H H 337 8.446 8.446 8.794 -0.348 17783 9121 1 17 . 1 1 16 16 GLY N N 338 108.851 108.851 108.494 0.357 17783 9122 1 17 . 1 1 16 16 GLY C C 338 175.459 175.459 174.853 0.606 17783 9123 1 17 . 1 1 16 16 GLY CA C 338 46.752 46.752 44.963 1.789 17783 9124 1 17 . 1 1 16 16 GLY H H 338 8.454 8.454 7.959 0.495 17783 9125 1 17 . 1 1 17 17 SER N N 339 116.218 116.218 116.984 -0.766 17783 9126 1 17 . 1 1 17 17 SER HA H 339 4.229 4.229 4.180 0.049 17783 9127 1 17 . 1 1 17 17 SER C C 339 175.869 175.869 176.136 -0.267 17783 9128 1 17 . 1 1 17 17 SER CA C 339 59.759 59.759 60.325 -0.566 17783 9129 1 17 . 1 1 17 17 SER CB C 339 62.973 62.973 62.988 -0.015 17783 9130 1 17 . 1 1 17 17 SER H H 339 8.170 8.170 8.568 -0.398 17783 9131 1 17 . 1 1 18 18 LEU N N 340 121.515 121.515 117.048 4.467 17783 9132 1 17 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.544 -0.542 17783 9133 1 17 . 1 1 18 18 LEU C C 340 178.399 178.399 177.999 0.400 17783 9134 1 17 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.748 0.403 17783 9135 1 17 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.674 0.402 17783 9136 1 17 . 1 1 18 18 LEU H H 340 7.790 7.790 7.853 -0.063 17783 9137 1 17 . 1 1 19 19 LYS N N 341 117.145 117.145 117.572 -0.427 17783 9138 1 17 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.159 -0.351 17783 9139 1 17 . 1 1 19 19 LYS C C 341 176.960 176.960 177.731 -0.771 17783 9140 1 17 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.048 1.144 17783 9141 1 17 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.373 0.420 17783 9142 1 17 . 1 1 19 19 LYS H H 341 7.893 7.893 8.032 -0.139 17783 9143 1 17 . 1 1 20 20 SER N N 342 110.377 110.377 114.391 -4.014 17783 9144 1 17 . 1 1 20 20 SER HA H 342 4.369 4.369 4.265 0.104 17783 9145 1 17 . 1 1 20 20 SER C C 342 173.735 173.735 174.990 -1.255 17783 9146 1 17 . 1 1 20 20 SER CA C 342 58.141 58.141 60.033 -1.892 17783 9147 1 17 . 1 1 20 20 SER CB C 342 63.900 63.900 63.566 0.334 17783 9148 1 17 . 1 1 20 20 SER H H 342 7.546 7.546 7.682 -0.136 17783 9149 1 17 . 1 1 21 21 ALA N N 343 125.662 125.662 126.309 -0.647 17783 9150 1 17 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.586 -0.224 17783 9151 1 17 . 1 1 21 21 ALA C C 343 174.051 174.051 175.355 -1.304 17783 9152 1 17 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.489 1.083 17783 9153 1 17 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.779 -0.645 17783 9154 1 17 . 1 1 21 21 ALA H H 343 6.852 6.852 7.550 -0.698 17783 9155 1 17 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.390 -0.152 17783 9156 1 17 . 1 1 22 22 PRO C C 344 178.184 178.184 176.532 1.652 17783 9157 1 17 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.967 0.115 17783 9158 1 17 . 1 1 22 22 PRO CB C 344 31.604 31.604 31.734 -0.130 17783 9159 1 17 . 1 1 23 23 SER N N 345 118.662 118.662 119.260 -0.598 17783 9160 1 17 . 1 1 23 23 SER HA H 345 3.825 3.825 4.286 -0.461 17783 9161 1 17 . 1 1 23 23 SER C C 345 174.231 174.231 175.381 -1.150 17783 9162 1 17 . 1 1 23 23 SER CA C 345 60.892 60.892 59.221 1.671 17783 9163 1 17 . 1 1 23 23 SER CB C 345 63.223 63.223 62.983 0.239 17783 9164 1 17 . 1 1 23 23 SER H H 345 8.566 8.566 8.470 0.096 17783 9165 1 17 . 1 1 24 24 SER N N 346 111.938 111.938 118.603 -6.665 17783 9166 1 17 . 1 1 24 24 SER HA H 346 4.383 4.383 4.388 -0.005 17783 9167 1 17 . 1 1 24 24 SER C C 346 175.152 175.152 173.015 2.137 17783 9168 1 17 . 1 1 24 24 SER CA C 346 58.247 58.247 58.796 -0.549 17783 9169 1 17 . 1 1 24 24 SER CB C 346 63.958 63.958 61.763 2.196 17783 9170 1 17 . 1 1 24 24 SER H H 346 7.675 7.675 8.060 -0.385 17783 9171 1 17 . 1 1 25 25 HIS N N 347 122.882 122.882 117.788 5.094 17783 9172 1 17 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.981 -0.131 17783 9173 1 17 . 1 1 25 25 HIS C C 347 173.574 173.574 173.977 -0.403 17783 9174 1 17 . 1 1 25 25 HIS CA C 347 56.075 56.075 54.983 1.092 17783 9175 1 17 . 1 1 25 25 HIS CB C 347 31.848 31.848 33.346 -1.498 17783 9176 1 17 . 1 1 25 25 HIS H H 347 7.628 7.628 7.416 0.212 17783 9177 1 17 . 1 1 26 26 TYR N N 348 117.921 117.921 119.981 -2.060 17783 9178 1 17 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.755 0.234 17783 9179 1 17 . 1 1 26 26 TYR C C 348 174.086 174.086 175.222 -1.136 17783 9180 1 17 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.123 0.064 17783 9181 1 17 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.876 1.958 17783 9182 1 17 . 1 1 26 26 TYR H H 348 9.606 9.606 8.548 1.058 17783 9183 1 17 . 1 1 27 27 THR N N 349 115.914 115.914 115.308 0.606 17783 9184 1 17 . 1 1 27 27 THR HA H 349 5.027 5.027 4.653 0.374 17783 9185 1 17 . 1 1 27 27 THR C C 349 172.904 172.904 173.468 -0.564 17783 9186 1 17 . 1 1 27 27 THR CA C 349 58.835 58.835 61.398 -2.563 17783 9187 1 17 . 1 1 27 27 THR CB C 349 70.587 70.587 69.232 1.355 17783 9188 1 17 . 1 1 27 27 THR H H 349 8.974 8.974 8.464 0.510 17783 9189 1 17 . 1 1 28 28 LEU N N 350 123.392 123.392 127.161 -3.769 17783 9190 1 17 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.222 0.767 17783 9191 1 17 . 1 1 28 28 LEU C C 350 176.111 176.111 176.455 -0.344 17783 9192 1 17 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.989 -2.890 17783 9193 1 17 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.153 2.717 17783 9194 1 17 . 1 1 28 28 LEU H H 350 8.249 8.249 8.573 -0.324 17783 9195 1 17 . 1 1 29 29 GLN N N 351 122.797 122.797 116.003 6.794 17783 9196 1 17 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.600 -0.047 17783 9197 1 17 . 1 1 29 29 GLN C C 351 175.435 175.435 174.926 0.509 17783 9198 1 17 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.996 0.947 17783 9199 1 17 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.578 -3.347 17783 9200 1 17 . 1 1 29 29 GLN H H 351 8.915 8.915 8.162 0.753 17783 9201 1 17 . 1 1 30 30 LEU N N 352 125.239 125.239 120.327 4.912 17783 9202 1 17 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.981 -0.614 17783 9203 1 17 . 1 1 30 30 LEU C C 352 177.250 177.250 176.107 1.143 17783 9204 1 17 . 1 1 30 30 LEU CA C 352 56.101 56.101 54.417 1.684 17783 9205 1 17 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.444 -0.344 17783 9206 1 17 . 1 1 30 30 LEU H H 352 8.920 8.920 8.664 0.256 17783 9207 1 17 . 1 1 31 31 SER N N 353 106.816 106.816 116.429 -9.613 17783 9208 1 17 . 1 1 31 31 SER HA H 353 4.493 4.493 4.913 -0.420 17783 9209 1 17 . 1 1 31 31 SER C C 353 171.831 171.831 173.653 -1.822 17783 9210 1 17 . 1 1 31 31 SER CA C 353 57.160 57.160 57.816 -0.656 17783 9211 1 17 . 1 1 31 31 SER CB C 353 64.360 64.360 66.166 -1.806 17783 9212 1 17 . 1 1 31 31 SER H H 353 7.548 7.548 8.291 -0.743 17783 9213 1 17 . 1 1 32 32 SER N N 354 113.518 113.518 121.069 -7.551 17783 9214 1 17 . 1 1 32 32 SER HA H 354 5.026 5.026 4.647 0.379 17783 9215 1 17 . 1 1 32 32 SER C C 354 172.512 172.512 172.348 0.164 17783 9216 1 17 . 1 1 32 32 SER CA C 354 57.285 57.285 57.282 0.003 17783 9217 1 17 . 1 1 32 32 SER CB C 354 65.347 65.347 66.258 -0.911 17783 9218 1 17 . 1 1 32 32 SER H H 354 8.127 8.127 8.364 -0.237 17783 9219 1 17 . 1 1 33 33 SER N N 355 114.624 114.624 115.792 -1.168 17783 9220 1 17 . 1 1 33 33 SER HA H 355 4.106 4.106 3.995 0.111 17783 9221 1 17 . 1 1 33 33 SER C C 355 171.639 171.639 171.533 0.106 17783 9222 1 17 . 1 1 33 33 SER CA C 355 57.276 57.276 58.076 -0.800 17783 9223 1 17 . 1 1 33 33 SER CB C 355 64.539 64.539 64.361 0.178 17783 9224 1 17 . 1 1 33 33 SER H H 355 8.616 8.616 6.468 2.148 17783 9225 1 17 . 1 1 34 34 SER N N 356 116.467 116.467 114.933 1.534 17783 9226 1 17 . 1 1 34 34 SER HA H 356 4.241 4.241 4.991 -0.750 17783 9227 1 17 . 1 1 34 34 SER C C 356 173.820 173.820 172.763 1.057 17783 9228 1 17 . 1 1 34 34 SER CA C 356 59.074 59.074 57.508 1.566 17783 9229 1 17 . 1 1 34 34 SER CB C 356 63.741 63.741 63.668 0.073 17783 9230 1 17 . 1 1 34 34 SER H H 356 8.132 8.132 8.188 -0.056 17783 9231 1 17 . 1 1 35 35 ASN N N 357 122.206 122.206 118.201 4.005 17783 9232 1 17 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.005 -0.084 17783 9233 1 17 . 1 1 35 35 ASN C C 357 172.965 172.965 174.158 -1.193 17783 9234 1 17 . 1 1 35 35 ASN CA C 357 52.447 52.447 52.794 -0.347 17783 9235 1 17 . 1 1 35 35 ASN CB C 357 40.925 40.925 39.356 1.569 17783 9236 1 17 . 1 1 35 35 ASN H H 357 8.511 8.511 8.108 0.403 17783 9237 1 17 . 1 1 36 36 TYR N N 358 127.519 127.519 123.530 3.989 17783 9238 1 17 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.158 -1.186 17783 9239 1 17 . 1 1 36 36 TYR C C 358 176.522 176.522 176.010 0.512 17783 9240 1 17 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.956 0.013 17783 9241 1 17 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.680 -0.969 17783 9242 1 17 . 1 1 36 36 TYR H H 358 8.002 8.002 8.875 -0.873 17783 9243 1 17 . 1 1 37 37 ASP N N 359 118.658 118.658 118.267 0.391 17783 9244 1 17 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.420 -0.276 17783 9245 1 17 . 1 1 37 37 ASP C C 359 179.804 179.804 178.399 1.405 17783 9246 1 17 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.760 -0.257 17783 9247 1 17 . 1 1 37 37 ASP CB C 359 40.178 40.178 39.655 0.523 17783 9248 1 17 . 1 1 37 37 ASP H H 359 8.033 8.033 9.107 -1.074 17783 9249 1 17 . 1 1 38 38 ASN N N 360 119.802 119.802 116.565 3.237 17783 9250 1 17 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.709 -0.406 17783 9251 1 17 . 1 1 38 38 ASN C C 360 177.720 177.720 176.895 0.825 17783 9252 1 17 . 1 1 38 38 ASN CA C 360 55.450 55.450 54.646 0.804 17783 9253 1 17 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.348 -0.585 17783 9254 1 17 . 1 1 38 38 ASN H H 360 8.380 8.380 8.516 -0.136 17783 9255 1 17 . 1 1 39 39 LEU N N 361 121.625 121.625 122.156 -0.531 17783 9256 1 17 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.129 -0.032 17783 9257 1 17 . 1 1 39 39 LEU C C 361 177.738 177.738 177.652 0.086 17783 9258 1 17 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.436 -0.871 17783 9259 1 17 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.943 0.785 17783 9260 1 17 . 1 1 39 39 LEU H H 361 7.243 7.243 8.169 -0.926 17783 9261 1 17 . 1 1 40 40 ASN N N 362 116.601 116.601 116.736 -0.135 17783 9262 1 17 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.329 -0.184 17783 9263 1 17 . 1 1 40 40 ASN C C 362 177.253 177.253 177.569 -0.316 17783 9264 1 17 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.368 0.159 17783 9265 1 17 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.334 0.992 17783 9266 1 17 . 1 1 40 40 ASN H H 362 8.284 8.284 8.032 0.252 17783 9267 1 17 . 1 1 41 41 GLY N N 363 104.958 104.958 106.956 -1.998 17783 9268 1 17 . 1 1 41 41 GLY C C 363 176.323 176.323 174.932 1.391 17783 9269 1 17 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.422 0.417 17783 9270 1 17 . 1 1 41 41 GLY H H 363 8.334 8.334 7.767 0.567 17783 9271 1 17 . 1 1 42 42 TRP N N 364 125.066 125.066 122.988 2.078 17783 9272 1 17 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.686 -0.460 17783 9273 1 17 . 1 1 42 42 TRP C C 364 176.509 176.509 176.953 -0.444 17783 9274 1 17 . 1 1 42 42 TRP CA C 364 61.489 61.489 59.426 2.063 17783 9275 1 17 . 1 1 42 42 TRP CB C 364 27.876 27.876 30.482 -2.606 17783 9276 1 17 . 1 1 42 42 TRP H H 364 7.833 7.833 7.600 0.233 17783 9277 1 17 . 1 1 43 43 ALA N N 365 120.030 120.030 122.074 -2.044 17783 9278 1 17 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.495 -0.501 17783 9279 1 17 . 1 1 43 43 ALA C C 365 179.186 179.186 179.504 -0.318 17783 9280 1 17 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.067 -0.066 17783 9281 1 17 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.066 -0.978 17783 9282 1 17 . 1 1 43 43 ALA H H 365 7.701 7.701 8.927 -1.226 17783 9283 1 17 . 1 1 44 44 LYS N N 366 115.064 115.064 116.363 -1.299 17783 9284 1 17 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.974 0.059 17783 9285 1 17 . 1 1 44 44 LYS C C 366 180.830 180.830 179.180 1.650 17783 9286 1 17 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.727 0.264 17783 9287 1 17 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.079 0.271 17783 9288 1 17 . 1 1 44 44 LYS H H 366 7.562 7.562 7.633 -0.071 17783 9289 1 17 . 1 1 45 45 LYS N N 367 123.180 123.180 119.922 3.258 17783 9290 1 17 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.003 -0.096 17783 9291 1 17 . 1 1 45 45 LYS C C 367 178.319 178.319 178.618 -0.299 17783 9292 1 17 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.683 0.361 17783 9293 1 17 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.118 -0.052 17783 9294 1 17 . 1 1 45 45 LYS H H 367 8.067 8.067 7.854 0.213 17783 9295 1 17 . 1 1 46 46 GLU N N 368 114.882 114.882 115.202 -0.320 17783 9296 1 17 . 1 1 46 46 GLU HA H 368 3.917 3.917 3.919 -0.002 17783 9297 1 17 . 1 1 46 46 GLU C C 368 174.639 174.639 175.951 -1.312 17783 9298 1 17 . 1 1 46 46 GLU CA C 368 55.016 55.016 57.473 -2.457 17783 9299 1 17 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.240 -1.563 17783 9300 1 17 . 1 1 46 46 GLU H H 368 7.488 7.488 7.389 0.099 17783 9301 1 17 . 1 1 47 47 ASN N N 369 114.944 114.944 114.269 0.675 17783 9302 1 17 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.250 0.022 17783 9303 1 17 . 1 1 47 47 ASN C C 369 174.759 174.759 173.994 0.765 17783 9304 1 17 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.678 0.026 17783 9305 1 17 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.069 0.990 17783 9306 1 17 . 1 1 47 47 ASN H H 369 7.772 7.772 7.516 0.257 17783 9307 1 17 . 1 1 48 48 LEU N N 370 116.008 116.008 118.579 -2.571 17783 9308 1 17 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.952 0.168 17783 9309 1 17 . 1 1 48 48 LEU C C 370 177.056 177.056 176.441 0.615 17783 9310 1 17 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.816 -0.698 17783 9311 1 17 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.867 1.050 17783 9312 1 17 . 1 1 48 48 LEU H H 370 7.463 7.463 7.242 0.221 17783 9313 1 17 . 1 1 49 49 LYS N N 371 120.012 120.012 124.185 -4.173 17783 9314 1 17 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.525 0.035 17783 9315 1 17 . 1 1 49 49 LYS C C 371 176.481 176.481 176.219 0.262 17783 9316 1 17 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.558 -0.229 17783 9317 1 17 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.566 0.989 17783 9318 1 17 . 1 1 49 49 LYS H H 371 8.518 8.518 8.315 0.203 17783 9319 1 17 . 1 1 50 50 ASN N N 372 117.610 117.610 118.385 -0.775 17783 9320 1 17 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.369 0.145 17783 9321 1 17 . 1 1 50 50 ASN C C 372 173.445 173.445 173.765 -0.320 17783 9322 1 17 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.209 -0.772 17783 9323 1 17 . 1 1 50 50 ASN CB C 372 37.932 37.932 37.274 0.658 17783 9324 1 17 . 1 1 50 50 ASN H H 372 8.734 8.734 8.844 -0.110 17783 9325 1 17 . 1 1 51 51 TYR N N 373 117.151 117.151 115.000 2.151 17783 9326 1 17 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.261 0.134 17783 9327 1 17 . 1 1 51 51 TYR C C 373 173.549 173.549 173.895 -0.346 17783 9328 1 17 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.218 -0.436 17783 9329 1 17 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.241 0.170 17783 9330 1 17 . 1 1 51 51 TYR H H 373 7.570 7.570 7.627 -0.057 17783 9331 1 17 . 1 1 52 52 VAL N N 374 120.887 120.887 122.173 -1.286 17783 9332 1 17 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.410 -0.112 17783 9333 1 17 . 1 1 52 52 VAL C C 374 174.289 174.289 174.253 0.036 17783 9334 1 17 . 1 1 52 52 VAL CA C 374 61.714 61.714 60.914 0.800 17783 9335 1 17 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.416 2.168 17783 9336 1 17 . 1 1 52 52 VAL H H 374 9.140 9.140 8.854 0.286 17783 9337 1 17 . 1 1 53 53 VAL N N 375 126.060 126.060 123.128 2.932 17783 9338 1 17 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.538 0.877 17783 9339 1 17 . 1 1 53 53 VAL C C 375 175.803 175.803 175.410 0.393 17783 9340 1 17 . 1 1 53 53 VAL CA C 375 60.656 60.656 61.141 -0.485 17783 9341 1 17 . 1 1 53 53 VAL CB C 375 32.736 32.736 32.088 0.648 17783 9342 1 17 . 1 1 53 53 VAL H H 375 8.600 8.600 8.323 0.277 17783 9343 1 17 . 1 1 54 54 TYR N N 376 125.706 125.706 124.340 1.366 17783 9344 1 17 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.088 0.334 17783 9345 1 17 . 1 1 54 54 TYR C C 376 172.139 172.139 173.671 -1.532 17783 9346 1 17 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.685 -0.556 17783 9347 1 17 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.222 1.435 17783 9348 1 17 . 1 1 54 54 TYR H H 376 9.292 9.292 8.415 0.877 17783 9349 1 17 . 1 1 55 55 GLU N N 377 122.063 122.063 119.427 2.636 17783 9350 1 17 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.735 0.979 17783 9351 1 17 . 1 1 55 55 GLU C C 377 175.011 175.011 175.363 -0.352 17783 9352 1 17 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.218 -0.075 17783 9353 1 17 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.002 2.657 17783 9354 1 17 . 1 1 55 55 GLU H H 377 8.758 8.758 8.699 0.059 17783 9355 1 17 . 1 1 56 56 THR N N 378 122.855 122.855 115.582 7.273 17783 9356 1 17 . 1 1 56 56 THR HA H 378 4.848 4.848 4.546 0.302 17783 9357 1 17 . 1 1 56 56 THR C C 378 173.550 173.550 173.213 0.337 17783 9358 1 17 . 1 1 56 56 THR CA C 378 58.732 58.732 60.627 -1.895 17783 9359 1 17 . 1 1 56 56 THR CB C 378 70.181 70.181 71.234 -1.053 17783 9360 1 17 . 1 1 56 56 THR H H 378 9.160 9.160 7.664 1.496 17783 9361 1 17 . 1 1 57 57 THR N N 379 116.629 116.629 113.588 3.041 17783 9362 1 17 . 1 1 57 57 THR HA H 379 5.145 5.145 4.635 0.510 17783 9363 1 17 . 1 1 57 57 THR C C 379 173.973 173.973 173.461 0.512 17783 9364 1 17 . 1 1 57 57 THR CA C 379 60.517 60.517 60.464 0.053 17783 9365 1 17 . 1 1 57 57 THR CB C 379 71.582 71.582 70.286 1.296 17783 9366 1 17 . 1 1 57 57 THR H H 379 8.677 8.677 8.636 0.041 17783 9367 1 17 . 1 1 58 58 ARG N N 380 124.546 124.546 122.995 1.551 17783 9368 1 17 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.506 -0.198 17783 9369 1 17 . 1 1 58 58 ARG C C 380 176.074 176.074 174.507 1.567 17783 9370 1 17 . 1 1 58 58 ARG CA C 380 55.510 55.510 57.038 -1.528 17783 9371 1 17 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.436 1.037 17783 9372 1 17 . 1 1 58 58 ARG H H 380 9.117 9.117 8.585 0.532 17783 9373 1 17 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.505 -0.199 17783 9374 1 17 . 1 1 59 59 ASN C C 381 175.444 175.444 175.346 0.098 17783 9375 1 17 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.606 0.631 17783 9376 1 17 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.860 -0.647 17783 9377 1 17 . 1 1 60 60 GLY N N 382 103.015 103.015 106.521 -3.506 17783 9378 1 17 . 1 1 60 60 GLY C C 382 173.488 173.488 173.624 -0.136 17783 9379 1 17 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.182 -0.709 17783 9380 1 17 . 1 1 60 60 GLY H H 382 8.639 8.639 8.633 0.006 17783 9381 1 17 . 1 1 61 61 GLN N N 383 119.903 119.903 118.030 1.873 17783 9382 1 17 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.488 0.512 17783 9383 1 17 . 1 1 61 61 GLN C C 383 172.730 172.730 173.617 -0.887 17783 9384 1 17 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.688 0.004 17783 9385 1 17 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.037 0.674 17783 9386 1 17 . 1 1 61 61 GLN H H 383 7.697 7.697 7.901 -0.204 17783 9387 1 17 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.385 0.229 17783 9388 1 17 . 1 1 62 62 PRO C C 384 175.576 175.576 175.463 0.113 17783 9389 1 17 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.934 1.068 17783 9390 1 17 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.068 0.477 17783 9391 1 17 . 1 1 63 63 TRP N N 385 126.621 126.621 125.389 1.232 17783 9392 1 17 . 1 1 63 63 TRP HA H 385 4.511 4.511 5.000 -0.489 17783 9393 1 17 . 1 1 63 63 TRP C C 385 172.096 172.096 173.755 -1.659 17783 9394 1 17 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.394 0.688 17783 9395 1 17 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.830 1.344 17783 9396 1 17 . 1 1 63 63 TRP H H 385 8.063 8.063 8.542 -0.479 17783 9397 1 17 . 1 1 64 64 TYR N N 386 124.129 124.129 125.832 -1.703 17783 9398 1 17 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.204 1.014 17783 9399 1 17 . 1 1 64 64 TYR C C 386 173.544 173.544 173.988 -0.444 17783 9400 1 17 . 1 1 64 64 TYR CA C 386 56.769 56.769 57.069 -0.300 17783 9401 1 17 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.975 3.458 17783 9402 1 17 . 1 1 64 64 TYR H H 386 7.954 7.954 8.126 -0.172 17783 9403 1 17 . 1 1 65 65 VAL N N 387 121.167 121.167 121.325 -0.158 17783 9404 1 17 . 1 1 65 65 VAL HA H 387 3.863 3.863 3.951 -0.088 17783 9405 1 17 . 1 1 65 65 VAL C C 387 172.675 172.675 174.093 -1.418 17783 9406 1 17 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.260 0.998 17783 9407 1 17 . 1 1 65 65 VAL CB C 387 34.133 34.133 34.074 0.059 17783 9408 1 17 . 1 1 65 65 VAL H H 387 8.409 8.409 6.848 1.561 17783 9409 1 17 . 1 1 66 66 LEU N N 388 127.479 127.479 123.249 4.230 17783 9410 1 17 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.990 0.433 17783 9411 1 17 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.159 0.337 17783 9412 1 17 . 1 1 66 66 LEU CB C 388 44.755 44.755 45.184 -0.429 17783 9413 1 17 . 1 1 66 66 LEU H H 388 8.200 8.200 8.316 -0.116 17783 9414 1 17 . 1 1 67 67 VAL N N 389 120.778 120.778 112.501 8.277 17783 9415 1 17 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.605 1.235 17783 9416 1 17 . 1 1 67 67 VAL C C 389 174.934 174.934 175.302 -0.368 17783 9417 1 17 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.822 -2.995 17783 9418 1 17 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.837 -1.144 17783 9419 1 17 . 1 1 67 67 VAL H H 389 9.314 9.314 8.588 0.726 17783 9420 1 17 . 1 1 68 68 SER N N 390 113.588 113.588 121.259 -7.671 17783 9421 1 17 . 1 1 68 68 SER HA H 390 4.850 4.850 4.818 0.032 17783 9422 1 17 . 1 1 68 68 SER C C 390 174.691 174.691 175.560 -0.869 17783 9423 1 17 . 1 1 68 68 SER CA C 390 58.213 58.213 57.763 0.450 17783 9424 1 17 . 1 1 68 68 SER CB C 390 66.007 66.007 61.744 4.263 17783 9425 1 17 . 1 1 68 68 SER H H 390 8.803 8.803 8.766 0.037 17783 9426 1 17 . 1 1 69 69 GLY N N 391 115.161 115.161 113.512 1.649 17783 9427 1 17 . 1 1 69 69 GLY C C 391 172.208 172.208 172.965 -0.757 17783 9428 1 17 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.276 -0.951 17783 9429 1 17 . 1 1 69 69 GLY H H 391 8.436 8.436 7.869 0.567 17783 9430 1 17 . 1 1 70 70 VAL N N 392 117.033 117.033 120.816 -3.783 17783 9431 1 17 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.285 0.195 17783 9432 1 17 . 1 1 70 70 VAL C C 392 174.635 174.635 174.036 0.599 17783 9433 1 17 . 1 1 70 70 VAL CA C 392 62.203 62.203 60.406 1.797 17783 9434 1 17 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.812 0.424 17783 9435 1 17 . 1 1 70 70 VAL H H 392 7.188 7.188 7.831 -0.643 17783 9436 1 17 . 1 1 71 71 TYR N N 393 124.867 124.867 124.515 0.352 17783 9437 1 17 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.728 0.073 17783 9438 1 17 . 1 1 71 71 TYR C C 393 175.550 175.550 176.011 -0.461 17783 9439 1 17 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.181 -0.896 17783 9440 1 17 . 1 1 71 71 TYR CB C 393 42.543 42.543 38.927 3.616 17783 9441 1 17 . 1 1 71 71 TYR H H 393 9.517 9.517 8.382 1.135 17783 9442 1 17 . 1 1 72 72 ALA N N 394 124.217 124.217 126.804 -2.587 17783 9443 1 17 . 1 1 72 72 ALA HA H 394 2.771 2.771 4.155 -1.384 17783 9444 1 17 . 1 1 72 72 ALA C C 394 175.911 175.911 177.160 -1.249 17783 9445 1 17 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.025 -0.768 17783 9446 1 17 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.209 -0.188 17783 9447 1 17 . 1 1 72 72 ALA H H 394 8.984 8.984 8.770 0.214 17783 9448 1 17 . 1 1 73 73 SER N N 395 106.325 106.325 109.660 -3.335 17783 9449 1 17 . 1 1 73 73 SER HA H 395 4.769 4.769 4.698 0.071 17783 9450 1 17 . 1 1 73 73 SER C C 395 173.686 173.686 173.843 -0.157 17783 9451 1 17 . 1 1 73 73 SER CA C 395 56.031 56.031 57.644 -1.613 17783 9452 1 17 . 1 1 73 73 SER CB C 395 66.773 66.773 65.015 1.758 17783 9453 1 17 . 1 1 73 73 SER H H 395 7.251 7.251 7.562 -0.311 17783 9454 1 17 . 1 1 74 74 LYS N N 396 123.531 123.531 121.815 1.716 17783 9455 1 17 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.914 -1.020 17783 9456 1 17 . 1 1 74 74 LYS C C 396 178.040 178.040 177.873 0.167 17783 9457 1 17 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.995 1.548 17783 9458 1 17 . 1 1 74 74 LYS CB C 396 31.636 31.636 32.066 -0.430 17783 9459 1 17 . 1 1 74 74 LYS H H 396 8.742 8.742 8.851 -0.109 17783 9460 1 17 . 1 1 75 75 GLU N N 397 118.740 118.740 118.197 0.543 17783 9461 1 17 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.917 -0.103 17783 9462 1 17 . 1 1 75 75 GLU C C 397 179.136 179.136 178.720 0.416 17783 9463 1 17 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.328 0.749 17783 9464 1 17 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.265 -0.516 17783 9465 1 17 . 1 1 75 75 GLU H H 397 8.529 8.529 8.309 0.220 17783 9466 1 17 . 1 1 76 76 GLU N N 398 119.987 119.987 118.687 1.300 17783 9467 1 17 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.153 -0.318 17783 9468 1 17 . 1 1 76 76 GLU C C 398 178.564 178.564 178.266 0.298 17783 9469 1 17 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.233 1.129 17783 9470 1 17 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.602 0.829 17783 9471 1 17 . 1 1 76 76 GLU H H 398 7.804 7.804 7.572 0.232 17783 9472 1 17 . 1 1 77 77 ALA N N 399 122.630 122.630 121.364 1.266 17783 9473 1 17 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.192 -0.604 17783 9474 1 17 . 1 1 77 77 ALA C C 399 177.764 177.764 178.719 -0.955 17783 9475 1 17 . 1 1 77 77 ALA CA C 399 54.361 54.361 53.927 0.434 17783 9476 1 17 . 1 1 77 77 ALA CB C 399 17.665 17.665 17.879 -0.214 17783 9477 1 17 . 1 1 77 77 ALA H H 399 7.294 7.294 7.386 -0.092 17783 9478 1 17 . 1 1 78 78 LYS N N 400 115.403 115.403 119.714 -4.311 17783 9479 1 17 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.885 -0.115 17783 9480 1 17 . 1 1 78 78 LYS C C 400 180.700 180.700 178.513 2.187 17783 9481 1 17 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.150 0.392 17783 9482 1 17 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.134 -0.301 17783 9483 1 17 . 1 1 78 78 LYS H H 400 8.001 8.001 7.507 0.494 17783 9484 1 17 . 1 1 79 79 LYS N N 401 119.756 119.756 119.868 -0.112 17783 9485 1 17 . 1 1 79 79 LYS HA H 401 3.969 3.969 3.978 -0.009 17783 9486 1 17 . 1 1 79 79 LYS C C 401 178.347 178.347 179.023 -0.676 17783 9487 1 17 . 1 1 79 79 LYS CA C 401 58.976 58.976 59.064 -0.088 17783 9488 1 17 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.279 0.019 17783 9489 1 17 . 1 1 79 79 LYS H H 401 7.788 7.788 7.920 -0.132 17783 9490 1 17 . 1 1 80 80 ALA N N 402 120.725 120.725 122.627 -1.902 17783 9491 1 17 . 1 1 80 80 ALA HA H 402 4.143 4.143 3.979 0.164 17783 9492 1 17 . 1 1 80 80 ALA C C 402 180.118 180.118 179.517 0.601 17783 9493 1 17 . 1 1 80 80 ALA CA C 402 53.772 53.772 55.100 -1.328 17783 9494 1 17 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.905 0.564 17783 9495 1 17 . 1 1 80 80 ALA H H 402 7.334 7.334 7.633 -0.299 17783 9496 1 17 . 1 1 81 81 VAL N N 403 120.431 120.431 117.826 2.605 17783 9497 1 17 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.644 -0.282 17783 9498 1 17 . 1 1 81 81 VAL C C 403 177.205 177.205 177.880 -0.675 17783 9499 1 17 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.767 0.961 17783 9500 1 17 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.573 0.160 17783 9501 1 17 . 1 1 81 81 VAL H H 403 7.480 7.480 7.722 -0.242 17783 9502 1 17 . 1 1 82 82 SER N N 404 110.126 110.126 110.521 -0.395 17783 9503 1 17 . 1 1 82 82 SER HA H 404 4.143 4.143 4.238 -0.095 17783 9504 1 17 . 1 1 82 82 SER C C 404 174.813 174.813 175.334 -0.521 17783 9505 1 17 . 1 1 82 82 SER CA C 404 60.751 60.751 60.022 0.729 17783 9506 1 17 . 1 1 82 82 SER CB C 404 63.287 63.287 62.970 0.317 17783 9507 1 17 . 1 1 82 82 SER H H 404 7.326 7.326 8.325 -0.999 17783 9508 1 17 . 1 1 83 83 THR N N 405 110.438 110.438 115.929 -5.491 17783 9509 1 17 . 1 1 83 83 THR HA H 405 4.461 4.461 4.332 0.129 17783 9510 1 17 . 1 1 83 83 THR C C 405 175.081 175.081 175.011 0.070 17783 9511 1 17 . 1 1 83 83 THR CA C 405 61.761 61.761 63.136 -1.375 17783 9512 1 17 . 1 1 83 83 THR CB C 405 69.795 69.795 69.891 -0.096 17783 9513 1 17 . 1 1 83 83 THR H H 405 7.634 7.634 7.912 -0.278 17783 9514 1 17 . 1 1 84 84 LEU N N 406 123.244 123.244 123.432 -0.188 17783 9515 1 17 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.225 0.415 17783 9516 1 17 . 1 1 84 84 LEU C C 406 174.599 174.599 175.609 -1.010 17783 9517 1 17 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.506 -1.211 17783 9518 1 17 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.075 -0.366 17783 9519 1 17 . 1 1 84 84 LEU H H 406 7.478 7.478 7.485 -0.007 17783 9520 1 17 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.504 -0.011 17783 9521 1 17 . 1 1 85 85 PRO C C 407 177.743 177.743 177.291 0.452 17783 9522 1 17 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.312 0.832 17783 9523 1 17 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.465 0.456 17783 9524 1 17 . 1 1 86 86 ALA N N 408 128.809 128.809 122.682 6.127 17783 9525 1 17 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.060 -0.114 17783 9526 1 17 . 1 1 86 86 ALA C C 408 180.517 180.517 179.339 1.178 17783 9527 1 17 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.675 0.830 17783 9528 1 17 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.081 0.264 17783 9529 1 17 . 1 1 86 86 ALA H H 408 9.168 9.168 8.614 0.554 17783 9530 1 17 . 1 1 87 87 ASP N N 409 116.520 116.520 118.402 -1.882 17783 9531 1 17 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.427 0.035 17783 9532 1 17 . 1 1 87 87 ASP C C 409 178.081 178.081 177.373 0.708 17783 9533 1 17 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.060 -0.125 17783 9534 1 17 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.007 0.352 17783 9535 1 17 . 1 1 87 87 ASP H H 409 9.359 9.359 8.599 0.760 17783 9536 1 17 . 1 1 88 88 VAL N N 410 117.452 117.452 116.083 1.369 17783 9537 1 17 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.118 -0.029 17783 9538 1 17 . 1 1 88 88 VAL C C 410 178.675 178.675 178.229 0.446 17783 9539 1 17 . 1 1 88 88 VAL CA C 410 64.875 64.875 64.958 -0.083 17783 9540 1 17 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.124 -0.839 17783 9541 1 17 . 1 1 88 88 VAL H H 410 7.355 7.355 7.793 -0.438 17783 9542 1 17 . 1 1 89 89 GLN N N 411 119.387 119.387 121.330 -1.943 17783 9543 1 17 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.956 -0.312 17783 9544 1 17 . 1 1 89 89 GLN C C 411 179.168 179.168 178.204 0.964 17783 9545 1 17 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.815 1.897 17783 9546 1 17 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.191 0.320 17783 9547 1 17 . 1 1 89 89 GLN H H 411 8.271 8.271 8.719 -0.448 17783 9548 1 17 . 1 1 90 90 ALA N N 412 118.634 118.634 121.069 -2.435 17783 9549 1 17 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.146 0.119 17783 9550 1 17 . 1 1 90 90 ALA C C 412 177.949 177.949 178.668 -0.719 17783 9551 1 17 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.213 -0.272 17783 9552 1 17 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.241 0.086 17783 9553 1 17 . 1 1 90 90 ALA H H 412 7.794 7.794 8.856 -1.062 17783 9554 1 17 . 1 1 91 91 LYS N N 413 115.842 115.842 117.956 -2.114 17783 9555 1 17 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.227 0.105 17783 9556 1 17 . 1 1 91 91 LYS C C 413 175.829 175.829 175.935 -0.106 17783 9557 1 17 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.514 -0.144 17783 9558 1 17 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.668 -1.184 17783 9559 1 17 . 1 1 91 91 LYS H H 413 7.398 7.398 7.783 -0.385 17783 9560 1 17 . 1 1 92 92 ASN N N 414 113.776 113.776 117.438 -3.662 17783 9561 1 17 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.561 -0.025 17783 9562 1 17 . 1 1 92 92 ASN C C 414 171.075 171.075 173.610 -2.535 17783 9563 1 17 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.443 0.620 17783 9564 1 17 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.853 0.228 17783 9565 1 17 . 1 1 92 92 ASN H H 414 8.178 8.178 8.305 -0.127 17783 9566 1 17 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.445 0.557 17783 9567 1 17 . 1 1 93 93 PRO C C 415 175.682 175.682 175.982 -0.300 17783 9568 1 17 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.753 -0.263 17783 9569 1 17 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.250 1.335 17783 9570 1 17 . 1 1 94 94 TRP N N 416 117.925 117.925 120.562 -2.637 17783 9571 1 17 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.903 0.114 17783 9572 1 17 . 1 1 94 94 TRP C C 416 173.607 173.607 174.588 -0.981 17783 9573 1 17 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.306 -0.311 17783 9574 1 17 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.895 1.612 17783 9575 1 17 . 1 1 94 94 TRP H H 416 7.921 7.921 8.107 -0.186 17783 9576 1 17 . 1 1 95 95 ALA N N 417 123.924 123.924 126.330 -2.406 17783 9577 1 17 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.124 0.631 17783 9578 1 17 . 1 1 95 95 ALA C C 417 174.171 174.171 176.774 -2.603 17783 9579 1 17 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.502 -0.865 17783 9580 1 17 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.726 0.742 17783 9581 1 17 . 1 1 95 95 ALA H H 417 8.878 8.878 8.411 0.467 17783 9582 1 17 . 1 1 96 96 LYS N N 418 129.441 129.441 126.660 2.781 17783 9583 1 17 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.416 0.605 17783 9584 1 17 . 1 1 96 96 LYS C C 418 173.451 173.451 173.849 -0.398 17783 9585 1 17 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.340 0.224 17783 9586 1 17 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.602 4.381 17783 9587 1 17 . 1 1 96 96 LYS H H 418 9.235 9.235 8.148 1.087 17783 9588 1 17 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.210 -0.446 17783 9589 1 17 . 1 1 97 97 PRO C C 419 178.893 178.893 177.922 0.971 17783 9590 1 17 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.149 -0.254 17783 9591 1 17 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.191 0.529 17783 9592 1 17 . 1 1 98 98 LEU N N 420 126.746 126.746 119.445 7.301 17783 9593 1 17 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.226 -0.423 17783 9594 1 17 . 1 1 98 98 LEU C C 420 179.040 179.040 178.444 0.596 17783 9595 1 17 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.979 0.389 17783 9596 1 17 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.371 -1.430 17783 9597 1 17 . 1 1 98 98 LEU H H 420 9.179 9.179 8.556 0.623 17783 9598 1 17 . 1 1 99 99 ARG N N 421 118.262 118.262 117.831 0.431 17783 9599 1 17 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.914 0.145 17783 9600 1 17 . 1 1 99 99 ARG C C 421 178.140 178.140 177.781 0.359 17783 9601 1 17 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.799 0.294 17783 9602 1 17 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.575 0.381 17783 9603 1 17 . 1 1 99 99 ARG H H 421 8.014 8.014 8.264 -0.250 17783 9604 1 17 . 1 1 100 100 GLN N N 422 116.539 116.539 117.610 -1.071 17783 9605 1 17 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.198 0.012 17783 9606 1 17 . 1 1 100 100 GLN C C 422 177.594 177.594 178.121 -0.527 17783 9607 1 17 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.303 -0.570 17783 9608 1 17 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.352 -0.174 17783 9609 1 17 . 1 1 100 100 GLN H H 422 7.258 7.258 7.571 -0.313 17783 9610 1 17 . 1 1 101 101 VAL N N 423 119.665 119.665 119.924 -0.259 17783 9611 1 17 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.798 -0.250 17783 9612 1 17 . 1 1 101 101 VAL C C 423 177.040 177.040 178.282 -1.242 17783 9613 1 17 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.394 0.053 17783 9614 1 17 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.360 2.192 17783 9615 1 17 . 1 1 101 101 VAL H H 423 7.090 7.090 8.099 -1.009 17783 9616 1 17 . 1 1 102 102 GLN N N 424 115.032 115.032 116.251 -1.219 17783 9617 1 17 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.945 -0.380 17783 9618 1 17 . 1 1 102 102 GLN C C 424 177.994 177.994 176.659 1.335 17783 9619 1 17 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.616 1.267 17783 9620 1 17 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.670 -0.610 17783 9621 1 17 . 1 1 102 102 GLN H H 424 8.553 8.553 7.550 1.003 17783 9622 1 17 . 1 1 103 103 ALA N N 425 120.742 120.742 122.037 -1.295 17783 9623 1 17 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.019 0.139 17783 9624 1 17 . 1 1 103 103 ALA C C 425 178.545 178.545 178.753 -0.208 17783 9625 1 17 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.686 -0.411 17783 9626 1 17 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.879 -0.557 17783 9627 1 17 . 1 1 103 103 ALA H H 425 7.366 7.366 8.082 -0.716 17783 9628 1 17 . 1 1 104 104 ASP N N 426 117.066 117.066 118.219 -1.153 17783 9629 1 17 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.398 0.310 17783 9630 1 17 . 1 1 104 104 ASP C C 426 176.876 176.876 176.896 -0.020 17783 9631 1 17 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.373 -0.150 17783 9632 1 17 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.513 1.987 17783 9633 1 17 . 1 1 104 104 ASP H H 426 7.628 7.628 8.037 -0.409 17783 9634 1 17 . 1 1 105 105 LEU N N 427 119.853 119.853 122.064 -2.211 17783 9635 1 17 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.271 0.028 17783 9636 1 17 . 1 1 105 105 LEU C C 427 176.118 176.118 176.211 -0.093 17783 9637 1 17 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.022 -0.036 17783 9638 1 17 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.510 -0.432 17783 9639 1 17 . 1 1 105 105 LEU H H 427 7.242 7.242 7.366 -0.124 17783 9640 1 18 . 1 1 2 2 ARG N N 324 121.883 121.883 120.961 0.922 17783 9641 1 18 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.193 0.151 17783 9642 1 18 . 1 1 2 2 ARG C C 324 176.887 176.887 176.140 0.747 17783 9643 1 18 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.281 0.224 17783 9644 1 18 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.601 0.133 17783 9645 1 18 . 1 1 2 2 ARG H H 324 8.373 8.373 8.231 0.142 17783 9646 1 18 . 1 1 3 3 GLY N N 325 111.231 111.231 109.751 1.480 17783 9647 1 18 . 1 1 3 3 GLY C C 325 174.037 174.037 174.265 -0.228 17783 9648 1 18 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.913 0.315 17783 9649 1 18 . 1 1 3 3 GLY H H 325 8.683 8.683 8.592 0.091 17783 9650 1 18 . 1 1 4 4 SER N N 326 115.541 115.541 114.737 0.804 17783 9651 1 18 . 1 1 4 4 SER HA H 326 4.377 4.377 4.304 0.073 17783 9652 1 18 . 1 1 4 4 SER C C 326 174.454 174.454 173.745 0.709 17783 9653 1 18 . 1 1 4 4 SER CA C 326 58.315 58.315 59.064 -0.749 17783 9654 1 18 . 1 1 4 4 SER CB C 326 63.902 63.902 64.035 -0.133 17783 9655 1 18 . 1 1 4 4 SER H H 326 8.237 8.237 7.816 0.421 17783 9656 1 18 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.298 0.282 17783 9657 1 18 . 1 1 10 10 HIS C C 332 175.292 175.292 175.582 -0.290 17783 9658 1 18 . 1 1 10 10 HIS CA C 332 55.946 55.946 56.162 -0.216 17783 9659 1 18 . 1 1 10 10 HIS CB C 332 30.123 30.123 28.716 1.407 17783 9660 1 18 . 1 1 11 11 GLY N N 333 110.527 110.527 112.860 -2.333 17783 9661 1 18 . 1 1 11 11 GLY C C 333 174.126 174.126 174.186 -0.060 17783 9662 1 18 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.759 0.568 17783 9663 1 18 . 1 1 11 11 GLY H H 333 8.540 8.540 8.318 0.222 17783 9664 1 18 . 1 1 12 12 SER N N 334 115.752 115.752 114.437 1.315 17783 9665 1 18 . 1 1 12 12 SER HA H 334 4.436 4.436 3.572 0.864 17783 9666 1 18 . 1 1 12 12 SER C C 334 174.538 174.538 173.798 0.740 17783 9667 1 18 . 1 1 12 12 SER CA C 334 58.486 58.486 60.270 -1.784 17783 9668 1 18 . 1 1 12 12 SER CB C 334 63.927 63.927 61.301 2.626 17783 9669 1 18 . 1 1 12 12 SER H H 334 8.356 8.356 6.968 1.388 17783 9670 1 18 . 1 1 13 13 ASN N N 335 120.410 120.410 121.587 -1.177 17783 9671 1 18 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.644 0.085 17783 9672 1 18 . 1 1 13 13 ASN C C 335 175.116 175.116 174.012 1.104 17783 9673 1 18 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.600 -0.214 17783 9674 1 18 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.526 -0.859 17783 9675 1 18 . 1 1 13 13 ASN H H 335 8.575 8.575 8.111 0.464 17783 9676 1 18 . 1 1 14 14 ASN N N 336 119.094 119.094 117.285 1.809 17783 9677 1 18 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.810 -0.081 17783 9678 1 18 . 1 1 14 14 ASN C C 336 175.395 175.395 173.252 2.143 17783 9679 1 18 . 1 1 14 14 ASN CA C 336 53.385 53.385 52.857 0.528 17783 9680 1 18 . 1 1 14 14 ASN CB C 336 38.669 38.669 39.896 -1.227 17783 9681 1 18 . 1 1 14 14 ASN H H 336 8.447 8.447 8.385 0.062 17783 9682 1 18 . 1 1 15 15 ASN N N 337 118.915 118.915 119.568 -0.653 17783 9683 1 18 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.885 -0.351 17783 9684 1 18 . 1 1 15 15 ASN C C 337 176.390 176.390 173.773 2.617 17783 9685 1 18 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.280 0.711 17783 9686 1 18 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.566 -0.945 17783 9687 1 18 . 1 1 15 15 ASN H H 337 8.446 8.446 8.680 -0.234 17783 9688 1 18 . 1 1 16 16 GLY N N 338 108.851 108.851 109.408 -0.557 17783 9689 1 18 . 1 1 16 16 GLY C C 338 175.459 175.459 175.195 0.264 17783 9690 1 18 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.704 1.048 17783 9691 1 18 . 1 1 16 16 GLY H H 338 8.454 8.454 8.112 0.342 17783 9692 1 18 . 1 1 17 17 SER N N 339 116.218 116.218 115.642 0.576 17783 9693 1 18 . 1 1 17 17 SER HA H 339 4.229 4.229 4.520 -0.291 17783 9694 1 18 . 1 1 17 17 SER C C 339 175.869 175.869 175.387 0.482 17783 9695 1 18 . 1 1 17 17 SER CA C 339 59.759 59.759 59.334 0.425 17783 9696 1 18 . 1 1 17 17 SER CB C 339 62.973 62.973 62.694 0.279 17783 9697 1 18 . 1 1 17 17 SER H H 339 8.170 8.170 8.151 0.019 17783 9698 1 18 . 1 1 18 18 LEU N N 340 121.515 121.515 120.916 0.599 17783 9699 1 18 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.252 -0.250 17783 9700 1 18 . 1 1 18 18 LEU C C 340 178.399 178.399 178.244 0.155 17783 9701 1 18 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.812 0.339 17783 9702 1 18 . 1 1 18 18 LEU CB C 340 42.076 42.076 42.016 0.060 17783 9703 1 18 . 1 1 18 18 LEU H H 340 7.790 7.790 7.719 0.071 17783 9704 1 18 . 1 1 19 19 LYS N N 341 117.145 117.145 115.790 1.355 17783 9705 1 18 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.077 -0.269 17783 9706 1 18 . 1 1 19 19 LYS C C 341 176.960 176.960 177.315 -0.355 17783 9707 1 18 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.061 1.131 17783 9708 1 18 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.004 0.789 17783 9709 1 18 . 1 1 19 19 LYS H H 341 7.893 7.893 7.893 0.000 17783 9710 1 18 . 1 1 20 20 SER N N 342 110.377 110.377 113.397 -3.020 17783 9711 1 18 . 1 1 20 20 SER HA H 342 4.369 4.369 4.376 -0.007 17783 9712 1 18 . 1 1 20 20 SER C C 342 173.735 173.735 174.291 -0.556 17783 9713 1 18 . 1 1 20 20 SER CA C 342 58.141 58.141 57.919 0.222 17783 9714 1 18 . 1 1 20 20 SER CB C 342 63.900 63.900 63.260 0.640 17783 9715 1 18 . 1 1 20 20 SER H H 342 7.546 7.546 7.750 -0.204 17783 9716 1 18 . 1 1 21 21 ALA N N 343 125.662 125.662 124.694 0.968 17783 9717 1 18 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.539 -0.177 17783 9718 1 18 . 1 1 21 21 ALA C C 343 174.051 174.051 175.523 -1.472 17783 9719 1 18 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.594 0.978 17783 9720 1 18 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.832 -0.698 17783 9721 1 18 . 1 1 21 21 ALA H H 343 6.852 6.852 7.324 -0.472 17783 9722 1 18 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.397 -0.159 17783 9723 1 18 . 1 1 22 22 PRO C C 344 178.184 178.184 176.446 1.738 17783 9724 1 18 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.577 0.505 17783 9725 1 18 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.952 0.652 17783 9726 1 18 . 1 1 23 23 SER N N 345 118.662 118.662 120.812 -2.150 17783 9727 1 18 . 1 1 23 23 SER HA H 345 3.825 3.825 4.138 -0.313 17783 9728 1 18 . 1 1 23 23 SER C C 345 174.231 174.231 175.716 -1.485 17783 9729 1 18 . 1 1 23 23 SER CA C 345 60.892 60.892 59.006 1.886 17783 9730 1 18 . 1 1 23 23 SER CB C 345 63.223 63.223 62.911 0.312 17783 9731 1 18 . 1 1 23 23 SER H H 345 8.566 8.566 8.140 0.426 17783 9732 1 18 . 1 1 24 24 SER N N 346 111.938 111.938 115.782 -3.844 17783 9733 1 18 . 1 1 24 24 SER HA H 346 4.383 4.383 4.198 0.185 17783 9734 1 18 . 1 1 24 24 SER C C 346 175.152 175.152 174.636 0.516 17783 9735 1 18 . 1 1 24 24 SER CA C 346 58.247 58.247 60.277 -2.030 17783 9736 1 18 . 1 1 24 24 SER CB C 346 63.958 63.958 62.815 1.143 17783 9737 1 18 . 1 1 24 24 SER H H 346 7.675 7.675 7.905 -0.230 17783 9738 1 18 . 1 1 25 25 HIS N N 347 122.882 122.882 120.834 2.048 17783 9739 1 18 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.634 0.216 17783 9740 1 18 . 1 1 25 25 HIS C C 347 173.574 173.574 174.007 -0.433 17783 9741 1 18 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.777 0.298 17783 9742 1 18 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.563 1.285 17783 9743 1 18 . 1 1 25 25 HIS H H 347 7.628 7.628 7.076 0.552 17783 9744 1 18 . 1 1 26 26 TYR N N 348 117.921 117.921 121.404 -3.483 17783 9745 1 18 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.787 0.202 17783 9746 1 18 . 1 1 26 26 TYR C C 348 174.086 174.086 174.263 -0.177 17783 9747 1 18 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.669 0.518 17783 9748 1 18 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.774 2.060 17783 9749 1 18 . 1 1 26 26 TYR H H 348 9.606 9.606 8.610 0.996 17783 9750 1 18 . 1 1 27 27 THR N N 349 115.914 115.914 118.041 -2.127 17783 9751 1 18 . 1 1 27 27 THR HA H 349 5.027 5.027 4.780 0.247 17783 9752 1 18 . 1 1 27 27 THR C C 349 172.904 172.904 173.693 -0.789 17783 9753 1 18 . 1 1 27 27 THR CA C 349 58.835 58.835 60.505 -1.670 17783 9754 1 18 . 1 1 27 27 THR CB C 349 70.587 70.587 69.443 1.144 17783 9755 1 18 . 1 1 27 27 THR H H 349 8.974 8.974 8.698 0.276 17783 9756 1 18 . 1 1 28 28 LEU N N 350 123.392 123.392 126.958 -3.566 17783 9757 1 18 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.267 0.722 17783 9758 1 18 . 1 1 28 28 LEU C C 350 176.111 176.111 176.427 -0.316 17783 9759 1 18 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.617 -2.519 17783 9760 1 18 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.642 2.228 17783 9761 1 18 . 1 1 28 28 LEU H H 350 8.249 8.249 8.660 -0.411 17783 9762 1 18 . 1 1 29 29 GLN N N 351 122.797 122.797 113.467 9.330 17783 9763 1 18 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.816 -0.263 17783 9764 1 18 . 1 1 29 29 GLN C C 351 175.435 175.435 175.159 0.276 17783 9765 1 18 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.923 1.020 17783 9766 1 18 . 1 1 29 29 GLN CB C 351 27.231 27.231 31.224 -3.993 17783 9767 1 18 . 1 1 29 29 GLN H H 351 8.915 8.915 8.099 0.816 17783 9768 1 18 . 1 1 30 30 LEU N N 352 125.239 125.239 116.662 8.577 17783 9769 1 18 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.984 -0.617 17783 9770 1 18 . 1 1 30 30 LEU C C 352 177.250 177.250 176.371 0.879 17783 9771 1 18 . 1 1 30 30 LEU CA C 352 56.101 56.101 54.468 1.633 17783 9772 1 18 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.563 0.537 17783 9773 1 18 . 1 1 30 30 LEU H H 352 8.920 8.920 8.619 0.301 17783 9774 1 18 . 1 1 31 31 SER N N 353 106.816 106.816 116.242 -9.426 17783 9775 1 18 . 1 1 31 31 SER HA H 353 4.493 4.493 4.818 -0.325 17783 9776 1 18 . 1 1 31 31 SER C C 353 171.831 171.831 173.308 -1.477 17783 9777 1 18 . 1 1 31 31 SER CA C 353 57.160 57.160 58.154 -0.994 17783 9778 1 18 . 1 1 31 31 SER CB C 353 64.360 64.360 64.665 -0.305 17783 9779 1 18 . 1 1 31 31 SER H H 353 7.548 7.548 8.397 -0.849 17783 9780 1 18 . 1 1 32 32 SER N N 354 113.518 113.518 121.790 -8.272 17783 9781 1 18 . 1 1 32 32 SER HA H 354 5.026 5.026 4.413 0.613 17783 9782 1 18 . 1 1 32 32 SER C C 354 172.512 172.512 171.890 0.622 17783 9783 1 18 . 1 1 32 32 SER CA C 354 57.285 57.285 57.311 -0.026 17783 9784 1 18 . 1 1 32 32 SER CB C 354 65.347 65.347 66.352 -1.005 17783 9785 1 18 . 1 1 32 32 SER H H 354 8.127 8.127 8.471 -0.344 17783 9786 1 18 . 1 1 33 33 SER N N 355 114.624 114.624 115.921 -1.297 17783 9787 1 18 . 1 1 33 33 SER HA H 355 4.106 4.106 4.026 0.080 17783 9788 1 18 . 1 1 33 33 SER C C 355 171.639 171.639 171.661 -0.022 17783 9789 1 18 . 1 1 33 33 SER CA C 355 57.276 57.276 57.602 -0.326 17783 9790 1 18 . 1 1 33 33 SER CB C 355 64.539 64.539 64.417 0.122 17783 9791 1 18 . 1 1 33 33 SER H H 355 8.616 8.616 6.727 1.889 17783 9792 1 18 . 1 1 34 34 SER N N 356 116.467 116.467 115.581 0.886 17783 9793 1 18 . 1 1 34 34 SER HA H 356 4.241 4.241 4.988 -0.747 17783 9794 1 18 . 1 1 34 34 SER C C 356 173.820 173.820 172.770 1.050 17783 9795 1 18 . 1 1 34 34 SER CA C 356 59.074 59.074 57.659 1.415 17783 9796 1 18 . 1 1 34 34 SER CB C 356 63.741 63.741 63.573 0.168 17783 9797 1 18 . 1 1 34 34 SER H H 356 8.132 8.132 8.366 -0.234 17783 9798 1 18 . 1 1 35 35 ASN N N 357 122.206 122.206 118.561 3.645 17783 9799 1 18 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.030 -0.109 17783 9800 1 18 . 1 1 35 35 ASN C C 357 172.965 172.965 173.994 -1.029 17783 9801 1 18 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.375 -0.928 17783 9802 1 18 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.792 0.133 17783 9803 1 18 . 1 1 35 35 ASN H H 357 8.511 8.511 8.338 0.173 17783 9804 1 18 . 1 1 36 36 TYR N N 358 127.519 127.519 126.092 1.427 17783 9805 1 18 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.168 -1.196 17783 9806 1 18 . 1 1 36 36 TYR C C 358 176.522 176.522 176.039 0.483 17783 9807 1 18 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.514 0.455 17783 9808 1 18 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.448 -0.737 17783 9809 1 18 . 1 1 36 36 TYR H H 358 8.002 8.002 8.724 -0.722 17783 9810 1 18 . 1 1 37 37 ASP N N 359 118.658 118.658 117.937 0.721 17783 9811 1 18 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.459 -0.315 17783 9812 1 18 . 1 1 37 37 ASP C C 359 179.804 179.804 178.147 1.657 17783 9813 1 18 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.886 -0.383 17783 9814 1 18 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.141 0.037 17783 9815 1 18 . 1 1 37 37 ASP H H 359 8.033 8.033 9.050 -1.017 17783 9816 1 18 . 1 1 38 38 ASN N N 360 119.802 119.802 116.465 3.337 17783 9817 1 18 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.734 -0.431 17783 9818 1 18 . 1 1 38 38 ASN C C 360 177.720 177.720 176.741 0.979 17783 9819 1 18 . 1 1 38 38 ASN CA C 360 55.450 55.450 54.593 0.857 17783 9820 1 18 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.206 -0.443 17783 9821 1 18 . 1 1 38 38 ASN H H 360 8.380 8.380 8.375 0.005 17783 9822 1 18 . 1 1 39 39 LEU N N 361 121.625 121.625 122.526 -0.901 17783 9823 1 18 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.216 -0.119 17783 9824 1 18 . 1 1 39 39 LEU C C 361 177.738 177.738 177.684 0.054 17783 9825 1 18 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.796 -1.231 17783 9826 1 18 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.921 0.807 17783 9827 1 18 . 1 1 39 39 LEU H H 361 7.243 7.243 8.321 -1.078 17783 9828 1 18 . 1 1 40 40 ASN N N 362 116.601 116.601 116.530 0.071 17783 9829 1 18 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.326 -0.181 17783 9830 1 18 . 1 1 40 40 ASN C C 362 177.253 177.253 178.118 -0.865 17783 9831 1 18 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.127 0.400 17783 9832 1 18 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.454 1.872 17783 9833 1 18 . 1 1 40 40 ASN H H 362 8.284 8.284 7.783 0.501 17783 9834 1 18 . 1 1 41 41 GLY N N 363 104.958 104.958 107.117 -2.159 17783 9835 1 18 . 1 1 41 41 GLY C C 363 176.323 176.323 174.593 1.730 17783 9836 1 18 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.418 0.421 17783 9837 1 18 . 1 1 41 41 GLY H H 363 8.334 8.334 7.944 0.390 17783 9838 1 18 . 1 1 42 42 TRP N N 364 125.066 125.066 122.569 2.497 17783 9839 1 18 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.571 -0.345 17783 9840 1 18 . 1 1 42 42 TRP C C 364 176.509 176.509 176.703 -0.194 17783 9841 1 18 . 1 1 42 42 TRP CA C 364 61.489 61.489 59.317 2.172 17783 9842 1 18 . 1 1 42 42 TRP CB C 364 27.876 27.876 30.644 -2.768 17783 9843 1 18 . 1 1 42 42 TRP H H 364 7.833 7.833 7.639 0.194 17783 9844 1 18 . 1 1 43 43 ALA N N 365 120.030 120.030 122.465 -2.435 17783 9845 1 18 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.348 -0.354 17783 9846 1 18 . 1 1 43 43 ALA C C 365 179.186 179.186 179.192 -0.006 17783 9847 1 18 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.333 -0.332 17783 9848 1 18 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.957 -0.869 17783 9849 1 18 . 1 1 43 43 ALA H H 365 7.701 7.701 9.080 -1.379 17783 9850 1 18 . 1 1 44 44 LYS N N 366 115.064 115.064 116.171 -1.107 17783 9851 1 18 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.913 0.120 17783 9852 1 18 . 1 1 44 44 LYS C C 366 180.830 180.830 178.909 1.921 17783 9853 1 18 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.760 0.231 17783 9854 1 18 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.276 0.074 17783 9855 1 18 . 1 1 44 44 LYS H H 366 7.562 7.562 7.668 -0.106 17783 9856 1 18 . 1 1 45 45 LYS N N 367 123.180 123.180 120.337 2.843 17783 9857 1 18 . 1 1 45 45 LYS HA H 367 3.907 3.907 3.983 -0.076 17783 9858 1 18 . 1 1 45 45 LYS C C 367 178.319 178.319 178.448 -0.129 17783 9859 1 18 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.798 0.246 17783 9860 1 18 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.274 -0.208 17783 9861 1 18 . 1 1 45 45 LYS H H 367 8.067 8.067 7.723 0.344 17783 9862 1 18 . 1 1 46 46 GLU N N 368 114.882 114.882 115.279 -0.397 17783 9863 1 18 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.065 -0.148 17783 9864 1 18 . 1 1 46 46 GLU C C 368 174.639 174.639 175.286 -0.647 17783 9865 1 18 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.396 -1.380 17783 9866 1 18 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.198 -1.521 17783 9867 1 18 . 1 1 46 46 GLU H H 368 7.488 7.488 7.479 0.009 17783 9868 1 18 . 1 1 47 47 ASN N N 369 114.944 114.944 113.882 1.062 17783 9869 1 18 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.275 -0.003 17783 9870 1 18 . 1 1 47 47 ASN C C 369 174.759 174.759 174.331 0.428 17783 9871 1 18 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.318 0.386 17783 9872 1 18 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.354 0.705 17783 9873 1 18 . 1 1 47 47 ASN H H 369 7.772 7.772 7.159 0.613 17783 9874 1 18 . 1 1 48 48 LEU N N 370 116.008 116.008 118.879 -2.871 17783 9875 1 18 . 1 1 48 48 LEU HA H 370 4.120 4.120 4.041 0.079 17783 9876 1 18 . 1 1 48 48 LEU C C 370 177.056 177.056 176.825 0.231 17783 9877 1 18 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.457 -0.339 17783 9878 1 18 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.887 1.030 17783 9879 1 18 . 1 1 48 48 LEU H H 370 7.463 7.463 7.322 0.141 17783 9880 1 18 . 1 1 49 49 LYS N N 371 120.012 120.012 124.054 -4.042 17783 9881 1 18 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.485 0.075 17783 9882 1 18 . 1 1 49 49 LYS C C 371 176.481 176.481 176.488 -0.007 17783 9883 1 18 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.797 -0.468 17783 9884 1 18 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.535 1.020 17783 9885 1 18 . 1 1 49 49 LYS H H 371 8.518 8.518 8.193 0.325 17783 9886 1 18 . 1 1 50 50 ASN N N 372 117.610 117.610 118.394 -0.784 17783 9887 1 18 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.411 0.103 17783 9888 1 18 . 1 1 50 50 ASN C C 372 173.445 173.445 173.341 0.104 17783 9889 1 18 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.108 -0.671 17783 9890 1 18 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.308 -0.376 17783 9891 1 18 . 1 1 50 50 ASN H H 372 8.734 8.734 8.843 -0.109 17783 9892 1 18 . 1 1 51 51 TYR N N 373 117.151 117.151 116.349 0.802 17783 9893 1 18 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.526 -0.131 17783 9894 1 18 . 1 1 51 51 TYR C C 373 173.549 173.549 173.916 -0.367 17783 9895 1 18 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.626 0.156 17783 9896 1 18 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.676 -0.265 17783 9897 1 18 . 1 1 51 51 TYR H H 373 7.570 7.570 7.420 0.150 17783 9898 1 18 . 1 1 52 52 VAL N N 374 120.887 120.887 119.101 1.786 17783 9899 1 18 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.418 -0.120 17783 9900 1 18 . 1 1 52 52 VAL C C 374 174.289 174.289 175.369 -1.080 17783 9901 1 18 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.348 0.366 17783 9902 1 18 . 1 1 52 52 VAL CB C 374 36.584 36.584 33.616 2.968 17783 9903 1 18 . 1 1 52 52 VAL H H 374 9.140 9.140 8.723 0.417 17783 9904 1 18 . 1 1 53 53 VAL N N 375 126.060 126.060 126.356 -0.296 17783 9905 1 18 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.289 1.126 17783 9906 1 18 . 1 1 53 53 VAL C C 375 175.803 175.803 176.295 -0.492 17783 9907 1 18 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.700 -2.044 17783 9908 1 18 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.041 1.695 17783 9909 1 18 . 1 1 53 53 VAL H H 375 8.600 8.600 8.460 0.140 17783 9910 1 18 . 1 1 54 54 TYR N N 376 125.706 125.706 126.236 -0.530 17783 9911 1 18 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.114 0.308 17783 9912 1 18 . 1 1 54 54 TYR C C 376 172.139 172.139 173.290 -1.151 17783 9913 1 18 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.765 -0.636 17783 9914 1 18 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.309 1.348 17783 9915 1 18 . 1 1 54 54 TYR H H 376 9.292 9.292 8.503 0.789 17783 9916 1 18 . 1 1 55 55 GLU N N 377 122.063 122.063 119.536 2.527 17783 9917 1 18 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.576 1.138 17783 9918 1 18 . 1 1 55 55 GLU C C 377 175.011 175.011 175.308 -0.297 17783 9919 1 18 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.399 -0.256 17783 9920 1 18 . 1 1 55 55 GLU CB C 377 32.659 32.659 31.187 1.472 17783 9921 1 18 . 1 1 55 55 GLU H H 377 8.758 8.758 8.460 0.298 17783 9922 1 18 . 1 1 56 56 THR N N 378 122.855 122.855 114.512 8.343 17783 9923 1 18 . 1 1 56 56 THR HA H 378 4.848 4.848 4.535 0.313 17783 9924 1 18 . 1 1 56 56 THR C C 378 173.550 173.550 172.547 1.003 17783 9925 1 18 . 1 1 56 56 THR CA C 378 58.732 58.732 60.801 -2.069 17783 9926 1 18 . 1 1 56 56 THR CB C 378 70.181 70.181 69.899 0.282 17783 9927 1 18 . 1 1 56 56 THR H H 378 9.160 9.160 7.557 1.603 17783 9928 1 18 . 1 1 57 57 THR N N 379 116.629 116.629 112.971 3.658 17783 9929 1 18 . 1 1 57 57 THR HA H 379 5.145 5.145 4.643 0.502 17783 9930 1 18 . 1 1 57 57 THR C C 379 173.973 173.973 173.411 0.562 17783 9931 1 18 . 1 1 57 57 THR CA C 379 60.517 60.517 60.443 0.074 17783 9932 1 18 . 1 1 57 57 THR CB C 379 71.582 71.582 70.470 1.112 17783 9933 1 18 . 1 1 57 57 THR H H 379 8.677 8.677 8.400 0.277 17783 9934 1 18 . 1 1 58 58 ARG N N 380 124.546 124.546 125.932 -1.386 17783 9935 1 18 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.541 -0.233 17783 9936 1 18 . 1 1 58 58 ARG C C 380 176.074 176.074 174.468 1.606 17783 9937 1 18 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.695 -1.185 17783 9938 1 18 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.689 0.783 17783 9939 1 18 . 1 1 58 58 ARG H H 380 9.117 9.117 8.510 0.607 17783 9940 1 18 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.534 -0.228 17783 9941 1 18 . 1 1 59 59 ASN C C 381 175.444 175.444 175.953 -0.509 17783 9942 1 18 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.518 0.719 17783 9943 1 18 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.557 -0.344 17783 9944 1 18 . 1 1 60 60 GLY N N 382 103.015 103.015 104.621 -1.606 17783 9945 1 18 . 1 1 60 60 GLY C C 382 173.488 173.488 173.453 0.035 17783 9946 1 18 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.283 0.190 17783 9947 1 18 . 1 1 60 60 GLY H H 382 8.639 8.639 8.442 0.197 17783 9948 1 18 . 1 1 61 61 GLN N N 383 119.903 119.903 118.523 1.380 17783 9949 1 18 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.535 0.465 17783 9950 1 18 . 1 1 61 61 GLN C C 383 172.730 172.730 173.557 -0.827 17783 9951 1 18 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.745 -0.054 17783 9952 1 18 . 1 1 61 61 GLN CB C 383 30.711 30.711 29.820 0.891 17783 9953 1 18 . 1 1 61 61 GLN H H 383 7.697 7.697 7.887 -0.190 17783 9954 1 18 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.523 0.091 17783 9955 1 18 . 1 1 62 62 PRO C C 384 175.576 175.576 175.483 0.093 17783 9956 1 18 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.931 1.071 17783 9957 1 18 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.034 0.511 17783 9958 1 18 . 1 1 63 63 TRP N N 385 126.621 126.621 123.344 3.277 17783 9959 1 18 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.782 -0.271 17783 9960 1 18 . 1 1 63 63 TRP C C 385 172.096 172.096 173.108 -1.012 17783 9961 1 18 . 1 1 63 63 TRP CA C 385 56.082 56.082 56.415 -0.333 17783 9962 1 18 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.491 1.683 17783 9963 1 18 . 1 1 63 63 TRP H H 385 8.063 8.063 7.757 0.306 17783 9964 1 18 . 1 1 64 64 TYR N N 386 124.129 124.129 122.810 1.319 17783 9965 1 18 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.344 0.874 17783 9966 1 18 . 1 1 64 64 TYR C C 386 173.544 173.544 173.985 -0.441 17783 9967 1 18 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.812 -0.043 17783 9968 1 18 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.107 3.326 17783 9969 1 18 . 1 1 64 64 TYR H H 386 7.954 7.954 7.628 0.326 17783 9970 1 18 . 1 1 65 65 VAL N N 387 121.167 121.167 121.596 -0.429 17783 9971 1 18 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.350 -0.487 17783 9972 1 18 . 1 1 65 65 VAL C C 387 172.675 172.675 174.448 -1.773 17783 9973 1 18 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.402 0.855 17783 9974 1 18 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.954 0.179 17783 9975 1 18 . 1 1 65 65 VAL H H 387 8.409 8.409 7.176 1.233 17783 9976 1 18 . 1 1 66 66 LEU N N 388 127.479 127.479 123.163 4.316 17783 9977 1 18 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.928 0.495 17783 9978 1 18 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.438 0.058 17783 9979 1 18 . 1 1 66 66 LEU CB C 388 44.755 44.755 45.139 -0.384 17783 9980 1 18 . 1 1 66 66 LEU H H 388 8.200 8.200 8.487 -0.287 17783 9981 1 18 . 1 1 67 67 VAL N N 389 120.778 120.778 114.087 6.691 17783 9982 1 18 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.607 1.233 17783 9983 1 18 . 1 1 67 67 VAL C C 389 174.934 174.934 174.587 0.347 17783 9984 1 18 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.386 -2.559 17783 9985 1 18 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.614 -0.921 17783 9986 1 18 . 1 1 67 67 VAL H H 389 9.314 9.314 8.483 0.831 17783 9987 1 18 . 1 1 68 68 SER N N 390 113.588 113.588 121.691 -8.103 17783 9988 1 18 . 1 1 68 68 SER HA H 390 4.850 4.850 5.088 -0.238 17783 9989 1 18 . 1 1 68 68 SER C C 390 174.691 174.691 175.587 -0.896 17783 9990 1 18 . 1 1 68 68 SER CA C 390 58.213 58.213 57.829 0.384 17783 9991 1 18 . 1 1 68 68 SER CB C 390 66.007 66.007 63.502 2.505 17783 9992 1 18 . 1 1 68 68 SER H H 390 8.803 8.803 8.643 0.160 17783 9993 1 18 . 1 1 69 69 GLY N N 391 115.161 115.161 114.772 0.389 17783 9994 1 18 . 1 1 69 69 GLY C C 391 172.208 172.208 173.158 -0.950 17783 9995 1 18 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.361 -1.036 17783 9996 1 18 . 1 1 69 69 GLY H H 391 8.436 8.436 8.309 0.127 17783 9997 1 18 . 1 1 70 70 VAL N N 392 117.033 117.033 121.115 -4.082 17783 9998 1 18 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.078 0.402 17783 9999 1 18 . 1 1 70 70 VAL C C 392 174.635 174.635 174.242 0.393 17783 10000 1 18 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.797 0.406 17783 10001 1 18 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.731 0.506 17783 10002 1 18 . 1 1 70 70 VAL H H 392 7.188 7.188 7.711 -0.523 17783 10003 1 18 . 1 1 71 71 TYR N N 393 124.867 124.867 124.656 0.211 17783 10004 1 18 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.629 0.172 17783 10005 1 18 . 1 1 71 71 TYR C C 393 175.550 175.550 176.086 -0.536 17783 10006 1 18 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.279 -0.994 17783 10007 1 18 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.000 3.543 17783 10008 1 18 . 1 1 71 71 TYR H H 393 9.517 9.517 8.411 1.106 17783 10009 1 18 . 1 1 72 72 ALA N N 394 124.217 124.217 127.013 -2.796 17783 10010 1 18 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.756 -0.985 17783 10011 1 18 . 1 1 72 72 ALA C C 394 175.911 175.911 177.303 -1.392 17783 10012 1 18 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.444 -1.187 17783 10013 1 18 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.622 0.399 17783 10014 1 18 . 1 1 72 72 ALA H H 394 8.984 8.984 8.724 0.260 17783 10015 1 18 . 1 1 73 73 SER N N 395 106.325 106.325 111.138 -4.813 17783 10016 1 18 . 1 1 73 73 SER HA H 395 4.769 4.769 4.642 0.127 17783 10017 1 18 . 1 1 73 73 SER C C 395 173.686 173.686 174.879 -1.193 17783 10018 1 18 . 1 1 73 73 SER CA C 395 56.031 56.031 57.291 -1.260 17783 10019 1 18 . 1 1 73 73 SER CB C 395 66.773 66.773 65.555 1.218 17783 10020 1 18 . 1 1 73 73 SER H H 395 7.251 7.251 7.722 -0.471 17783 10021 1 18 . 1 1 74 74 LYS N N 396 123.531 123.531 120.735 2.796 17783 10022 1 18 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.997 -1.103 17783 10023 1 18 . 1 1 74 74 LYS C C 396 178.040 178.040 176.993 1.047 17783 10024 1 18 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.663 1.880 17783 10025 1 18 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.750 -0.114 17783 10026 1 18 . 1 1 74 74 LYS H H 396 8.742 8.742 8.673 0.069 17783 10027 1 18 . 1 1 75 75 GLU N N 397 118.740 118.740 120.277 -1.537 17783 10028 1 18 . 1 1 75 75 GLU HA H 397 3.814 3.814 4.076 -0.262 17783 10029 1 18 . 1 1 75 75 GLU C C 397 179.136 179.136 178.726 0.410 17783 10030 1 18 . 1 1 75 75 GLU CA C 397 60.077 60.077 58.689 1.388 17783 10031 1 18 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.331 -0.583 17783 10032 1 18 . 1 1 75 75 GLU H H 397 8.529 8.529 7.469 1.060 17783 10033 1 18 . 1 1 76 76 GLU N N 398 119.987 119.987 120.906 -0.919 17783 10034 1 18 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.025 -0.190 17783 10035 1 18 . 1 1 76 76 GLU C C 398 178.564 178.564 178.415 0.149 17783 10036 1 18 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.864 0.498 17783 10037 1 18 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.240 1.191 17783 10038 1 18 . 1 1 76 76 GLU H H 398 7.804 7.804 8.468 -0.664 17783 10039 1 18 . 1 1 77 77 ALA N N 399 122.630 122.630 121.109 1.521 17783 10040 1 18 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.171 -0.583 17783 10041 1 18 . 1 1 77 77 ALA C C 399 177.764 177.764 179.313 -1.549 17783 10042 1 18 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.494 -0.133 17783 10043 1 18 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.090 -0.424 17783 10044 1 18 . 1 1 77 77 ALA H H 399 7.294 7.294 7.440 -0.146 17783 10045 1 18 . 1 1 78 78 LYS N N 400 115.403 115.403 117.820 -2.417 17783 10046 1 18 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.969 -0.199 17783 10047 1 18 . 1 1 78 78 LYS C C 400 180.700 180.700 178.639 2.061 17783 10048 1 18 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.740 0.802 17783 10049 1 18 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.182 -0.349 17783 10050 1 18 . 1 1 78 78 LYS H H 400 8.001 8.001 7.826 0.175 17783 10051 1 18 . 1 1 79 79 LYS N N 401 119.756 119.756 118.481 1.275 17783 10052 1 18 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.196 -0.227 17783 10053 1 18 . 1 1 79 79 LYS C C 401 178.347 178.347 178.012 0.335 17783 10054 1 18 . 1 1 79 79 LYS CA C 401 58.976 58.976 57.878 1.098 17783 10055 1 18 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.693 -0.395 17783 10056 1 18 . 1 1 79 79 LYS H H 401 7.788 7.788 7.383 0.405 17783 10057 1 18 . 1 1 80 80 ALA N N 402 120.725 120.725 123.233 -2.508 17783 10058 1 18 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.033 0.110 17783 10059 1 18 . 1 1 80 80 ALA C C 402 180.118 180.118 179.453 0.665 17783 10060 1 18 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.940 -1.168 17783 10061 1 18 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.593 0.876 17783 10062 1 18 . 1 1 80 80 ALA H H 402 7.334 7.334 7.451 -0.117 17783 10063 1 18 . 1 1 81 81 VAL N N 403 120.431 120.431 118.467 1.964 17783 10064 1 18 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.719 -0.357 17783 10065 1 18 . 1 1 81 81 VAL C C 403 177.205 177.205 177.296 -0.091 17783 10066 1 18 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.207 1.521 17783 10067 1 18 . 1 1 81 81 VAL CB C 403 31.733 31.733 30.982 0.751 17783 10068 1 18 . 1 1 81 81 VAL H H 403 7.480 7.480 7.616 -0.136 17783 10069 1 18 . 1 1 82 82 SER N N 404 110.126 110.126 114.087 -3.961 17783 10070 1 18 . 1 1 82 82 SER HA H 404 4.143 4.143 4.212 -0.069 17783 10071 1 18 . 1 1 82 82 SER C C 404 174.813 174.813 175.822 -1.009 17783 10072 1 18 . 1 1 82 82 SER CA C 404 60.751 60.751 61.427 -0.676 17783 10073 1 18 . 1 1 82 82 SER CB C 404 63.287 63.287 63.088 0.199 17783 10074 1 18 . 1 1 82 82 SER H H 404 7.326 7.326 7.750 -0.424 17783 10075 1 18 . 1 1 83 83 THR N N 405 110.438 110.438 113.987 -3.549 17783 10076 1 18 . 1 1 83 83 THR HA H 405 4.461 4.461 4.073 0.388 17783 10077 1 18 . 1 1 83 83 THR C C 405 175.081 175.081 175.607 -0.526 17783 10078 1 18 . 1 1 83 83 THR CA C 405 61.761 61.761 63.618 -1.857 17783 10079 1 18 . 1 1 83 83 THR CB C 405 69.795 69.795 68.950 0.845 17783 10080 1 18 . 1 1 83 83 THR H H 405 7.634 7.634 7.724 -0.090 17783 10081 1 18 . 1 1 84 84 LEU N N 406 123.244 123.244 122.549 0.695 17783 10082 1 18 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.201 0.439 17783 10083 1 18 . 1 1 84 84 LEU C C 406 174.599 174.599 175.581 -0.982 17783 10084 1 18 . 1 1 84 84 LEU CA C 406 53.295 53.295 53.782 -0.487 17783 10085 1 18 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.320 -0.611 17783 10086 1 18 . 1 1 84 84 LEU H H 406 7.478 7.478 7.503 -0.025 17783 10087 1 18 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.501 -0.008 17783 10088 1 18 . 1 1 85 85 PRO C C 407 177.743 177.743 177.260 0.483 17783 10089 1 18 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.413 0.731 17783 10090 1 18 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.505 0.416 17783 10091 1 18 . 1 1 86 86 ALA N N 408 128.809 128.809 122.585 6.224 17783 10092 1 18 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.078 -0.132 17783 10093 1 18 . 1 1 86 86 ALA C C 408 180.517 180.517 179.277 1.240 17783 10094 1 18 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.572 0.933 17783 10095 1 18 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.156 0.189 17783 10096 1 18 . 1 1 86 86 ALA H H 408 9.168 9.168 8.554 0.614 17783 10097 1 18 . 1 1 87 87 ASP N N 409 116.520 116.520 119.221 -2.701 17783 10098 1 18 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.360 0.102 17783 10099 1 18 . 1 1 87 87 ASP C C 409 178.081 178.081 177.159 0.922 17783 10100 1 18 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.296 -0.361 17783 10101 1 18 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.017 0.341 17783 10102 1 18 . 1 1 87 87 ASP H H 409 9.359 9.359 8.812 0.547 17783 10103 1 18 . 1 1 88 88 VAL N N 410 117.452 117.452 116.345 1.107 17783 10104 1 18 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.061 0.028 17783 10105 1 18 . 1 1 88 88 VAL C C 410 178.675 178.675 177.661 1.014 17783 10106 1 18 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.177 -0.302 17783 10107 1 18 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.200 -0.916 17783 10108 1 18 . 1 1 88 88 VAL H H 410 7.355 7.355 7.684 -0.329 17783 10109 1 18 . 1 1 89 89 GLN N N 411 119.387 119.387 120.736 -1.349 17783 10110 1 18 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.958 -0.314 17783 10111 1 18 . 1 1 89 89 GLN C C 411 179.168 179.168 178.180 0.988 17783 10112 1 18 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.863 1.849 17783 10113 1 18 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.562 -0.052 17783 10114 1 18 . 1 1 89 89 GLN H H 411 8.271 8.271 8.358 -0.087 17783 10115 1 18 . 1 1 90 90 ALA N N 412 118.634 118.634 121.809 -3.175 17783 10116 1 18 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.241 0.024 17783 10117 1 18 . 1 1 90 90 ALA C C 412 177.949 177.949 178.432 -0.483 17783 10118 1 18 . 1 1 90 90 ALA CA C 412 53.941 53.941 53.781 0.160 17783 10119 1 18 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.328 -0.001 17783 10120 1 18 . 1 1 90 90 ALA H H 412 7.794 7.794 8.437 -0.643 17783 10121 1 18 . 1 1 91 91 LYS N N 413 115.842 115.842 118.642 -2.800 17783 10122 1 18 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.245 0.087 17783 10123 1 18 . 1 1 91 91 LYS C C 413 175.829 175.829 176.043 -0.214 17783 10124 1 18 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.043 0.327 17783 10125 1 18 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.624 -1.140 17783 10126 1 18 . 1 1 91 91 LYS H H 413 7.398 7.398 7.715 -0.317 17783 10127 1 18 . 1 1 92 92 ASN N N 414 113.776 113.776 117.473 -3.697 17783 10128 1 18 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.480 0.056 17783 10129 1 18 . 1 1 92 92 ASN C C 414 171.075 171.075 173.364 -2.289 17783 10130 1 18 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.132 0.931 17783 10131 1 18 . 1 1 92 92 ASN CB C 414 37.081 37.081 37.332 -0.251 17783 10132 1 18 . 1 1 92 92 ASN H H 414 8.178 8.178 7.889 0.289 17783 10133 1 18 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.822 0.180 17783 10134 1 18 . 1 1 93 93 PRO C C 415 175.682 175.682 176.651 -0.969 17783 10135 1 18 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.472 0.018 17783 10136 1 18 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.081 1.504 17783 10137 1 18 . 1 1 94 94 TRP N N 416 117.925 117.925 122.809 -4.884 17783 10138 1 18 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.972 0.045 17783 10139 1 18 . 1 1 94 94 TRP C C 416 173.607 173.607 174.171 -0.564 17783 10140 1 18 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.879 -0.884 17783 10141 1 18 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.161 1.346 17783 10142 1 18 . 1 1 94 94 TRP H H 416 7.921 7.921 8.740 -0.819 17783 10143 1 18 . 1 1 95 95 ALA N N 417 123.924 123.924 125.348 -1.424 17783 10144 1 18 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.104 0.651 17783 10145 1 18 . 1 1 95 95 ALA C C 417 174.171 174.171 176.668 -2.497 17783 10146 1 18 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.580 -0.943 17783 10147 1 18 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.595 -0.127 17783 10148 1 18 . 1 1 95 95 ALA H H 417 8.878 8.878 8.245 0.633 17783 10149 1 18 . 1 1 96 96 LYS N N 418 129.441 129.441 120.401 9.040 17783 10150 1 18 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.564 0.458 17783 10151 1 18 . 1 1 96 96 LYS C C 418 173.451 173.451 174.095 -0.644 17783 10152 1 18 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.558 -0.994 17783 10153 1 18 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.841 4.142 17783 10154 1 18 . 1 1 96 96 LYS H H 418 9.235 9.235 8.292 0.943 17783 10155 1 18 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.139 -0.375 17783 10156 1 18 . 1 1 97 97 PRO C C 419 178.893 178.893 177.122 1.771 17783 10157 1 18 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.082 -0.187 17783 10158 1 18 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.368 0.352 17783 10159 1 18 . 1 1 98 98 LEU N N 420 126.746 126.746 123.188 3.558 17783 10160 1 18 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.210 -0.407 17783 10161 1 18 . 1 1 98 98 LEU C C 420 179.040 179.040 178.380 0.660 17783 10162 1 18 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.242 1.126 17783 10163 1 18 . 1 1 98 98 LEU CB C 420 39.941 39.941 42.024 -2.083 17783 10164 1 18 . 1 1 98 98 LEU H H 420 9.179 9.179 8.507 0.672 17783 10165 1 18 . 1 1 99 99 ARG N N 421 118.262 118.262 117.218 1.044 17783 10166 1 18 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.988 0.071 17783 10167 1 18 . 1 1 99 99 ARG C C 421 178.140 178.140 176.331 1.809 17783 10168 1 18 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.326 0.767 17783 10169 1 18 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.524 0.432 17783 10170 1 18 . 1 1 99 99 ARG H H 421 8.014 8.014 8.332 -0.318 17783 10171 1 18 . 1 1 100 100 GLN N N 422 116.539 116.539 116.447 0.092 17783 10172 1 18 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.346 -0.136 17783 10173 1 18 . 1 1 100 100 GLN C C 422 177.594 177.594 177.873 -0.279 17783 10174 1 18 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.669 0.064 17783 10175 1 18 . 1 1 100 100 GLN CB C 422 29.178 29.178 30.245 -1.067 17783 10176 1 18 . 1 1 100 100 GLN H H 422 7.258 7.258 7.401 -0.143 17783 10177 1 18 . 1 1 101 101 VAL N N 423 119.665 119.665 121.072 -1.407 17783 10178 1 18 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.769 -0.221 17783 10179 1 18 . 1 1 101 101 VAL C C 423 177.040 177.040 178.094 -1.054 17783 10180 1 18 . 1 1 101 101 VAL CA C 423 65.447 65.447 66.046 -0.599 17783 10181 1 18 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.070 1.483 17783 10182 1 18 . 1 1 101 101 VAL H H 423 7.090 7.090 8.070 -0.980 17783 10183 1 18 . 1 1 102 102 GLN N N 424 115.032 115.032 117.938 -2.906 17783 10184 1 18 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.924 -0.359 17783 10185 1 18 . 1 1 102 102 GLN C C 424 177.994 177.994 176.772 1.222 17783 10186 1 18 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.160 0.723 17783 10187 1 18 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.897 -0.837 17783 10188 1 18 . 1 1 102 102 GLN H H 424 8.553 8.553 7.722 0.831 17783 10189 1 18 . 1 1 103 103 ALA N N 425 120.742 120.742 123.964 -3.222 17783 10190 1 18 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.034 0.124 17783 10191 1 18 . 1 1 103 103 ALA C C 425 178.545 178.545 178.644 -0.099 17783 10192 1 18 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.827 -0.552 17783 10193 1 18 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.986 -0.664 17783 10194 1 18 . 1 1 103 103 ALA H H 425 7.366 7.366 8.013 -0.647 17783 10195 1 18 . 1 1 104 104 ASP N N 426 117.066 117.066 117.802 -0.736 17783 10196 1 18 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.417 0.291 17783 10197 1 18 . 1 1 104 104 ASP C C 426 176.876 176.876 177.344 -0.468 17783 10198 1 18 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.099 0.124 17783 10199 1 18 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.105 2.396 17783 10200 1 18 . 1 1 104 104 ASP H H 426 7.628 7.628 7.867 -0.239 17783 10201 1 18 . 1 1 105 105 LEU N N 427 119.853 119.853 123.402 -3.549 17783 10202 1 18 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.149 0.150 17783 10203 1 18 . 1 1 105 105 LEU C C 427 176.118 176.118 176.258 -0.140 17783 10204 1 18 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.476 -0.490 17783 10205 1 18 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.539 -0.461 17783 10206 1 18 . 1 1 105 105 LEU H H 427 7.242 7.242 7.646 -0.404 17783 10207 1 19 . 1 1 2 2 ARG N N 324 121.883 121.883 124.035 -2.152 17783 10208 1 19 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.324 0.020 17783 10209 1 19 . 1 1 2 2 ARG C C 324 176.887 176.887 176.633 0.254 17783 10210 1 19 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.156 0.349 17783 10211 1 19 . 1 1 2 2 ARG CB C 324 30.734 30.734 28.407 2.327 17783 10212 1 19 . 1 1 2 2 ARG H H 324 8.373 8.373 8.490 -0.117 17783 10213 1 19 . 1 1 3 3 GLY N N 325 111.231 111.231 109.139 2.092 17783 10214 1 19 . 1 1 3 3 GLY C C 325 174.037 174.037 174.027 0.010 17783 10215 1 19 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.854 0.374 17783 10216 1 19 . 1 1 3 3 GLY H H 325 8.683 8.683 8.285 0.398 17783 10217 1 19 . 1 1 4 4 SER N N 326 115.541 115.541 114.183 1.358 17783 10218 1 19 . 1 1 4 4 SER HA H 326 4.377 4.377 4.292 0.085 17783 10219 1 19 . 1 1 4 4 SER C C 326 174.454 174.454 175.075 -0.621 17783 10220 1 19 . 1 1 4 4 SER CA C 326 58.315 58.315 58.352 -0.037 17783 10221 1 19 . 1 1 4 4 SER CB C 326 63.902 63.902 63.091 0.811 17783 10222 1 19 . 1 1 4 4 SER H H 326 8.237 8.237 8.088 0.149 17783 10223 1 19 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.377 0.203 17783 10224 1 19 . 1 1 10 10 HIS C C 332 175.292 175.292 175.299 -0.007 17783 10225 1 19 . 1 1 10 10 HIS CA C 332 55.946 55.946 53.270 2.676 17783 10226 1 19 . 1 1 10 10 HIS CB C 332 30.123 30.123 26.851 3.272 17783 10227 1 19 . 1 1 11 11 GLY N N 333 110.527 110.527 109.819 0.708 17783 10228 1 19 . 1 1 11 11 GLY C C 333 174.126 174.126 174.744 -0.618 17783 10229 1 19 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.392 -0.065 17783 10230 1 19 . 1 1 11 11 GLY H H 333 8.540 8.540 7.920 0.620 17783 10231 1 19 . 1 1 12 12 SER N N 334 115.752 115.752 120.340 -4.588 17783 10232 1 19 . 1 1 12 12 SER HA H 334 4.436 4.436 4.343 0.093 17783 10233 1 19 . 1 1 12 12 SER C C 334 174.538 174.538 174.253 0.285 17783 10234 1 19 . 1 1 12 12 SER CA C 334 58.486 58.486 57.339 1.147 17783 10235 1 19 . 1 1 12 12 SER CB C 334 63.927 63.927 62.133 1.794 17783 10236 1 19 . 1 1 12 12 SER H H 334 8.356 8.356 7.968 0.388 17783 10237 1 19 . 1 1 13 13 ASN N N 335 120.410 120.410 124.692 -4.282 17783 10238 1 19 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.524 0.205 17783 10239 1 19 . 1 1 13 13 ASN C C 335 175.116 175.116 175.317 -0.201 17783 10240 1 19 . 1 1 13 13 ASN CA C 335 53.386 53.386 52.418 0.968 17783 10241 1 19 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.116 -0.448 17783 10242 1 19 . 1 1 13 13 ASN H H 335 8.575 8.575 7.997 0.578 17783 10243 1 19 . 1 1 14 14 ASN N N 336 119.094 119.094 118.187 0.907 17783 10244 1 19 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.322 0.407 17783 10245 1 19 . 1 1 14 14 ASN C C 336 175.395 175.395 174.958 0.437 17783 10246 1 19 . 1 1 14 14 ASN CA C 336 53.385 53.385 54.687 -1.302 17783 10247 1 19 . 1 1 14 14 ASN CB C 336 38.669 38.669 37.873 0.796 17783 10248 1 19 . 1 1 14 14 ASN H H 336 8.447 8.447 8.663 -0.216 17783 10249 1 19 . 1 1 15 15 ASN N N 337 118.915 118.915 118.181 0.734 17783 10250 1 19 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.446 0.088 17783 10251 1 19 . 1 1 15 15 ASN C C 337 176.390 176.390 173.980 2.410 17783 10252 1 19 . 1 1 15 15 ASN CA C 337 53.991 53.991 54.103 -0.112 17783 10253 1 19 . 1 1 15 15 ASN CB C 337 38.621 38.621 36.452 2.169 17783 10254 1 19 . 1 1 15 15 ASN H H 337 8.446 8.446 8.590 -0.144 17783 10255 1 19 . 1 1 16 16 GLY N N 338 108.851 108.851 104.867 3.984 17783 10256 1 19 . 1 1 16 16 GLY C C 338 175.459 175.459 174.722 0.737 17783 10257 1 19 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.269 1.483 17783 10258 1 19 . 1 1 16 16 GLY H H 338 8.454 8.454 7.966 0.488 17783 10259 1 19 . 1 1 17 17 SER N N 339 116.218 116.218 116.536 -0.318 17783 10260 1 19 . 1 1 17 17 SER HA H 339 4.229 4.229 4.287 -0.058 17783 10261 1 19 . 1 1 17 17 SER C C 339 175.869 175.869 175.289 0.580 17783 10262 1 19 . 1 1 17 17 SER CA C 339 59.759 59.759 60.525 -0.766 17783 10263 1 19 . 1 1 17 17 SER CB C 339 62.973 62.973 62.970 0.003 17783 10264 1 19 . 1 1 17 17 SER H H 339 8.170 8.170 8.401 -0.231 17783 10265 1 19 . 1 1 18 18 LEU N N 340 121.515 121.515 121.073 0.442 17783 10266 1 19 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.313 -0.311 17783 10267 1 19 . 1 1 18 18 LEU C C 340 178.399 178.399 178.875 -0.476 17783 10268 1 19 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.381 0.770 17783 10269 1 19 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.307 0.769 17783 10270 1 19 . 1 1 18 18 LEU H H 340 7.790 7.790 7.961 -0.171 17783 10271 1 19 . 1 1 19 19 LYS N N 341 117.145 117.145 120.349 -3.204 17783 10272 1 19 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.108 -0.300 17783 10273 1 19 . 1 1 19 19 LYS C C 341 176.960 176.960 179.303 -2.343 17783 10274 1 19 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.109 1.083 17783 10275 1 19 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.834 0.959 17783 10276 1 19 . 1 1 19 19 LYS H H 341 7.893 7.893 7.432 0.461 17783 10277 1 19 . 1 1 20 20 SER N N 342 110.377 110.377 116.119 -5.742 17783 10278 1 19 . 1 1 20 20 SER HA H 342 4.369 4.369 4.383 -0.014 17783 10279 1 19 . 1 1 20 20 SER C C 342 173.735 173.735 173.506 0.229 17783 10280 1 19 . 1 1 20 20 SER CA C 342 58.141 58.141 56.877 1.264 17783 10281 1 19 . 1 1 20 20 SER CB C 342 63.900 63.900 61.718 2.182 17783 10282 1 19 . 1 1 20 20 SER H H 342 7.546 7.546 7.983 -0.437 17783 10283 1 19 . 1 1 21 21 ALA N N 343 125.662 125.662 124.707 0.955 17783 10284 1 19 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.479 -0.117 17783 10285 1 19 . 1 1 21 21 ALA C C 343 174.051 174.051 175.561 -1.510 17783 10286 1 19 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.750 0.822 17783 10287 1 19 . 1 1 21 21 ALA CB C 343 18.134 18.134 19.123 -0.989 17783 10288 1 19 . 1 1 21 21 ALA H H 343 6.852 6.852 7.609 -0.757 17783 10289 1 19 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.372 -0.134 17783 10290 1 19 . 1 1 22 22 PRO C C 344 178.184 178.184 176.398 1.786 17783 10291 1 19 . 1 1 22 22 PRO CA C 344 63.082 63.082 63.108 -0.026 17783 10292 1 19 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.543 1.061 17783 10293 1 19 . 1 1 23 23 SER N N 345 118.662 118.662 118.877 -0.215 17783 10294 1 19 . 1 1 23 23 SER HA H 345 3.825 3.825 4.242 -0.417 17783 10295 1 19 . 1 1 23 23 SER C C 345 174.231 174.231 175.038 -0.807 17783 10296 1 19 . 1 1 23 23 SER CA C 345 60.892 60.892 58.178 2.714 17783 10297 1 19 . 1 1 23 23 SER CB C 345 63.223 63.223 63.012 0.211 17783 10298 1 19 . 1 1 23 23 SER H H 345 8.566 8.566 8.100 0.466 17783 10299 1 19 . 1 1 24 24 SER N N 346 111.938 111.938 115.728 -3.790 17783 10300 1 19 . 1 1 24 24 SER HA H 346 4.383 4.383 4.310 0.073 17783 10301 1 19 . 1 1 24 24 SER C C 346 175.152 175.152 174.483 0.669 17783 10302 1 19 . 1 1 24 24 SER CA C 346 58.247 58.247 59.778 -1.531 17783 10303 1 19 . 1 1 24 24 SER CB C 346 63.958 63.958 63.136 0.822 17783 10304 1 19 . 1 1 24 24 SER H H 346 7.675 7.675 7.882 -0.207 17783 10305 1 19 . 1 1 25 25 HIS N N 347 122.882 122.882 119.752 3.130 17783 10306 1 19 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.875 -0.025 17783 10307 1 19 . 1 1 25 25 HIS C C 347 173.574 173.574 174.773 -1.199 17783 10308 1 19 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.445 0.630 17783 10309 1 19 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.649 1.199 17783 10310 1 19 . 1 1 25 25 HIS H H 347 7.628 7.628 7.217 0.411 17783 10311 1 19 . 1 1 26 26 TYR N N 348 117.921 117.921 122.666 -4.745 17783 10312 1 19 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.624 0.365 17783 10313 1 19 . 1 1 26 26 TYR C C 348 174.086 174.086 174.608 -0.522 17783 10314 1 19 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.101 0.086 17783 10315 1 19 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.804 2.030 17783 10316 1 19 . 1 1 26 26 TYR H H 348 9.606 9.606 8.417 1.189 17783 10317 1 19 . 1 1 27 27 THR N N 349 115.914 115.914 115.478 0.436 17783 10318 1 19 . 1 1 27 27 THR HA H 349 5.027 5.027 4.786 0.241 17783 10319 1 19 . 1 1 27 27 THR C C 349 172.904 172.904 173.934 -1.030 17783 10320 1 19 . 1 1 27 27 THR CA C 349 58.835 58.835 61.854 -3.019 17783 10321 1 19 . 1 1 27 27 THR CB C 349 70.587 70.587 70.251 0.336 17783 10322 1 19 . 1 1 27 27 THR H H 349 8.974 8.974 8.371 0.603 17783 10323 1 19 . 1 1 28 28 LEU N N 350 123.392 123.392 126.023 -2.631 17783 10324 1 19 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.254 0.735 17783 10325 1 19 . 1 1 28 28 LEU C C 350 176.111 176.111 176.884 -0.773 17783 10326 1 19 . 1 1 28 28 LEU CA C 350 53.098 53.098 56.201 -3.103 17783 10327 1 19 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.275 2.595 17783 10328 1 19 . 1 1 28 28 LEU H H 350 8.249 8.249 8.767 -0.518 17783 10329 1 19 . 1 1 29 29 GLN N N 351 122.797 122.797 115.397 7.400 17783 10330 1 19 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.667 -0.114 17783 10331 1 19 . 1 1 29 29 GLN C C 351 175.435 175.435 175.533 -0.098 17783 10332 1 19 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.921 1.022 17783 10333 1 19 . 1 1 29 29 GLN CB C 351 27.231 27.231 31.779 -4.548 17783 10334 1 19 . 1 1 29 29 GLN H H 351 8.915 8.915 8.244 0.671 17783 10335 1 19 . 1 1 30 30 LEU N N 352 125.239 125.239 124.882 0.357 17783 10336 1 19 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.502 -0.135 17783 10337 1 19 . 1 1 30 30 LEU C C 352 177.250 177.250 176.709 0.541 17783 10338 1 19 . 1 1 30 30 LEU CA C 352 56.101 56.101 57.104 -1.003 17783 10339 1 19 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.870 0.230 17783 10340 1 19 . 1 1 30 30 LEU H H 352 8.920 8.920 8.808 0.112 17783 10341 1 19 . 1 1 31 31 SER N N 353 106.816 106.816 108.369 -1.553 17783 10342 1 19 . 1 1 31 31 SER HA H 353 4.493 4.493 4.461 0.032 17783 10343 1 19 . 1 1 31 31 SER C C 353 171.831 171.831 172.351 -0.520 17783 10344 1 19 . 1 1 31 31 SER CA C 353 57.160 57.160 57.664 -0.504 17783 10345 1 19 . 1 1 31 31 SER CB C 353 64.360 64.360 63.914 0.446 17783 10346 1 19 . 1 1 31 31 SER H H 353 7.548 7.548 8.217 -0.669 17783 10347 1 19 . 1 1 32 32 SER N N 354 113.518 113.518 115.116 -1.598 17783 10348 1 19 . 1 1 32 32 SER HA H 354 5.026 5.026 4.318 0.708 17783 10349 1 19 . 1 1 32 32 SER C C 354 172.512 172.512 171.838 0.674 17783 10350 1 19 . 1 1 32 32 SER CA C 354 57.285 57.285 57.190 0.095 17783 10351 1 19 . 1 1 32 32 SER CB C 354 65.347 65.347 65.052 0.295 17783 10352 1 19 . 1 1 32 32 SER H H 354 8.127 8.127 8.195 -0.068 17783 10353 1 19 . 1 1 33 33 SER N N 355 114.624 114.624 113.761 0.863 17783 10354 1 19 . 1 1 33 33 SER HA H 355 4.106 4.106 4.417 -0.311 17783 10355 1 19 . 1 1 33 33 SER C C 355 171.639 171.639 172.201 -0.562 17783 10356 1 19 . 1 1 33 33 SER CA C 355 57.276 57.276 57.258 0.018 17783 10357 1 19 . 1 1 33 33 SER CB C 355 64.539 64.539 64.619 -0.080 17783 10358 1 19 . 1 1 33 33 SER H H 355 8.616 8.616 6.493 2.123 17783 10359 1 19 . 1 1 34 34 SER N N 356 116.467 116.467 115.076 1.391 17783 10360 1 19 . 1 1 34 34 SER HA H 356 4.241 4.241 4.894 -0.653 17783 10361 1 19 . 1 1 34 34 SER C C 356 173.820 173.820 172.991 0.829 17783 10362 1 19 . 1 1 34 34 SER CA C 356 59.074 59.074 58.358 0.716 17783 10363 1 19 . 1 1 34 34 SER CB C 356 63.741 63.741 63.355 0.386 17783 10364 1 19 . 1 1 34 34 SER H H 356 8.132 8.132 8.416 -0.284 17783 10365 1 19 . 1 1 35 35 ASN N N 357 122.206 122.206 119.458 2.748 17783 10366 1 19 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.103 -0.182 17783 10367 1 19 . 1 1 35 35 ASN C C 357 172.965 172.965 173.968 -1.003 17783 10368 1 19 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.039 -0.592 17783 10369 1 19 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.502 0.423 17783 10370 1 19 . 1 1 35 35 ASN H H 357 8.511 8.511 8.173 0.338 17783 10371 1 19 . 1 1 36 36 TYR N N 358 127.519 127.519 125.005 2.514 17783 10372 1 19 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.950 -0.978 17783 10373 1 19 . 1 1 36 36 TYR C C 358 176.522 176.522 176.604 -0.082 17783 10374 1 19 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.416 -0.447 17783 10375 1 19 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.535 -0.824 17783 10376 1 19 . 1 1 36 36 TYR H H 358 8.002 8.002 8.809 -0.807 17783 10377 1 19 . 1 1 37 37 ASP N N 359 118.658 118.658 119.566 -0.908 17783 10378 1 19 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.335 -0.192 17783 10379 1 19 . 1 1 37 37 ASP C C 359 179.804 179.804 178.272 1.532 17783 10380 1 19 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.422 -0.919 17783 10381 1 19 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.082 0.096 17783 10382 1 19 . 1 1 37 37 ASP H H 359 8.033 8.033 9.017 -0.984 17783 10383 1 19 . 1 1 38 38 ASN N N 360 119.802 119.802 117.818 1.984 17783 10384 1 19 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.480 -0.177 17783 10385 1 19 . 1 1 38 38 ASN C C 360 177.720 177.720 177.471 0.249 17783 10386 1 19 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.325 0.125 17783 10387 1 19 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.114 -0.351 17783 10388 1 19 . 1 1 38 38 ASN H H 360 8.380 8.380 8.413 -0.033 17783 10389 1 19 . 1 1 39 39 LEU N N 361 121.625 121.625 121.766 -0.141 17783 10390 1 19 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.144 -0.047 17783 10391 1 19 . 1 1 39 39 LEU C C 361 177.738 177.738 177.670 0.068 17783 10392 1 19 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.700 -0.135 17783 10393 1 19 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.855 0.873 17783 10394 1 19 . 1 1 39 39 LEU H H 361 7.243 7.243 7.660 -0.417 17783 10395 1 19 . 1 1 40 40 ASN N N 362 116.601 116.601 117.024 -0.423 17783 10396 1 19 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.100 0.045 17783 10397 1 19 . 1 1 40 40 ASN C C 362 177.253 177.253 177.338 -0.085 17783 10398 1 19 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.462 0.064 17783 10399 1 19 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.220 1.106 17783 10400 1 19 . 1 1 40 40 ASN H H 362 8.284 8.284 8.441 -0.157 17783 10401 1 19 . 1 1 41 41 GLY N N 363 104.958 104.958 107.304 -2.346 17783 10402 1 19 . 1 1 41 41 GLY C C 363 176.323 176.323 175.589 0.734 17783 10403 1 19 . 1 1 41 41 GLY CA C 363 46.839 46.839 47.068 -0.229 17783 10404 1 19 . 1 1 41 41 GLY H H 363 8.334 8.334 7.825 0.509 17783 10405 1 19 . 1 1 42 42 TRP N N 364 125.066 125.066 124.448 0.618 17783 10406 1 19 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.250 -0.024 17783 10407 1 19 . 1 1 42 42 TRP C C 364 176.509 176.509 177.945 -1.436 17783 10408 1 19 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.624 0.865 17783 10409 1 19 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.329 -1.453 17783 10410 1 19 . 1 1 42 42 TRP H H 364 7.833 7.833 7.776 0.057 17783 10411 1 19 . 1 1 43 43 ALA N N 365 120.030 120.030 121.026 -0.996 17783 10412 1 19 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.205 -0.211 17783 10413 1 19 . 1 1 43 43 ALA C C 365 179.186 179.186 179.444 -0.258 17783 10414 1 19 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.166 -0.165 17783 10415 1 19 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.770 -0.682 17783 10416 1 19 . 1 1 43 43 ALA H H 365 7.701 7.701 8.210 -0.509 17783 10417 1 19 . 1 1 44 44 LYS N N 366 115.064 115.064 116.440 -1.376 17783 10418 1 19 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.903 0.130 17783 10419 1 19 . 1 1 44 44 LYS C C 366 180.830 180.830 179.130 1.700 17783 10420 1 19 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.942 0.049 17783 10421 1 19 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.396 -0.046 17783 10422 1 19 . 1 1 44 44 LYS H H 366 7.562 7.562 7.851 -0.289 17783 10423 1 19 . 1 1 45 45 LYS N N 367 123.180 123.180 120.486 2.694 17783 10424 1 19 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.030 -0.123 17783 10425 1 19 . 1 1 45 45 LYS C C 367 178.319 178.319 178.528 -0.209 17783 10426 1 19 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.880 0.164 17783 10427 1 19 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.455 -0.389 17783 10428 1 19 . 1 1 45 45 LYS H H 367 8.067 8.067 7.556 0.511 17783 10429 1 19 . 1 1 46 46 GLU N N 368 114.882 114.882 116.791 -1.909 17783 10430 1 19 . 1 1 46 46 GLU HA H 368 3.917 3.917 3.943 -0.026 17783 10431 1 19 . 1 1 46 46 GLU C C 368 174.639 174.639 176.120 -1.481 17783 10432 1 19 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.983 -1.967 17783 10433 1 19 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.020 -1.343 17783 10434 1 19 . 1 1 46 46 GLU H H 368 7.488 7.488 7.837 -0.349 17783 10435 1 19 . 1 1 47 47 ASN N N 369 114.944 114.944 115.646 -0.702 17783 10436 1 19 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.278 -0.006 17783 10437 1 19 . 1 1 47 47 ASN C C 369 174.759 174.759 174.112 0.647 17783 10438 1 19 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.446 0.258 17783 10439 1 19 . 1 1 47 47 ASN CB C 369 37.059 37.059 37.080 -0.021 17783 10440 1 19 . 1 1 47 47 ASN H H 369 7.772 7.772 7.340 0.432 17783 10441 1 19 . 1 1 48 48 LEU N N 370 116.008 116.008 119.285 -3.277 17783 10442 1 19 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.997 0.123 17783 10443 1 19 . 1 1 48 48 LEU C C 370 177.056 177.056 176.486 0.570 17783 10444 1 19 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.611 -0.493 17783 10445 1 19 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.545 1.372 17783 10446 1 19 . 1 1 48 48 LEU H H 370 7.463 7.463 7.266 0.197 17783 10447 1 19 . 1 1 49 49 LYS N N 371 120.012 120.012 123.972 -3.960 17783 10448 1 19 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.488 0.072 17783 10449 1 19 . 1 1 49 49 LYS C C 371 176.481 176.481 176.449 0.032 17783 10450 1 19 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.969 -0.640 17783 10451 1 19 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.027 1.528 17783 10452 1 19 . 1 1 49 49 LYS H H 371 8.518 8.518 8.384 0.134 17783 10453 1 19 . 1 1 50 50 ASN N N 372 117.610 117.610 119.692 -2.082 17783 10454 1 19 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.313 0.201 17783 10455 1 19 . 1 1 50 50 ASN C C 372 173.445 173.445 173.488 -0.043 17783 10456 1 19 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.267 -0.830 17783 10457 1 19 . 1 1 50 50 ASN CB C 372 37.932 37.932 37.546 0.386 17783 10458 1 19 . 1 1 50 50 ASN H H 372 8.734 8.734 8.866 -0.132 17783 10459 1 19 . 1 1 51 51 TYR N N 373 117.151 117.151 115.574 1.577 17783 10460 1 19 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.253 0.142 17783 10461 1 19 . 1 1 51 51 TYR C C 373 173.549 173.549 174.169 -0.620 17783 10462 1 19 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.382 -0.600 17783 10463 1 19 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.519 -0.108 17783 10464 1 19 . 1 1 51 51 TYR H H 373 7.570 7.570 7.551 0.019 17783 10465 1 19 . 1 1 52 52 VAL N N 374 120.887 120.887 122.096 -1.209 17783 10466 1 19 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.359 -0.061 17783 10467 1 19 . 1 1 52 52 VAL C C 374 174.289 174.289 174.763 -0.474 17783 10468 1 19 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.674 0.040 17783 10469 1 19 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.514 2.070 17783 10470 1 19 . 1 1 52 52 VAL H H 374 9.140 9.140 8.832 0.308 17783 10471 1 19 . 1 1 53 53 VAL N N 375 126.060 126.060 125.440 0.620 17783 10472 1 19 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.393 1.022 17783 10473 1 19 . 1 1 53 53 VAL C C 375 175.803 175.803 175.814 -0.011 17783 10474 1 19 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.103 -1.447 17783 10475 1 19 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.677 1.059 17783 10476 1 19 . 1 1 53 53 VAL H H 375 8.600 8.600 8.486 0.114 17783 10477 1 19 . 1 1 54 54 TYR N N 376 125.706 125.706 123.514 2.192 17783 10478 1 19 . 1 1 54 54 TYR HA H 376 5.422 5.422 4.926 0.496 17783 10479 1 19 . 1 1 54 54 TYR C C 376 172.139 172.139 173.845 -1.706 17783 10480 1 19 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.818 -0.688 17783 10481 1 19 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.388 1.269 17783 10482 1 19 . 1 1 54 54 TYR H H 376 9.292 9.292 8.085 1.207 17783 10483 1 19 . 1 1 55 55 GLU N N 377 122.063 122.063 119.326 2.737 17783 10484 1 19 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.205 0.509 17783 10485 1 19 . 1 1 55 55 GLU C C 377 175.011 175.011 175.325 -0.314 17783 10486 1 19 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.455 -0.312 17783 10487 1 19 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.397 2.262 17783 10488 1 19 . 1 1 55 55 GLU H H 377 8.758 8.758 8.873 -0.115 17783 10489 1 19 . 1 1 56 56 THR N N 378 122.855 122.855 113.807 9.048 17783 10490 1 19 . 1 1 56 56 THR HA H 378 4.848 4.848 4.514 0.334 17783 10491 1 19 . 1 1 56 56 THR C C 378 173.550 173.550 173.440 0.110 17783 10492 1 19 . 1 1 56 56 THR CA C 378 58.732 58.732 60.759 -2.027 17783 10493 1 19 . 1 1 56 56 THR CB C 378 70.181 70.181 70.923 -0.742 17783 10494 1 19 . 1 1 56 56 THR H H 378 9.160 9.160 7.269 1.891 17783 10495 1 19 . 1 1 57 57 THR N N 379 116.629 116.629 113.215 3.414 17783 10496 1 19 . 1 1 57 57 THR HA H 379 5.145 5.145 4.562 0.583 17783 10497 1 19 . 1 1 57 57 THR C C 379 173.973 173.973 173.718 0.255 17783 10498 1 19 . 1 1 57 57 THR CA C 379 60.517 60.517 60.994 -0.477 17783 10499 1 19 . 1 1 57 57 THR CB C 379 71.582 71.582 71.110 0.472 17783 10500 1 19 . 1 1 57 57 THR H H 379 8.677 8.677 8.338 0.339 17783 10501 1 19 . 1 1 58 58 ARG N N 380 124.546 124.546 125.187 -0.641 17783 10502 1 19 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.497 -0.189 17783 10503 1 19 . 1 1 58 58 ARG C C 380 176.074 176.074 174.896 1.178 17783 10504 1 19 . 1 1 58 58 ARG CA C 380 55.510 55.510 57.061 -1.551 17783 10505 1 19 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.448 1.025 17783 10506 1 19 . 1 1 58 58 ARG H H 380 9.117 9.117 8.636 0.481 17783 10507 1 19 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.515 -0.209 17783 10508 1 19 . 1 1 59 59 ASN C C 381 175.444 175.444 175.647 -0.203 17783 10509 1 19 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.305 0.932 17783 10510 1 19 . 1 1 59 59 ASN CB C 381 37.213 37.213 38.502 -1.288 17783 10511 1 19 . 1 1 60 60 GLY N N 382 103.015 103.015 108.322 -5.307 17783 10512 1 19 . 1 1 60 60 GLY C C 382 173.488 173.488 173.396 0.092 17783 10513 1 19 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.220 -0.747 17783 10514 1 19 . 1 1 60 60 GLY H H 382 8.639 8.639 8.675 -0.036 17783 10515 1 19 . 1 1 61 61 GLN N N 383 119.903 119.903 118.208 1.695 17783 10516 1 19 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.577 0.423 17783 10517 1 19 . 1 1 61 61 GLN C C 383 172.730 172.730 173.507 -0.777 17783 10518 1 19 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.300 0.391 17783 10519 1 19 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.639 0.072 17783 10520 1 19 . 1 1 61 61 GLN H H 383 7.697 7.697 7.710 -0.013 17783 10521 1 19 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.358 0.256 17783 10522 1 19 . 1 1 62 62 PRO C C 384 175.576 175.576 175.361 0.215 17783 10523 1 19 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.784 1.218 17783 10524 1 19 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.920 0.625 17783 10525 1 19 . 1 1 63 63 TRP N N 385 126.621 126.621 124.176 2.445 17783 10526 1 19 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.789 -0.278 17783 10527 1 19 . 1 1 63 63 TRP C C 385 172.096 172.096 173.538 -1.442 17783 10528 1 19 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.631 0.451 17783 10529 1 19 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.072 1.102 17783 10530 1 19 . 1 1 63 63 TRP H H 385 8.063 8.063 7.824 0.239 17783 10531 1 19 . 1 1 64 64 TYR N N 386 124.129 124.129 124.228 -0.099 17783 10532 1 19 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.246 0.972 17783 10533 1 19 . 1 1 64 64 TYR C C 386 173.544 173.544 173.871 -0.327 17783 10534 1 19 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.306 0.463 17783 10535 1 19 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.648 3.785 17783 10536 1 19 . 1 1 64 64 TYR H H 386 7.954 7.954 8.087 -0.133 17783 10537 1 19 . 1 1 65 65 VAL N N 387 121.167 121.167 122.013 -0.846 17783 10538 1 19 . 1 1 65 65 VAL HA H 387 3.863 3.863 3.959 -0.096 17783 10539 1 19 . 1 1 65 65 VAL C C 387 172.675 172.675 174.689 -2.014 17783 10540 1 19 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.497 0.760 17783 10541 1 19 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.595 0.538 17783 10542 1 19 . 1 1 65 65 VAL H H 387 8.409 8.409 6.962 1.447 17783 10543 1 19 . 1 1 66 66 LEU N N 388 127.479 127.479 125.749 1.730 17783 10544 1 19 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.871 0.552 17783 10545 1 19 . 1 1 66 66 LEU CA C 388 53.496 53.496 52.590 0.906 17783 10546 1 19 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.691 1.064 17783 10547 1 19 . 1 1 66 66 LEU H H 388 8.200 8.200 8.419 -0.219 17783 10548 1 19 . 1 1 67 67 VAL N N 389 120.778 120.778 114.271 6.507 17783 10549 1 19 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.510 1.330 17783 10550 1 19 . 1 1 67 67 VAL C C 389 174.934 174.934 174.830 0.104 17783 10551 1 19 . 1 1 67 67 VAL CA C 389 57.827 57.827 61.135 -3.308 17783 10552 1 19 . 1 1 67 67 VAL CB C 389 33.693 33.693 35.016 -1.323 17783 10553 1 19 . 1 1 67 67 VAL H H 389 9.314 9.314 8.214 1.100 17783 10554 1 19 . 1 1 68 68 SER N N 390 113.588 113.588 121.485 -7.897 17783 10555 1 19 . 1 1 68 68 SER HA H 390 4.850 4.850 4.867 -0.017 17783 10556 1 19 . 1 1 68 68 SER C C 390 174.691 174.691 175.352 -0.661 17783 10557 1 19 . 1 1 68 68 SER CA C 390 58.213 58.213 56.541 1.672 17783 10558 1 19 . 1 1 68 68 SER CB C 390 66.007 66.007 62.413 3.594 17783 10559 1 19 . 1 1 68 68 SER H H 390 8.803 8.803 8.575 0.228 17783 10560 1 19 . 1 1 69 69 GLY N N 391 115.161 115.161 116.298 -1.137 17783 10561 1 19 . 1 1 69 69 GLY C C 391 172.208 172.208 173.013 -0.805 17783 10562 1 19 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.152 -0.827 17783 10563 1 19 . 1 1 69 69 GLY H H 391 8.436 8.436 7.824 0.612 17783 10564 1 19 . 1 1 70 70 VAL N N 392 117.033 117.033 121.781 -4.748 17783 10565 1 19 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.056 0.424 17783 10566 1 19 . 1 1 70 70 VAL C C 392 174.635 174.635 174.636 -0.001 17783 10567 1 19 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.291 0.912 17783 10568 1 19 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.813 0.424 17783 10569 1 19 . 1 1 70 70 VAL H H 392 7.188 7.188 7.693 -0.505 17783 10570 1 19 . 1 1 71 71 TYR N N 393 124.867 124.867 125.593 -0.726 17783 10571 1 19 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.710 0.091 17783 10572 1 19 . 1 1 71 71 TYR C C 393 175.550 175.550 177.190 -1.640 17783 10573 1 19 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.745 -1.460 17783 10574 1 19 . 1 1 71 71 TYR CB C 393 42.543 42.543 38.881 3.662 17783 10575 1 19 . 1 1 71 71 TYR H H 393 9.517 9.517 8.136 1.381 17783 10576 1 19 . 1 1 72 72 ALA N N 394 124.217 124.217 126.607 -2.390 17783 10577 1 19 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.733 -0.962 17783 10578 1 19 . 1 1 72 72 ALA C C 394 175.911 175.911 177.610 -1.699 17783 10579 1 19 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.725 -1.468 17783 10580 1 19 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.638 0.383 17783 10581 1 19 . 1 1 72 72 ALA H H 394 8.984 8.984 8.735 0.249 17783 10582 1 19 . 1 1 73 73 SER N N 395 106.325 106.325 109.764 -3.439 17783 10583 1 19 . 1 1 73 73 SER HA H 395 4.769 4.769 4.661 0.108 17783 10584 1 19 . 1 1 73 73 SER C C 395 173.686 173.686 174.771 -1.085 17783 10585 1 19 . 1 1 73 73 SER CA C 395 56.031 56.031 57.097 -1.066 17783 10586 1 19 . 1 1 73 73 SER CB C 395 66.773 66.773 64.704 2.069 17783 10587 1 19 . 1 1 73 73 SER H H 395 7.251 7.251 7.616 -0.365 17783 10588 1 19 . 1 1 74 74 LYS N N 396 123.531 123.531 121.242 2.289 17783 10589 1 19 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.846 -0.952 17783 10590 1 19 . 1 1 74 74 LYS C C 396 178.040 178.040 177.766 0.274 17783 10591 1 19 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.672 1.871 17783 10592 1 19 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.877 -0.241 17783 10593 1 19 . 1 1 74 74 LYS H H 396 8.742 8.742 8.482 0.260 17783 10594 1 19 . 1 1 75 75 GLU N N 397 118.740 118.740 120.414 -1.674 17783 10595 1 19 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.947 -0.133 17783 10596 1 19 . 1 1 75 75 GLU C C 397 179.136 179.136 177.788 1.348 17783 10597 1 19 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.458 0.619 17783 10598 1 19 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.413 -0.665 17783 10599 1 19 . 1 1 75 75 GLU H H 397 8.529 8.529 7.736 0.793 17783 10600 1 19 . 1 1 76 76 GLU N N 398 119.987 119.987 120.274 -0.287 17783 10601 1 19 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.000 -0.165 17783 10602 1 19 . 1 1 76 76 GLU C C 398 178.564 178.564 178.109 0.455 17783 10603 1 19 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.448 0.914 17783 10604 1 19 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.423 1.008 17783 10605 1 19 . 1 1 76 76 GLU H H 398 7.804 7.804 8.550 -0.746 17783 10606 1 19 . 1 1 77 77 ALA N N 399 122.630 122.630 122.036 0.594 17783 10607 1 19 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.375 -0.787 17783 10608 1 19 . 1 1 77 77 ALA C C 399 177.764 177.764 179.045 -1.281 17783 10609 1 19 . 1 1 77 77 ALA CA C 399 54.361 54.361 55.114 -0.753 17783 10610 1 19 . 1 1 77 77 ALA CB C 399 17.665 17.665 17.974 -0.309 17783 10611 1 19 . 1 1 77 77 ALA H H 399 7.294 7.294 7.498 -0.204 17783 10612 1 19 . 1 1 78 78 LYS N N 400 115.403 115.403 116.312 -0.909 17783 10613 1 19 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.830 -0.060 17783 10614 1 19 . 1 1 78 78 LYS C C 400 180.700 180.700 178.721 1.979 17783 10615 1 19 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.837 0.704 17783 10616 1 19 . 1 1 78 78 LYS CB C 400 31.833 31.833 31.854 -0.021 17783 10617 1 19 . 1 1 78 78 LYS H H 400 8.001 8.001 7.532 0.469 17783 10618 1 19 . 1 1 79 79 LYS N N 401 119.756 119.756 119.425 0.331 17783 10619 1 19 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.077 -0.108 17783 10620 1 19 . 1 1 79 79 LYS C C 401 178.347 178.347 178.445 -0.098 17783 10621 1 19 . 1 1 79 79 LYS CA C 401 58.976 58.976 57.790 1.186 17783 10622 1 19 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.250 0.048 17783 10623 1 19 . 1 1 79 79 LYS H H 401 7.788 7.788 7.144 0.644 17783 10624 1 19 . 1 1 80 80 ALA N N 402 120.725 120.725 122.070 -1.345 17783 10625 1 19 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.054 0.089 17783 10626 1 19 . 1 1 80 80 ALA C C 402 180.118 180.118 179.450 0.668 17783 10627 1 19 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.683 -0.911 17783 10628 1 19 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.593 0.876 17783 10629 1 19 . 1 1 80 80 ALA H H 402 7.334 7.334 7.923 -0.589 17783 10630 1 19 . 1 1 81 81 VAL N N 403 120.431 120.431 117.042 3.389 17783 10631 1 19 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.582 -0.220 17783 10632 1 19 . 1 1 81 81 VAL C C 403 177.205 177.205 176.961 0.244 17783 10633 1 19 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.850 0.878 17783 10634 1 19 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.499 0.234 17783 10635 1 19 . 1 1 81 81 VAL H H 403 7.480 7.480 7.330 0.150 17783 10636 1 19 . 1 1 82 82 SER N N 404 110.126 110.126 113.011 -2.885 17783 10637 1 19 . 1 1 82 82 SER HA H 404 4.143 4.143 4.178 -0.035 17783 10638 1 19 . 1 1 82 82 SER C C 404 174.813 174.813 175.899 -1.086 17783 10639 1 19 . 1 1 82 82 SER CA C 404 60.751 60.751 60.726 0.025 17783 10640 1 19 . 1 1 82 82 SER CB C 404 63.287 63.287 63.441 -0.154 17783 10641 1 19 . 1 1 82 82 SER H H 404 7.326 7.326 7.961 -0.635 17783 10642 1 19 . 1 1 83 83 THR N N 405 110.438 110.438 113.729 -3.291 17783 10643 1 19 . 1 1 83 83 THR HA H 405 4.461 4.461 4.095 0.366 17783 10644 1 19 . 1 1 83 83 THR C C 405 175.081 175.081 175.734 -0.653 17783 10645 1 19 . 1 1 83 83 THR CA C 405 61.761 61.761 64.129 -2.369 17783 10646 1 19 . 1 1 83 83 THR CB C 405 69.795 69.795 69.085 0.710 17783 10647 1 19 . 1 1 83 83 THR H H 405 7.634 7.634 7.559 0.075 17783 10648 1 19 . 1 1 84 84 LEU N N 406 123.244 123.244 122.190 1.054 17783 10649 1 19 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.171 0.469 17783 10650 1 19 . 1 1 84 84 LEU C C 406 174.599 174.599 175.993 -1.394 17783 10651 1 19 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.404 -1.109 17783 10652 1 19 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.049 -0.340 17783 10653 1 19 . 1 1 84 84 LEU H H 406 7.478 7.478 7.468 0.010 17783 10654 1 19 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.503 -0.010 17783 10655 1 19 . 1 1 85 85 PRO C C 407 177.743 177.743 177.326 0.417 17783 10656 1 19 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.306 0.838 17783 10657 1 19 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.460 0.461 17783 10658 1 19 . 1 1 86 86 ALA N N 408 128.809 128.809 121.030 7.779 17783 10659 1 19 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.011 -0.065 17783 10660 1 19 . 1 1 86 86 ALA C C 408 180.517 180.517 179.463 1.054 17783 10661 1 19 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.420 1.085 17783 10662 1 19 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.808 -0.463 17783 10663 1 19 . 1 1 86 86 ALA H H 408 9.168 9.168 8.603 0.565 17783 10664 1 19 . 1 1 87 87 ASP N N 409 116.520 116.520 120.185 -3.665 17783 10665 1 19 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.355 0.107 17783 10666 1 19 . 1 1 87 87 ASP C C 409 178.081 178.081 178.377 -0.296 17783 10667 1 19 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.856 -0.921 17783 10668 1 19 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.242 0.117 17783 10669 1 19 . 1 1 87 87 ASP H H 409 9.359 9.359 8.647 0.712 17783 10670 1 19 . 1 1 88 88 VAL N N 410 117.452 117.452 119.574 -2.122 17783 10671 1 19 . 1 1 88 88 VAL HA H 410 4.089 4.089 3.863 0.226 17783 10672 1 19 . 1 1 88 88 VAL C C 410 178.675 178.675 179.109 -0.434 17783 10673 1 19 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.668 -0.793 17783 10674 1 19 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.900 -0.615 17783 10675 1 19 . 1 1 88 88 VAL H H 410 7.355 7.355 8.194 -0.839 17783 10676 1 19 . 1 1 89 89 GLN N N 411 119.387 119.387 119.992 -0.605 17783 10677 1 19 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.918 -0.274 17783 10678 1 19 . 1 1 89 89 GLN C C 411 179.168 179.168 178.205 0.963 17783 10679 1 19 . 1 1 89 89 GLN CA C 411 60.712 60.712 59.087 1.625 17783 10680 1 19 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.736 -0.226 17783 10681 1 19 . 1 1 89 89 GLN H H 411 8.271 8.271 8.062 0.209 17783 10682 1 19 . 1 1 90 90 ALA N N 412 118.634 118.634 121.278 -2.644 17783 10683 1 19 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.156 0.109 17783 10684 1 19 . 1 1 90 90 ALA C C 412 177.949 177.949 178.640 -0.691 17783 10685 1 19 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.386 -0.445 17783 10686 1 19 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.375 -0.048 17783 10687 1 19 . 1 1 90 90 ALA H H 412 7.794 7.794 8.560 -0.766 17783 10688 1 19 . 1 1 91 91 LYS N N 413 115.842 115.842 117.525 -1.683 17783 10689 1 19 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.222 0.110 17783 10690 1 19 . 1 1 91 91 LYS C C 413 175.829 175.829 176.480 -0.651 17783 10691 1 19 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.363 0.007 17783 10692 1 19 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.158 -0.674 17783 10693 1 19 . 1 1 91 91 LYS H H 413 7.398 7.398 7.492 -0.094 17783 10694 1 19 . 1 1 92 92 ASN N N 414 113.776 113.776 116.913 -3.137 17783 10695 1 19 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.501 0.035 17783 10696 1 19 . 1 1 92 92 ASN C C 414 171.075 171.075 173.021 -1.946 17783 10697 1 19 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.733 0.330 17783 10698 1 19 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.730 0.351 17783 10699 1 19 . 1 1 92 92 ASN H H 414 8.178 8.178 8.222 -0.044 17783 10700 1 19 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.462 0.540 17783 10701 1 19 . 1 1 93 93 PRO C C 415 175.682 175.682 176.650 -0.968 17783 10702 1 19 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.529 -0.039 17783 10703 1 19 . 1 1 93 93 PRO CB C 415 33.585 33.585 31.723 1.862 17783 10704 1 19 . 1 1 94 94 TRP N N 416 117.925 117.925 124.896 -6.971 17783 10705 1 19 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.691 0.326 17783 10706 1 19 . 1 1 94 94 TRP C C 416 173.607 173.607 174.864 -1.257 17783 10707 1 19 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.454 -0.459 17783 10708 1 19 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.312 2.195 17783 10709 1 19 . 1 1 94 94 TRP H H 416 7.921 7.921 8.100 -0.179 17783 10710 1 19 . 1 1 95 95 ALA N N 417 123.924 123.924 127.357 -3.433 17783 10711 1 19 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.175 0.580 17783 10712 1 19 . 1 1 95 95 ALA C C 417 174.171 174.171 176.268 -2.097 17783 10713 1 19 . 1 1 95 95 ALA CA C 417 51.637 51.637 51.919 -0.282 17783 10714 1 19 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.958 0.510 17783 10715 1 19 . 1 1 95 95 ALA H H 417 8.878 8.878 8.301 0.577 17783 10716 1 19 . 1 1 96 96 LYS N N 418 129.441 129.441 126.739 2.702 17783 10717 1 19 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.080 0.941 17783 10718 1 19 . 1 1 96 96 LYS C C 418 173.451 173.451 173.762 -0.311 17783 10719 1 19 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.316 0.248 17783 10720 1 19 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.497 4.486 17783 10721 1 19 . 1 1 96 96 LYS H H 418 9.235 9.235 7.960 1.275 17783 10722 1 19 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.028 -0.264 17783 10723 1 19 . 1 1 97 97 PRO C C 419 178.893 178.893 178.107 0.786 17783 10724 1 19 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.965 -0.070 17783 10725 1 19 . 1 1 97 97 PRO CB C 419 32.720 32.720 31.974 0.746 17783 10726 1 19 . 1 1 98 98 LEU N N 420 126.746 126.746 123.799 2.947 17783 10727 1 19 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.919 -0.116 17783 10728 1 19 . 1 1 98 98 LEU C C 420 179.040 179.040 178.288 0.752 17783 10729 1 19 . 1 1 98 98 LEU CA C 420 57.368 57.368 57.589 -0.221 17783 10730 1 19 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.401 -1.460 17783 10731 1 19 . 1 1 98 98 LEU H H 420 9.179 9.179 8.484 0.695 17783 10732 1 19 . 1 1 99 99 ARG N N 421 118.262 118.262 119.217 -0.955 17783 10733 1 19 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.850 0.209 17783 10734 1 19 . 1 1 99 99 ARG C C 421 178.140 178.140 176.973 1.167 17783 10735 1 19 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.518 0.575 17783 10736 1 19 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.663 0.293 17783 10737 1 19 . 1 1 99 99 ARG H H 421 8.014 8.014 8.238 -0.224 17783 10738 1 19 . 1 1 100 100 GLN N N 422 116.539 116.539 115.439 1.100 17783 10739 1 19 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.386 -0.176 17783 10740 1 19 . 1 1 100 100 GLN C C 422 177.594 177.594 177.847 -0.253 17783 10741 1 19 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.310 0.423 17783 10742 1 19 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.841 -0.663 17783 10743 1 19 . 1 1 100 100 GLN H H 422 7.258 7.258 7.743 -0.485 17783 10744 1 19 . 1 1 101 101 VAL N N 423 119.665 119.665 121.017 -1.352 17783 10745 1 19 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.639 -0.091 17783 10746 1 19 . 1 1 101 101 VAL C C 423 177.040 177.040 178.068 -1.028 17783 10747 1 19 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.825 -0.378 17783 10748 1 19 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.023 1.530 17783 10749 1 19 . 1 1 101 101 VAL H H 423 7.090 7.090 8.330 -1.240 17783 10750 1 19 . 1 1 102 102 GLN N N 424 115.032 115.032 118.910 -3.878 17783 10751 1 19 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.939 -0.374 17783 10752 1 19 . 1 1 102 102 GLN C C 424 177.994 177.994 177.368 0.626 17783 10753 1 19 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.230 0.653 17783 10754 1 19 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.469 -0.409 17783 10755 1 19 . 1 1 102 102 GLN H H 424 8.553 8.553 8.379 0.174 17783 10756 1 19 . 1 1 103 103 ALA N N 425 120.742 120.742 121.465 -0.723 17783 10757 1 19 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.130 0.028 17783 10758 1 19 . 1 1 103 103 ALA C C 425 178.545 178.545 178.502 0.043 17783 10759 1 19 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.008 0.267 17783 10760 1 19 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.334 -0.012 17783 10761 1 19 . 1 1 103 103 ALA H H 425 7.366 7.366 8.028 -0.662 17783 10762 1 19 . 1 1 104 104 ASP N N 426 117.066 117.066 118.815 -1.749 17783 10763 1 19 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.645 0.063 17783 10764 1 19 . 1 1 104 104 ASP C C 426 176.876 176.876 177.558 -0.682 17783 10765 1 19 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.730 -0.507 17783 10766 1 19 . 1 1 104 104 ASP CB C 426 42.500 42.500 42.145 0.355 17783 10767 1 19 . 1 1 104 104 ASP H H 426 7.628 7.628 8.168 -0.540 17783 10768 1 19 . 1 1 105 105 LEU N N 427 119.853 119.853 117.736 2.117 17783 10769 1 19 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.585 -0.286 17783 10770 1 19 . 1 1 105 105 LEU C C 427 176.118 176.118 176.976 -0.858 17783 10771 1 19 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.445 0.541 17783 10772 1 19 . 1 1 105 105 LEU CB C 427 42.078 42.078 41.035 1.043 17783 10773 1 19 . 1 1 105 105 LEU H H 427 7.242 7.242 8.048 -0.806 17783 10774 1 20 . 1 1 2 2 ARG N N 324 121.883 121.883 119.522 2.361 17783 10775 1 20 . 1 1 2 2 ARG HA H 324 4.344 4.344 3.981 0.363 17783 10776 1 20 . 1 1 2 2 ARG C C 324 176.887 176.887 177.000 -0.113 17783 10777 1 20 . 1 1 2 2 ARG CA C 324 56.505 56.505 57.764 -1.259 17783 10778 1 20 . 1 1 2 2 ARG CB C 324 30.734 30.734 29.102 1.632 17783 10779 1 20 . 1 1 2 2 ARG H H 324 8.373 8.373 8.458 -0.085 17783 10780 1 20 . 1 1 3 3 GLY N N 325 111.231 111.231 108.052 3.179 17783 10781 1 20 . 1 1 3 3 GLY C C 325 174.037 174.037 174.422 -0.385 17783 10782 1 20 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.512 -0.284 17783 10783 1 20 . 1 1 3 3 GLY H H 325 8.683 8.683 8.619 0.064 17783 10784 1 20 . 1 1 4 4 SER N N 326 115.541 115.541 113.430 2.111 17783 10785 1 20 . 1 1 4 4 SER HA H 326 4.377 4.377 4.566 -0.189 17783 10786 1 20 . 1 1 4 4 SER C C 326 174.454 174.454 173.252 1.202 17783 10787 1 20 . 1 1 4 4 SER CA C 326 58.315 58.315 57.909 0.406 17783 10788 1 20 . 1 1 4 4 SER CB C 326 63.902 63.902 63.080 0.822 17783 10789 1 20 . 1 1 4 4 SER H H 326 8.237 8.237 7.743 0.494 17783 10790 1 20 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.580 0.000 17783 10791 1 20 . 1 1 10 10 HIS C C 332 175.292 175.292 174.648 0.644 17783 10792 1 20 . 1 1 10 10 HIS CA C 332 55.946 55.946 56.551 -0.605 17783 10793 1 20 . 1 1 10 10 HIS CB C 332 30.123 30.123 30.201 -0.078 17783 10794 1 20 . 1 1 11 11 GLY N N 333 110.527 110.527 110.012 0.515 17783 10795 1 20 . 1 1 11 11 GLY C C 333 174.126 174.126 174.924 -0.798 17783 10796 1 20 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.279 0.049 17783 10797 1 20 . 1 1 11 11 GLY H H 333 8.540 8.540 8.364 0.176 17783 10798 1 20 . 1 1 12 12 SER N N 334 115.752 115.752 118.490 -2.738 17783 10799 1 20 . 1 1 12 12 SER HA H 334 4.436 4.436 4.008 0.428 17783 10800 1 20 . 1 1 12 12 SER C C 334 174.538 174.538 175.574 -1.036 17783 10801 1 20 . 1 1 12 12 SER CA C 334 58.486 58.486 58.212 0.274 17783 10802 1 20 . 1 1 12 12 SER CB C 334 63.927 63.927 63.423 0.504 17783 10803 1 20 . 1 1 12 12 SER H H 334 8.356 8.356 8.202 0.154 17783 10804 1 20 . 1 1 13 13 ASN N N 335 120.410 120.410 117.574 2.836 17783 10805 1 20 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.153 0.576 17783 10806 1 20 . 1 1 13 13 ASN C C 335 175.116 175.116 175.269 -0.153 17783 10807 1 20 . 1 1 13 13 ASN CA C 335 53.386 53.386 54.677 -1.291 17783 10808 1 20 . 1 1 13 13 ASN CB C 335 38.668 38.668 37.698 0.970 17783 10809 1 20 . 1 1 13 13 ASN H H 335 8.575 8.575 8.057 0.518 17783 10810 1 20 . 1 1 14 14 ASN N N 336 119.094 119.094 117.878 1.216 17783 10811 1 20 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.408 0.321 17783 10812 1 20 . 1 1 14 14 ASN C C 336 175.395 175.395 173.063 2.332 17783 10813 1 20 . 1 1 14 14 ASN CA C 336 53.385 53.385 54.499 -1.114 17783 10814 1 20 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.820 -0.151 17783 10815 1 20 . 1 1 14 14 ASN H H 336 8.447 8.447 8.395 0.052 17783 10816 1 20 . 1 1 15 15 ASN N N 337 118.915 118.915 116.371 2.544 17783 10817 1 20 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.678 -0.144 17783 10818 1 20 . 1 1 15 15 ASN C C 337 176.390 176.390 174.151 2.239 17783 10819 1 20 . 1 1 15 15 ASN CA C 337 53.991 53.991 52.357 1.634 17783 10820 1 20 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.648 -1.027 17783 10821 1 20 . 1 1 15 15 ASN H H 337 8.446 8.446 8.447 -0.001 17783 10822 1 20 . 1 1 16 16 GLY N N 338 108.851 108.851 105.473 3.378 17783 10823 1 20 . 1 1 16 16 GLY C C 338 175.459 175.459 175.051 0.408 17783 10824 1 20 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.678 1.074 17783 10825 1 20 . 1 1 16 16 GLY H H 338 8.454 8.454 8.484 -0.030 17783 10826 1 20 . 1 1 17 17 SER N N 339 116.218 116.218 114.729 1.489 17783 10827 1 20 . 1 1 17 17 SER HA H 339 4.229 4.229 4.287 -0.058 17783 10828 1 20 . 1 1 17 17 SER C C 339 175.869 175.869 175.163 0.706 17783 10829 1 20 . 1 1 17 17 SER CA C 339 59.759 59.759 59.958 -0.199 17783 10830 1 20 . 1 1 17 17 SER CB C 339 62.973 62.973 63.248 -0.275 17783 10831 1 20 . 1 1 17 17 SER H H 339 8.170 8.170 8.531 -0.361 17783 10832 1 20 . 1 1 18 18 LEU N N 340 121.515 121.515 118.844 2.671 17783 10833 1 20 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.100 -0.098 17783 10834 1 20 . 1 1 18 18 LEU C C 340 178.399 178.399 178.523 -0.124 17783 10835 1 20 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.835 0.316 17783 10836 1 20 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.624 0.452 17783 10837 1 20 . 1 1 18 18 LEU H H 340 7.790 7.790 7.996 -0.206 17783 10838 1 20 . 1 1 19 19 LYS N N 341 117.145 117.145 119.067 -1.922 17783 10839 1 20 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.149 -0.341 17783 10840 1 20 . 1 1 19 19 LYS C C 341 176.960 176.960 178.808 -1.848 17783 10841 1 20 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.887 0.305 17783 10842 1 20 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.485 0.308 17783 10843 1 20 . 1 1 19 19 LYS H H 341 7.893 7.893 7.374 0.519 17783 10844 1 20 . 1 1 20 20 SER N N 342 110.377 110.377 116.410 -6.033 17783 10845 1 20 . 1 1 20 20 SER HA H 342 4.369 4.369 4.277 0.092 17783 10846 1 20 . 1 1 20 20 SER C C 342 173.735 173.735 173.262 0.473 17783 10847 1 20 . 1 1 20 20 SER CA C 342 58.141 58.141 58.931 -0.790 17783 10848 1 20 . 1 1 20 20 SER CB C 342 63.900 63.900 61.626 2.274 17783 10849 1 20 . 1 1 20 20 SER H H 342 7.546 7.546 8.238 -0.692 17783 10850 1 20 . 1 1 21 21 ALA N N 343 125.662 125.662 122.192 3.470 17783 10851 1 20 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.627 -0.265 17783 10852 1 20 . 1 1 21 21 ALA C C 343 174.051 174.051 174.585 -0.534 17783 10853 1 20 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.949 0.623 17783 10854 1 20 . 1 1 21 21 ALA CB C 343 18.134 18.134 19.354 -1.220 17783 10855 1 20 . 1 1 21 21 ALA H H 343 6.852 6.852 7.872 -1.020 17783 10856 1 20 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.445 -0.207 17783 10857 1 20 . 1 1 22 22 PRO C C 344 178.184 178.184 177.140 1.044 17783 10858 1 20 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.611 0.471 17783 10859 1 20 . 1 1 22 22 PRO CB C 344 31.604 31.604 32.016 -0.412 17783 10860 1 20 . 1 1 23 23 SER N N 345 118.662 118.662 122.023 -3.361 17783 10861 1 20 . 1 1 23 23 SER HA H 345 3.825 3.825 4.033 -0.208 17783 10862 1 20 . 1 1 23 23 SER C C 345 174.231 174.231 175.633 -1.402 17783 10863 1 20 . 1 1 23 23 SER CA C 345 60.892 60.892 61.075 -0.183 17783 10864 1 20 . 1 1 23 23 SER CB C 345 63.223 63.223 62.885 0.338 17783 10865 1 20 . 1 1 23 23 SER H H 345 8.566 8.566 8.618 -0.052 17783 10866 1 20 . 1 1 24 24 SER N N 346 111.938 111.938 116.265 -4.327 17783 10867 1 20 . 1 1 24 24 SER HA H 346 4.383 4.383 4.311 0.072 17783 10868 1 20 . 1 1 24 24 SER C C 346 175.152 175.152 174.331 0.821 17783 10869 1 20 . 1 1 24 24 SER CA C 346 58.247 58.247 60.750 -2.503 17783 10870 1 20 . 1 1 24 24 SER CB C 346 63.958 63.958 63.223 0.735 17783 10871 1 20 . 1 1 24 24 SER H H 346 7.675 7.675 8.139 -0.464 17783 10872 1 20 . 1 1 25 25 HIS N N 347 122.882 122.882 118.678 4.204 17783 10873 1 20 . 1 1 25 25 HIS HA H 347 4.850 4.850 5.071 -0.221 17783 10874 1 20 . 1 1 25 25 HIS C C 347 173.574 173.574 174.822 -1.248 17783 10875 1 20 . 1 1 25 25 HIS CA C 347 56.075 56.075 54.699 1.376 17783 10876 1 20 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.761 1.087 17783 10877 1 20 . 1 1 25 25 HIS H H 347 7.628 7.628 7.178 0.450 17783 10878 1 20 . 1 1 26 26 TYR N N 348 117.921 117.921 123.501 -5.580 17783 10879 1 20 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.687 0.302 17783 10880 1 20 . 1 1 26 26 TYR C C 348 174.086 174.086 175.151 -1.065 17783 10881 1 20 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.400 0.787 17783 10882 1 20 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.658 2.176 17783 10883 1 20 . 1 1 26 26 TYR H H 348 9.606 9.606 8.465 1.141 17783 10884 1 20 . 1 1 27 27 THR N N 349 115.914 115.914 113.610 2.304 17783 10885 1 20 . 1 1 27 27 THR HA H 349 5.027 5.027 4.664 0.363 17783 10886 1 20 . 1 1 27 27 THR C C 349 172.904 172.904 173.605 -0.701 17783 10887 1 20 . 1 1 27 27 THR CA C 349 58.835 58.835 61.206 -2.370 17783 10888 1 20 . 1 1 27 27 THR CB C 349 70.587 70.587 68.866 1.721 17783 10889 1 20 . 1 1 27 27 THR H H 349 8.974 8.974 8.006 0.968 17783 10890 1 20 . 1 1 28 28 LEU N N 350 123.392 123.392 123.639 -0.247 17783 10891 1 20 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.057 0.932 17783 10892 1 20 . 1 1 28 28 LEU C C 350 176.111 176.111 176.885 -0.774 17783 10893 1 20 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.025 -1.927 17783 10894 1 20 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.467 2.403 17783 10895 1 20 . 1 1 28 28 LEU H H 350 8.249 8.249 8.262 -0.013 17783 10896 1 20 . 1 1 29 29 GLN N N 351 122.797 122.797 117.097 5.700 17783 10897 1 20 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.839 -0.286 17783 10898 1 20 . 1 1 29 29 GLN C C 351 175.435 175.435 176.010 -0.575 17783 10899 1 20 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.627 1.316 17783 10900 1 20 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.658 -3.427 17783 10901 1 20 . 1 1 29 29 GLN H H 351 8.915 8.915 8.280 0.635 17783 10902 1 20 . 1 1 30 30 LEU N N 352 125.239 125.239 126.828 -1.589 17783 10903 1 20 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.571 -0.204 17783 10904 1 20 . 1 1 30 30 LEU C C 352 177.250 177.250 175.648 1.602 17783 10905 1 20 . 1 1 30 30 LEU CA C 352 56.101 56.101 54.761 1.340 17783 10906 1 20 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.889 0.211 17783 10907 1 20 . 1 1 30 30 LEU H H 352 8.920 8.920 8.410 0.510 17783 10908 1 20 . 1 1 31 31 SER N N 353 106.816 106.816 109.227 -2.411 17783 10909 1 20 . 1 1 31 31 SER HA H 353 4.493 4.493 4.464 0.029 17783 10910 1 20 . 1 1 31 31 SER C C 353 171.831 171.831 172.286 -0.455 17783 10911 1 20 . 1 1 31 31 SER CA C 353 57.160 57.160 57.797 -0.637 17783 10912 1 20 . 1 1 31 31 SER CB C 353 64.360 64.360 64.031 0.329 17783 10913 1 20 . 1 1 31 31 SER H H 353 7.548 7.548 7.774 -0.226 17783 10914 1 20 . 1 1 32 32 SER N N 354 113.518 113.518 116.057 -2.539 17783 10915 1 20 . 1 1 32 32 SER HA H 354 5.026 5.026 4.490 0.536 17783 10916 1 20 . 1 1 32 32 SER C C 354 172.512 172.512 172.309 0.203 17783 10917 1 20 . 1 1 32 32 SER CA C 354 57.285 57.285 57.053 0.232 17783 10918 1 20 . 1 1 32 32 SER CB C 354 65.347 65.347 65.209 0.138 17783 10919 1 20 . 1 1 32 32 SER H H 354 8.127 8.127 7.982 0.145 17783 10920 1 20 . 1 1 33 33 SER N N 355 114.624 114.624 117.252 -2.628 17783 10921 1 20 . 1 1 33 33 SER HA H 355 4.106 4.106 4.222 -0.116 17783 10922 1 20 . 1 1 33 33 SER C C 355 171.639 171.639 171.949 -0.310 17783 10923 1 20 . 1 1 33 33 SER CA C 355 57.276 57.276 57.978 -0.702 17783 10924 1 20 . 1 1 33 33 SER CB C 355 64.539 64.539 64.084 0.455 17783 10925 1 20 . 1 1 33 33 SER H H 355 8.616 8.616 6.703 1.913 17783 10926 1 20 . 1 1 34 34 SER N N 356 116.467 116.467 115.791 0.676 17783 10927 1 20 . 1 1 34 34 SER HA H 356 4.241 4.241 4.968 -0.727 17783 10928 1 20 . 1 1 34 34 SER C C 356 173.820 173.820 172.957 0.863 17783 10929 1 20 . 1 1 34 34 SER CA C 356 59.074 59.074 58.382 0.692 17783 10930 1 20 . 1 1 34 34 SER CB C 356 63.741 63.741 63.494 0.247 17783 10931 1 20 . 1 1 34 34 SER H H 356 8.132 8.132 8.339 -0.207 17783 10932 1 20 . 1 1 35 35 ASN N N 357 122.206 122.206 120.302 1.904 17783 10933 1 20 . 1 1 35 35 ASN HA H 357 4.921 4.921 4.974 -0.053 17783 10934 1 20 . 1 1 35 35 ASN C C 357 172.965 172.965 174.277 -1.312 17783 10935 1 20 . 1 1 35 35 ASN CA C 357 52.447 52.447 52.971 -0.524 17783 10936 1 20 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.634 0.291 17783 10937 1 20 . 1 1 35 35 ASN H H 357 8.511 8.511 8.442 0.069 17783 10938 1 20 . 1 1 36 36 TYR N N 358 127.519 127.519 125.830 1.689 17783 10939 1 20 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.876 -0.904 17783 10940 1 20 . 1 1 36 36 TYR C C 358 176.522 176.522 176.360 0.162 17783 10941 1 20 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.721 0.248 17783 10942 1 20 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.784 -1.073 17783 10943 1 20 . 1 1 36 36 TYR H H 358 8.002 8.002 8.594 -0.592 17783 10944 1 20 . 1 1 37 37 ASP N N 359 118.658 118.658 119.256 -0.598 17783 10945 1 20 . 1 1 37 37 ASP HA H 359 4.144 4.144 3.946 0.198 17783 10946 1 20 . 1 1 37 37 ASP C C 359 179.804 179.804 178.010 1.794 17783 10947 1 20 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.639 -0.136 17783 10948 1 20 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.366 -0.188 17783 10949 1 20 . 1 1 37 37 ASP H H 359 8.033 8.033 8.690 -0.657 17783 10950 1 20 . 1 1 38 38 ASN N N 360 119.802 119.802 116.408 3.394 17783 10951 1 20 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.426 -0.123 17783 10952 1 20 . 1 1 38 38 ASN C C 360 177.720 177.720 176.952 0.768 17783 10953 1 20 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.260 0.190 17783 10954 1 20 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.109 -0.346 17783 10955 1 20 . 1 1 38 38 ASN H H 360 8.380 8.380 8.661 -0.281 17783 10956 1 20 . 1 1 39 39 LEU N N 361 121.625 121.625 120.358 1.267 17783 10957 1 20 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.192 -0.095 17783 10958 1 20 . 1 1 39 39 LEU C C 361 177.738 177.738 177.912 -0.174 17783 10959 1 20 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.791 -0.226 17783 10960 1 20 . 1 1 39 39 LEU CB C 361 42.728 42.728 42.224 0.504 17783 10961 1 20 . 1 1 39 39 LEU H H 361 7.243 7.243 7.821 -0.578 17783 10962 1 20 . 1 1 40 40 ASN N N 362 116.601 116.601 117.535 -0.934 17783 10963 1 20 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.251 -0.106 17783 10964 1 20 . 1 1 40 40 ASN C C 362 177.253 177.253 178.015 -0.762 17783 10965 1 20 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.498 0.029 17783 10966 1 20 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.085 1.241 17783 10967 1 20 . 1 1 40 40 ASN H H 362 8.284 8.284 7.842 0.442 17783 10968 1 20 . 1 1 41 41 GLY N N 363 104.958 104.958 105.272 -0.314 17783 10969 1 20 . 1 1 41 41 GLY C C 363 176.323 176.323 174.494 1.829 17783 10970 1 20 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.110 0.729 17783 10971 1 20 . 1 1 41 41 GLY H H 363 8.334 8.334 7.933 0.401 17783 10972 1 20 . 1 1 42 42 TRP N N 364 125.066 125.066 123.050 2.016 17783 10973 1 20 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.577 -0.351 17783 10974 1 20 . 1 1 42 42 TRP C C 364 176.509 176.509 177.732 -1.223 17783 10975 1 20 . 1 1 42 42 TRP CA C 364 61.489 61.489 59.406 2.083 17783 10976 1 20 . 1 1 42 42 TRP CB C 364 27.876 27.876 30.556 -2.680 17783 10977 1 20 . 1 1 42 42 TRP H H 364 7.833 7.833 7.846 -0.013 17783 10978 1 20 . 1 1 43 43 ALA N N 365 120.030 120.030 124.045 -4.015 17783 10979 1 20 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.355 -0.361 17783 10980 1 20 . 1 1 43 43 ALA C C 365 179.186 179.186 178.825 0.361 17783 10981 1 20 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.289 -0.288 17783 10982 1 20 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.113 -1.026 17783 10983 1 20 . 1 1 43 43 ALA H H 365 7.701 7.701 8.999 -1.298 17783 10984 1 20 . 1 1 44 44 LYS N N 366 115.064 115.064 114.147 0.917 17783 10985 1 20 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.069 -0.036 17783 10986 1 20 . 1 1 44 44 LYS C C 366 180.830 180.830 177.559 3.271 17783 10987 1 20 . 1 1 44 44 LYS CA C 366 58.991 58.991 57.848 1.143 17783 10988 1 20 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.259 0.091 17783 10989 1 20 . 1 1 44 44 LYS H H 366 7.562 7.562 7.652 -0.090 17783 10990 1 20 . 1 1 45 45 LYS N N 367 123.180 123.180 119.652 3.528 17783 10991 1 20 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.174 -0.267 17783 10992 1 20 . 1 1 45 45 LYS C C 367 178.319 178.319 177.655 0.664 17783 10993 1 20 . 1 1 45 45 LYS CA C 367 59.044 59.044 57.954 1.090 17783 10994 1 20 . 1 1 45 45 LYS CB C 367 32.066 32.066 33.176 -1.110 17783 10995 1 20 . 1 1 45 45 LYS H H 367 8.067 8.067 7.771 0.296 17783 10996 1 20 . 1 1 46 46 GLU N N 368 114.882 114.882 116.461 -1.579 17783 10997 1 20 . 1 1 46 46 GLU HA H 368 3.917 3.917 3.976 -0.059 17783 10998 1 20 . 1 1 46 46 GLU C C 368 174.639 174.639 176.067 -1.428 17783 10999 1 20 . 1 1 46 46 GLU CA C 368 55.016 55.016 57.463 -2.447 17783 11000 1 20 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.078 -1.401 17783 11001 1 20 . 1 1 46 46 GLU H H 368 7.488 7.488 7.497 -0.009 17783 11002 1 20 . 1 1 47 47 ASN N N 369 114.944 114.944 113.623 1.321 17783 11003 1 20 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.207 0.065 17783 11004 1 20 . 1 1 47 47 ASN C C 369 174.759 174.759 174.515 0.244 17783 11005 1 20 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.678 0.026 17783 11006 1 20 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.057 1.002 17783 11007 1 20 . 1 1 47 47 ASN H H 369 7.772 7.772 7.659 0.113 17783 11008 1 20 . 1 1 48 48 LEU N N 370 116.008 116.008 118.946 -2.938 17783 11009 1 20 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.979 0.141 17783 11010 1 20 . 1 1 48 48 LEU C C 370 177.056 177.056 176.533 0.523 17783 11011 1 20 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.430 -0.312 17783 11012 1 20 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.754 1.163 17783 11013 1 20 . 1 1 48 48 LEU H H 370 7.463 7.463 7.195 0.268 17783 11014 1 20 . 1 1 49 49 LYS N N 371 120.012 120.012 125.373 -5.361 17783 11015 1 20 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.550 0.010 17783 11016 1 20 . 1 1 49 49 LYS C C 371 176.481 176.481 176.466 0.015 17783 11017 1 20 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.708 -0.379 17783 11018 1 20 . 1 1 49 49 LYS CB C 371 34.555 34.555 34.201 0.354 17783 11019 1 20 . 1 1 49 49 LYS H H 371 8.518 8.518 8.420 0.098 17783 11020 1 20 . 1 1 50 50 ASN N N 372 117.610 117.610 120.967 -3.357 17783 11021 1 20 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.315 0.199 17783 11022 1 20 . 1 1 50 50 ASN C C 372 173.445 173.445 173.516 -0.071 17783 11023 1 20 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.393 -0.956 17783 11024 1 20 . 1 1 50 50 ASN CB C 372 37.932 37.932 36.951 0.981 17783 11025 1 20 . 1 1 50 50 ASN H H 372 8.734 8.734 8.836 -0.102 17783 11026 1 20 . 1 1 51 51 TYR N N 373 117.151 117.151 114.810 2.341 17783 11027 1 20 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.248 0.147 17783 11028 1 20 . 1 1 51 51 TYR C C 373 173.549 173.549 174.295 -0.746 17783 11029 1 20 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.379 -0.597 17783 11030 1 20 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.578 -0.167 17783 11031 1 20 . 1 1 51 51 TYR H H 373 7.570 7.570 7.441 0.129 17783 11032 1 20 . 1 1 52 52 VAL N N 374 120.887 120.887 122.422 -1.535 17783 11033 1 20 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.349 -0.051 17783 11034 1 20 . 1 1 52 52 VAL C C 374 174.289 174.289 174.608 -0.319 17783 11035 1 20 . 1 1 52 52 VAL CA C 374 61.714 61.714 62.083 -0.369 17783 11036 1 20 . 1 1 52 52 VAL CB C 374 36.584 36.584 33.930 2.654 17783 11037 1 20 . 1 1 52 52 VAL H H 374 9.140 9.140 8.921 0.219 17783 11038 1 20 . 1 1 53 53 VAL N N 375 126.060 126.060 128.175 -2.115 17783 11039 1 20 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.476 0.939 17783 11040 1 20 . 1 1 53 53 VAL C C 375 175.803 175.803 175.561 0.242 17783 11041 1 20 . 1 1 53 53 VAL CA C 375 60.656 60.656 61.177 -0.521 17783 11042 1 20 . 1 1 53 53 VAL CB C 375 32.736 32.736 32.890 -0.154 17783 11043 1 20 . 1 1 53 53 VAL H H 375 8.600 8.600 8.485 0.115 17783 11044 1 20 . 1 1 54 54 TYR N N 376 125.706 125.706 125.823 -0.117 17783 11045 1 20 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.024 0.398 17783 11046 1 20 . 1 1 54 54 TYR C C 376 172.139 172.139 173.396 -1.257 17783 11047 1 20 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.812 -0.683 17783 11048 1 20 . 1 1 54 54 TYR CB C 376 41.657 41.657 39.775 1.882 17783 11049 1 20 . 1 1 54 54 TYR H H 376 9.292 9.292 8.234 1.058 17783 11050 1 20 . 1 1 55 55 GLU N N 377 122.063 122.063 120.207 1.856 17783 11051 1 20 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.262 1.452 17783 11052 1 20 . 1 1 55 55 GLU C C 377 175.011 175.011 175.179 -0.168 17783 11053 1 20 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.724 -0.581 17783 11054 1 20 . 1 1 55 55 GLU CB C 377 32.659 32.659 29.792 2.867 17783 11055 1 20 . 1 1 55 55 GLU H H 377 8.758 8.758 8.563 0.195 17783 11056 1 20 . 1 1 56 56 THR N N 378 122.855 122.855 114.805 8.050 17783 11057 1 20 . 1 1 56 56 THR HA H 378 4.848 4.848 4.527 0.321 17783 11058 1 20 . 1 1 56 56 THR C C 378 173.550 173.550 172.850 0.700 17783 11059 1 20 . 1 1 56 56 THR CA C 378 58.732 58.732 60.055 -1.323 17783 11060 1 20 . 1 1 56 56 THR CB C 378 70.181 70.181 71.108 -0.927 17783 11061 1 20 . 1 1 56 56 THR H H 378 9.160 9.160 7.271 1.889 17783 11062 1 20 . 1 1 57 57 THR N N 379 116.629 116.629 115.689 0.940 17783 11063 1 20 . 1 1 57 57 THR HA H 379 5.145 5.145 4.589 0.556 17783 11064 1 20 . 1 1 57 57 THR C C 379 173.973 173.973 173.371 0.602 17783 11065 1 20 . 1 1 57 57 THR CA C 379 60.517 60.517 62.314 -1.797 17783 11066 1 20 . 1 1 57 57 THR CB C 379 71.582 71.582 70.059 1.523 17783 11067 1 20 . 1 1 57 57 THR H H 379 8.677 8.677 8.407 0.270 17783 11068 1 20 . 1 1 58 58 ARG N N 380 124.546 124.546 126.238 -1.692 17783 11069 1 20 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.625 -0.317 17783 11070 1 20 . 1 1 58 58 ARG C C 380 176.074 176.074 175.158 0.916 17783 11071 1 20 . 1 1 58 58 ARG CA C 380 55.510 55.510 55.406 0.104 17783 11072 1 20 . 1 1 58 58 ARG CB C 380 32.473 32.473 32.854 -0.381 17783 11073 1 20 . 1 1 58 58 ARG H H 380 9.117 9.117 8.144 0.973 17783 11074 1 20 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.523 -0.217 17783 11075 1 20 . 1 1 59 59 ASN C C 381 175.444 175.444 175.286 0.158 17783 11076 1 20 . 1 1 59 59 ASN CA C 381 54.237 54.237 52.916 1.321 17783 11077 1 20 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.090 0.123 17783 11078 1 20 . 1 1 60 60 GLY N N 382 103.015 103.015 103.985 -0.970 17783 11079 1 20 . 1 1 60 60 GLY C C 382 173.488 173.488 173.997 -0.509 17783 11080 1 20 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.902 -0.429 17783 11081 1 20 . 1 1 60 60 GLY H H 382 8.639 8.639 8.718 -0.079 17783 11082 1 20 . 1 1 61 61 GLN N N 383 119.903 119.903 117.773 2.130 17783 11083 1 20 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.598 0.402 17783 11084 1 20 . 1 1 61 61 GLN C C 383 172.730 172.730 173.553 -0.823 17783 11085 1 20 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.362 0.329 17783 11086 1 20 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.636 0.075 17783 11087 1 20 . 1 1 61 61 GLN H H 383 7.697 7.697 7.371 0.326 17783 11088 1 20 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.345 0.269 17783 11089 1 20 . 1 1 62 62 PRO C C 384 175.576 175.576 175.600 -0.024 17783 11090 1 20 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.255 0.747 17783 11091 1 20 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.756 0.788 17783 11092 1 20 . 1 1 63 63 TRP N N 385 126.621 126.621 125.997 0.624 17783 11093 1 20 . 1 1 63 63 TRP HA H 385 4.511 4.511 5.009 -0.498 17783 11094 1 20 . 1 1 63 63 TRP C C 385 172.096 172.096 173.733 -1.637 17783 11095 1 20 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.744 0.338 17783 11096 1 20 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.253 0.921 17783 11097 1 20 . 1 1 63 63 TRP H H 385 8.063 8.063 7.879 0.184 17783 11098 1 20 . 1 1 64 64 TYR N N 386 124.129 124.129 125.225 -1.096 17783 11099 1 20 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.252 0.966 17783 11100 1 20 . 1 1 64 64 TYR C C 386 173.544 173.544 174.286 -0.742 17783 11101 1 20 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.706 0.063 17783 11102 1 20 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.410 3.023 17783 11103 1 20 . 1 1 64 64 TYR H H 386 7.954 7.954 7.799 0.155 17783 11104 1 20 . 1 1 65 65 VAL N N 387 121.167 121.167 122.163 -0.996 17783 11105 1 20 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.145 -0.282 17783 11106 1 20 . 1 1 65 65 VAL C C 387 172.675 172.675 174.164 -1.489 17783 11107 1 20 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.359 0.898 17783 11108 1 20 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.928 0.205 17783 11109 1 20 . 1 1 65 65 VAL H H 387 8.409 8.409 7.335 1.074 17783 11110 1 20 . 1 1 66 66 LEU N N 388 127.479 127.479 125.275 2.204 17783 11111 1 20 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.789 0.634 17783 11112 1 20 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.801 -0.305 17783 11113 1 20 . 1 1 66 66 LEU CB C 388 44.755 44.755 44.774 -0.019 17783 11114 1 20 . 1 1 66 66 LEU H H 388 8.200 8.200 8.748 -0.548 17783 11115 1 20 . 1 1 67 67 VAL N N 389 120.778 120.778 119.201 1.577 17783 11116 1 20 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.472 1.368 17783 11117 1 20 . 1 1 67 67 VAL C C 389 174.934 174.934 174.190 0.744 17783 11118 1 20 . 1 1 67 67 VAL CA C 389 57.827 57.827 61.007 -3.180 17783 11119 1 20 . 1 1 67 67 VAL CB C 389 33.693 33.693 35.899 -2.206 17783 11120 1 20 . 1 1 67 67 VAL H H 389 9.314 9.314 8.474 0.840 17783 11121 1 20 . 1 1 68 68 SER N N 390 113.588 113.588 122.842 -9.254 17783 11122 1 20 . 1 1 68 68 SER HA H 390 4.850 4.850 4.834 0.016 17783 11123 1 20 . 1 1 68 68 SER C C 390 174.691 174.691 174.981 -0.290 17783 11124 1 20 . 1 1 68 68 SER CA C 390 58.213 58.213 57.348 0.865 17783 11125 1 20 . 1 1 68 68 SER CB C 390 66.007 66.007 62.806 3.201 17783 11126 1 20 . 1 1 68 68 SER H H 390 8.803 8.803 8.621 0.182 17783 11127 1 20 . 1 1 69 69 GLY N N 391 115.161 115.161 115.247 -0.086 17783 11128 1 20 . 1 1 69 69 GLY C C 391 172.208 172.208 173.027 -0.819 17783 11129 1 20 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.678 -1.353 17783 11130 1 20 . 1 1 69 69 GLY H H 391 8.436 8.436 7.928 0.508 17783 11131 1 20 . 1 1 70 70 VAL N N 392 117.033 117.033 121.329 -4.296 17783 11132 1 20 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.210 0.270 17783 11133 1 20 . 1 1 70 70 VAL C C 392 174.635 174.635 174.767 -0.132 17783 11134 1 20 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.872 0.331 17783 11135 1 20 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.808 0.429 17783 11136 1 20 . 1 1 70 70 VAL H H 392 7.188 7.188 7.764 -0.576 17783 11137 1 20 . 1 1 71 71 TYR N N 393 124.867 124.867 126.767 -1.900 17783 11138 1 20 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.553 0.248 17783 11139 1 20 . 1 1 71 71 TYR C C 393 175.550 175.550 177.007 -1.457 17783 11140 1 20 . 1 1 71 71 TYR CA C 393 56.285 56.285 58.108 -1.823 17783 11141 1 20 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.179 3.364 17783 11142 1 20 . 1 1 71 71 TYR H H 393 9.517 9.517 8.335 1.182 17783 11143 1 20 . 1 1 72 72 ALA N N 394 124.217 124.217 126.798 -2.581 17783 11144 1 20 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.841 -1.070 17783 11145 1 20 . 1 1 72 72 ALA C C 394 175.911 175.911 177.538 -1.627 17783 11146 1 20 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.675 -1.418 17783 11147 1 20 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.913 0.108 17783 11148 1 20 . 1 1 72 72 ALA H H 394 8.984 8.984 8.738 0.246 17783 11149 1 20 . 1 1 73 73 SER N N 395 106.325 106.325 110.002 -3.677 17783 11150 1 20 . 1 1 73 73 SER HA H 395 4.769 4.769 4.692 0.077 17783 11151 1 20 . 1 1 73 73 SER C C 395 173.686 173.686 174.510 -0.824 17783 11152 1 20 . 1 1 73 73 SER CA C 395 56.031 56.031 57.057 -1.026 17783 11153 1 20 . 1 1 73 73 SER CB C 395 66.773 66.773 64.674 2.099 17783 11154 1 20 . 1 1 73 73 SER H H 395 7.251 7.251 7.691 -0.440 17783 11155 1 20 . 1 1 74 74 LYS N N 396 123.531 123.531 125.053 -1.522 17783 11156 1 20 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.502 -0.608 17783 11157 1 20 . 1 1 74 74 LYS C C 396 178.040 178.040 177.720 0.320 17783 11158 1 20 . 1 1 74 74 LYS CA C 396 59.543 59.543 59.493 0.050 17783 11159 1 20 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.897 -0.261 17783 11160 1 20 . 1 1 74 74 LYS H H 396 8.742 8.742 8.025 0.717 17783 11161 1 20 . 1 1 75 75 GLU N N 397 118.740 118.740 118.819 -0.079 17783 11162 1 20 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.937 -0.123 17783 11163 1 20 . 1 1 75 75 GLU C C 397 179.136 179.136 178.235 0.901 17783 11164 1 20 . 1 1 75 75 GLU CA C 397 60.077 60.077 58.995 1.082 17783 11165 1 20 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.521 -0.773 17783 11166 1 20 . 1 1 75 75 GLU H H 397 8.529 8.529 7.507 1.022 17783 11167 1 20 . 1 1 76 76 GLU N N 398 119.987 119.987 117.006 2.981 17783 11168 1 20 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.380 -0.545 17783 11169 1 20 . 1 1 76 76 GLU C C 398 178.564 178.564 178.197 0.367 17783 11170 1 20 . 1 1 76 76 GLU CA C 398 59.362 59.362 56.668 2.694 17783 11171 1 20 . 1 1 76 76 GLU CB C 398 30.431 30.431 30.105 0.326 17783 11172 1 20 . 1 1 76 76 GLU H H 398 7.804 7.804 8.233 -0.429 17783 11173 1 20 . 1 1 77 77 ALA N N 399 122.630 122.630 122.366 0.264 17783 11174 1 20 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.763 -1.175 17783 11175 1 20 . 1 1 77 77 ALA C C 399 177.764 177.764 178.654 -0.890 17783 11176 1 20 . 1 1 77 77 ALA CA C 399 54.361 54.361 53.574 0.787 17783 11177 1 20 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.412 -0.747 17783 11178 1 20 . 1 1 77 77 ALA H H 399 7.294 7.294 7.849 -0.555 17783 11179 1 20 . 1 1 78 78 LYS N N 400 115.403 115.403 118.442 -3.039 17783 11180 1 20 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.974 -0.204 17783 11181 1 20 . 1 1 78 78 LYS C C 400 180.700 180.700 178.196 2.504 17783 11182 1 20 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.694 0.848 17783 11183 1 20 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.294 -0.461 17783 11184 1 20 . 1 1 78 78 LYS H H 400 8.001 8.001 7.617 0.384 17783 11185 1 20 . 1 1 79 79 LYS N N 401 119.756 119.756 118.561 1.195 17783 11186 1 20 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.214 -0.245 17783 11187 1 20 . 1 1 79 79 LYS C C 401 178.347 178.347 177.900 0.447 17783 11188 1 20 . 1 1 79 79 LYS CA C 401 58.976 58.976 57.873 1.103 17783 11189 1 20 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.497 -0.199 17783 11190 1 20 . 1 1 79 79 LYS H H 401 7.788 7.788 7.444 0.344 17783 11191 1 20 . 1 1 80 80 ALA N N 402 120.725 120.725 123.070 -2.345 17783 11192 1 20 . 1 1 80 80 ALA HA H 402 4.143 4.143 3.870 0.273 17783 11193 1 20 . 1 1 80 80 ALA C C 402 180.118 180.118 178.881 1.237 17783 11194 1 20 . 1 1 80 80 ALA CA C 402 53.772 53.772 55.307 -1.535 17783 11195 1 20 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.353 1.116 17783 11196 1 20 . 1 1 80 80 ALA H H 402 7.334 7.334 7.446 -0.112 17783 11197 1 20 . 1 1 81 81 VAL N N 403 120.431 120.431 117.388 3.043 17783 11198 1 20 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.692 -0.330 17783 11199 1 20 . 1 1 81 81 VAL C C 403 177.205 177.205 177.774 -0.569 17783 11200 1 20 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.748 0.980 17783 11201 1 20 . 1 1 81 81 VAL CB C 403 31.733 31.733 30.996 0.737 17783 11202 1 20 . 1 1 81 81 VAL H H 403 7.480 7.480 7.994 -0.514 17783 11203 1 20 . 1 1 82 82 SER N N 404 110.126 110.126 113.785 -3.659 17783 11204 1 20 . 1 1 82 82 SER HA H 404 4.143 4.143 4.179 -0.036 17783 11205 1 20 . 1 1 82 82 SER C C 404 174.813 174.813 175.739 -0.926 17783 11206 1 20 . 1 1 82 82 SER CA C 404 60.751 60.751 61.451 -0.700 17783 11207 1 20 . 1 1 82 82 SER CB C 404 63.287 63.287 62.978 0.309 17783 11208 1 20 . 1 1 82 82 SER H H 404 7.326 7.326 7.915 -0.589 17783 11209 1 20 . 1 1 83 83 THR N N 405 110.438 110.438 114.718 -4.280 17783 11210 1 20 . 1 1 83 83 THR HA H 405 4.461 4.461 4.106 0.355 17783 11211 1 20 . 1 1 83 83 THR C C 405 175.081 175.081 175.528 -0.447 17783 11212 1 20 . 1 1 83 83 THR CA C 405 61.761 61.761 63.902 -2.141 17783 11213 1 20 . 1 1 83 83 THR CB C 405 69.795 69.795 69.063 0.732 17783 11214 1 20 . 1 1 83 83 THR H H 405 7.634 7.634 7.502 0.132 17783 11215 1 20 . 1 1 84 84 LEU N N 406 123.244 123.244 121.639 1.605 17783 11216 1 20 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.229 0.411 17783 11217 1 20 . 1 1 84 84 LEU C C 406 174.599 174.599 175.941 -1.342 17783 11218 1 20 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.000 -0.705 17783 11219 1 20 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.328 -0.619 17783 11220 1 20 . 1 1 84 84 LEU H H 406 7.478 7.478 7.447 0.031 17783 11221 1 20 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.536 -0.043 17783 11222 1 20 . 1 1 85 85 PRO C C 407 177.743 177.743 177.258 0.485 17783 11223 1 20 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.285 0.859 17783 11224 1 20 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.481 0.440 17783 11225 1 20 . 1 1 86 86 ALA N N 408 128.809 128.809 122.365 6.444 17783 11226 1 20 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.060 -0.114 17783 11227 1 20 . 1 1 86 86 ALA C C 408 180.517 180.517 179.264 1.253 17783 11228 1 20 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.657 0.848 17783 11229 1 20 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.078 0.267 17783 11230 1 20 . 1 1 86 86 ALA H H 408 9.168 9.168 8.604 0.564 17783 11231 1 20 . 1 1 87 87 ASP N N 409 116.520 116.520 119.094 -2.574 17783 11232 1 20 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.420 0.042 17783 11233 1 20 . 1 1 87 87 ASP C C 409 178.081 178.081 178.545 -0.464 17783 11234 1 20 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.593 -0.657 17783 11235 1 20 . 1 1 87 87 ASP CB C 409 40.359 40.359 39.957 0.402 17783 11236 1 20 . 1 1 87 87 ASP H H 409 9.359 9.359 8.684 0.675 17783 11237 1 20 . 1 1 88 88 VAL N N 410 117.452 117.452 118.164 -0.712 17783 11238 1 20 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.088 0.001 17783 11239 1 20 . 1 1 88 88 VAL C C 410 178.675 178.675 178.555 0.120 17783 11240 1 20 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.788 -0.913 17783 11241 1 20 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.846 -0.561 17783 11242 1 20 . 1 1 88 88 VAL H H 410 7.355 7.355 7.886 -0.531 17783 11243 1 20 . 1 1 89 89 GLN N N 411 119.387 119.387 120.081 -0.694 17783 11244 1 20 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.005 -0.361 17783 11245 1 20 . 1 1 89 89 GLN C C 411 179.168 179.168 178.704 0.464 17783 11246 1 20 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.842 1.870 17783 11247 1 20 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.532 -0.022 17783 11248 1 20 . 1 1 89 89 GLN H H 411 8.271 8.271 8.521 -0.250 17783 11249 1 20 . 1 1 90 90 ALA N N 412 118.634 118.634 123.419 -4.785 17783 11250 1 20 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.179 0.086 17783 11251 1 20 . 1 1 90 90 ALA C C 412 177.949 177.949 178.607 -0.658 17783 11252 1 20 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.706 -0.765 17783 11253 1 20 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.463 -0.136 17783 11254 1 20 . 1 1 90 90 ALA H H 412 7.794 7.794 8.592 -0.798 17783 11255 1 20 . 1 1 91 91 LYS N N 413 115.842 115.842 115.535 0.307 17783 11256 1 20 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.133 0.199 17783 11257 1 20 . 1 1 91 91 LYS C C 413 175.829 175.829 176.099 -0.270 17783 11258 1 20 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.368 0.001 17783 11259 1 20 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.189 0.295 17783 11260 1 20 . 1 1 91 91 LYS H H 413 7.398 7.398 7.533 -0.135 17783 11261 1 20 . 1 1 92 92 ASN N N 414 113.776 113.776 115.920 -2.144 17783 11262 1 20 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.518 0.018 17783 11263 1 20 . 1 1 92 92 ASN C C 414 171.075 171.075 173.301 -2.226 17783 11264 1 20 . 1 1 92 92 ASN CA C 414 54.063 54.063 52.783 1.280 17783 11265 1 20 . 1 1 92 92 ASN CB C 414 37.081 37.081 37.432 -0.351 17783 11266 1 20 . 1 1 92 92 ASN H H 414 8.178 8.178 7.649 0.529 17783 11267 1 20 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.541 0.461 17783 11268 1 20 . 1 1 93 93 PRO C C 415 175.682 175.682 176.582 -0.900 17783 11269 1 20 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.322 0.168 17783 11270 1 20 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.277 1.308 17783 11271 1 20 . 1 1 94 94 TRP N N 416 117.925 117.925 121.094 -3.169 17783 11272 1 20 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.937 0.080 17783 11273 1 20 . 1 1 94 94 TRP C C 416 173.607 173.607 174.881 -1.274 17783 11274 1 20 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.886 -0.891 17783 11275 1 20 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.317 1.190 17783 11276 1 20 . 1 1 94 94 TRP H H 416 7.921 7.921 8.016 -0.095 17783 11277 1 20 . 1 1 95 95 ALA N N 417 123.924 123.924 126.276 -2.352 17783 11278 1 20 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.056 0.699 17783 11279 1 20 . 1 1 95 95 ALA C C 417 174.171 174.171 176.151 -1.980 17783 11280 1 20 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.575 -0.938 17783 11281 1 20 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.506 -0.038 17783 11282 1 20 . 1 1 95 95 ALA H H 417 8.878 8.878 8.395 0.483 17783 11283 1 20 . 1 1 96 96 LYS N N 418 129.441 129.441 120.663 8.778 17783 11284 1 20 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.192 0.829 17783 11285 1 20 . 1 1 96 96 LYS C C 418 173.451 173.451 173.328 0.123 17783 11286 1 20 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.192 -0.628 17783 11287 1 20 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.156 3.827 17783 11288 1 20 . 1 1 96 96 LYS H H 418 9.235 9.235 8.388 0.847 17783 11289 1 20 . 1 1 97 97 PRO HA H 419 3.764 3.764 3.734 0.030 17783 11290 1 20 . 1 1 97 97 PRO C C 419 178.893 178.893 177.678 1.215 17783 11291 1 20 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.388 -0.493 17783 11292 1 20 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.026 0.694 17783 11293 1 20 . 1 1 98 98 LEU N N 420 126.746 126.746 125.357 1.389 17783 11294 1 20 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.900 -0.097 17783 11295 1 20 . 1 1 98 98 LEU C C 420 179.040 179.040 178.446 0.594 17783 11296 1 20 . 1 1 98 98 LEU CA C 420 57.368 57.368 57.115 0.253 17783 11297 1 20 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.954 -2.013 17783 11298 1 20 . 1 1 98 98 LEU H H 420 9.179 9.179 7.924 1.255 17783 11299 1 20 . 1 1 99 99 ARG N N 421 118.262 118.262 115.708 2.554 17783 11300 1 20 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.019 0.040 17783 11301 1 20 . 1 1 99 99 ARG C C 421 178.140 178.140 176.669 1.471 17783 11302 1 20 . 1 1 99 99 ARG CA C 421 59.093 59.093 57.779 1.314 17783 11303 1 20 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.698 0.258 17783 11304 1 20 . 1 1 99 99 ARG H H 421 8.014 8.014 8.286 -0.272 17783 11305 1 20 . 1 1 100 100 GLN N N 422 116.539 116.539 117.352 -0.813 17783 11306 1 20 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.279 -0.069 17783 11307 1 20 . 1 1 100 100 GLN C C 422 177.594 177.594 177.555 0.039 17783 11308 1 20 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.645 0.089 17783 11309 1 20 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.918 -0.740 17783 11310 1 20 . 1 1 100 100 GLN H H 422 7.258 7.258 8.046 -0.788 17783 11311 1 20 . 1 1 101 101 VAL N N 423 119.665 119.665 120.951 -1.286 17783 11312 1 20 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.738 -0.190 17783 11313 1 20 . 1 1 101 101 VAL C C 423 177.040 177.040 176.725 0.315 17783 11314 1 20 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.455 -0.008 17783 11315 1 20 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.543 1.010 17783 11316 1 20 . 1 1 101 101 VAL H H 423 7.090 7.090 8.414 -1.324 17783 11317 1 20 . 1 1 102 102 GLN N N 424 115.032 115.032 118.300 -3.268 17783 11318 1 20 . 1 1 102 102 GLN HA H 424 3.565 3.565 4.052 -0.487 17783 11319 1 20 . 1 1 102 102 GLN C C 424 177.994 177.994 177.011 0.983 17783 11320 1 20 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.700 1.183 17783 11321 1 20 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.420 -0.360 17783 11322 1 20 . 1 1 102 102 GLN H H 424 8.553 8.553 7.811 0.742 17783 11323 1 20 . 1 1 103 103 ALA N N 425 120.742 120.742 122.989 -2.247 17783 11324 1 20 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.097 0.061 17783 11325 1 20 . 1 1 103 103 ALA C C 425 178.545 178.545 178.708 -0.163 17783 11326 1 20 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.497 -0.222 17783 11327 1 20 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.499 -0.177 17783 11328 1 20 . 1 1 103 103 ALA H H 425 7.366 7.366 8.281 -0.915 17783 11329 1 20 . 1 1 104 104 ASP N N 426 117.066 117.066 118.312 -1.246 17783 11330 1 20 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.597 0.111 17783 11331 1 20 . 1 1 104 104 ASP C C 426 176.876 176.876 176.551 0.325 17783 11332 1 20 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.434 -0.211 17783 11333 1 20 . 1 1 104 104 ASP CB C 426 42.500 42.500 42.565 -0.065 17783 11334 1 20 . 1 1 104 104 ASP H H 426 7.628 7.628 7.998 -0.370 17783 11335 1 20 . 1 1 105 105 LEU N N 427 119.853 119.853 118.422 1.431 17783 11336 1 20 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.502 -0.203 17783 11337 1 20 . 1 1 105 105 LEU C C 427 176.118 176.118 174.726 1.392 17783 11338 1 20 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.776 0.210 17783 11339 1 20 . 1 1 105 105 LEU CB C 427 42.078 42.078 45.156 -3.078 17783 11340 1 20 . 1 1 105 105 LEU H H 427 7.242 7.242 7.720 -0.478 17783 11341 1 21 . 1 1 2 2 ARG N N 324 121.883 121.883 123.115 -1.232 17783 11342 1 21 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.428 -0.084 17783 11343 1 21 . 1 1 2 2 ARG C C 324 176.887 176.887 177.765 -0.878 17783 11344 1 21 . 1 1 2 2 ARG CA C 324 56.505 56.505 55.848 0.657 17783 11345 1 21 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.839 -0.105 17783 11346 1 21 . 1 1 2 2 ARG H H 324 8.373 8.373 8.063 0.310 17783 11347 1 21 . 1 1 3 3 GLY N N 325 111.231 111.231 111.409 -0.178 17783 11348 1 21 . 1 1 3 3 GLY C C 325 174.037 174.037 174.153 -0.116 17783 11349 1 21 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.611 0.617 17783 11350 1 21 . 1 1 3 3 GLY H H 325 8.683 8.683 8.747 -0.064 17783 11351 1 21 . 1 1 4 4 SER N N 326 115.541 115.541 115.315 0.226 17783 11352 1 21 . 1 1 4 4 SER HA H 326 4.377 4.377 4.384 -0.007 17783 11353 1 21 . 1 1 4 4 SER C C 326 174.454 174.454 174.987 -0.533 17783 11354 1 21 . 1 1 4 4 SER CA C 326 58.315 58.315 58.684 -0.369 17783 11355 1 21 . 1 1 4 4 SER CB C 326 63.902 63.902 63.954 -0.052 17783 11356 1 21 . 1 1 4 4 SER H H 326 8.237 8.237 7.583 0.654 17783 11357 1 21 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.458 0.122 17783 11358 1 21 . 1 1 10 10 HIS C C 332 175.292 175.292 175.651 -0.359 17783 11359 1 21 . 1 1 10 10 HIS CA C 332 55.946 55.946 54.541 1.405 17783 11360 1 21 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.846 0.277 17783 11361 1 21 . 1 1 11 11 GLY N N 333 110.527 110.527 108.578 1.949 17783 11362 1 21 . 1 1 11 11 GLY C C 333 174.126 174.126 174.911 -0.785 17783 11363 1 21 . 1 1 11 11 GLY CA C 333 45.327 45.327 46.027 -0.700 17783 11364 1 21 . 1 1 11 11 GLY H H 333 8.540 8.540 8.535 0.005 17783 11365 1 21 . 1 1 12 12 SER N N 334 115.752 115.752 113.304 2.448 17783 11366 1 21 . 1 1 12 12 SER HA H 334 4.436 4.436 3.963 0.473 17783 11367 1 21 . 1 1 12 12 SER C C 334 174.538 174.538 173.175 1.363 17783 11368 1 21 . 1 1 12 12 SER CA C 334 58.486 58.486 59.657 -1.171 17783 11369 1 21 . 1 1 12 12 SER CB C 334 63.927 63.927 62.851 1.076 17783 11370 1 21 . 1 1 12 12 SER H H 334 8.356 8.356 8.267 0.089 17783 11371 1 21 . 1 1 13 13 ASN N N 335 120.410 120.410 116.650 3.760 17783 11372 1 21 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.693 0.036 17783 11373 1 21 . 1 1 13 13 ASN C C 335 175.116 175.116 173.750 1.366 17783 11374 1 21 . 1 1 13 13 ASN CA C 335 53.386 53.386 52.113 1.273 17783 11375 1 21 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.851 -0.183 17783 11376 1 21 . 1 1 13 13 ASN H H 335 8.575 8.575 7.276 1.299 17783 11377 1 21 . 1 1 14 14 ASN N N 336 119.094 119.094 119.091 0.003 17783 11378 1 21 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.375 0.354 17783 11379 1 21 . 1 1 14 14 ASN C C 336 175.395 175.395 174.272 1.123 17783 11380 1 21 . 1 1 14 14 ASN CA C 336 53.385 53.385 54.025 -0.640 17783 11381 1 21 . 1 1 14 14 ASN CB C 336 38.669 38.669 37.138 1.531 17783 11382 1 21 . 1 1 14 14 ASN H H 336 8.447 8.447 8.771 -0.324 17783 11383 1 21 . 1 1 15 15 ASN N N 337 118.915 118.915 120.975 -2.060 17783 11384 1 21 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.863 -0.329 17783 11385 1 21 . 1 1 15 15 ASN C C 337 176.390 176.390 174.129 2.261 17783 11386 1 21 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.537 0.454 17783 11387 1 21 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.049 -0.428 17783 11388 1 21 . 1 1 15 15 ASN H H 337 8.446 8.446 8.793 -0.347 17783 11389 1 21 . 1 1 16 16 GLY N N 338 108.851 108.851 106.724 2.127 17783 11390 1 21 . 1 1 16 16 GLY C C 338 175.459 175.459 175.097 0.362 17783 11391 1 21 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.221 1.531 17783 11392 1 21 . 1 1 16 16 GLY H H 338 8.454 8.454 8.315 0.139 17783 11393 1 21 . 1 1 17 17 SER N N 339 116.218 116.218 117.185 -0.967 17783 11394 1 21 . 1 1 17 17 SER HA H 339 4.229 4.229 4.146 0.083 17783 11395 1 21 . 1 1 17 17 SER C C 339 175.869 175.869 175.593 0.276 17783 11396 1 21 . 1 1 17 17 SER CA C 339 59.759 59.759 60.896 -1.137 17783 11397 1 21 . 1 1 17 17 SER CB C 339 62.973 62.973 62.988 -0.015 17783 11398 1 21 . 1 1 17 17 SER H H 339 8.170 8.170 8.675 -0.505 17783 11399 1 21 . 1 1 18 18 LEU N N 340 121.515 121.515 121.859 -0.344 17783 11400 1 21 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.076 -0.074 17783 11401 1 21 . 1 1 18 18 LEU C C 340 178.399 178.399 178.914 -0.515 17783 11402 1 21 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.829 -0.678 17783 11403 1 21 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.281 0.795 17783 11404 1 21 . 1 1 18 18 LEU H H 340 7.790 7.790 7.750 0.040 17783 11405 1 21 . 1 1 19 19 LYS N N 341 117.145 117.145 117.456 -0.311 17783 11406 1 21 . 1 1 19 19 LYS HA H 341 3.808 3.808 3.929 -0.121 17783 11407 1 21 . 1 1 19 19 LYS C C 341 176.960 176.960 178.254 -1.294 17783 11408 1 21 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.744 0.448 17783 11409 1 21 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.662 1.131 17783 11410 1 21 . 1 1 19 19 LYS H H 341 7.893 7.893 8.365 -0.472 17783 11411 1 21 . 1 1 20 20 SER N N 342 110.377 110.377 113.919 -3.542 17783 11412 1 21 . 1 1 20 20 SER HA H 342 4.369 4.369 4.232 0.137 17783 11413 1 21 . 1 1 20 20 SER C C 342 173.735 173.735 175.288 -1.553 17783 11414 1 21 . 1 1 20 20 SER CA C 342 58.141 58.141 59.438 -1.297 17783 11415 1 21 . 1 1 20 20 SER CB C 342 63.900 63.900 63.433 0.467 17783 11416 1 21 . 1 1 20 20 SER H H 342 7.546 7.546 7.630 -0.084 17783 11417 1 21 . 1 1 21 21 ALA N N 343 125.662 125.662 126.248 -0.586 17783 11418 1 21 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.497 -0.135 17783 11419 1 21 . 1 1 21 21 ALA C C 343 174.051 174.051 175.332 -1.281 17783 11420 1 21 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.453 1.119 17783 11421 1 21 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.637 -0.503 17783 11422 1 21 . 1 1 21 21 ALA H H 343 6.852 6.852 7.957 -1.105 17783 11423 1 21 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.348 -0.110 17783 11424 1 21 . 1 1 22 22 PRO C C 344 178.184 178.184 176.432 1.752 17783 11425 1 21 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.673 0.409 17783 11426 1 21 . 1 1 22 22 PRO CB C 344 31.604 31.604 31.082 0.521 17783 11427 1 21 . 1 1 23 23 SER N N 345 118.662 118.662 119.940 -1.278 17783 11428 1 21 . 1 1 23 23 SER HA H 345 3.825 3.825 4.110 -0.285 17783 11429 1 21 . 1 1 23 23 SER C C 345 174.231 174.231 175.082 -0.851 17783 11430 1 21 . 1 1 23 23 SER CA C 345 60.892 60.892 58.877 2.015 17783 11431 1 21 . 1 1 23 23 SER CB C 345 63.223 63.223 62.843 0.380 17783 11432 1 21 . 1 1 23 23 SER H H 345 8.566 8.566 8.020 0.546 17783 11433 1 21 . 1 1 24 24 SER N N 346 111.938 111.938 115.592 -3.654 17783 11434 1 21 . 1 1 24 24 SER HA H 346 4.383 4.383 4.165 0.218 17783 11435 1 21 . 1 1 24 24 SER C C 346 175.152 175.152 174.939 0.213 17783 11436 1 21 . 1 1 24 24 SER CA C 346 58.247 58.247 60.223 -1.976 17783 11437 1 21 . 1 1 24 24 SER CB C 346 63.958 63.958 62.504 1.454 17783 11438 1 21 . 1 1 24 24 SER H H 346 7.675 7.675 8.112 -0.437 17783 11439 1 21 . 1 1 25 25 HIS N N 347 122.882 122.882 120.973 1.909 17783 11440 1 21 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.536 0.314 17783 11441 1 21 . 1 1 25 25 HIS C C 347 173.574 173.574 174.342 -0.768 17783 11442 1 21 . 1 1 25 25 HIS CA C 347 56.075 56.075 56.008 0.067 17783 11443 1 21 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.393 1.455 17783 11444 1 21 . 1 1 25 25 HIS H H 347 7.628 7.628 7.115 0.513 17783 11445 1 21 . 1 1 26 26 TYR N N 348 117.921 117.921 122.177 -4.256 17783 11446 1 21 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.653 0.336 17783 11447 1 21 . 1 1 26 26 TYR C C 348 174.086 174.086 175.225 -1.139 17783 11448 1 21 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.215 -0.028 17783 11449 1 21 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.890 1.944 17783 11450 1 21 . 1 1 26 26 TYR H H 348 9.606 9.606 8.607 1.000 17783 11451 1 21 . 1 1 27 27 THR N N 349 115.914 115.914 115.397 0.517 17783 11452 1 21 . 1 1 27 27 THR HA H 349 5.027 5.027 4.739 0.288 17783 11453 1 21 . 1 1 27 27 THR C C 349 172.904 172.904 173.387 -0.483 17783 11454 1 21 . 1 1 27 27 THR CA C 349 58.835 58.835 61.769 -2.934 17783 11455 1 21 . 1 1 27 27 THR CB C 349 70.587 70.587 69.462 1.125 17783 11456 1 21 . 1 1 27 27 THR H H 349 8.974 8.974 8.473 0.501 17783 11457 1 21 . 1 1 28 28 LEU N N 350 123.392 123.392 127.388 -3.996 17783 11458 1 21 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.227 0.762 17783 11459 1 21 . 1 1 28 28 LEU C C 350 176.111 176.111 176.462 -0.351 17783 11460 1 21 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.854 -2.756 17783 11461 1 21 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.236 2.634 17783 11462 1 21 . 1 1 28 28 LEU H H 350 8.249 8.249 8.759 -0.510 17783 11463 1 21 . 1 1 29 29 GLN N N 351 122.797 122.797 116.682 6.115 17783 11464 1 21 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.611 -0.058 17783 11465 1 21 . 1 1 29 29 GLN C C 351 175.435 175.435 175.326 0.109 17783 11466 1 21 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.858 1.085 17783 11467 1 21 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.864 -3.633 17783 11468 1 21 . 1 1 29 29 GLN H H 351 8.915 8.915 8.199 0.716 17783 11469 1 21 . 1 1 30 30 LEU N N 352 125.239 125.239 123.690 1.549 17783 11470 1 21 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.642 -0.275 17783 11471 1 21 . 1 1 30 30 LEU C C 352 177.250 177.250 176.305 0.945 17783 11472 1 21 . 1 1 30 30 LEU CA C 352 56.101 56.101 55.335 0.766 17783 11473 1 21 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.214 -0.114 17783 11474 1 21 . 1 1 30 30 LEU H H 352 8.920 8.920 8.991 -0.071 17783 11475 1 21 . 1 1 31 31 SER N N 353 106.816 106.816 109.956 -3.140 17783 11476 1 21 . 1 1 31 31 SER HA H 353 4.493 4.493 4.519 -0.026 17783 11477 1 21 . 1 1 31 31 SER C C 353 171.831 171.831 172.186 -0.355 17783 11478 1 21 . 1 1 31 31 SER CA C 353 57.160 57.160 58.027 -0.867 17783 11479 1 21 . 1 1 31 31 SER CB C 353 64.360 64.360 63.751 0.609 17783 11480 1 21 . 1 1 31 31 SER H H 353 7.548 7.548 7.575 -0.027 17783 11481 1 21 . 1 1 32 32 SER N N 354 113.518 113.518 116.596 -3.078 17783 11482 1 21 . 1 1 32 32 SER HA H 354 5.026 5.026 4.205 0.821 17783 11483 1 21 . 1 1 32 32 SER C C 354 172.512 172.512 171.593 0.919 17783 11484 1 21 . 1 1 32 32 SER CA C 354 57.285 57.285 57.380 -0.095 17783 11485 1 21 . 1 1 32 32 SER CB C 354 65.347 65.347 65.273 0.074 17783 11486 1 21 . 1 1 32 32 SER H H 354 8.127 8.127 8.214 -0.087 17783 11487 1 21 . 1 1 33 33 SER N N 355 114.624 114.624 115.429 -0.805 17783 11488 1 21 . 1 1 33 33 SER HA H 355 4.106 4.106 4.329 -0.223 17783 11489 1 21 . 1 1 33 33 SER C C 355 171.639 171.639 172.795 -1.156 17783 11490 1 21 . 1 1 33 33 SER CA C 355 57.276 57.276 57.749 -0.473 17783 11491 1 21 . 1 1 33 33 SER CB C 355 64.539 64.539 64.688 -0.149 17783 11492 1 21 . 1 1 33 33 SER H H 355 8.616 8.616 6.639 1.977 17783 11493 1 21 . 1 1 34 34 SER N N 356 116.467 116.467 113.891 2.576 17783 11494 1 21 . 1 1 34 34 SER HA H 356 4.241 4.241 5.115 -0.874 17783 11495 1 21 . 1 1 34 34 SER C C 356 173.820 173.820 173.050 0.770 17783 11496 1 21 . 1 1 34 34 SER CA C 356 59.074 59.074 58.333 0.741 17783 11497 1 21 . 1 1 34 34 SER CB C 356 63.741 63.741 63.674 0.067 17783 11498 1 21 . 1 1 34 34 SER H H 356 8.132 8.132 8.584 -0.452 17783 11499 1 21 . 1 1 35 35 ASN N N 357 122.206 122.206 119.788 2.418 17783 11500 1 21 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.136 -0.215 17783 11501 1 21 . 1 1 35 35 ASN C C 357 172.965 172.965 173.921 -0.956 17783 11502 1 21 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.453 -1.006 17783 11503 1 21 . 1 1 35 35 ASN CB C 357 40.925 40.925 41.118 -0.193 17783 11504 1 21 . 1 1 35 35 ASN H H 357 8.511 8.511 8.363 0.148 17783 11505 1 21 . 1 1 36 36 TYR N N 358 127.519 127.519 125.666 1.853 17783 11506 1 21 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.726 -0.754 17783 11507 1 21 . 1 1 36 36 TYR C C 358 176.522 176.522 176.215 0.307 17783 11508 1 21 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.387 -0.418 17783 11509 1 21 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.516 -0.805 17783 11510 1 21 . 1 1 36 36 TYR H H 358 8.002 8.002 8.893 -0.891 17783 11511 1 21 . 1 1 37 37 ASP N N 359 118.658 118.658 119.444 -0.786 17783 11512 1 21 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.291 -0.147 17783 11513 1 21 . 1 1 37 37 ASP C C 359 179.804 179.804 178.397 1.407 17783 11514 1 21 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.017 -0.513 17783 11515 1 21 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.438 -0.260 17783 11516 1 21 . 1 1 37 37 ASP H H 359 8.033 8.033 8.697 -0.664 17783 11517 1 21 . 1 1 38 38 ASN N N 360 119.802 119.802 116.960 2.842 17783 11518 1 21 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.541 -0.238 17783 11519 1 21 . 1 1 38 38 ASN C C 360 177.720 177.720 177.485 0.235 17783 11520 1 21 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.544 -0.094 17783 11521 1 21 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.316 -0.553 17783 11522 1 21 . 1 1 38 38 ASN H H 360 8.380 8.380 8.340 0.040 17783 11523 1 21 . 1 1 39 39 LEU N N 361 121.625 121.625 120.963 0.662 17783 11524 1 21 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.171 -0.074 17783 11525 1 21 . 1 1 39 39 LEU C C 361 177.738 177.738 178.019 -0.281 17783 11526 1 21 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.185 -0.620 17783 11527 1 21 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.955 0.773 17783 11528 1 21 . 1 1 39 39 LEU H H 361 7.243 7.243 7.720 -0.477 17783 11529 1 21 . 1 1 40 40 ASN N N 362 116.601 116.601 117.845 -1.244 17783 11530 1 21 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.188 -0.043 17783 11531 1 21 . 1 1 40 40 ASN C C 362 177.253 177.253 177.556 -0.303 17783 11532 1 21 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.603 -0.076 17783 11533 1 21 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.244 1.082 17783 11534 1 21 . 1 1 40 40 ASN H H 362 8.284 8.284 8.370 -0.086 17783 11535 1 21 . 1 1 41 41 GLY N N 363 104.958 104.958 108.495 -3.537 17783 11536 1 21 . 1 1 41 41 GLY C C 363 176.323 176.323 174.970 1.353 17783 11537 1 21 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.863 -0.024 17783 11538 1 21 . 1 1 41 41 GLY H H 363 8.334 8.334 7.989 0.345 17783 11539 1 21 . 1 1 42 42 TRP N N 364 125.066 125.066 123.681 1.385 17783 11540 1 21 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.302 -0.076 17783 11541 1 21 . 1 1 42 42 TRP C C 364 176.509 176.509 178.460 -1.951 17783 11542 1 21 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.224 1.266 17783 11543 1 21 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.986 -2.110 17783 11544 1 21 . 1 1 42 42 TRP H H 364 7.833 7.833 7.790 0.043 17783 11545 1 21 . 1 1 43 43 ALA N N 365 120.030 120.030 122.796 -2.766 17783 11546 1 21 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.474 -0.480 17783 11547 1 21 . 1 1 43 43 ALA C C 365 179.186 179.186 178.817 0.369 17783 11548 1 21 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.020 -0.019 17783 11549 1 21 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.103 -1.015 17783 11550 1 21 . 1 1 43 43 ALA H H 365 7.701 7.701 8.967 -1.266 17783 11551 1 21 . 1 1 44 44 LYS N N 366 115.064 115.064 115.602 -0.538 17783 11552 1 21 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.079 -0.046 17783 11553 1 21 . 1 1 44 44 LYS C C 366 180.830 180.830 177.410 3.420 17783 11554 1 21 . 1 1 44 44 LYS CA C 366 58.991 58.991 57.507 1.484 17783 11555 1 21 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.288 0.062 17783 11556 1 21 . 1 1 44 44 LYS H H 366 7.562 7.562 7.930 -0.368 17783 11557 1 21 . 1 1 45 45 LYS N N 367 123.180 123.180 120.123 3.057 17783 11558 1 21 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.123 -0.216 17783 11559 1 21 . 1 1 45 45 LYS C C 367 178.319 178.319 177.787 0.532 17783 11560 1 21 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.212 0.832 17783 11561 1 21 . 1 1 45 45 LYS CB C 367 32.066 32.066 33.197 -1.131 17783 11562 1 21 . 1 1 45 45 LYS H H 367 8.067 8.067 7.814 0.253 17783 11563 1 21 . 1 1 46 46 GLU N N 368 114.882 114.882 116.291 -1.409 17783 11564 1 21 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.017 -0.100 17783 11565 1 21 . 1 1 46 46 GLU C C 368 174.639 174.639 175.987 -1.348 17783 11566 1 21 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.765 -1.749 17783 11567 1 21 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.016 -1.339 17783 11568 1 21 . 1 1 46 46 GLU H H 368 7.488 7.488 7.274 0.214 17783 11569 1 21 . 1 1 47 47 ASN N N 369 114.944 114.944 115.977 -1.033 17783 11570 1 21 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.212 0.060 17783 11571 1 21 . 1 1 47 47 ASN C C 369 174.759 174.759 174.456 0.303 17783 11572 1 21 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.464 0.240 17783 11573 1 21 . 1 1 47 47 ASN CB C 369 37.059 37.059 37.203 -0.144 17783 11574 1 21 . 1 1 47 47 ASN H H 369 7.772 7.772 7.662 0.110 17783 11575 1 21 . 1 1 48 48 LEU N N 370 116.008 116.008 118.734 -2.726 17783 11576 1 21 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.955 0.165 17783 11577 1 21 . 1 1 48 48 LEU C C 370 177.056 177.056 176.438 0.618 17783 11578 1 21 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.381 -0.263 17783 11579 1 21 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.103 0.814 17783 11580 1 21 . 1 1 48 48 LEU H H 370 7.463 7.463 7.091 0.372 17783 11581 1 21 . 1 1 49 49 LYS N N 371 120.012 120.012 123.662 -3.650 17783 11582 1 21 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.442 0.118 17783 11583 1 21 . 1 1 49 49 LYS C C 371 176.481 176.481 176.536 -0.055 17783 11584 1 21 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.843 -0.514 17783 11585 1 21 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.348 1.207 17783 11586 1 21 . 1 1 49 49 LYS H H 371 8.518 8.518 8.309 0.209 17783 11587 1 21 . 1 1 50 50 ASN N N 372 117.610 117.610 119.417 -1.807 17783 11588 1 21 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.420 0.094 17783 11589 1 21 . 1 1 50 50 ASN C C 372 173.445 173.445 173.284 0.161 17783 11590 1 21 . 1 1 50 50 ASN CA C 372 53.437 53.437 53.834 -0.397 17783 11591 1 21 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.512 -0.580 17783 11592 1 21 . 1 1 50 50 ASN H H 372 8.734 8.734 8.903 -0.169 17783 11593 1 21 . 1 1 51 51 TYR N N 373 117.151 117.151 116.105 1.046 17783 11594 1 21 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.140 0.255 17783 11595 1 21 . 1 1 51 51 TYR C C 373 173.549 173.549 173.806 -0.257 17783 11596 1 21 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.066 -0.284 17783 11597 1 21 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.276 0.135 17783 11598 1 21 . 1 1 51 51 TYR H H 373 7.570 7.570 7.574 -0.004 17783 11599 1 21 . 1 1 52 52 VAL N N 374 120.887 120.887 122.920 -2.033 17783 11600 1 21 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.281 0.017 17783 11601 1 21 . 1 1 52 52 VAL C C 374 174.289 174.289 175.382 -1.093 17783 11602 1 21 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.845 -0.131 17783 11603 1 21 . 1 1 52 52 VAL CB C 374 36.584 36.584 33.654 2.930 17783 11604 1 21 . 1 1 52 52 VAL H H 374 9.140 9.140 8.731 0.409 17783 11605 1 21 . 1 1 53 53 VAL N N 375 126.060 126.060 128.175 -2.115 17783 11606 1 21 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.166 1.249 17783 11607 1 21 . 1 1 53 53 VAL C C 375 175.803 175.803 175.771 0.032 17783 11608 1 21 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.751 -2.095 17783 11609 1 21 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.999 0.737 17783 11610 1 21 . 1 1 53 53 VAL H H 375 8.600 8.600 8.476 0.124 17783 11611 1 21 . 1 1 54 54 TYR N N 376 125.706 125.706 124.426 1.280 17783 11612 1 21 . 1 1 54 54 TYR HA H 376 5.422 5.422 4.908 0.514 17783 11613 1 21 . 1 1 54 54 TYR C C 376 172.139 172.139 173.571 -1.432 17783 11614 1 21 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.040 0.089 17783 11615 1 21 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.463 1.194 17783 11616 1 21 . 1 1 54 54 TYR H H 376 9.292 9.292 8.029 1.263 17783 11617 1 21 . 1 1 55 55 GLU N N 377 122.063 122.063 120.812 1.251 17783 11618 1 21 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.854 0.860 17783 11619 1 21 . 1 1 55 55 GLU C C 377 175.011 175.011 175.604 -0.593 17783 11620 1 21 . 1 1 55 55 GLU CA C 377 55.143 55.143 56.235 -1.092 17783 11621 1 21 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.120 2.539 17783 11622 1 21 . 1 1 55 55 GLU H H 377 8.758 8.758 8.699 0.059 17783 11623 1 21 . 1 1 56 56 THR N N 378 122.855 122.855 120.329 2.526 17783 11624 1 21 . 1 1 56 56 THR HA H 378 4.848 4.848 4.674 0.174 17783 11625 1 21 . 1 1 56 56 THR C C 378 173.550 173.550 173.063 0.487 17783 11626 1 21 . 1 1 56 56 THR CA C 378 58.732 58.732 60.553 -1.821 17783 11627 1 21 . 1 1 56 56 THR CB C 378 70.181 70.181 72.229 -2.048 17783 11628 1 21 . 1 1 56 56 THR H H 378 9.160 9.160 8.362 0.798 17783 11629 1 21 . 1 1 57 57 THR N N 379 116.629 116.629 113.445 3.184 17783 11630 1 21 . 1 1 57 57 THR HA H 379 5.145 5.145 4.603 0.542 17783 11631 1 21 . 1 1 57 57 THR C C 379 173.973 173.973 173.676 0.297 17783 11632 1 21 . 1 1 57 57 THR CA C 379 60.517 60.517 61.370 -0.853 17783 11633 1 21 . 1 1 57 57 THR CB C 379 71.582 71.582 69.506 2.076 17783 11634 1 21 . 1 1 57 57 THR H H 379 8.677 8.677 8.520 0.157 17783 11635 1 21 . 1 1 58 58 ARG N N 380 124.546 124.546 126.700 -2.154 17783 11636 1 21 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.559 -0.251 17783 11637 1 21 . 1 1 58 58 ARG C C 380 176.074 176.074 175.560 0.514 17783 11638 1 21 . 1 1 58 58 ARG CA C 380 55.510 55.510 55.408 0.102 17783 11639 1 21 . 1 1 58 58 ARG CB C 380 32.473 32.473 32.453 0.020 17783 11640 1 21 . 1 1 58 58 ARG H H 380 9.117 9.117 8.134 0.983 17783 11641 1 21 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.541 -0.235 17783 11642 1 21 . 1 1 59 59 ASN C C 381 175.444 175.444 175.570 -0.126 17783 11643 1 21 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.362 0.875 17783 11644 1 21 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.614 -0.401 17783 11645 1 21 . 1 1 60 60 GLY N N 382 103.015 103.015 105.008 -1.993 17783 11646 1 21 . 1 1 60 60 GLY C C 382 173.488 173.488 173.595 -0.107 17783 11647 1 21 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.832 -0.359 17783 11648 1 21 . 1 1 60 60 GLY H H 382 8.639 8.639 8.696 -0.057 17783 11649 1 21 . 1 1 61 61 GLN N N 383 119.903 119.903 117.370 2.533 17783 11650 1 21 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.570 0.430 17783 11651 1 21 . 1 1 61 61 GLN C C 383 172.730 172.730 173.553 -0.823 17783 11652 1 21 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.526 0.165 17783 11653 1 21 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.663 0.048 17783 11654 1 21 . 1 1 61 61 GLN H H 383 7.697 7.697 7.485 0.212 17783 11655 1 21 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.361 0.253 17783 11656 1 21 . 1 1 62 62 PRO C C 384 175.576 175.576 175.591 -0.015 17783 11657 1 21 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.176 0.826 17783 11658 1 21 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.893 0.651 17783 11659 1 21 . 1 1 63 63 TRP N N 385 126.621 126.621 125.475 1.146 17783 11660 1 21 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.772 -0.261 17783 11661 1 21 . 1 1 63 63 TRP C C 385 172.096 172.096 172.878 -0.782 17783 11662 1 21 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.492 0.590 17783 11663 1 21 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.487 0.687 17783 11664 1 21 . 1 1 63 63 TRP H H 385 8.063 8.063 8.595 -0.532 17783 11665 1 21 . 1 1 64 64 TYR N N 386 124.129 124.129 120.410 3.719 17783 11666 1 21 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.547 0.671 17783 11667 1 21 . 1 1 64 64 TYR C C 386 173.544 173.544 174.172 -0.628 17783 11668 1 21 . 1 1 64 64 TYR CA C 386 56.769 56.769 55.197 1.571 17783 11669 1 21 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.700 2.733 17783 11670 1 21 . 1 1 64 64 TYR H H 386 7.954 7.954 6.895 1.059 17783 11671 1 21 . 1 1 65 65 VAL N N 387 121.167 121.167 122.097 -0.930 17783 11672 1 21 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.474 -0.611 17783 11673 1 21 . 1 1 65 65 VAL C C 387 172.675 172.675 174.997 -2.322 17783 11674 1 21 . 1 1 65 65 VAL CA C 387 61.257 61.257 61.181 0.076 17783 11675 1 21 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.201 0.932 17783 11676 1 21 . 1 1 65 65 VAL H H 387 8.409 8.409 7.253 1.156 17783 11677 1 21 . 1 1 66 66 LEU N N 388 127.479 127.479 129.286 -1.807 17783 11678 1 21 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.765 0.658 17783 11679 1 21 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.543 -0.047 17783 11680 1 21 . 1 1 66 66 LEU CB C 388 44.755 44.755 42.394 2.361 17783 11681 1 21 . 1 1 66 66 LEU H H 388 8.200 8.200 8.668 -0.468 17783 11682 1 21 . 1 1 67 67 VAL N N 389 120.778 120.778 118.708 2.070 17783 11683 1 21 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.526 1.314 17783 11684 1 21 . 1 1 67 67 VAL C C 389 174.934 174.934 176.120 -1.186 17783 11685 1 21 . 1 1 67 67 VAL CA C 389 57.827 57.827 61.097 -3.271 17783 11686 1 21 . 1 1 67 67 VAL CB C 389 33.693 33.693 33.687 0.007 17783 11687 1 21 . 1 1 67 67 VAL H H 389 9.314 9.314 8.144 1.170 17783 11688 1 21 . 1 1 68 68 SER N N 390 113.588 113.588 119.331 -5.743 17783 11689 1 21 . 1 1 68 68 SER HA H 390 4.850 4.850 4.673 0.177 17783 11690 1 21 . 1 1 68 68 SER C C 390 174.691 174.691 175.327 -0.636 17783 11691 1 21 . 1 1 68 68 SER CA C 390 58.213 58.213 57.245 0.969 17783 11692 1 21 . 1 1 68 68 SER CB C 390 66.007 66.007 62.501 3.506 17783 11693 1 21 . 1 1 68 68 SER H H 390 8.803 8.803 8.392 0.411 17783 11694 1 21 . 1 1 69 69 GLY N N 391 115.161 115.161 113.022 2.139 17783 11695 1 21 . 1 1 69 69 GLY C C 391 172.208 172.208 172.668 -0.460 17783 11696 1 21 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.857 -1.532 17783 11697 1 21 . 1 1 69 69 GLY H H 391 8.436 8.436 8.139 0.297 17783 11698 1 21 . 1 1 70 70 VAL N N 392 117.033 117.033 117.664 -0.631 17783 11699 1 21 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.456 0.024 17783 11700 1 21 . 1 1 70 70 VAL C C 392 174.635 174.635 174.361 0.274 17783 11701 1 21 . 1 1 70 70 VAL CA C 392 62.203 62.203 60.054 2.149 17783 11702 1 21 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.279 0.958 17783 11703 1 21 . 1 1 70 70 VAL H H 392 7.188 7.188 7.712 -0.524 17783 11704 1 21 . 1 1 71 71 TYR N N 393 124.867 124.867 124.744 0.123 17783 11705 1 21 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.527 0.274 17783 11706 1 21 . 1 1 71 71 TYR C C 393 175.550 175.550 176.362 -0.812 17783 11707 1 21 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.598 -1.313 17783 11708 1 21 . 1 1 71 71 TYR CB C 393 42.543 42.543 38.249 4.294 17783 11709 1 21 . 1 1 71 71 TYR H H 393 9.517 9.517 8.089 1.428 17783 11710 1 21 . 1 1 72 72 ALA N N 394 124.217 124.217 127.369 -3.152 17783 11711 1 21 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.875 -1.104 17783 11712 1 21 . 1 1 72 72 ALA C C 394 175.911 175.911 177.131 -1.220 17783 11713 1 21 . 1 1 72 72 ALA CA C 394 53.257 53.257 53.865 -0.609 17783 11714 1 21 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.808 0.213 17783 11715 1 21 . 1 1 72 72 ALA H H 394 8.984 8.984 8.675 0.309 17783 11716 1 21 . 1 1 73 73 SER N N 395 106.325 106.325 110.035 -3.710 17783 11717 1 21 . 1 1 73 73 SER HA H 395 4.769 4.769 4.621 0.148 17783 11718 1 21 . 1 1 73 73 SER C C 395 173.686 173.686 174.146 -0.460 17783 11719 1 21 . 1 1 73 73 SER CA C 395 56.031 56.031 57.349 -1.318 17783 11720 1 21 . 1 1 73 73 SER CB C 395 66.773 66.773 65.293 1.480 17783 11721 1 21 . 1 1 73 73 SER H H 395 7.251 7.251 7.529 -0.278 17783 11722 1 21 . 1 1 74 74 LYS N N 396 123.531 123.531 122.417 1.114 17783 11723 1 21 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.865 -0.971 17783 11724 1 21 . 1 1 74 74 LYS C C 396 178.040 178.040 177.713 0.327 17783 11725 1 21 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.588 0.955 17783 11726 1 21 . 1 1 74 74 LYS CB C 396 31.636 31.636 32.030 -0.394 17783 11727 1 21 . 1 1 74 74 LYS H H 396 8.742 8.742 8.840 -0.098 17783 11728 1 21 . 1 1 75 75 GLU N N 397 118.740 118.740 119.914 -1.174 17783 11729 1 21 . 1 1 75 75 GLU HA H 397 3.814 3.814 4.017 -0.203 17783 11730 1 21 . 1 1 75 75 GLU C C 397 179.136 179.136 178.793 0.343 17783 11731 1 21 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.086 0.991 17783 11732 1 21 . 1 1 75 75 GLU CB C 397 28.748 28.748 28.709 0.039 17783 11733 1 21 . 1 1 75 75 GLU H H 397 8.529 8.529 8.538 -0.009 17783 11734 1 21 . 1 1 76 76 GLU N N 398 119.987 119.987 118.935 1.052 17783 11735 1 21 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.084 -0.249 17783 11736 1 21 . 1 1 76 76 GLU C C 398 178.564 178.564 178.328 0.236 17783 11737 1 21 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.598 0.764 17783 11738 1 21 . 1 1 76 76 GLU CB C 398 30.431 30.431 28.643 1.788 17783 11739 1 21 . 1 1 76 76 GLU H H 398 7.804 7.804 8.759 -0.955 17783 11740 1 21 . 1 1 77 77 ALA N N 399 122.630 122.630 121.848 0.782 17783 11741 1 21 . 1 1 77 77 ALA HA H 399 2.588 2.588 2.974 -0.386 17783 11742 1 21 . 1 1 77 77 ALA C C 399 177.764 177.764 178.827 -1.063 17783 11743 1 21 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.585 -0.224 17783 11744 1 21 . 1 1 77 77 ALA CB C 399 17.665 17.665 17.908 -0.243 17783 11745 1 21 . 1 1 77 77 ALA H H 399 7.294 7.294 7.482 -0.188 17783 11746 1 21 . 1 1 78 78 LYS N N 400 115.403 115.403 118.928 -3.525 17783 11747 1 21 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.865 -0.095 17783 11748 1 21 . 1 1 78 78 LYS C C 400 180.700 180.700 179.509 1.191 17783 11749 1 21 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.281 0.261 17783 11750 1 21 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.171 -0.338 17783 11751 1 21 . 1 1 78 78 LYS H H 400 8.001 8.001 7.556 0.445 17783 11752 1 21 . 1 1 79 79 LYS N N 401 119.756 119.756 118.491 1.265 17783 11753 1 21 . 1 1 79 79 LYS HA H 401 3.969 3.969 3.974 -0.005 17783 11754 1 21 . 1 1 79 79 LYS C C 401 178.347 178.347 179.120 -0.773 17783 11755 1 21 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.924 0.052 17783 11756 1 21 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.755 0.543 17783 11757 1 21 . 1 1 79 79 LYS H H 401 7.788 7.788 7.529 0.259 17783 11758 1 21 . 1 1 80 80 ALA N N 402 120.725 120.725 122.102 -1.377 17783 11759 1 21 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.173 -0.030 17783 11760 1 21 . 1 1 80 80 ALA C C 402 180.118 180.118 179.948 0.170 17783 11761 1 21 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.498 -0.726 17783 11762 1 21 . 1 1 80 80 ALA CB C 402 18.469 18.469 18.305 0.164 17783 11763 1 21 . 1 1 80 80 ALA H H 402 7.334 7.334 7.503 -0.169 17783 11764 1 21 . 1 1 81 81 VAL N N 403 120.431 120.431 118.286 2.145 17783 11765 1 21 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.601 -0.239 17783 11766 1 21 . 1 1 81 81 VAL C C 403 177.205 177.205 177.993 -0.788 17783 11767 1 21 . 1 1 81 81 VAL CA C 403 66.728 66.728 66.246 0.482 17783 11768 1 21 . 1 1 81 81 VAL CB C 403 31.733 31.733 30.937 0.796 17783 11769 1 21 . 1 1 81 81 VAL H H 403 7.480 7.480 8.368 -0.888 17783 11770 1 21 . 1 1 82 82 SER N N 404 110.126 110.126 111.190 -1.064 17783 11771 1 21 . 1 1 82 82 SER HA H 404 4.143 4.143 4.315 -0.172 17783 11772 1 21 . 1 1 82 82 SER C C 404 174.813 174.813 175.335 -0.522 17783 11773 1 21 . 1 1 82 82 SER CA C 404 60.751 60.751 59.901 0.850 17783 11774 1 21 . 1 1 82 82 SER CB C 404 63.287 63.287 63.202 0.085 17783 11775 1 21 . 1 1 82 82 SER H H 404 7.326 7.326 7.678 -0.352 17783 11776 1 21 . 1 1 83 83 THR N N 405 110.438 110.438 114.340 -3.902 17783 11777 1 21 . 1 1 83 83 THR HA H 405 4.461 4.461 4.345 0.116 17783 11778 1 21 . 1 1 83 83 THR C C 405 175.081 175.081 174.079 1.002 17783 11779 1 21 . 1 1 83 83 THR CA C 405 61.761 61.761 62.333 -0.572 17783 11780 1 21 . 1 1 83 83 THR CB C 405 69.795 69.795 68.328 1.467 17783 11781 1 21 . 1 1 83 83 THR H H 405 7.634 7.634 8.023 -0.389 17783 11782 1 21 . 1 1 84 84 LEU N N 406 123.244 123.244 123.198 0.046 17783 11783 1 21 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.852 -0.212 17783 11784 1 21 . 1 1 84 84 LEU C C 406 174.599 174.599 174.820 -0.221 17783 11785 1 21 . 1 1 84 84 LEU CA C 406 53.295 53.295 51.357 1.938 17783 11786 1 21 . 1 1 84 84 LEU CB C 406 40.709 40.709 42.732 -2.023 17783 11787 1 21 . 1 1 84 84 LEU H H 406 7.478 7.478 7.314 0.164 17783 11788 1 21 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.521 -0.028 17783 11789 1 21 . 1 1 85 85 PRO C C 407 177.743 177.743 177.376 0.367 17783 11790 1 21 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.447 0.698 17783 11791 1 21 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.531 0.390 17783 11792 1 21 . 1 1 86 86 ALA N N 408 128.809 128.809 123.155 5.654 17783 11793 1 21 . 1 1 86 86 ALA HA H 408 3.946 3.946 3.997 -0.051 17783 11794 1 21 . 1 1 86 86 ALA C C 408 180.517 180.517 179.397 1.120 17783 11795 1 21 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.693 0.812 17783 11796 1 21 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.862 -0.517 17783 11797 1 21 . 1 1 86 86 ALA H H 408 9.168 9.168 8.616 0.552 17783 11798 1 21 . 1 1 87 87 ASP N N 409 116.520 116.520 118.113 -1.593 17783 11799 1 21 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.357 0.105 17783 11800 1 21 . 1 1 87 87 ASP C C 409 178.081 178.081 178.578 -0.497 17783 11801 1 21 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.776 -0.841 17783 11802 1 21 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.312 0.047 17783 11803 1 21 . 1 1 87 87 ASP H H 409 9.359 9.359 8.689 0.670 17783 11804 1 21 . 1 1 88 88 VAL N N 410 117.452 117.452 118.637 -1.185 17783 11805 1 21 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.119 -0.030 17783 11806 1 21 . 1 1 88 88 VAL C C 410 178.675 178.675 178.562 0.113 17783 11807 1 21 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.697 -0.822 17783 11808 1 21 . 1 1 88 88 VAL CB C 410 31.285 31.285 31.962 -0.677 17783 11809 1 21 . 1 1 88 88 VAL H H 410 7.355 7.355 7.503 -0.148 17783 11810 1 21 . 1 1 89 89 GLN N N 411 119.387 119.387 117.368 2.019 17783 11811 1 21 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.071 -0.427 17783 11812 1 21 . 1 1 89 89 GLN C C 411 179.168 179.168 177.963 1.205 17783 11813 1 21 . 1 1 89 89 GLN CA C 411 60.712 60.712 57.965 2.747 17783 11814 1 21 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.042 0.468 17783 11815 1 21 . 1 1 89 89 GLN H H 411 8.271 8.271 8.387 -0.116 17783 11816 1 21 . 1 1 90 90 ALA N N 412 118.634 118.634 122.173 -3.539 17783 11817 1 21 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.266 -0.001 17783 11818 1 21 . 1 1 90 90 ALA C C 412 177.949 177.949 178.038 -0.089 17783 11819 1 21 . 1 1 90 90 ALA CA C 412 53.941 53.941 53.980 -0.039 17783 11820 1 21 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.692 -0.365 17783 11821 1 21 . 1 1 90 90 ALA H H 412 7.794 7.794 8.013 -0.219 17783 11822 1 21 . 1 1 91 91 LYS N N 413 115.842 115.842 117.701 -1.859 17783 11823 1 21 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.118 0.214 17783 11824 1 21 . 1 1 91 91 LYS C C 413 175.829 175.829 175.926 -0.097 17783 11825 1 21 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.667 -0.297 17783 11826 1 21 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.097 -0.613 17783 11827 1 21 . 1 1 91 91 LYS H H 413 7.398 7.398 7.667 -0.269 17783 11828 1 21 . 1 1 92 92 ASN N N 414 113.776 113.776 116.800 -3.024 17783 11829 1 21 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.575 -0.039 17783 11830 1 21 . 1 1 92 92 ASN C C 414 171.075 171.075 173.288 -2.213 17783 11831 1 21 . 1 1 92 92 ASN CA C 414 54.063 54.063 52.913 1.150 17783 11832 1 21 . 1 1 92 92 ASN CB C 414 37.081 37.081 38.417 -1.336 17783 11833 1 21 . 1 1 92 92 ASN H H 414 8.178 8.178 8.075 0.103 17783 11834 1 21 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.518 0.484 17783 11835 1 21 . 1 1 93 93 PRO C C 415 175.682 175.682 175.451 0.231 17783 11836 1 21 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.217 0.274 17783 11837 1 21 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.264 1.321 17783 11838 1 21 . 1 1 94 94 TRP N N 416 117.925 117.925 121.491 -3.566 17783 11839 1 21 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.915 0.102 17783 11840 1 21 . 1 1 94 94 TRP C C 416 173.607 173.607 174.489 -0.882 17783 11841 1 21 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.693 -0.698 17783 11842 1 21 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.468 1.039 17783 11843 1 21 . 1 1 94 94 TRP H H 416 7.921 7.921 8.354 -0.433 17783 11844 1 21 . 1 1 95 95 ALA N N 417 123.924 123.924 126.521 -2.597 17783 11845 1 21 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.140 0.615 17783 11846 1 21 . 1 1 95 95 ALA C C 417 174.171 174.171 177.008 -2.837 17783 11847 1 21 . 1 1 95 95 ALA CA C 417 51.637 51.637 51.889 -0.252 17783 11848 1 21 . 1 1 95 95 ALA CB C 417 19.468 19.468 18.868 0.600 17783 11849 1 21 . 1 1 95 95 ALA H H 417 8.878 8.878 8.335 0.543 17783 11850 1 21 . 1 1 96 96 LYS N N 418 129.441 129.441 124.366 5.075 17783 11851 1 21 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.800 0.221 17783 11852 1 21 . 1 1 96 96 LYS C C 418 173.451 173.451 174.140 -0.689 17783 11853 1 21 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.773 -0.209 17783 11854 1 21 . 1 1 96 96 LYS CB C 418 36.983 36.983 31.385 5.598 17783 11855 1 21 . 1 1 96 96 LYS H H 418 9.235 9.235 7.702 1.533 17783 11856 1 21 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.048 -0.284 17783 11857 1 21 . 1 1 97 97 PRO C C 419 178.893 178.893 178.108 0.785 17783 11858 1 21 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.753 0.142 17783 11859 1 21 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.231 0.489 17783 11860 1 21 . 1 1 98 98 LEU N N 420 126.746 126.746 123.458 3.288 17783 11861 1 21 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.862 -0.059 17783 11862 1 21 . 1 1 98 98 LEU C C 420 179.040 179.040 178.778 0.262 17783 11863 1 21 . 1 1 98 98 LEU CA C 420 57.368 57.368 57.736 -0.368 17783 11864 1 21 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.192 -1.251 17783 11865 1 21 . 1 1 98 98 LEU H H 420 9.179 9.179 8.464 0.715 17783 11866 1 21 . 1 1 99 99 ARG N N 421 118.262 118.262 118.623 -0.361 17783 11867 1 21 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.192 -0.133 17783 11868 1 21 . 1 1 99 99 ARG C C 421 178.140 178.140 177.409 0.731 17783 11869 1 21 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.139 0.954 17783 11870 1 21 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.601 0.355 17783 11871 1 21 . 1 1 99 99 ARG H H 421 8.014 8.014 8.007 0.007 17783 11872 1 21 . 1 1 100 100 GLN N N 422 116.539 116.539 117.538 -0.999 17783 11873 1 21 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.330 -0.120 17783 11874 1 21 . 1 1 100 100 GLN C C 422 177.594 177.594 177.703 -0.109 17783 11875 1 21 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.496 0.237 17783 11876 1 21 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.649 -0.471 17783 11877 1 21 . 1 1 100 100 GLN H H 422 7.258 7.258 8.088 -0.830 17783 11878 1 21 . 1 1 101 101 VAL N N 423 119.665 119.665 122.189 -2.524 17783 11879 1 21 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.679 -0.131 17783 11880 1 21 . 1 1 101 101 VAL C C 423 177.040 177.040 176.979 0.061 17783 11881 1 21 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.339 0.108 17783 11882 1 21 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.599 0.955 17783 11883 1 21 . 1 1 101 101 VAL H H 423 7.090 7.090 8.296 -1.206 17783 11884 1 21 . 1 1 102 102 GLN N N 424 115.032 115.032 117.801 -2.769 17783 11885 1 21 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.996 -0.431 17783 11886 1 21 . 1 1 102 102 GLN C C 424 177.994 177.994 176.623 1.371 17783 11887 1 21 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.917 0.966 17783 11888 1 21 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.172 -1.111 17783 11889 1 21 . 1 1 102 102 GLN H H 424 8.553 8.553 7.712 0.841 17783 11890 1 21 . 1 1 103 103 ALA N N 425 120.742 120.742 121.969 -1.227 17783 11891 1 21 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.122 0.036 17783 11892 1 21 . 1 1 103 103 ALA C C 425 178.545 178.545 178.299 0.246 17783 11893 1 21 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.537 -0.262 17783 11894 1 21 . 1 1 103 103 ALA CB C 425 18.322 18.322 19.005 -0.683 17783 11895 1 21 . 1 1 103 103 ALA H H 425 7.366 7.366 7.944 -0.578 17783 11896 1 21 . 1 1 104 104 ASP N N 426 117.066 117.066 118.920 -1.854 17783 11897 1 21 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.646 0.062 17783 11898 1 21 . 1 1 104 104 ASP C C 426 176.876 176.876 176.772 0.104 17783 11899 1 21 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.273 -0.050 17783 11900 1 21 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.710 0.790 17783 11901 1 21 . 1 1 104 104 ASP H H 426 7.628 7.628 7.791 -0.163 17783 11902 1 21 . 1 1 105 105 LEU N N 427 119.853 119.853 121.741 -1.888 17783 11903 1 21 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.148 0.151 17783 11904 1 21 . 1 1 105 105 LEU C C 427 176.118 176.118 175.259 0.859 17783 11905 1 21 . 1 1 105 105 LEU CA C 427 54.986 54.986 56.336 -1.350 17783 11906 1 21 . 1 1 105 105 LEU CB C 427 42.078 42.078 41.895 0.182 17783 11907 1 21 . 1 1 105 105 LEU H H 427 7.242 7.242 7.678 -0.436 17783 11908 1 22 . 1 1 2 2 ARG N N 324 121.883 121.883 120.673 1.210 17783 11909 1 22 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.356 -0.012 17783 11910 1 22 . 1 1 2 2 ARG C C 324 176.887 176.887 177.936 -1.049 17783 11911 1 22 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.783 -0.278 17783 11912 1 22 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.534 0.200 17783 11913 1 22 . 1 1 2 2 ARG H H 324 8.373 8.373 8.653 -0.280 17783 11914 1 22 . 1 1 3 3 GLY N N 325 111.231 111.231 106.647 4.584 17783 11915 1 22 . 1 1 3 3 GLY C C 325 174.037 174.037 174.343 -0.306 17783 11916 1 22 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.323 -0.095 17783 11917 1 22 . 1 1 3 3 GLY H H 325 8.683 8.683 8.446 0.237 17783 11918 1 22 . 1 1 4 4 SER N N 326 115.541 115.541 115.270 0.271 17783 11919 1 22 . 1 1 4 4 SER HA H 326 4.377 4.377 4.094 0.283 17783 11920 1 22 . 1 1 4 4 SER C C 326 174.454 174.454 173.371 1.083 17783 11921 1 22 . 1 1 4 4 SER CA C 326 58.315 58.315 59.508 -1.193 17783 11922 1 22 . 1 1 4 4 SER CB C 326 63.902 63.902 62.204 1.698 17783 11923 1 22 . 1 1 4 4 SER H H 326 8.237 8.237 8.029 0.208 17783 11924 1 22 . 1 1 10 10 HIS HA H 332 4.580 4.580 3.966 0.614 17783 11925 1 22 . 1 1 10 10 HIS C C 332 175.292 175.292 173.946 1.346 17783 11926 1 22 . 1 1 10 10 HIS CA C 332 55.946 55.946 55.791 0.155 17783 11927 1 22 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.176 0.947 17783 11928 1 22 . 1 1 11 11 GLY N N 333 110.527 110.527 108.412 2.115 17783 11929 1 22 . 1 1 11 11 GLY C C 333 174.126 174.126 173.496 0.630 17783 11930 1 22 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.664 0.663 17783 11931 1 22 . 1 1 11 11 GLY H H 333 8.540 8.540 8.224 0.316 17783 11932 1 22 . 1 1 12 12 SER N N 334 115.752 115.752 113.003 2.749 17783 11933 1 22 . 1 1 12 12 SER HA H 334 4.436 4.436 3.758 0.678 17783 11934 1 22 . 1 1 12 12 SER C C 334 174.538 174.538 174.154 0.384 17783 11935 1 22 . 1 1 12 12 SER CA C 334 58.486 58.486 58.004 0.482 17783 11936 1 22 . 1 1 12 12 SER CB C 334 63.927 63.927 62.668 1.259 17783 11937 1 22 . 1 1 12 12 SER H H 334 8.356 8.356 7.547 0.809 17783 11938 1 22 . 1 1 13 13 ASN N N 335 120.410 120.410 122.826 -2.416 17783 11939 1 22 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.611 0.118 17783 11940 1 22 . 1 1 13 13 ASN C C 335 175.116 175.116 174.946 0.170 17783 11941 1 22 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.484 -0.098 17783 11942 1 22 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.888 -0.220 17783 11943 1 22 . 1 1 13 13 ASN H H 335 8.575 8.575 8.371 0.204 17783 11944 1 22 . 1 1 14 14 ASN N N 336 119.094 119.094 118.895 0.199 17783 11945 1 22 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.145 0.584 17783 11946 1 22 . 1 1 14 14 ASN C C 336 175.395 175.395 173.583 1.812 17783 11947 1 22 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.657 -0.272 17783 11948 1 22 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.103 0.566 17783 11949 1 22 . 1 1 14 14 ASN H H 336 8.447 8.447 8.655 -0.208 17783 11950 1 22 . 1 1 15 15 ASN N N 337 118.915 118.915 122.391 -3.476 17783 11951 1 22 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.723 -0.189 17783 11952 1 22 . 1 1 15 15 ASN C C 337 176.390 176.390 175.125 1.265 17783 11953 1 22 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.268 0.723 17783 11954 1 22 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.434 -0.814 17783 11955 1 22 . 1 1 15 15 ASN H H 337 8.446 8.446 8.231 0.215 17783 11956 1 22 . 1 1 16 16 GLY N N 338 108.851 108.851 112.004 -3.153 17783 11957 1 22 . 1 1 16 16 GLY C C 338 175.459 175.459 175.190 0.269 17783 11958 1 22 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.595 1.157 17783 11959 1 22 . 1 1 16 16 GLY H H 338 8.454 8.454 8.542 -0.088 17783 11960 1 22 . 1 1 17 17 SER N N 339 116.218 116.218 115.285 0.933 17783 11961 1 22 . 1 1 17 17 SER HA H 339 4.229 4.229 4.441 -0.212 17783 11962 1 22 . 1 1 17 17 SER C C 339 175.869 175.869 175.118 0.751 17783 11963 1 22 . 1 1 17 17 SER CA C 339 59.759 59.759 59.037 0.722 17783 11964 1 22 . 1 1 17 17 SER CB C 339 62.973 62.973 63.149 -0.176 17783 11965 1 22 . 1 1 17 17 SER H H 339 8.170 8.170 8.017 0.153 17783 11966 1 22 . 1 1 18 18 LEU N N 340 121.515 121.515 121.691 -0.176 17783 11967 1 22 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.076 -0.074 17783 11968 1 22 . 1 1 18 18 LEU C C 340 178.399 178.399 178.642 -0.243 17783 11969 1 22 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.886 0.265 17783 11970 1 22 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.688 0.388 17783 11971 1 22 . 1 1 18 18 LEU H H 340 7.790 7.790 7.847 -0.057 17783 11972 1 22 . 1 1 19 19 LYS N N 341 117.145 117.145 120.766 -3.621 17783 11973 1 22 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.058 -0.250 17783 11974 1 22 . 1 1 19 19 LYS C C 341 176.960 176.960 178.689 -1.729 17783 11975 1 22 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.994 0.198 17783 11976 1 22 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.341 0.452 17783 11977 1 22 . 1 1 19 19 LYS H H 341 7.893 7.893 7.417 0.476 17783 11978 1 22 . 1 1 20 20 SER N N 342 110.377 110.377 115.876 -5.499 17783 11979 1 22 . 1 1 20 20 SER HA H 342 4.369 4.369 4.443 -0.074 17783 11980 1 22 . 1 1 20 20 SER C C 342 173.735 173.735 173.361 0.374 17783 11981 1 22 . 1 1 20 20 SER CA C 342 58.141 58.141 58.411 -0.270 17783 11982 1 22 . 1 1 20 20 SER CB C 342 63.900 63.900 61.925 1.974 17783 11983 1 22 . 1 1 20 20 SER H H 342 7.546 7.546 8.429 -0.883 17783 11984 1 22 . 1 1 21 21 ALA N N 343 125.662 125.662 125.561 0.101 17783 11985 1 22 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.514 -0.152 17783 11986 1 22 . 1 1 21 21 ALA C C 343 174.051 174.051 175.435 -1.384 17783 11987 1 22 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.513 1.059 17783 11988 1 22 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.835 -0.701 17783 11989 1 22 . 1 1 21 21 ALA H H 343 6.852 6.852 7.413 -0.561 17783 11990 1 22 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.370 -0.132 17783 11991 1 22 . 1 1 22 22 PRO C C 344 178.184 178.184 176.191 1.993 17783 11992 1 22 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.804 0.278 17783 11993 1 22 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.638 0.966 17783 11994 1 22 . 1 1 23 23 SER N N 345 118.662 118.662 118.402 0.260 17783 11995 1 22 . 1 1 23 23 SER HA H 345 3.825 3.825 4.126 -0.301 17783 11996 1 22 . 1 1 23 23 SER C C 345 174.231 174.231 174.984 -0.753 17783 11997 1 22 . 1 1 23 23 SER CA C 345 60.892 60.892 58.908 1.984 17783 11998 1 22 . 1 1 23 23 SER CB C 345 63.223 63.223 63.129 0.094 17783 11999 1 22 . 1 1 23 23 SER H H 345 8.566 8.566 7.988 0.578 17783 12000 1 22 . 1 1 24 24 SER N N 346 111.938 111.938 114.585 -2.647 17783 12001 1 22 . 1 1 24 24 SER HA H 346 4.383 4.383 4.360 0.023 17783 12002 1 22 . 1 1 24 24 SER C C 346 175.152 175.152 174.590 0.562 17783 12003 1 22 . 1 1 24 24 SER CA C 346 58.247 58.247 59.292 -1.045 17783 12004 1 22 . 1 1 24 24 SER CB C 346 63.958 63.958 63.055 0.903 17783 12005 1 22 . 1 1 24 24 SER H H 346 7.675 7.675 8.249 -0.574 17783 12006 1 22 . 1 1 25 25 HIS N N 347 122.882 122.882 119.417 3.465 17783 12007 1 22 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.690 0.160 17783 12008 1 22 . 1 1 25 25 HIS C C 347 173.574 173.574 174.354 -0.780 17783 12009 1 22 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.354 0.721 17783 12010 1 22 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.954 0.894 17783 12011 1 22 . 1 1 25 25 HIS H H 347 7.628 7.628 7.218 0.410 17783 12012 1 22 . 1 1 26 26 TYR N N 348 117.921 117.921 119.434 -1.513 17783 12013 1 22 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.615 0.374 17783 12014 1 22 . 1 1 26 26 TYR C C 348 174.086 174.086 174.955 -0.869 17783 12015 1 22 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.210 0.977 17783 12016 1 22 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.044 1.790 17783 12017 1 22 . 1 1 26 26 TYR H H 348 9.606 9.606 8.764 0.842 17783 12018 1 22 . 1 1 27 27 THR N N 349 115.914 115.914 113.426 2.488 17783 12019 1 22 . 1 1 27 27 THR HA H 349 5.027 5.027 4.755 0.272 17783 12020 1 22 . 1 1 27 27 THR C C 349 172.904 172.904 173.607 -0.703 17783 12021 1 22 . 1 1 27 27 THR CA C 349 58.835 58.835 61.321 -2.486 17783 12022 1 22 . 1 1 27 27 THR CB C 349 70.587 70.587 69.642 0.945 17783 12023 1 22 . 1 1 27 27 THR H H 349 8.974 8.974 8.428 0.546 17783 12024 1 22 . 1 1 28 28 LEU N N 350 123.392 123.392 124.782 -1.390 17783 12025 1 22 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.081 0.908 17783 12026 1 22 . 1 1 28 28 LEU C C 350 176.111 176.111 175.774 0.337 17783 12027 1 22 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.315 -2.217 17783 12028 1 22 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.274 2.596 17783 12029 1 22 . 1 1 28 28 LEU H H 350 8.249 8.249 8.065 0.184 17783 12030 1 22 . 1 1 29 29 GLN N N 351 122.797 122.797 118.845 3.952 17783 12031 1 22 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.744 -0.191 17783 12032 1 22 . 1 1 29 29 GLN C C 351 175.435 175.435 175.951 -0.516 17783 12033 1 22 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.902 1.041 17783 12034 1 22 . 1 1 29 29 GLN CB C 351 27.231 27.231 29.999 -2.768 17783 12035 1 22 . 1 1 29 29 GLN H H 351 8.915 8.915 8.395 0.520 17783 12036 1 22 . 1 1 30 30 LEU N N 352 125.239 125.239 123.387 1.852 17783 12037 1 22 . 1 1 30 30 LEU HA H 352 4.367 4.367 5.073 -0.706 17783 12038 1 22 . 1 1 30 30 LEU C C 352 177.250 177.250 175.717 1.533 17783 12039 1 22 . 1 1 30 30 LEU CA C 352 56.101 56.101 54.236 1.865 17783 12040 1 22 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.557 0.543 17783 12041 1 22 . 1 1 30 30 LEU H H 352 8.920 8.920 7.959 0.961 17783 12042 1 22 . 1 1 31 31 SER N N 353 106.816 106.816 114.533 -7.717 17783 12043 1 22 . 1 1 31 31 SER HA H 353 4.493 4.493 4.934 -0.441 17783 12044 1 22 . 1 1 31 31 SER C C 353 171.831 171.831 172.746 -0.915 17783 12045 1 22 . 1 1 31 31 SER CA C 353 57.160 57.160 57.902 -0.742 17783 12046 1 22 . 1 1 31 31 SER CB C 353 64.360 64.360 66.455 -2.095 17783 12047 1 22 . 1 1 31 31 SER H H 353 7.548 7.548 7.996 -0.448 17783 12048 1 22 . 1 1 32 32 SER N N 354 113.518 113.518 117.383 -3.865 17783 12049 1 22 . 1 1 32 32 SER HA H 354 5.026 5.026 4.322 0.704 17783 12050 1 22 . 1 1 32 32 SER C C 354 172.512 172.512 172.249 0.263 17783 12051 1 22 . 1 1 32 32 SER CA C 354 57.285 57.285 57.629 -0.344 17783 12052 1 22 . 1 1 32 32 SER CB C 354 65.347 65.347 65.757 -0.410 17783 12053 1 22 . 1 1 32 32 SER H H 354 8.127 8.127 8.264 -0.137 17783 12054 1 22 . 1 1 33 33 SER N N 355 114.624 114.624 116.003 -1.379 17783 12055 1 22 . 1 1 33 33 SER HA H 355 4.106 4.106 4.232 -0.126 17783 12056 1 22 . 1 1 33 33 SER C C 355 171.639 171.639 171.897 -0.258 17783 12057 1 22 . 1 1 33 33 SER CA C 355 57.276 57.276 57.682 -0.406 17783 12058 1 22 . 1 1 33 33 SER CB C 355 64.539 64.539 63.628 0.911 17783 12059 1 22 . 1 1 33 33 SER H H 355 8.616 8.616 6.970 1.646 17783 12060 1 22 . 1 1 34 34 SER N N 356 116.467 116.467 116.332 0.135 17783 12061 1 22 . 1 1 34 34 SER HA H 356 4.241 4.241 4.967 -0.726 17783 12062 1 22 . 1 1 34 34 SER C C 356 173.820 173.820 173.410 0.410 17783 12063 1 22 . 1 1 34 34 SER CA C 356 59.074 59.074 57.761 1.313 17783 12064 1 22 . 1 1 34 34 SER CB C 356 63.741 63.741 62.986 0.755 17783 12065 1 22 . 1 1 34 34 SER H H 356 8.132 8.132 8.509 -0.377 17783 12066 1 22 . 1 1 35 35 ASN N N 357 122.206 122.206 119.162 3.044 17783 12067 1 22 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.155 -0.234 17783 12068 1 22 . 1 1 35 35 ASN C C 357 172.965 172.965 173.877 -0.912 17783 12069 1 22 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.667 -1.220 17783 12070 1 22 . 1 1 35 35 ASN CB C 357 40.925 40.925 41.150 -0.225 17783 12071 1 22 . 1 1 35 35 ASN H H 357 8.511 8.511 7.989 0.522 17783 12072 1 22 . 1 1 36 36 TYR N N 358 127.519 127.519 124.735 2.784 17783 12073 1 22 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.721 -0.749 17783 12074 1 22 . 1 1 36 36 TYR C C 358 176.522 176.522 176.223 0.299 17783 12075 1 22 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.383 -0.414 17783 12076 1 22 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.528 -0.817 17783 12077 1 22 . 1 1 36 36 TYR H H 358 8.002 8.002 9.067 -1.065 17783 12078 1 22 . 1 1 37 37 ASP N N 359 118.658 118.658 119.749 -1.091 17783 12079 1 22 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.347 -0.203 17783 12080 1 22 . 1 1 37 37 ASP C C 359 179.804 179.804 178.486 1.318 17783 12081 1 22 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.662 -0.159 17783 12082 1 22 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.398 -0.220 17783 12083 1 22 . 1 1 37 37 ASP H H 359 8.033 8.033 8.665 -0.632 17783 12084 1 22 . 1 1 38 38 ASN N N 360 119.802 119.802 117.334 2.468 17783 12085 1 22 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.491 -0.188 17783 12086 1 22 . 1 1 38 38 ASN C C 360 177.720 177.720 177.947 -0.227 17783 12087 1 22 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.846 -0.396 17783 12088 1 22 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.213 -0.450 17783 12089 1 22 . 1 1 38 38 ASN H H 360 8.380 8.380 8.499 -0.119 17783 12090 1 22 . 1 1 39 39 LEU N N 361 121.625 121.625 121.450 0.175 17783 12091 1 22 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.203 -0.106 17783 12092 1 22 . 1 1 39 39 LEU C C 361 177.738 177.738 177.923 -0.185 17783 12093 1 22 . 1 1 39 39 LEU CA C 361 57.565 57.565 57.703 -0.138 17783 12094 1 22 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.706 1.022 17783 12095 1 22 . 1 1 39 39 LEU H H 361 7.243 7.243 7.645 -0.402 17783 12096 1 22 . 1 1 40 40 ASN N N 362 116.601 116.601 117.343 -0.742 17783 12097 1 22 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.191 -0.046 17783 12098 1 22 . 1 1 40 40 ASN C C 362 177.253 177.253 177.498 -0.245 17783 12099 1 22 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.470 0.057 17783 12100 1 22 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.259 1.067 17783 12101 1 22 . 1 1 40 40 ASN H H 362 8.284 8.284 8.494 -0.210 17783 12102 1 22 . 1 1 41 41 GLY N N 363 104.958 104.958 106.714 -1.756 17783 12103 1 22 . 1 1 41 41 GLY C C 363 176.323 176.323 175.791 0.532 17783 12104 1 22 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.898 -0.059 17783 12105 1 22 . 1 1 41 41 GLY H H 363 8.334 8.334 8.161 0.173 17783 12106 1 22 . 1 1 42 42 TRP N N 364 125.066 125.066 123.844 1.222 17783 12107 1 22 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.456 -0.230 17783 12108 1 22 . 1 1 42 42 TRP C C 364 176.509 176.509 177.457 -0.948 17783 12109 1 22 . 1 1 42 42 TRP CA C 364 61.489 61.489 59.940 1.549 17783 12110 1 22 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.851 -1.975 17783 12111 1 22 . 1 1 42 42 TRP H H 364 7.833 7.833 7.907 -0.074 17783 12112 1 22 . 1 1 43 43 ALA N N 365 120.030 120.030 121.128 -1.098 17783 12113 1 22 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.385 -0.391 17783 12114 1 22 . 1 1 43 43 ALA C C 365 179.186 179.186 179.176 0.010 17783 12115 1 22 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.159 -0.158 17783 12116 1 22 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.164 -1.076 17783 12117 1 22 . 1 1 43 43 ALA H H 365 7.701 7.701 8.852 -1.151 17783 12118 1 22 . 1 1 44 44 LYS N N 366 115.064 115.064 114.921 0.143 17783 12119 1 22 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.233 -0.200 17783 12120 1 22 . 1 1 44 44 LYS C C 366 180.830 180.830 178.254 2.576 17783 12121 1 22 . 1 1 44 44 LYS CA C 366 58.991 58.991 57.017 1.974 17783 12122 1 22 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.322 0.028 17783 12123 1 22 . 1 1 44 44 LYS H H 366 7.562 7.562 7.563 -0.001 17783 12124 1 22 . 1 1 45 45 LYS N N 367 123.180 123.180 120.827 2.353 17783 12125 1 22 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.000 -0.093 17783 12126 1 22 . 1 1 45 45 LYS C C 367 178.319 178.319 178.065 0.254 17783 12127 1 22 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.881 0.163 17783 12128 1 22 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.158 -0.092 17783 12129 1 22 . 1 1 45 45 LYS H H 367 8.067 8.067 7.914 0.153 17783 12130 1 22 . 1 1 46 46 GLU N N 368 114.882 114.882 115.015 -0.133 17783 12131 1 22 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.075 -0.158 17783 12132 1 22 . 1 1 46 46 GLU C C 368 174.639 174.639 175.708 -1.069 17783 12133 1 22 . 1 1 46 46 GLU CA C 368 55.016 55.016 57.057 -2.041 17783 12134 1 22 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.339 -1.662 17783 12135 1 22 . 1 1 46 46 GLU H H 368 7.488 7.488 7.272 0.216 17783 12136 1 22 . 1 1 47 47 ASN N N 369 114.944 114.944 114.947 -0.003 17783 12137 1 22 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.265 0.007 17783 12138 1 22 . 1 1 47 47 ASN C C 369 174.759 174.759 175.094 -0.335 17783 12139 1 22 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.572 0.132 17783 12140 1 22 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.927 0.132 17783 12141 1 22 . 1 1 47 47 ASN H H 369 7.772 7.772 7.915 -0.143 17783 12142 1 22 . 1 1 48 48 LEU N N 370 116.008 116.008 117.232 -1.224 17783 12143 1 22 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.898 0.222 17783 12144 1 22 . 1 1 48 48 LEU C C 370 177.056 177.056 176.240 0.816 17783 12145 1 22 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.286 -0.168 17783 12146 1 22 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.240 0.677 17783 12147 1 22 . 1 1 48 48 LEU H H 370 7.463 7.463 6.962 0.501 17783 12148 1 22 . 1 1 49 49 LYS N N 371 120.012 120.012 123.851 -3.839 17783 12149 1 22 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.365 0.195 17783 12150 1 22 . 1 1 49 49 LYS C C 371 176.481 176.481 176.575 -0.094 17783 12151 1 22 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.924 -0.595 17783 12152 1 22 . 1 1 49 49 LYS CB C 371 34.555 34.555 32.935 1.620 17783 12153 1 22 . 1 1 49 49 LYS H H 371 8.518 8.518 8.154 0.364 17783 12154 1 22 . 1 1 50 50 ASN N N 372 117.610 117.610 121.309 -3.699 17783 12155 1 22 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.408 0.106 17783 12156 1 22 . 1 1 50 50 ASN C C 372 173.445 173.445 173.231 0.214 17783 12157 1 22 . 1 1 50 50 ASN CA C 372 53.437 53.437 53.854 -0.417 17783 12158 1 22 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.716 -0.784 17783 12159 1 22 . 1 1 50 50 ASN H H 372 8.734 8.734 8.919 -0.185 17783 12160 1 22 . 1 1 51 51 TYR N N 373 117.151 117.151 117.259 -0.108 17783 12161 1 22 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.989 0.406 17783 12162 1 22 . 1 1 51 51 TYR C C 373 173.549 173.549 173.435 0.114 17783 12163 1 22 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.989 -0.206 17783 12164 1 22 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.190 0.221 17783 12165 1 22 . 1 1 51 51 TYR H H 373 7.570 7.570 7.666 -0.096 17783 12166 1 22 . 1 1 52 52 VAL N N 374 120.887 120.887 122.728 -1.841 17783 12167 1 22 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.285 0.013 17783 12168 1 22 . 1 1 52 52 VAL C C 374 174.289 174.289 174.293 -0.004 17783 12169 1 22 . 1 1 52 52 VAL CA C 374 61.714 61.714 60.806 0.908 17783 12170 1 22 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.797 1.787 17783 12171 1 22 . 1 1 52 52 VAL H H 374 9.140 9.140 8.742 0.398 17783 12172 1 22 . 1 1 53 53 VAL N N 375 126.060 126.060 127.612 -1.552 17783 12173 1 22 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.365 1.050 17783 12174 1 22 . 1 1 53 53 VAL C C 375 175.803 175.803 175.436 0.367 17783 12175 1 22 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.448 -1.792 17783 12176 1 22 . 1 1 53 53 VAL CB C 375 32.736 32.736 32.340 0.396 17783 12177 1 22 . 1 1 53 53 VAL H H 375 8.600 8.600 8.463 0.137 17783 12178 1 22 . 1 1 54 54 TYR N N 376 125.706 125.706 123.919 1.787 17783 12179 1 22 . 1 1 54 54 TYR HA H 376 5.422 5.422 4.916 0.506 17783 12180 1 22 . 1 1 54 54 TYR C C 376 172.139 172.139 173.483 -1.344 17783 12181 1 22 . 1 1 54 54 TYR CA C 376 55.129 55.129 56.159 -1.030 17783 12182 1 22 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.393 1.264 17783 12183 1 22 . 1 1 54 54 TYR H H 376 9.292 9.292 8.356 0.936 17783 12184 1 22 . 1 1 55 55 GLU N N 377 122.063 122.063 119.865 2.198 17783 12185 1 22 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.265 0.449 17783 12186 1 22 . 1 1 55 55 GLU C C 377 175.011 175.011 174.948 0.063 17783 12187 1 22 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.289 -0.146 17783 12188 1 22 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.825 1.834 17783 12189 1 22 . 1 1 55 55 GLU H H 377 8.758 8.758 8.491 0.267 17783 12190 1 22 . 1 1 56 56 THR N N 378 122.855 122.855 117.321 5.534 17783 12191 1 22 . 1 1 56 56 THR HA H 378 4.848 4.848 4.468 0.380 17783 12192 1 22 . 1 1 56 56 THR C C 378 173.550 173.550 172.413 1.137 17783 12193 1 22 . 1 1 56 56 THR CA C 378 58.732 58.732 60.926 -2.194 17783 12194 1 22 . 1 1 56 56 THR CB C 378 70.181 70.181 69.498 0.683 17783 12195 1 22 . 1 1 56 56 THR H H 378 9.160 9.160 8.052 1.108 17783 12196 1 22 . 1 1 57 57 THR N N 379 116.629 116.629 114.318 2.311 17783 12197 1 22 . 1 1 57 57 THR HA H 379 5.145 5.145 4.614 0.531 17783 12198 1 22 . 1 1 57 57 THR C C 379 173.973 173.973 173.155 0.818 17783 12199 1 22 . 1 1 57 57 THR CA C 379 60.517 60.517 61.361 -0.844 17783 12200 1 22 . 1 1 57 57 THR CB C 379 71.582 71.582 69.960 1.622 17783 12201 1 22 . 1 1 57 57 THR H H 379 8.677 8.677 8.311 0.366 17783 12202 1 22 . 1 1 58 58 ARG N N 380 124.546 124.546 126.624 -2.078 17783 12203 1 22 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.583 -0.275 17783 12204 1 22 . 1 1 58 58 ARG C C 380 176.074 176.074 175.640 0.434 17783 12205 1 22 . 1 1 58 58 ARG CA C 380 55.510 55.510 55.627 -0.117 17783 12206 1 22 . 1 1 58 58 ARG CB C 380 32.473 32.473 33.694 -1.221 17783 12207 1 22 . 1 1 58 58 ARG H H 380 9.117 9.117 8.047 1.070 17783 12208 1 22 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.482 -0.176 17783 12209 1 22 . 1 1 59 59 ASN C C 381 175.444 175.444 175.373 0.071 17783 12210 1 22 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.390 0.847 17783 12211 1 22 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.458 -0.245 17783 12212 1 22 . 1 1 60 60 GLY N N 382 103.015 103.015 104.444 -1.429 17783 12213 1 22 . 1 1 60 60 GLY C C 382 173.488 173.488 173.731 -0.243 17783 12214 1 22 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.581 -0.108 17783 12215 1 22 . 1 1 60 60 GLY H H 382 8.639 8.639 8.590 0.049 17783 12216 1 22 . 1 1 61 61 GLN N N 383 119.903 119.903 118.559 1.344 17783 12217 1 22 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.589 0.411 17783 12218 1 22 . 1 1 61 61 GLN C C 383 172.730 172.730 173.567 -0.837 17783 12219 1 22 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.545 0.146 17783 12220 1 22 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.742 -0.031 17783 12221 1 22 . 1 1 61 61 GLN H H 383 7.697 7.697 7.486 0.211 17783 12222 1 22 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.320 0.294 17783 12223 1 22 . 1 1 62 62 PRO C C 384 175.576 175.576 175.295 0.281 17783 12224 1 22 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.170 0.832 17783 12225 1 22 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.541 1.004 17783 12226 1 22 . 1 1 63 63 TRP N N 385 126.621 126.621 124.382 2.239 17783 12227 1 22 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.727 -0.216 17783 12228 1 22 . 1 1 63 63 TRP C C 385 172.096 172.096 173.426 -1.330 17783 12229 1 22 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.514 0.568 17783 12230 1 22 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.782 1.392 17783 12231 1 22 . 1 1 63 63 TRP H H 385 8.063 8.063 7.608 0.455 17783 12232 1 22 . 1 1 64 64 TYR N N 386 124.129 124.129 123.450 0.679 17783 12233 1 22 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.109 1.109 17783 12234 1 22 . 1 1 64 64 TYR C C 386 173.544 173.544 173.887 -0.343 17783 12235 1 22 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.002 0.767 17783 12236 1 22 . 1 1 64 64 TYR CB C 386 40.433 40.433 36.529 3.904 17783 12237 1 22 . 1 1 64 64 TYR H H 386 7.954 7.954 7.833 0.121 17783 12238 1 22 . 1 1 65 65 VAL N N 387 121.167 121.167 122.388 -1.221 17783 12239 1 22 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.127 -0.264 17783 12240 1 22 . 1 1 65 65 VAL C C 387 172.675 172.675 174.914 -2.239 17783 12241 1 22 . 1 1 65 65 VAL CA C 387 61.257 61.257 61.755 -0.498 17783 12242 1 22 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.084 1.049 17783 12243 1 22 . 1 1 65 65 VAL H H 387 8.409 8.409 7.259 1.150 17783 12244 1 22 . 1 1 66 66 LEU N N 388 127.479 127.479 129.165 -1.686 17783 12245 1 22 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.743 0.680 17783 12246 1 22 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.343 0.153 17783 12247 1 22 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.051 1.704 17783 12248 1 22 . 1 1 66 66 LEU H H 388 8.200 8.200 9.338 -1.138 17783 12249 1 22 . 1 1 67 67 VAL N N 389 120.778 120.778 115.426 5.352 17783 12250 1 22 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.818 1.022 17783 12251 1 22 . 1 1 67 67 VAL C C 389 174.934 174.934 175.868 -0.934 17783 12252 1 22 . 1 1 67 67 VAL CA C 389 57.827 57.827 59.784 -1.957 17783 12253 1 22 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.794 -1.101 17783 12254 1 22 . 1 1 67 67 VAL H H 389 9.314 9.314 8.169 1.145 17783 12255 1 22 . 1 1 68 68 SER N N 390 113.588 113.588 120.526 -6.938 17783 12256 1 22 . 1 1 68 68 SER HA H 390 4.850 4.850 4.550 0.300 17783 12257 1 22 . 1 1 68 68 SER C C 390 174.691 174.691 175.454 -0.763 17783 12258 1 22 . 1 1 68 68 SER CA C 390 58.213 58.213 57.725 0.488 17783 12259 1 22 . 1 1 68 68 SER CB C 390 66.007 66.007 62.298 3.709 17783 12260 1 22 . 1 1 68 68 SER H H 390 8.803 8.803 8.748 0.055 17783 12261 1 22 . 1 1 69 69 GLY N N 391 115.161 115.161 114.901 0.260 17783 12262 1 22 . 1 1 69 69 GLY C C 391 172.208 172.208 173.639 -1.431 17783 12263 1 22 . 1 1 69 69 GLY CA C 391 44.325 44.325 46.607 -2.282 17783 12264 1 22 . 1 1 69 69 GLY H H 391 8.436 8.436 8.327 0.109 17783 12265 1 22 . 1 1 70 70 VAL N N 392 117.033 117.033 119.674 -2.641 17783 12266 1 22 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.432 0.048 17783 12267 1 22 . 1 1 70 70 VAL C C 392 174.635 174.635 174.714 -0.079 17783 12268 1 22 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.174 1.029 17783 12269 1 22 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.193 0.044 17783 12270 1 22 . 1 1 70 70 VAL H H 392 7.188 7.188 7.479 -0.291 17783 12271 1 22 . 1 1 71 71 TYR N N 393 124.867 124.867 127.307 -2.440 17783 12272 1 22 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.584 0.217 17783 12273 1 22 . 1 1 71 71 TYR C C 393 175.550 175.550 176.165 -0.615 17783 12274 1 22 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.776 -1.491 17783 12275 1 22 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.426 3.117 17783 12276 1 22 . 1 1 71 71 TYR H H 393 9.517 9.517 8.312 1.205 17783 12277 1 22 . 1 1 72 72 ALA N N 394 124.217 124.217 120.208 4.009 17783 12278 1 22 . 1 1 72 72 ALA HA H 394 2.771 2.771 4.345 -1.574 17783 12279 1 22 . 1 1 72 72 ALA C C 394 175.911 175.911 175.973 -0.062 17783 12280 1 22 . 1 1 72 72 ALA CA C 394 53.257 53.257 52.391 0.866 17783 12281 1 22 . 1 1 72 72 ALA CB C 394 19.021 19.021 20.173 -1.152 17783 12282 1 22 . 1 1 72 72 ALA H H 394 8.984 8.984 8.344 0.640 17783 12283 1 22 . 1 1 73 73 SER N N 395 106.325 106.325 110.899 -4.574 17783 12284 1 22 . 1 1 73 73 SER HA H 395 4.769 4.769 4.603 0.166 17783 12285 1 22 . 1 1 73 73 SER C C 395 173.686 173.686 173.983 -0.297 17783 12286 1 22 . 1 1 73 73 SER CA C 395 56.031 56.031 57.264 -1.233 17783 12287 1 22 . 1 1 73 73 SER CB C 395 66.773 66.773 64.210 2.563 17783 12288 1 22 . 1 1 73 73 SER H H 395 7.251 7.251 7.582 -0.331 17783 12289 1 22 . 1 1 74 74 LYS N N 396 123.531 123.531 120.632 2.899 17783 12290 1 22 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.862 -0.968 17783 12291 1 22 . 1 1 74 74 LYS C C 396 178.040 178.040 177.764 0.276 17783 12292 1 22 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.403 2.140 17783 12293 1 22 . 1 1 74 74 LYS CB C 396 31.636 31.636 32.277 -0.641 17783 12294 1 22 . 1 1 74 74 LYS H H 396 8.742 8.742 8.561 0.181 17783 12295 1 22 . 1 1 75 75 GLU N N 397 118.740 118.740 118.385 0.355 17783 12296 1 22 . 1 1 75 75 GLU HA H 397 3.814 3.814 4.004 -0.190 17783 12297 1 22 . 1 1 75 75 GLU C C 397 179.136 179.136 178.607 0.529 17783 12298 1 22 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.104 0.973 17783 12299 1 22 . 1 1 75 75 GLU CB C 397 28.748 28.748 28.910 -0.162 17783 12300 1 22 . 1 1 75 75 GLU H H 397 8.529 8.529 8.350 0.179 17783 12301 1 22 . 1 1 76 76 GLU N N 398 119.987 119.987 120.033 -0.046 17783 12302 1 22 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.075 -0.240 17783 12303 1 22 . 1 1 76 76 GLU C C 398 178.564 178.564 178.563 0.001 17783 12304 1 22 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.623 0.739 17783 12305 1 22 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.471 0.960 17783 12306 1 22 . 1 1 76 76 GLU H H 398 7.804 7.804 8.140 -0.336 17783 12307 1 22 . 1 1 77 77 ALA N N 399 122.630 122.630 121.676 0.954 17783 12308 1 22 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.982 -1.394 17783 12309 1 22 . 1 1 77 77 ALA C C 399 177.764 177.764 179.225 -1.461 17783 12310 1 22 . 1 1 77 77 ALA CA C 399 54.361 54.361 55.048 -0.687 17783 12311 1 22 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.186 -0.521 17783 12312 1 22 . 1 1 77 77 ALA H H 399 7.294 7.294 7.739 -0.445 17783 12313 1 22 . 1 1 78 78 LYS N N 400 115.403 115.403 117.033 -1.630 17783 12314 1 22 . 1 1 78 78 LYS HA H 400 3.770 3.770 4.105 -0.335 17783 12315 1 22 . 1 1 78 78 LYS C C 400 180.700 180.700 178.253 2.447 17783 12316 1 22 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.695 0.847 17783 12317 1 22 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.480 -0.647 17783 12318 1 22 . 1 1 78 78 LYS H H 400 8.001 8.001 7.654 0.347 17783 12319 1 22 . 1 1 79 79 LYS N N 401 119.756 119.756 118.001 1.755 17783 12320 1 22 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.316 -0.347 17783 12321 1 22 . 1 1 79 79 LYS C C 401 178.347 178.347 177.455 0.892 17783 12322 1 22 . 1 1 79 79 LYS CA C 401 58.976 58.976 57.702 1.274 17783 12323 1 22 . 1 1 79 79 LYS CB C 401 32.298 32.298 33.054 -0.756 17783 12324 1 22 . 1 1 79 79 LYS H H 401 7.788 7.788 7.460 0.328 17783 12325 1 22 . 1 1 80 80 ALA N N 402 120.725 120.725 122.340 -1.615 17783 12326 1 22 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.343 -0.200 17783 12327 1 22 . 1 1 80 80 ALA C C 402 180.118 180.118 179.710 0.408 17783 12328 1 22 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.361 -0.589 17783 12329 1 22 . 1 1 80 80 ALA CB C 402 18.469 18.469 18.588 -0.119 17783 12330 1 22 . 1 1 80 80 ALA H H 402 7.334 7.334 8.053 -0.719 17783 12331 1 22 . 1 1 81 81 VAL N N 403 120.431 120.431 119.098 1.333 17783 12332 1 22 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.749 -0.387 17783 12333 1 22 . 1 1 81 81 VAL C C 403 177.205 177.205 177.621 -0.416 17783 12334 1 22 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.208 1.520 17783 12335 1 22 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.063 0.670 17783 12336 1 22 . 1 1 81 81 VAL H H 403 7.480 7.480 7.709 -0.229 17783 12337 1 22 . 1 1 82 82 SER N N 404 110.126 110.126 112.800 -2.674 17783 12338 1 22 . 1 1 82 82 SER HA H 404 4.143 4.143 4.236 -0.093 17783 12339 1 22 . 1 1 82 82 SER C C 404 174.813 174.813 175.224 -0.411 17783 12340 1 22 . 1 1 82 82 SER CA C 404 60.751 60.751 60.990 -0.239 17783 12341 1 22 . 1 1 82 82 SER CB C 404 63.287 63.287 63.283 0.004 17783 12342 1 22 . 1 1 82 82 SER H H 404 7.326 7.326 7.758 -0.432 17783 12343 1 22 . 1 1 83 83 THR N N 405 110.438 110.438 112.424 -1.986 17783 12344 1 22 . 1 1 83 83 THR HA H 405 4.461 4.461 4.065 0.396 17783 12345 1 22 . 1 1 83 83 THR C C 405 175.081 175.081 175.215 -0.134 17783 12346 1 22 . 1 1 83 83 THR CA C 405 61.761 61.761 63.555 -1.794 17783 12347 1 22 . 1 1 83 83 THR CB C 405 69.795 69.795 69.024 0.771 17783 12348 1 22 . 1 1 83 83 THR H H 405 7.634 7.634 7.597 0.037 17783 12349 1 22 . 1 1 84 84 LEU N N 406 123.244 123.244 122.922 0.322 17783 12350 1 22 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.591 0.049 17783 12351 1 22 . 1 1 84 84 LEU C C 406 174.599 174.599 175.185 -0.586 17783 12352 1 22 . 1 1 84 84 LEU CA C 406 53.295 53.295 52.529 0.766 17783 12353 1 22 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.531 -0.821 17783 12354 1 22 . 1 1 84 84 LEU H H 406 7.478 7.478 7.302 0.176 17783 12355 1 22 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.551 -0.058 17783 12356 1 22 . 1 1 85 85 PRO C C 407 177.743 177.743 177.468 0.275 17783 12357 1 22 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.298 0.846 17783 12358 1 22 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.589 0.332 17783 12359 1 22 . 1 1 86 86 ALA N N 408 128.809 128.809 122.991 5.818 17783 12360 1 22 . 1 1 86 86 ALA HA H 408 3.946 3.946 3.985 -0.039 17783 12361 1 22 . 1 1 86 86 ALA C C 408 180.517 180.517 179.636 0.881 17783 12362 1 22 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.547 0.958 17783 12363 1 22 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.351 -0.006 17783 12364 1 22 . 1 1 86 86 ALA H H 408 9.168 9.168 8.603 0.565 17783 12365 1 22 . 1 1 87 87 ASP N N 409 116.520 116.520 118.292 -1.772 17783 12366 1 22 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.389 0.073 17783 12367 1 22 . 1 1 87 87 ASP C C 409 178.081 178.081 178.333 -0.252 17783 12368 1 22 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.516 -0.581 17783 12369 1 22 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.516 -0.157 17783 12370 1 22 . 1 1 87 87 ASP H H 409 9.359 9.359 8.591 0.768 17783 12371 1 22 . 1 1 88 88 VAL N N 410 117.452 117.452 116.471 0.981 17783 12372 1 22 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.018 0.071 17783 12373 1 22 . 1 1 88 88 VAL C C 410 178.675 178.675 177.625 1.050 17783 12374 1 22 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.426 -0.551 17783 12375 1 22 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.085 -0.800 17783 12376 1 22 . 1 1 88 88 VAL H H 410 7.355 7.355 7.487 -0.132 17783 12377 1 22 . 1 1 89 89 GLN N N 411 119.387 119.387 118.368 1.019 17783 12378 1 22 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.148 -0.504 17783 12379 1 22 . 1 1 89 89 GLN C C 411 179.168 179.168 177.368 1.800 17783 12380 1 22 . 1 1 89 89 GLN CA C 411 60.712 60.712 57.469 3.243 17783 12381 1 22 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.817 -0.307 17783 12382 1 22 . 1 1 89 89 GLN H H 411 8.271 8.271 8.177 0.094 17783 12383 1 22 . 1 1 90 90 ALA N N 412 118.634 118.634 122.050 -3.416 17783 12384 1 22 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.211 0.054 17783 12385 1 22 . 1 1 90 90 ALA C C 412 177.949 177.949 178.974 -1.025 17783 12386 1 22 . 1 1 90 90 ALA CA C 412 53.941 53.941 53.807 0.134 17783 12387 1 22 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.657 -0.331 17783 12388 1 22 . 1 1 90 90 ALA H H 412 7.794 7.794 8.376 -0.582 17783 12389 1 22 . 1 1 91 91 LYS N N 413 115.842 115.842 115.855 -0.013 17783 12390 1 22 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.062 0.270 17783 12391 1 22 . 1 1 91 91 LYS C C 413 175.829 175.829 176.217 -0.388 17783 12392 1 22 . 1 1 91 91 LYS CA C 413 55.370 55.370 56.167 -0.797 17783 12393 1 22 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.739 -0.255 17783 12394 1 22 . 1 1 91 91 LYS H H 413 7.398 7.398 7.743 -0.345 17783 12395 1 22 . 1 1 92 92 ASN N N 414 113.776 113.776 117.456 -3.680 17783 12396 1 22 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.583 -0.047 17783 12397 1 22 . 1 1 92 92 ASN C C 414 171.075 171.075 173.473 -2.398 17783 12398 1 22 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.074 0.989 17783 12399 1 22 . 1 1 92 92 ASN CB C 414 37.081 37.081 38.111 -1.030 17783 12400 1 22 . 1 1 92 92 ASN H H 414 8.178 8.178 7.614 0.564 17783 12401 1 22 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.464 0.538 17783 12402 1 22 . 1 1 93 93 PRO C C 415 175.682 175.682 175.906 -0.224 17783 12403 1 22 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.483 0.007 17783 12404 1 22 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.226 1.359 17783 12405 1 22 . 1 1 94 94 TRP N N 416 117.925 117.925 122.705 -4.780 17783 12406 1 22 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.945 0.072 17783 12407 1 22 . 1 1 94 94 TRP C C 416 173.607 173.607 174.403 -0.796 17783 12408 1 22 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.806 -0.811 17783 12409 1 22 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.953 1.554 17783 12410 1 22 . 1 1 94 94 TRP H H 416 7.921 7.921 8.062 -0.141 17783 12411 1 22 . 1 1 95 95 ALA N N 417 123.924 123.924 126.578 -2.654 17783 12412 1 22 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.025 0.730 17783 12413 1 22 . 1 1 95 95 ALA C C 417 174.171 174.171 175.983 -1.812 17783 12414 1 22 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.018 -0.381 17783 12415 1 22 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.359 0.109 17783 12416 1 22 . 1 1 95 95 ALA H H 417 8.878 8.878 8.197 0.681 17783 12417 1 22 . 1 1 96 96 LYS N N 418 129.441 129.441 118.849 10.592 17783 12418 1 22 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.267 0.754 17783 12419 1 22 . 1 1 96 96 LYS C C 418 173.451 173.451 173.311 0.140 17783 12420 1 22 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.591 -1.027 17783 12421 1 22 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.069 4.914 17783 12422 1 22 . 1 1 96 96 LYS H H 418 9.235 9.235 8.170 1.065 17783 12423 1 22 . 1 1 97 97 PRO HA H 419 3.764 3.764 3.624 0.140 17783 12424 1 22 . 1 1 97 97 PRO C C 419 178.893 178.893 177.535 1.358 17783 12425 1 22 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.699 0.196 17783 12426 1 22 . 1 1 97 97 PRO CB C 419 32.720 32.720 31.692 1.028 17783 12427 1 22 . 1 1 98 98 LEU N N 420 126.746 126.746 126.015 0.731 17783 12428 1 22 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.796 0.007 17783 12429 1 22 . 1 1 98 98 LEU C C 420 179.040 179.040 177.933 1.107 17783 12430 1 22 . 1 1 98 98 LEU CA C 420 57.368 57.368 57.361 0.007 17783 12431 1 22 . 1 1 98 98 LEU CB C 420 39.941 39.941 42.107 -2.166 17783 12432 1 22 . 1 1 98 98 LEU H H 420 9.179 9.179 7.834 1.345 17783 12433 1 22 . 1 1 99 99 ARG N N 421 118.262 118.262 116.382 1.880 17783 12434 1 22 . 1 1 99 99 ARG HA H 421 4.059 4.059 4.200 -0.141 17783 12435 1 22 . 1 1 99 99 ARG C C 421 178.140 178.140 177.589 0.551 17783 12436 1 22 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.215 0.878 17783 12437 1 22 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.288 0.668 17783 12438 1 22 . 1 1 99 99 ARG H H 421 8.014 8.014 7.922 0.092 17783 12439 1 22 . 1 1 100 100 GLN N N 422 116.539 116.539 119.429 -2.890 17783 12440 1 22 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.251 -0.041 17783 12441 1 22 . 1 1 100 100 GLN C C 422 177.594 177.594 177.710 -0.116 17783 12442 1 22 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.417 -0.684 17783 12443 1 22 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.126 0.052 17783 12444 1 22 . 1 1 100 100 GLN H H 422 7.258 7.258 8.181 -0.923 17783 12445 1 22 . 1 1 101 101 VAL N N 423 119.665 119.665 120.673 -1.008 17783 12446 1 22 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.622 -0.074 17783 12447 1 22 . 1 1 101 101 VAL C C 423 177.040 177.040 178.187 -1.147 17783 12448 1 22 . 1 1 101 101 VAL CA C 423 65.447 65.447 66.201 -0.754 17783 12449 1 22 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.959 1.594 17783 12450 1 22 . 1 1 101 101 VAL H H 423 7.090 7.090 8.400 -1.310 17783 12451 1 22 . 1 1 102 102 GLN N N 424 115.032 115.032 117.417 -2.385 17783 12452 1 22 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.904 -0.339 17783 12453 1 22 . 1 1 102 102 GLN C C 424 177.994 177.994 176.750 1.244 17783 12454 1 22 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.123 0.760 17783 12455 1 22 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.128 -1.069 17783 12456 1 22 . 1 1 102 102 GLN H H 424 8.553 8.553 7.645 0.908 17783 12457 1 22 . 1 1 103 103 ALA N N 425 120.742 120.742 122.482 -1.740 17783 12458 1 22 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.068 0.090 17783 12459 1 22 . 1 1 103 103 ALA C C 425 178.545 178.545 178.521 0.024 17783 12460 1 22 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.672 -0.397 17783 12461 1 22 . 1 1 103 103 ALA CB C 425 18.322 18.322 19.065 -0.743 17783 12462 1 22 . 1 1 103 103 ALA H H 425 7.366 7.366 8.112 -0.746 17783 12463 1 22 . 1 1 104 104 ASP N N 426 117.066 117.066 118.615 -1.549 17783 12464 1 22 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.538 0.170 17783 12465 1 22 . 1 1 104 104 ASP C C 426 176.876 176.876 177.023 -0.147 17783 12466 1 22 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.607 -0.384 17783 12467 1 22 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.322 1.178 17783 12468 1 22 . 1 1 104 104 ASP H H 426 7.628 7.628 7.976 -0.348 17783 12469 1 22 . 1 1 105 105 LEU N N 427 119.853 119.853 121.744 -1.891 17783 12470 1 22 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.105 0.194 17783 12471 1 22 . 1 1 105 105 LEU C C 427 176.118 176.118 176.043 0.075 17783 12472 1 22 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.673 -0.687 17783 12473 1 22 . 1 1 105 105 LEU CB C 427 42.078 42.078 41.328 0.750 17783 12474 1 22 . 1 1 105 105 LEU H H 427 7.242 7.242 7.701 -0.459 17783 12475 1 23 . 1 1 2 2 ARG N N 324 121.883 121.883 122.575 -0.692 17783 12476 1 23 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.178 0.166 17783 12477 1 23 . 1 1 2 2 ARG C C 324 176.887 176.887 174.879 2.008 17783 12478 1 23 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.051 0.454 17783 12479 1 23 . 1 1 2 2 ARG CB C 324 30.734 30.734 29.752 0.982 17783 12480 1 23 . 1 1 2 2 ARG H H 324 8.373 8.373 8.612 -0.239 17783 12481 1 23 . 1 1 3 3 GLY N N 325 111.231 111.231 110.538 0.693 17783 12482 1 23 . 1 1 3 3 GLY C C 325 174.037 174.037 173.453 0.584 17783 12483 1 23 . 1 1 3 3 GLY CA C 325 45.228 45.228 44.637 0.591 17783 12484 1 23 . 1 1 3 3 GLY H H 325 8.683 8.683 8.157 0.526 17783 12485 1 23 . 1 1 4 4 SER N N 326 115.541 115.541 117.416 -1.875 17783 12486 1 23 . 1 1 4 4 SER HA H 326 4.377 4.377 4.262 0.115 17783 12487 1 23 . 1 1 4 4 SER C C 326 174.454 174.454 174.872 -0.418 17783 12488 1 23 . 1 1 4 4 SER CA C 326 58.315 58.315 57.036 1.279 17783 12489 1 23 . 1 1 4 4 SER CB C 326 63.902 63.902 62.660 1.242 17783 12490 1 23 . 1 1 4 4 SER H H 326 8.237 8.237 8.104 0.133 17783 12491 1 23 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.567 0.013 17783 12492 1 23 . 1 1 10 10 HIS C C 332 175.292 175.292 174.125 1.167 17783 12493 1 23 . 1 1 10 10 HIS CA C 332 55.946 55.946 56.219 -0.273 17783 12494 1 23 . 1 1 10 10 HIS CB C 332 30.123 30.123 30.609 -0.486 17783 12495 1 23 . 1 1 11 11 GLY N N 333 110.527 110.527 110.747 -0.220 17783 12496 1 23 . 1 1 11 11 GLY C C 333 174.126 174.126 174.611 -0.485 17783 12497 1 23 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.275 0.052 17783 12498 1 23 . 1 1 11 11 GLY H H 333 8.540 8.540 8.325 0.215 17783 12499 1 23 . 1 1 12 12 SER N N 334 115.752 115.752 115.566 0.186 17783 12500 1 23 . 1 1 12 12 SER HA H 334 4.436 4.436 4.096 0.340 17783 12501 1 23 . 1 1 12 12 SER C C 334 174.538 174.538 173.725 0.813 17783 12502 1 23 . 1 1 12 12 SER CA C 334 58.486 58.486 59.172 -0.686 17783 12503 1 23 . 1 1 12 12 SER CB C 334 63.927 63.927 63.782 0.145 17783 12504 1 23 . 1 1 12 12 SER H H 334 8.356 8.356 7.561 0.795 17783 12505 1 23 . 1 1 13 13 ASN N N 335 120.410 120.410 120.209 0.201 17783 12506 1 23 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.655 0.074 17783 12507 1 23 . 1 1 13 13 ASN C C 335 175.116 175.116 173.535 1.581 17783 12508 1 23 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.066 0.320 17783 12509 1 23 . 1 1 13 13 ASN CB C 335 38.668 38.668 40.733 -2.065 17783 12510 1 23 . 1 1 13 13 ASN H H 335 8.575 8.575 8.364 0.211 17783 12511 1 23 . 1 1 14 14 ASN N N 336 119.094 119.094 121.703 -2.609 17783 12512 1 23 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.620 0.109 17783 12513 1 23 . 1 1 14 14 ASN C C 336 175.395 175.395 175.158 0.237 17783 12514 1 23 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.267 0.118 17783 12515 1 23 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.795 -0.126 17783 12516 1 23 . 1 1 14 14 ASN H H 336 8.447 8.447 8.574 -0.127 17783 12517 1 23 . 1 1 15 15 ASN N N 337 118.915 118.915 122.837 -3.922 17783 12518 1 23 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.810 -0.276 17783 12519 1 23 . 1 1 15 15 ASN C C 337 176.390 176.390 175.832 0.558 17783 12520 1 23 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.698 0.293 17783 12521 1 23 . 1 1 15 15 ASN CB C 337 38.621 38.621 38.988 -0.367 17783 12522 1 23 . 1 1 15 15 ASN H H 337 8.446 8.446 8.356 0.090 17783 12523 1 23 . 1 1 16 16 GLY N N 338 108.851 108.851 108.804 0.047 17783 12524 1 23 . 1 1 16 16 GLY C C 338 175.459 175.459 175.299 0.160 17783 12525 1 23 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.853 0.899 17783 12526 1 23 . 1 1 16 16 GLY H H 338 8.454 8.454 8.759 -0.305 17783 12527 1 23 . 1 1 17 17 SER N N 339 116.218 116.218 117.390 -1.172 17783 12528 1 23 . 1 1 17 17 SER HA H 339 4.229 4.229 4.333 -0.104 17783 12529 1 23 . 1 1 17 17 SER C C 339 175.869 175.869 175.918 -0.049 17783 12530 1 23 . 1 1 17 17 SER CA C 339 59.759 59.759 59.289 0.470 17783 12531 1 23 . 1 1 17 17 SER CB C 339 62.973 62.973 62.415 0.558 17783 12532 1 23 . 1 1 17 17 SER H H 339 8.170 8.170 8.414 -0.244 17783 12533 1 23 . 1 1 18 18 LEU N N 340 121.515 121.515 122.819 -1.304 17783 12534 1 23 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.432 -0.430 17783 12535 1 23 . 1 1 18 18 LEU C C 340 178.399 178.399 178.191 0.208 17783 12536 1 23 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.732 -0.581 17783 12537 1 23 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.712 0.364 17783 12538 1 23 . 1 1 18 18 LEU H H 340 7.790 7.790 7.773 0.017 17783 12539 1 23 . 1 1 19 19 LYS N N 341 117.145 117.145 115.114 2.031 17783 12540 1 23 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.052 -0.244 17783 12541 1 23 . 1 1 19 19 LYS C C 341 176.960 176.960 178.032 -1.072 17783 12542 1 23 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.589 0.603 17783 12543 1 23 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.508 0.285 17783 12544 1 23 . 1 1 19 19 LYS H H 341 7.893 7.893 7.518 0.375 17783 12545 1 23 . 1 1 20 20 SER N N 342 110.377 110.377 114.870 -4.493 17783 12546 1 23 . 1 1 20 20 SER HA H 342 4.369 4.369 4.326 0.043 17783 12547 1 23 . 1 1 20 20 SER C C 342 173.735 173.735 175.505 -1.770 17783 12548 1 23 . 1 1 20 20 SER CA C 342 58.141 58.141 59.489 -1.348 17783 12549 1 23 . 1 1 20 20 SER CB C 342 63.900 63.900 64.379 -0.479 17783 12550 1 23 . 1 1 20 20 SER H H 342 7.546 7.546 7.643 -0.097 17783 12551 1 23 . 1 1 21 21 ALA N N 343 125.662 125.662 126.639 -0.977 17783 12552 1 23 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.361 0.001 17783 12553 1 23 . 1 1 21 21 ALA C C 343 174.051 174.051 175.624 -1.573 17783 12554 1 23 . 1 1 21 21 ALA CA C 343 50.572 50.572 50.560 0.012 17783 12555 1 23 . 1 1 21 21 ALA CB C 343 18.134 18.134 18.803 -0.669 17783 12556 1 23 . 1 1 21 21 ALA H H 343 6.852 6.852 7.930 -1.078 17783 12557 1 23 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.320 -0.082 17783 12558 1 23 . 1 1 22 22 PRO C C 344 178.184 178.184 176.376 1.808 17783 12559 1 23 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.727 0.355 17783 12560 1 23 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.813 0.791 17783 12561 1 23 . 1 1 23 23 SER N N 345 118.662 118.662 120.604 -1.942 17783 12562 1 23 . 1 1 23 23 SER HA H 345 3.825 3.825 4.203 -0.378 17783 12563 1 23 . 1 1 23 23 SER C C 345 174.231 174.231 175.600 -1.369 17783 12564 1 23 . 1 1 23 23 SER CA C 345 60.892 60.892 59.116 1.776 17783 12565 1 23 . 1 1 23 23 SER CB C 345 63.223 63.223 63.074 0.149 17783 12566 1 23 . 1 1 23 23 SER H H 345 8.566 8.566 8.112 0.454 17783 12567 1 23 . 1 1 24 24 SER N N 346 111.938 111.938 116.930 -4.992 17783 12568 1 23 . 1 1 24 24 SER HA H 346 4.383 4.383 4.329 0.054 17783 12569 1 23 . 1 1 24 24 SER C C 346 175.152 175.152 174.780 0.372 17783 12570 1 23 . 1 1 24 24 SER CA C 346 58.247 58.247 60.903 -2.656 17783 12571 1 23 . 1 1 24 24 SER CB C 346 63.958 63.958 63.200 0.758 17783 12572 1 23 . 1 1 24 24 SER H H 346 7.675 7.675 8.381 -0.706 17783 12573 1 23 . 1 1 25 25 HIS N N 347 122.882 122.882 119.623 3.259 17783 12574 1 23 . 1 1 25 25 HIS HA H 347 4.850 4.850 5.077 -0.227 17783 12575 1 23 . 1 1 25 25 HIS C C 347 173.574 173.574 175.036 -1.462 17783 12576 1 23 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.293 0.782 17783 12577 1 23 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.637 1.211 17783 12578 1 23 . 1 1 25 25 HIS H H 347 7.628 7.628 7.232 0.396 17783 12579 1 23 . 1 1 26 26 TYR N N 348 117.921 117.921 122.762 -4.841 17783 12580 1 23 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.688 0.301 17783 12581 1 23 . 1 1 26 26 TYR C C 348 174.086 174.086 175.293 -1.207 17783 12582 1 23 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.609 -0.422 17783 12583 1 23 . 1 1 26 26 TYR CB C 348 43.834 43.834 42.086 1.748 17783 12584 1 23 . 1 1 26 26 TYR H H 348 9.606 9.606 8.688 0.918 17783 12585 1 23 . 1 1 27 27 THR N N 349 115.914 115.914 113.709 2.205 17783 12586 1 23 . 1 1 27 27 THR HA H 349 5.027 5.027 4.728 0.299 17783 12587 1 23 . 1 1 27 27 THR C C 349 172.904 172.904 172.357 0.547 17783 12588 1 23 . 1 1 27 27 THR CA C 349 58.835 58.835 60.181 -1.346 17783 12589 1 23 . 1 1 27 27 THR CB C 349 70.587 70.587 70.412 0.175 17783 12590 1 23 . 1 1 27 27 THR H H 349 8.974 8.974 8.289 0.685 17783 12591 1 23 . 1 1 28 28 LEU N N 350 123.392 123.392 120.660 2.732 17783 12592 1 23 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.732 0.257 17783 12593 1 23 . 1 1 28 28 LEU C C 350 176.111 176.111 174.764 1.347 17783 12594 1 23 . 1 1 28 28 LEU CA C 350 53.098 53.098 53.264 -0.166 17783 12595 1 23 . 1 1 28 28 LEU CB C 350 44.870 44.870 45.689 -0.819 17783 12596 1 23 . 1 1 28 28 LEU H H 350 8.249 8.249 8.597 -0.348 17783 12597 1 23 . 1 1 29 29 GLN N N 351 122.797 122.797 119.430 3.367 17783 12598 1 23 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.865 -0.312 17783 12599 1 23 . 1 1 29 29 GLN C C 351 175.435 175.435 175.863 -0.428 17783 12600 1 23 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.505 1.438 17783 12601 1 23 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.937 -3.706 17783 12602 1 23 . 1 1 29 29 GLN H H 351 8.915 8.915 8.188 0.727 17783 12603 1 23 . 1 1 30 30 LEU N N 352 125.239 125.239 125.964 -0.725 17783 12604 1 23 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.397 -0.030 17783 12605 1 23 . 1 1 30 30 LEU C C 352 177.250 177.250 176.897 0.353 17783 12606 1 23 . 1 1 30 30 LEU CA C 352 56.101 56.101 56.821 -0.720 17783 12607 1 23 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.972 0.128 17783 12608 1 23 . 1 1 30 30 LEU H H 352 8.920 8.920 8.180 0.740 17783 12609 1 23 . 1 1 31 31 SER N N 353 106.816 106.816 108.715 -1.899 17783 12610 1 23 . 1 1 31 31 SER HA H 353 4.493 4.493 4.638 -0.145 17783 12611 1 23 . 1 1 31 31 SER C C 353 171.831 171.831 172.260 -0.429 17783 12612 1 23 . 1 1 31 31 SER CA C 353 57.160 57.160 57.388 -0.228 17783 12613 1 23 . 1 1 31 31 SER CB C 353 64.360 64.360 65.626 -1.266 17783 12614 1 23 . 1 1 31 31 SER H H 353 7.548 7.548 8.087 -0.539 17783 12615 1 23 . 1 1 32 32 SER N N 354 113.518 113.518 114.451 -0.933 17783 12616 1 23 . 1 1 32 32 SER HA H 354 5.026 5.026 4.310 0.716 17783 12617 1 23 . 1 1 32 32 SER C C 354 172.512 172.512 171.820 0.692 17783 12618 1 23 . 1 1 32 32 SER CA C 354 57.285 57.285 57.447 -0.162 17783 12619 1 23 . 1 1 32 32 SER CB C 354 65.347 65.347 65.683 -0.336 17783 12620 1 23 . 1 1 32 32 SER H H 354 8.127 8.127 8.140 -0.013 17783 12621 1 23 . 1 1 33 33 SER N N 355 114.624 114.624 115.150 -0.526 17783 12622 1 23 . 1 1 33 33 SER HA H 355 4.106 4.106 4.156 -0.050 17783 12623 1 23 . 1 1 33 33 SER C C 355 171.639 171.639 172.036 -0.397 17783 12624 1 23 . 1 1 33 33 SER CA C 355 57.276 57.276 57.637 -0.361 17783 12625 1 23 . 1 1 33 33 SER CB C 355 64.539 64.539 64.938 -0.399 17783 12626 1 23 . 1 1 33 33 SER H H 355 8.616 8.616 6.562 2.054 17783 12627 1 23 . 1 1 34 34 SER N N 356 116.467 116.467 115.259 1.208 17783 12628 1 23 . 1 1 34 34 SER HA H 356 4.241 4.241 4.883 -0.642 17783 12629 1 23 . 1 1 34 34 SER C C 356 173.820 173.820 173.428 0.392 17783 12630 1 23 . 1 1 34 34 SER CA C 356 59.074 59.074 58.401 0.673 17783 12631 1 23 . 1 1 34 34 SER CB C 356 63.741 63.741 63.566 0.174 17783 12632 1 23 . 1 1 34 34 SER H H 356 8.132 8.132 8.330 -0.198 17783 12633 1 23 . 1 1 35 35 ASN N N 357 122.206 122.206 119.945 2.261 17783 12634 1 23 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.056 -0.135 17783 12635 1 23 . 1 1 35 35 ASN C C 357 172.965 172.965 174.201 -1.236 17783 12636 1 23 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.471 -1.024 17783 12637 1 23 . 1 1 35 35 ASN CB C 357 40.925 40.925 41.931 -1.006 17783 12638 1 23 . 1 1 35 35 ASN H H 357 8.511 8.511 8.156 0.355 17783 12639 1 23 . 1 1 36 36 TYR N N 358 127.519 127.519 126.370 1.149 17783 12640 1 23 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.904 -0.932 17783 12641 1 23 . 1 1 36 36 TYR C C 358 176.522 176.522 176.262 0.260 17783 12642 1 23 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.313 -0.344 17783 12643 1 23 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.418 -0.707 17783 12644 1 23 . 1 1 36 36 TYR H H 358 8.002 8.002 8.935 -0.933 17783 12645 1 23 . 1 1 37 37 ASP N N 359 118.658 118.658 118.788 -0.130 17783 12646 1 23 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.356 -0.212 17783 12647 1 23 . 1 1 37 37 ASP C C 359 179.804 179.804 178.675 1.129 17783 12648 1 23 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.462 -0.959 17783 12649 1 23 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.063 0.115 17783 12650 1 23 . 1 1 37 37 ASP H H 359 8.033 8.033 8.850 -0.817 17783 12651 1 23 . 1 1 38 38 ASN N N 360 119.802 119.802 117.406 2.396 17783 12652 1 23 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.610 -0.307 17783 12653 1 23 . 1 1 38 38 ASN C C 360 177.720 177.720 177.474 0.246 17783 12654 1 23 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.532 -0.082 17783 12655 1 23 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.306 -0.542 17783 12656 1 23 . 1 1 38 38 ASN H H 360 8.380 8.380 8.320 0.060 17783 12657 1 23 . 1 1 39 39 LEU N N 361 121.625 121.625 121.758 -0.133 17783 12658 1 23 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.120 -0.023 17783 12659 1 23 . 1 1 39 39 LEU C C 361 177.738 177.738 178.167 -0.429 17783 12660 1 23 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.522 -0.957 17783 12661 1 23 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.830 0.898 17783 12662 1 23 . 1 1 39 39 LEU H H 361 7.243 7.243 7.983 -0.740 17783 12663 1 23 . 1 1 40 40 ASN N N 362 116.601 116.601 117.483 -0.882 17783 12664 1 23 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.170 -0.025 17783 12665 1 23 . 1 1 40 40 ASN C C 362 177.253 177.253 177.594 -0.341 17783 12666 1 23 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.572 -0.045 17783 12667 1 23 . 1 1 40 40 ASN CB C 362 39.326 39.326 38.237 1.089 17783 12668 1 23 . 1 1 40 40 ASN H H 362 8.284 8.284 8.443 -0.159 17783 12669 1 23 . 1 1 41 41 GLY N N 363 104.958 104.958 108.548 -3.590 17783 12670 1 23 . 1 1 41 41 GLY C C 363 176.323 176.323 175.588 0.735 17783 12671 1 23 . 1 1 41 41 GLY CA C 363 46.839 46.839 47.083 -0.244 17783 12672 1 23 . 1 1 41 41 GLY H H 363 8.334 8.334 8.187 0.147 17783 12673 1 23 . 1 1 42 42 TRP N N 364 125.066 125.066 124.330 0.736 17783 12674 1 23 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.280 -0.054 17783 12675 1 23 . 1 1 42 42 TRP C C 364 176.509 176.509 177.694 -1.185 17783 12676 1 23 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.750 0.739 17783 12677 1 23 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.532 -1.657 17783 12678 1 23 . 1 1 42 42 TRP H H 364 7.833 7.833 8.079 -0.246 17783 12679 1 23 . 1 1 43 43 ALA N N 365 120.030 120.030 121.196 -1.166 17783 12680 1 23 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.192 -0.198 17783 12681 1 23 . 1 1 43 43 ALA C C 365 179.186 179.186 179.433 -0.247 17783 12682 1 23 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.109 -0.108 17783 12683 1 23 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.852 -0.764 17783 12684 1 23 . 1 1 43 43 ALA H H 365 7.701 7.701 8.896 -1.195 17783 12685 1 23 . 1 1 44 44 LYS N N 366 115.064 115.064 117.352 -2.288 17783 12686 1 23 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.837 0.196 17783 12687 1 23 . 1 1 44 44 LYS C C 366 180.830 180.830 179.408 1.422 17783 12688 1 23 . 1 1 44 44 LYS CA C 366 58.991 58.991 59.165 -0.174 17783 12689 1 23 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.323 0.027 17783 12690 1 23 . 1 1 44 44 LYS H H 366 7.562 7.562 8.060 -0.498 17783 12691 1 23 . 1 1 45 45 LYS N N 367 123.180 123.180 119.904 3.276 17783 12692 1 23 . 1 1 45 45 LYS HA H 367 3.907 3.907 3.951 -0.044 17783 12693 1 23 . 1 1 45 45 LYS C C 367 178.319 178.319 178.802 -0.483 17783 12694 1 23 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.953 0.091 17783 12695 1 23 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.307 -0.241 17783 12696 1 23 . 1 1 45 45 LYS H H 367 8.067 8.067 7.570 0.497 17783 12697 1 23 . 1 1 46 46 GLU N N 368 114.882 114.882 114.905 -0.023 17783 12698 1 23 . 1 1 46 46 GLU HA H 368 3.917 3.917 3.984 -0.067 17783 12699 1 23 . 1 1 46 46 GLU C C 368 174.639 174.639 176.240 -1.601 17783 12700 1 23 . 1 1 46 46 GLU CA C 368 55.016 55.016 57.192 -2.176 17783 12701 1 23 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.168 -1.490 17783 12702 1 23 . 1 1 46 46 GLU H H 368 7.488 7.488 7.636 -0.148 17783 12703 1 23 . 1 1 47 47 ASN N N 369 114.944 114.944 115.961 -1.017 17783 12704 1 23 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.239 0.033 17783 12705 1 23 . 1 1 47 47 ASN C C 369 174.759 174.759 174.285 0.474 17783 12706 1 23 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.526 0.178 17783 12707 1 23 . 1 1 47 47 ASN CB C 369 37.059 37.059 37.078 -0.019 17783 12708 1 23 . 1 1 47 47 ASN H H 369 7.772 7.772 7.596 0.176 17783 12709 1 23 . 1 1 48 48 LEU N N 370 116.008 116.008 118.725 -2.717 17783 12710 1 23 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.902 0.218 17783 12711 1 23 . 1 1 48 48 LEU C C 370 177.056 177.056 176.501 0.555 17783 12712 1 23 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.193 -0.075 17783 12713 1 23 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.893 1.024 17783 12714 1 23 . 1 1 48 48 LEU H H 370 7.463 7.463 7.342 0.121 17783 12715 1 23 . 1 1 49 49 LYS N N 371 120.012 120.012 124.697 -4.685 17783 12716 1 23 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.410 0.150 17783 12717 1 23 . 1 1 49 49 LYS C C 371 176.481 176.481 176.655 -0.174 17783 12718 1 23 . 1 1 49 49 LYS CA C 371 55.329 55.329 56.048 -0.719 17783 12719 1 23 . 1 1 49 49 LYS CB C 371 34.555 34.555 34.165 0.390 17783 12720 1 23 . 1 1 49 49 LYS H H 371 8.518 8.518 8.280 0.238 17783 12721 1 23 . 1 1 50 50 ASN N N 372 117.610 117.610 120.524 -2.914 17783 12722 1 23 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.479 0.035 17783 12723 1 23 . 1 1 50 50 ASN C C 372 173.445 173.445 173.357 0.088 17783 12724 1 23 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.196 -0.759 17783 12725 1 23 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.151 -0.219 17783 12726 1 23 . 1 1 50 50 ASN H H 372 8.734 8.734 8.891 -0.157 17783 12727 1 23 . 1 1 51 51 TYR N N 373 117.151 117.151 115.890 1.261 17783 12728 1 23 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.107 0.288 17783 12729 1 23 . 1 1 51 51 TYR C C 373 173.549 173.549 173.885 -0.336 17783 12730 1 23 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.030 -0.248 17783 12731 1 23 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.302 0.109 17783 12732 1 23 . 1 1 51 51 TYR H H 373 7.570 7.570 7.662 -0.092 17783 12733 1 23 . 1 1 52 52 VAL N N 374 120.887 120.887 122.845 -1.958 17783 12734 1 23 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.182 0.116 17783 12735 1 23 . 1 1 52 52 VAL C C 374 174.289 174.289 175.642 -1.353 17783 12736 1 23 . 1 1 52 52 VAL CA C 374 61.714 61.714 62.163 -0.449 17783 12737 1 23 . 1 1 52 52 VAL CB C 374 36.584 36.584 33.230 3.354 17783 12738 1 23 . 1 1 52 52 VAL H H 374 9.140 9.140 8.765 0.375 17783 12739 1 23 . 1 1 53 53 VAL N N 375 126.060 126.060 127.934 -1.874 17783 12740 1 23 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.134 1.281 17783 12741 1 23 . 1 1 53 53 VAL C C 375 175.803 175.803 175.968 -0.165 17783 12742 1 23 . 1 1 53 53 VAL CA C 375 60.656 60.656 63.176 -2.520 17783 12743 1 23 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.873 0.863 17783 12744 1 23 . 1 1 53 53 VAL H H 375 8.600 8.600 8.233 0.367 17783 12745 1 23 . 1 1 54 54 TYR N N 376 125.706 125.706 125.498 0.208 17783 12746 1 23 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.017 0.405 17783 12747 1 23 . 1 1 54 54 TYR C C 376 172.139 172.139 173.110 -0.971 17783 12748 1 23 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.309 -0.180 17783 12749 1 23 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.598 1.059 17783 12750 1 23 . 1 1 54 54 TYR H H 376 9.292 9.292 8.317 0.975 17783 12751 1 23 . 1 1 55 55 GLU N N 377 122.063 122.063 120.310 1.753 17783 12752 1 23 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.600 1.114 17783 12753 1 23 . 1 1 55 55 GLU C C 377 175.011 175.011 175.273 -0.262 17783 12754 1 23 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.132 0.011 17783 12755 1 23 . 1 1 55 55 GLU CB C 377 32.659 32.659 31.013 1.646 17783 12756 1 23 . 1 1 55 55 GLU H H 377 8.758 8.758 8.569 0.189 17783 12757 1 23 . 1 1 56 56 THR N N 378 122.855 122.855 117.864 4.991 17783 12758 1 23 . 1 1 56 56 THR HA H 378 4.848 4.848 4.526 0.322 17783 12759 1 23 . 1 1 56 56 THR C C 378 173.550 173.550 172.336 1.214 17783 12760 1 23 . 1 1 56 56 THR CA C 378 58.732 58.732 60.323 -1.591 17783 12761 1 23 . 1 1 56 56 THR CB C 378 70.181 70.181 69.263 0.918 17783 12762 1 23 . 1 1 56 56 THR H H 378 9.160 9.160 7.812 1.348 17783 12763 1 23 . 1 1 57 57 THR N N 379 116.629 116.629 113.672 2.957 17783 12764 1 23 . 1 1 57 57 THR HA H 379 5.145 5.145 4.672 0.473 17783 12765 1 23 . 1 1 57 57 THR C C 379 173.973 173.973 173.703 0.270 17783 12766 1 23 . 1 1 57 57 THR CA C 379 60.517 60.517 60.965 -0.448 17783 12767 1 23 . 1 1 57 57 THR CB C 379 71.582 71.582 69.077 2.505 17783 12768 1 23 . 1 1 57 57 THR H H 379 8.677 8.677 8.456 0.221 17783 12769 1 23 . 1 1 58 58 ARG N N 380 124.546 124.546 126.687 -2.141 17783 12770 1 23 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.594 -0.286 17783 12771 1 23 . 1 1 58 58 ARG C C 380 176.074 176.074 176.007 0.067 17783 12772 1 23 . 1 1 58 58 ARG CA C 380 55.510 55.510 55.209 0.301 17783 12773 1 23 . 1 1 58 58 ARG CB C 380 32.473 32.473 32.179 0.294 17783 12774 1 23 . 1 1 58 58 ARG H H 380 9.117 9.117 8.092 1.025 17783 12775 1 23 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.520 -0.214 17783 12776 1 23 . 1 1 59 59 ASN C C 381 175.444 175.444 175.452 -0.008 17783 12777 1 23 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.177 1.060 17783 12778 1 23 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.738 -0.525 17783 12779 1 23 . 1 1 60 60 GLY N N 382 103.015 103.015 105.707 -2.692 17783 12780 1 23 . 1 1 60 60 GLY C C 382 173.488 173.488 174.202 -0.714 17783 12781 1 23 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.898 -0.425 17783 12782 1 23 . 1 1 60 60 GLY H H 382 8.639 8.639 8.739 -0.100 17783 12783 1 23 . 1 1 61 61 GLN N N 383 119.903 119.903 118.031 1.872 17783 12784 1 23 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.678 0.322 17783 12785 1 23 . 1 1 61 61 GLN C C 383 172.730 172.730 173.668 -0.938 17783 12786 1 23 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.694 -0.003 17783 12787 1 23 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.415 0.297 17783 12788 1 23 . 1 1 61 61 GLN H H 383 7.697 7.697 7.482 0.215 17783 12789 1 23 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.371 0.243 17783 12790 1 23 . 1 1 62 62 PRO C C 384 175.576 175.576 175.705 -0.129 17783 12791 1 23 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.172 0.830 17783 12792 1 23 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.867 0.678 17783 12793 1 23 . 1 1 63 63 TRP N N 385 126.621 126.621 125.953 0.668 17783 12794 1 23 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.819 -0.308 17783 12795 1 23 . 1 1 63 63 TRP C C 385 172.096 172.096 172.775 -0.679 17783 12796 1 23 . 1 1 63 63 TRP CA C 385 56.082 56.082 56.461 -0.379 17783 12797 1 23 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.010 1.164 17783 12798 1 23 . 1 1 63 63 TRP H H 385 8.063 8.063 7.655 0.408 17783 12799 1 23 . 1 1 64 64 TYR N N 386 124.129 124.129 120.221 3.908 17783 12800 1 23 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.462 0.756 17783 12801 1 23 . 1 1 64 64 TYR C C 386 173.544 173.544 174.151 -0.607 17783 12802 1 23 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.173 0.596 17783 12803 1 23 . 1 1 64 64 TYR CB C 386 40.433 40.433 38.117 2.316 17783 12804 1 23 . 1 1 64 64 TYR H H 386 7.954 7.954 7.278 0.676 17783 12805 1 23 . 1 1 65 65 VAL N N 387 121.167 121.167 122.928 -1.761 17783 12806 1 23 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.558 -0.695 17783 12807 1 23 . 1 1 65 65 VAL C C 387 172.675 172.675 174.478 -1.803 17783 12808 1 23 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.864 0.393 17783 12809 1 23 . 1 1 65 65 VAL CB C 387 34.133 34.133 34.371 -0.238 17783 12810 1 23 . 1 1 65 65 VAL H H 387 8.409 8.409 7.948 0.461 17783 12811 1 23 . 1 1 66 66 LEU N N 388 127.479 127.479 127.732 -0.253 17783 12812 1 23 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.851 0.572 17783 12813 1 23 . 1 1 66 66 LEU CA C 388 53.496 53.496 54.080 -0.584 17783 12814 1 23 . 1 1 66 66 LEU CB C 388 44.755 44.755 44.102 0.653 17783 12815 1 23 . 1 1 66 66 LEU H H 388 8.200 8.200 8.976 -0.776 17783 12816 1 23 . 1 1 67 67 VAL N N 389 120.778 120.778 116.937 3.841 17783 12817 1 23 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.743 1.097 17783 12818 1 23 . 1 1 67 67 VAL C C 389 174.934 174.934 175.020 -0.086 17783 12819 1 23 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.064 -2.237 17783 12820 1 23 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.938 -1.245 17783 12821 1 23 . 1 1 67 67 VAL H H 389 9.314 9.314 8.381 0.933 17783 12822 1 23 . 1 1 68 68 SER N N 390 113.588 113.588 121.345 -7.757 17783 12823 1 23 . 1 1 68 68 SER HA H 390 4.850 4.850 4.864 -0.014 17783 12824 1 23 . 1 1 68 68 SER C C 390 174.691 174.691 175.602 -0.911 17783 12825 1 23 . 1 1 68 68 SER CA C 390 58.213 58.213 57.538 0.674 17783 12826 1 23 . 1 1 68 68 SER CB C 390 66.007 66.007 63.151 2.856 17783 12827 1 23 . 1 1 68 68 SER H H 390 8.803 8.803 8.654 0.149 17783 12828 1 23 . 1 1 69 69 GLY N N 391 115.161 115.161 115.776 -0.615 17783 12829 1 23 . 1 1 69 69 GLY C C 391 172.208 172.208 173.178 -0.970 17783 12830 1 23 . 1 1 69 69 GLY CA C 391 44.325 44.325 46.093 -1.768 17783 12831 1 23 . 1 1 69 69 GLY H H 391 8.436 8.436 8.341 0.095 17783 12832 1 23 . 1 1 70 70 VAL N N 392 117.033 117.033 120.497 -3.464 17783 12833 1 23 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.336 0.144 17783 12834 1 23 . 1 1 70 70 VAL C C 392 174.635 174.635 173.799 0.836 17783 12835 1 23 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.703 0.499 17783 12836 1 23 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.672 -0.435 17783 12837 1 23 . 1 1 70 70 VAL H H 392 7.188 7.188 7.771 -0.583 17783 12838 1 23 . 1 1 71 71 TYR N N 393 124.867 124.867 122.508 2.359 17783 12839 1 23 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.785 0.016 17783 12840 1 23 . 1 1 71 71 TYR C C 393 175.550 175.550 176.701 -1.151 17783 12841 1 23 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.031 -0.746 17783 12842 1 23 . 1 1 71 71 TYR CB C 393 42.543 42.543 41.781 0.762 17783 12843 1 23 . 1 1 71 71 TYR H H 393 9.517 9.517 8.416 1.101 17783 12844 1 23 . 1 1 72 72 ALA N N 394 124.217 124.217 126.871 -2.654 17783 12845 1 23 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.796 -1.025 17783 12846 1 23 . 1 1 72 72 ALA C C 394 175.911 175.911 177.086 -1.175 17783 12847 1 23 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.973 -1.716 17783 12848 1 23 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.033 -0.012 17783 12849 1 23 . 1 1 72 72 ALA H H 394 8.984 8.984 8.899 0.085 17783 12850 1 23 . 1 1 73 73 SER N N 395 106.325 106.325 109.537 -3.212 17783 12851 1 23 . 1 1 73 73 SER HA H 395 4.769 4.769 4.755 0.014 17783 12852 1 23 . 1 1 73 73 SER C C 395 173.686 173.686 175.373 -1.687 17783 12853 1 23 . 1 1 73 73 SER CA C 395 56.031 56.031 56.671 -0.640 17783 12854 1 23 . 1 1 73 73 SER CB C 395 66.773 66.773 66.329 0.444 17783 12855 1 23 . 1 1 73 73 SER H H 395 7.251 7.251 7.819 -0.568 17783 12856 1 23 . 1 1 74 74 LYS N N 396 123.531 123.531 119.067 4.464 17783 12857 1 23 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.957 -1.063 17783 12858 1 23 . 1 1 74 74 LYS C C 396 178.040 178.040 177.944 0.096 17783 12859 1 23 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.649 0.894 17783 12860 1 23 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.192 0.444 17783 12861 1 23 . 1 1 74 74 LYS H H 396 8.742 8.742 8.381 0.361 17783 12862 1 23 . 1 1 75 75 GLU N N 397 118.740 118.740 119.186 -0.446 17783 12863 1 23 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.919 -0.105 17783 12864 1 23 . 1 1 75 75 GLU C C 397 179.136 179.136 178.401 0.735 17783 12865 1 23 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.225 0.852 17783 12866 1 23 . 1 1 75 75 GLU CB C 397 28.748 28.748 28.667 0.081 17783 12867 1 23 . 1 1 75 75 GLU H H 397 8.529 8.529 8.615 -0.086 17783 12868 1 23 . 1 1 76 76 GLU N N 398 119.987 119.987 119.646 0.341 17783 12869 1 23 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.216 -0.381 17783 12870 1 23 . 1 1 76 76 GLU C C 398 178.564 178.564 178.087 0.477 17783 12871 1 23 . 1 1 76 76 GLU CA C 398 59.362 59.362 57.748 1.615 17783 12872 1 23 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.766 0.665 17783 12873 1 23 . 1 1 76 76 GLU H H 398 7.804 7.804 8.276 -0.472 17783 12874 1 23 . 1 1 77 77 ALA N N 399 122.630 122.630 121.954 0.676 17783 12875 1 23 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.494 -0.906 17783 12876 1 23 . 1 1 77 77 ALA C C 399 177.764 177.764 178.911 -1.147 17783 12877 1 23 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.228 0.133 17783 12878 1 23 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.338 -0.673 17783 12879 1 23 . 1 1 77 77 ALA H H 399 7.294 7.294 7.431 -0.137 17783 12880 1 23 . 1 1 78 78 LYS N N 400 115.403 115.403 118.879 -3.476 17783 12881 1 23 . 1 1 78 78 LYS HA H 400 3.770 3.770 4.001 -0.231 17783 12882 1 23 . 1 1 78 78 LYS C C 400 180.700 180.700 179.124 1.576 17783 12883 1 23 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.359 0.182 17783 12884 1 23 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.551 -0.718 17783 12885 1 23 . 1 1 78 78 LYS H H 400 8.001 8.001 8.223 -0.222 17783 12886 1 23 . 1 1 79 79 LYS N N 401 119.756 119.756 118.591 1.165 17783 12887 1 23 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.114 -0.145 17783 12888 1 23 . 1 1 79 79 LYS C C 401 178.347 178.347 178.665 -0.318 17783 12889 1 23 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.539 0.437 17783 12890 1 23 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.601 0.697 17783 12891 1 23 . 1 1 79 79 LYS H H 401 7.788 7.788 7.537 0.251 17783 12892 1 23 . 1 1 80 80 ALA N N 402 120.725 120.725 123.012 -2.287 17783 12893 1 23 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.069 0.074 17783 12894 1 23 . 1 1 80 80 ALA C C 402 180.118 180.118 179.108 1.010 17783 12895 1 23 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.393 -0.621 17783 12896 1 23 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.633 0.836 17783 12897 1 23 . 1 1 80 80 ALA H H 402 7.334 7.334 7.546 -0.212 17783 12898 1 23 . 1 1 81 81 VAL N N 403 120.431 120.431 119.162 1.269 17783 12899 1 23 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.686 -0.324 17783 12900 1 23 . 1 1 81 81 VAL C C 403 177.205 177.205 177.177 0.028 17783 12901 1 23 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.371 1.357 17783 12902 1 23 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.933 -0.200 17783 12903 1 23 . 1 1 81 81 VAL H H 403 7.480 7.480 7.411 0.069 17783 12904 1 23 . 1 1 82 82 SER N N 404 110.126 110.126 113.460 -3.334 17783 12905 1 23 . 1 1 82 82 SER HA H 404 4.143 4.143 4.218 -0.075 17783 12906 1 23 . 1 1 82 82 SER C C 404 174.813 174.813 175.983 -1.170 17783 12907 1 23 . 1 1 82 82 SER CA C 404 60.751 60.751 60.973 -0.222 17783 12908 1 23 . 1 1 82 82 SER CB C 404 63.287 63.287 62.740 0.547 17783 12909 1 23 . 1 1 82 82 SER H H 404 7.326 7.326 7.943 -0.617 17783 12910 1 23 . 1 1 83 83 THR N N 405 110.438 110.438 115.011 -4.573 17783 12911 1 23 . 1 1 83 83 THR HA H 405 4.461 4.461 4.150 0.311 17783 12912 1 23 . 1 1 83 83 THR C C 405 175.081 175.081 175.538 -0.457 17783 12913 1 23 . 1 1 83 83 THR CA C 405 61.761 61.761 63.943 -2.182 17783 12914 1 23 . 1 1 83 83 THR CB C 405 69.795 69.795 69.160 0.635 17783 12915 1 23 . 1 1 83 83 THR H H 405 7.634 7.634 8.027 -0.393 17783 12916 1 23 . 1 1 84 84 LEU N N 406 123.244 123.244 123.836 -0.592 17783 12917 1 23 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.350 0.290 17783 12918 1 23 . 1 1 84 84 LEU C C 406 174.599 174.599 175.497 -0.898 17783 12919 1 23 . 1 1 84 84 LEU CA C 406 53.295 53.295 53.614 -0.319 17783 12920 1 23 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.079 -0.370 17783 12921 1 23 . 1 1 84 84 LEU H H 406 7.478 7.478 7.477 0.001 17783 12922 1 23 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.503 -0.010 17783 12923 1 23 . 1 1 85 85 PRO C C 407 177.743 177.743 177.369 0.374 17783 12924 1 23 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.404 0.740 17783 12925 1 23 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.478 0.443 17783 12926 1 23 . 1 1 86 86 ALA N N 408 128.809 128.809 121.543 7.266 17783 12927 1 23 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.031 -0.085 17783 12928 1 23 . 1 1 86 86 ALA C C 408 180.517 180.517 179.244 1.273 17783 12929 1 23 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.356 1.149 17783 12930 1 23 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.773 -0.428 17783 12931 1 23 . 1 1 86 86 ALA H H 408 9.168 9.168 8.613 0.555 17783 12932 1 23 . 1 1 87 87 ASP N N 409 116.520 116.520 118.726 -2.206 17783 12933 1 23 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.381 0.081 17783 12934 1 23 . 1 1 87 87 ASP C C 409 178.081 178.081 177.894 0.187 17783 12935 1 23 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.027 -0.092 17783 12936 1 23 . 1 1 87 87 ASP CB C 409 40.359 40.359 39.667 0.692 17783 12937 1 23 . 1 1 87 87 ASP H H 409 9.359 9.359 8.950 0.409 17783 12938 1 23 . 1 1 88 88 VAL N N 410 117.452 117.452 118.426 -0.974 17783 12939 1 23 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.086 0.003 17783 12940 1 23 . 1 1 88 88 VAL C C 410 178.675 178.675 178.068 0.607 17783 12941 1 23 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.342 -0.467 17783 12942 1 23 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.220 -0.935 17783 12943 1 23 . 1 1 88 88 VAL H H 410 7.355 7.355 7.883 -0.528 17783 12944 1 23 . 1 1 89 89 GLN N N 411 119.387 119.387 119.760 -0.373 17783 12945 1 23 . 1 1 89 89 GLN HA H 411 3.644 3.644 3.998 -0.354 17783 12946 1 23 . 1 1 89 89 GLN C C 411 179.168 179.168 178.371 0.797 17783 12947 1 23 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.511 2.201 17783 12948 1 23 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.616 -0.106 17783 12949 1 23 . 1 1 89 89 GLN H H 411 8.271 8.271 8.180 0.091 17783 12950 1 23 . 1 1 90 90 ALA N N 412 118.634 118.634 123.439 -4.805 17783 12951 1 23 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.141 0.124 17783 12952 1 23 . 1 1 90 90 ALA C C 412 177.949 177.949 178.445 -0.496 17783 12953 1 23 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.636 -0.695 17783 12954 1 23 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.454 -0.127 17783 12955 1 23 . 1 1 90 90 ALA H H 412 7.794 7.794 8.597 -0.803 17783 12956 1 23 . 1 1 91 91 LYS N N 413 115.842 115.842 116.002 -0.160 17783 12957 1 23 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.205 0.127 17783 12958 1 23 . 1 1 91 91 LYS C C 413 175.829 175.829 175.902 -0.073 17783 12959 1 23 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.597 -0.227 17783 12960 1 23 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.558 -0.074 17783 12961 1 23 . 1 1 91 91 LYS H H 413 7.398 7.398 7.546 -0.148 17783 12962 1 23 . 1 1 92 92 ASN N N 414 113.776 113.776 117.324 -3.548 17783 12963 1 23 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.549 -0.013 17783 12964 1 23 . 1 1 92 92 ASN C C 414 171.075 171.075 173.719 -2.644 17783 12965 1 23 . 1 1 92 92 ASN CA C 414 54.063 54.063 52.990 1.073 17783 12966 1 23 . 1 1 92 92 ASN CB C 414 37.081 37.081 37.084 -0.003 17783 12967 1 23 . 1 1 92 92 ASN H H 414 8.178 8.178 8.038 0.140 17783 12968 1 23 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.416 0.586 17783 12969 1 23 . 1 1 93 93 PRO C C 415 175.682 175.682 176.395 -0.713 17783 12970 1 23 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.710 -0.220 17783 12971 1 23 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.353 1.232 17783 12972 1 23 . 1 1 94 94 TRP N N 416 117.925 117.925 118.352 -0.427 17783 12973 1 23 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.889 0.128 17783 12974 1 23 . 1 1 94 94 TRP C C 416 173.607 173.607 174.283 -0.676 17783 12975 1 23 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.323 -0.328 17783 12976 1 23 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.280 1.227 17783 12977 1 23 . 1 1 94 94 TRP H H 416 7.921 7.921 8.169 -0.248 17783 12978 1 23 . 1 1 95 95 ALA N N 417 123.924 123.924 124.091 -0.167 17783 12979 1 23 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.523 0.232 17783 12980 1 23 . 1 1 95 95 ALA C C 417 174.171 174.171 176.825 -2.654 17783 12981 1 23 . 1 1 95 95 ALA CA C 417 51.637 51.637 51.450 0.187 17783 12982 1 23 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.085 0.383 17783 12983 1 23 . 1 1 95 95 ALA H H 417 8.878 8.878 8.512 0.366 17783 12984 1 23 . 1 1 96 96 LYS N N 418 129.441 129.441 126.712 2.729 17783 12985 1 23 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.452 0.569 17783 12986 1 23 . 1 1 96 96 LYS C C 418 173.451 173.451 174.127 -0.676 17783 12987 1 23 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.406 0.158 17783 12988 1 23 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.498 4.485 17783 12989 1 23 . 1 1 96 96 LYS H H 418 9.235 9.235 8.102 1.133 17783 12990 1 23 . 1 1 97 97 PRO HA H 419 3.764 3.764 3.904 -0.140 17783 12991 1 23 . 1 1 97 97 PRO C C 419 178.893 178.893 177.991 0.902 17783 12992 1 23 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.091 -0.196 17783 12993 1 23 . 1 1 97 97 PRO CB C 419 32.720 32.720 31.909 0.811 17783 12994 1 23 . 1 1 98 98 LEU N N 420 126.746 126.746 125.250 1.496 17783 12995 1 23 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.861 -0.058 17783 12996 1 23 . 1 1 98 98 LEU C C 420 179.040 179.040 178.758 0.282 17783 12997 1 23 . 1 1 98 98 LEU CA C 420 57.368 57.368 58.324 -0.956 17783 12998 1 23 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.190 -1.249 17783 12999 1 23 . 1 1 98 98 LEU H H 420 9.179 9.179 8.695 0.484 17783 13000 1 23 . 1 1 99 99 ARG N N 421 118.262 118.262 116.269 1.993 17783 13001 1 23 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.862 0.197 17783 13002 1 23 . 1 1 99 99 ARG C C 421 178.140 178.140 177.015 1.125 17783 13003 1 23 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.359 0.734 17783 13004 1 23 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.641 0.315 17783 13005 1 23 . 1 1 99 99 ARG H H 421 8.014 8.014 8.337 -0.323 17783 13006 1 23 . 1 1 100 100 GLN N N 422 116.539 116.539 116.705 -0.166 17783 13007 1 23 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.275 -0.065 17783 13008 1 23 . 1 1 100 100 GLN C C 422 177.594 177.594 177.838 -0.244 17783 13009 1 23 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.504 0.229 17783 13010 1 23 . 1 1 100 100 GLN CB C 422 29.178 29.178 30.028 -0.850 17783 13011 1 23 . 1 1 100 100 GLN H H 422 7.258 7.258 7.755 -0.497 17783 13012 1 23 . 1 1 101 101 VAL N N 423 119.665 119.665 121.913 -2.248 17783 13013 1 23 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.693 -0.145 17783 13014 1 23 . 1 1 101 101 VAL C C 423 177.040 177.040 178.017 -0.977 17783 13015 1 23 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.370 0.077 17783 13016 1 23 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.491 1.062 17783 13017 1 23 . 1 1 101 101 VAL H H 423 7.090 7.090 8.432 -1.342 17783 13018 1 23 . 1 1 102 102 GLN N N 424 115.032 115.032 118.103 -3.071 17783 13019 1 23 . 1 1 102 102 GLN HA H 424 3.565 3.565 4.058 -0.493 17783 13020 1 23 . 1 1 102 102 GLN C C 424 177.994 177.994 176.574 1.420 17783 13021 1 23 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.628 1.255 17783 13022 1 23 . 1 1 102 102 GLN CB C 424 27.060 27.060 28.110 -1.050 17783 13023 1 23 . 1 1 102 102 GLN H H 424 8.553 8.553 7.888 0.665 17783 13024 1 23 . 1 1 103 103 ALA N N 425 120.742 120.742 121.338 -0.596 17783 13025 1 23 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.049 0.109 17783 13026 1 23 . 1 1 103 103 ALA C C 425 178.545 178.545 178.201 0.344 17783 13027 1 23 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.613 -0.338 17783 13028 1 23 . 1 1 103 103 ALA CB C 425 18.322 18.322 19.100 -0.778 17783 13029 1 23 . 1 1 103 103 ALA H H 425 7.366 7.366 8.078 -0.712 17783 13030 1 23 . 1 1 104 104 ASP N N 426 117.066 117.066 118.683 -1.617 17783 13031 1 23 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.520 0.188 17783 13032 1 23 . 1 1 104 104 ASP C C 426 176.876 176.876 178.615 -1.739 17783 13033 1 23 . 1 1 104 104 ASP CA C 426 55.223 55.223 56.309 -1.085 17783 13034 1 23 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.237 1.263 17783 13035 1 23 . 1 1 104 104 ASP H H 426 7.628 7.628 7.743 -0.115 17783 13036 1 23 . 1 1 105 105 LEU N N 427 119.853 119.853 121.202 -1.349 17783 13037 1 23 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.276 0.023 17783 13038 1 23 . 1 1 105 105 LEU C C 427 176.118 176.118 176.217 -0.099 17783 13039 1 23 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.655 0.331 17783 13040 1 23 . 1 1 105 105 LEU CB C 427 42.078 42.078 40.105 1.973 17783 13041 1 23 . 1 1 105 105 LEU H H 427 7.242 7.242 7.857 -0.615 17783 13042 1 24 . 1 1 2 2 ARG N N 324 121.883 121.883 119.288 2.595 17783 13043 1 24 . 1 1 2 2 ARG HA H 324 4.344 4.344 3.971 0.373 17783 13044 1 24 . 1 1 2 2 ARG C C 324 176.887 176.887 175.958 0.929 17783 13045 1 24 . 1 1 2 2 ARG CA C 324 56.505 56.505 57.184 -0.679 17783 13046 1 24 . 1 1 2 2 ARG CB C 324 30.734 30.734 29.431 1.303 17783 13047 1 24 . 1 1 2 2 ARG H H 324 8.373 8.373 8.712 -0.339 17783 13048 1 24 . 1 1 3 3 GLY N N 325 111.231 111.231 109.036 2.195 17783 13049 1 24 . 1 1 3 3 GLY C C 325 174.037 174.037 173.598 0.439 17783 13050 1 24 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.315 -0.087 17783 13051 1 24 . 1 1 3 3 GLY H H 325 8.683 8.683 8.323 0.360 17783 13052 1 24 . 1 1 4 4 SER N N 326 115.541 115.541 117.998 -2.457 17783 13053 1 24 . 1 1 4 4 SER HA H 326 4.377 4.377 4.368 0.009 17783 13054 1 24 . 1 1 4 4 SER C C 326 174.454 174.454 173.949 0.505 17783 13055 1 24 . 1 1 4 4 SER CA C 326 58.315 58.315 58.133 0.182 17783 13056 1 24 . 1 1 4 4 SER CB C 326 63.902 63.902 63.172 0.730 17783 13057 1 24 . 1 1 4 4 SER H H 326 8.237 8.237 8.000 0.237 17783 13058 1 24 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.204 0.376 17783 13059 1 24 . 1 1 10 10 HIS C C 332 175.292 175.292 177.140 -1.848 17783 13060 1 24 . 1 1 10 10 HIS CA C 332 55.946 55.946 56.023 -0.077 17783 13061 1 24 . 1 1 10 10 HIS CB C 332 30.123 30.123 30.243 -0.120 17783 13062 1 24 . 1 1 11 11 GLY N N 333 110.527 110.527 109.038 1.489 17783 13063 1 24 . 1 1 11 11 GLY C C 333 174.126 174.126 174.048 0.078 17783 13064 1 24 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.282 0.045 17783 13065 1 24 . 1 1 11 11 GLY H H 333 8.540 8.540 8.349 0.191 17783 13066 1 24 . 1 1 12 12 SER N N 334 115.752 115.752 113.861 1.891 17783 13067 1 24 . 1 1 12 12 SER HA H 334 4.436 4.436 4.047 0.389 17783 13068 1 24 . 1 1 12 12 SER C C 334 174.538 174.538 174.281 0.257 17783 13069 1 24 . 1 1 12 12 SER CA C 334 58.486 58.486 58.564 -0.078 17783 13070 1 24 . 1 1 12 12 SER CB C 334 63.927 63.927 64.295 -0.368 17783 13071 1 24 . 1 1 12 12 SER H H 334 8.356 8.356 6.780 1.576 17783 13072 1 24 . 1 1 13 13 ASN N N 335 120.410 120.410 116.527 3.883 17783 13073 1 24 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.787 -0.058 17783 13074 1 24 . 1 1 13 13 ASN C C 335 175.116 175.116 173.206 1.910 17783 13075 1 24 . 1 1 13 13 ASN CA C 335 53.386 53.386 52.346 1.040 17783 13076 1 24 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.380 -0.712 17783 13077 1 24 . 1 1 13 13 ASN H H 335 8.575 8.575 8.519 0.056 17783 13078 1 24 . 1 1 14 14 ASN N N 336 119.094 119.094 118.000 1.094 17783 13079 1 24 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.900 -0.171 17783 13080 1 24 . 1 1 14 14 ASN C C 336 175.395 175.395 173.863 1.532 17783 13081 1 24 . 1 1 14 14 ASN CA C 336 53.385 53.385 52.939 0.446 17783 13082 1 24 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.708 -0.039 17783 13083 1 24 . 1 1 14 14 ASN H H 336 8.447 8.447 8.876 -0.429 17783 13084 1 24 . 1 1 15 15 ASN N N 337 118.915 118.915 117.060 1.855 17783 13085 1 24 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.848 -0.314 17783 13086 1 24 . 1 1 15 15 ASN C C 337 176.390 176.390 174.000 2.390 17783 13087 1 24 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.772 0.219 17783 13088 1 24 . 1 1 15 15 ASN CB C 337 38.621 38.621 38.729 -0.108 17783 13089 1 24 . 1 1 15 15 ASN H H 337 8.446 8.446 8.649 -0.203 17783 13090 1 24 . 1 1 16 16 GLY N N 338 108.851 108.851 108.439 0.412 17783 13091 1 24 . 1 1 16 16 GLY C C 338 175.459 175.459 174.800 0.659 17783 13092 1 24 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.658 1.094 17783 13093 1 24 . 1 1 16 16 GLY H H 338 8.454 8.454 7.824 0.630 17783 13094 1 24 . 1 1 17 17 SER N N 339 116.218 116.218 115.863 0.355 17783 13095 1 24 . 1 1 17 17 SER HA H 339 4.229 4.229 4.278 -0.049 17783 13096 1 24 . 1 1 17 17 SER C C 339 175.869 175.869 175.840 0.029 17783 13097 1 24 . 1 1 17 17 SER CA C 339 59.759 59.759 58.723 1.036 17783 13098 1 24 . 1 1 17 17 SER CB C 339 62.973 62.973 63.078 -0.105 17783 13099 1 24 . 1 1 17 17 SER H H 339 8.170 8.170 8.351 -0.181 17783 13100 1 24 . 1 1 18 18 LEU N N 340 121.515 121.515 119.281 2.234 17783 13101 1 24 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.040 -0.038 17783 13102 1 24 . 1 1 18 18 LEU C C 340 178.399 178.399 177.920 0.479 17783 13103 1 24 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.161 -0.010 17783 13104 1 24 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.740 0.336 17783 13105 1 24 . 1 1 18 18 LEU H H 340 7.790 7.790 7.670 0.120 17783 13106 1 24 . 1 1 19 19 LYS N N 341 117.145 117.145 117.046 0.099 17783 13107 1 24 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.025 -0.217 17783 13108 1 24 . 1 1 19 19 LYS C C 341 176.960 176.960 178.700 -1.740 17783 13109 1 24 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.645 0.547 17783 13110 1 24 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.575 0.218 17783 13111 1 24 . 1 1 19 19 LYS H H 341 7.893 7.893 7.663 0.230 17783 13112 1 24 . 1 1 20 20 SER N N 342 110.377 110.377 114.962 -4.585 17783 13113 1 24 . 1 1 20 20 SER HA H 342 4.369 4.369 4.408 -0.039 17783 13114 1 24 . 1 1 20 20 SER C C 342 173.735 173.735 173.542 0.193 17783 13115 1 24 . 1 1 20 20 SER CA C 342 58.141 58.141 58.042 0.099 17783 13116 1 24 . 1 1 20 20 SER CB C 342 63.900 63.900 61.791 2.110 17783 13117 1 24 . 1 1 20 20 SER H H 342 7.546 7.546 7.819 -0.273 17783 13118 1 24 . 1 1 21 21 ALA N N 343 125.662 125.662 124.911 0.751 17783 13119 1 24 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.555 -0.193 17783 13120 1 24 . 1 1 21 21 ALA C C 343 174.051 174.051 174.598 -0.547 17783 13121 1 24 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.973 0.599 17783 13122 1 24 . 1 1 21 21 ALA CB C 343 18.134 18.134 19.985 -1.851 17783 13123 1 24 . 1 1 21 21 ALA H H 343 6.852 6.852 7.926 -1.074 17783 13124 1 24 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.371 -0.133 17783 13125 1 24 . 1 1 22 22 PRO C C 344 178.184 178.184 176.218 1.966 17783 13126 1 24 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.694 0.388 17783 13127 1 24 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.846 0.757 17783 13128 1 24 . 1 1 23 23 SER N N 345 118.662 118.662 118.854 -0.192 17783 13129 1 24 . 1 1 23 23 SER HA H 345 3.825 3.825 4.273 -0.448 17783 13130 1 24 . 1 1 23 23 SER C C 345 174.231 174.231 174.483 -0.252 17783 13131 1 24 . 1 1 23 23 SER CA C 345 60.892 60.892 58.776 2.116 17783 13132 1 24 . 1 1 23 23 SER CB C 345 63.223 63.223 62.968 0.255 17783 13133 1 24 . 1 1 23 23 SER H H 345 8.566 8.566 8.222 0.344 17783 13134 1 24 . 1 1 24 24 SER N N 346 111.938 111.938 115.843 -3.905 17783 13135 1 24 . 1 1 24 24 SER HA H 346 4.383 4.383 4.569 -0.186 17783 13136 1 24 . 1 1 24 24 SER C C 346 175.152 175.152 174.169 0.983 17783 13137 1 24 . 1 1 24 24 SER CA C 346 58.247 58.247 58.888 -0.641 17783 13138 1 24 . 1 1 24 24 SER CB C 346 63.958 63.958 63.242 0.716 17783 13139 1 24 . 1 1 24 24 SER H H 346 7.675 7.675 8.161 -0.486 17783 13140 1 24 . 1 1 25 25 HIS N N 347 122.882 122.882 120.565 2.317 17783 13141 1 24 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.945 -0.095 17783 13142 1 24 . 1 1 25 25 HIS C C 347 173.574 173.574 174.444 -0.870 17783 13143 1 24 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.271 0.804 17783 13144 1 24 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.975 0.873 17783 13145 1 24 . 1 1 25 25 HIS H H 347 7.628 7.628 7.213 0.415 17783 13146 1 24 . 1 1 26 26 TYR N N 348 117.921 117.921 124.180 -6.259 17783 13147 1 24 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.738 0.251 17783 13148 1 24 . 1 1 26 26 TYR C C 348 174.086 174.086 174.662 -0.576 17783 13149 1 24 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.426 -0.239 17783 13150 1 24 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.564 2.270 17783 13151 1 24 . 1 1 26 26 TYR H H 348 9.606 9.606 9.371 0.235 17783 13152 1 24 . 1 1 27 27 THR N N 349 115.914 115.914 112.351 3.563 17783 13153 1 24 . 1 1 27 27 THR HA H 349 5.027 5.027 4.731 0.296 17783 13154 1 24 . 1 1 27 27 THR C C 349 172.904 172.904 172.285 0.619 17783 13155 1 24 . 1 1 27 27 THR CA C 349 58.835 58.835 60.215 -1.380 17783 13156 1 24 . 1 1 27 27 THR CB C 349 70.587 70.587 72.063 -1.476 17783 13157 1 24 . 1 1 27 27 THR H H 349 8.974 8.974 8.041 0.933 17783 13158 1 24 . 1 1 28 28 LEU N N 350 123.392 123.392 118.280 5.112 17783 13159 1 24 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.532 0.457 17783 13160 1 24 . 1 1 28 28 LEU C C 350 176.111 176.111 175.062 1.049 17783 13161 1 24 . 1 1 28 28 LEU CA C 350 53.098 53.098 53.965 -0.867 17783 13162 1 24 . 1 1 28 28 LEU CB C 350 44.870 44.870 45.183 -0.313 17783 13163 1 24 . 1 1 28 28 LEU H H 350 8.249 8.249 8.501 -0.252 17783 13164 1 24 . 1 1 29 29 GLN N N 351 122.797 122.797 118.812 3.985 17783 13165 1 24 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.644 -0.091 17783 13166 1 24 . 1 1 29 29 GLN C C 351 175.435 175.435 175.684 -0.249 17783 13167 1 24 . 1 1 29 29 GLN CA C 351 55.943 55.943 53.886 2.057 17783 13168 1 24 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.325 -3.094 17783 13169 1 24 . 1 1 29 29 GLN H H 351 8.915 8.915 7.768 1.147 17783 13170 1 24 . 1 1 30 30 LEU N N 352 125.239 125.239 127.994 -2.755 17783 13171 1 24 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.455 -0.088 17783 13172 1 24 . 1 1 30 30 LEU C C 352 177.250 177.250 177.694 -0.444 17783 13173 1 24 . 1 1 30 30 LEU CA C 352 56.101 56.101 56.822 -0.721 17783 13174 1 24 . 1 1 30 30 LEU CB C 352 43.100 43.100 42.982 0.118 17783 13175 1 24 . 1 1 30 30 LEU H H 352 8.920 8.920 8.315 0.605 17783 13176 1 24 . 1 1 31 31 SER N N 353 106.816 106.816 109.733 -2.917 17783 13177 1 24 . 1 1 31 31 SER HA H 353 4.493 4.493 4.661 -0.168 17783 13178 1 24 . 1 1 31 31 SER C C 353 171.831 171.831 172.274 -0.443 17783 13179 1 24 . 1 1 31 31 SER CA C 353 57.160 57.160 57.365 -0.206 17783 13180 1 24 . 1 1 31 31 SER CB C 353 64.360 64.360 64.395 -0.035 17783 13181 1 24 . 1 1 31 31 SER H H 353 7.548 7.548 8.596 -1.048 17783 13182 1 24 . 1 1 32 32 SER N N 354 113.518 113.518 115.082 -1.564 17783 13183 1 24 . 1 1 32 32 SER HA H 354 5.026 5.026 4.156 0.870 17783 13184 1 24 . 1 1 32 32 SER C C 354 172.512 172.512 171.340 1.172 17783 13185 1 24 . 1 1 32 32 SER CA C 354 57.285 57.285 57.114 0.171 17783 13186 1 24 . 1 1 32 32 SER CB C 354 65.347 65.347 63.933 1.414 17783 13187 1 24 . 1 1 32 32 SER H H 354 8.127 8.127 8.199 -0.072 17783 13188 1 24 . 1 1 33 33 SER N N 355 114.624 114.624 115.862 -1.238 17783 13189 1 24 . 1 1 33 33 SER HA H 355 4.106 4.106 4.191 -0.085 17783 13190 1 24 . 1 1 33 33 SER C C 355 171.639 171.639 172.238 -0.599 17783 13191 1 24 . 1 1 33 33 SER CA C 355 57.276 57.276 57.595 -0.319 17783 13192 1 24 . 1 1 33 33 SER CB C 355 64.539 64.539 64.477 0.062 17783 13193 1 24 . 1 1 33 33 SER H H 355 8.616 8.616 6.472 2.144 17783 13194 1 24 . 1 1 34 34 SER N N 356 116.467 116.467 116.209 0.258 17783 13195 1 24 . 1 1 34 34 SER HA H 356 4.241 4.241 4.860 -0.619 17783 13196 1 24 . 1 1 34 34 SER C C 356 173.820 173.820 173.161 0.659 17783 13197 1 24 . 1 1 34 34 SER CA C 356 59.074 59.074 57.740 1.334 17783 13198 1 24 . 1 1 34 34 SER CB C 356 63.741 63.741 63.237 0.504 17783 13199 1 24 . 1 1 34 34 SER H H 356 8.132 8.132 8.388 -0.256 17783 13200 1 24 . 1 1 35 35 ASN N N 357 122.206 122.206 119.812 2.394 17783 13201 1 24 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.033 -0.112 17783 13202 1 24 . 1 1 35 35 ASN C C 357 172.965 172.965 174.177 -1.212 17783 13203 1 24 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.280 -0.833 17783 13204 1 24 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.206 0.719 17783 13205 1 24 . 1 1 35 35 ASN H H 357 8.511 8.511 8.389 0.122 17783 13206 1 24 . 1 1 36 36 TYR N N 358 127.519 127.519 126.294 1.225 17783 13207 1 24 . 1 1 36 36 TYR HA H 358 2.972 2.972 4.002 -1.030 17783 13208 1 24 . 1 1 36 36 TYR C C 358 176.522 176.522 176.335 0.187 17783 13209 1 24 . 1 1 36 36 TYR CA C 358 61.969 61.969 62.365 -0.396 17783 13210 1 24 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.867 -1.156 17783 13211 1 24 . 1 1 36 36 TYR H H 358 8.002 8.002 8.715 -0.713 17783 13212 1 24 . 1 1 37 37 ASP N N 359 118.658 118.658 118.099 0.559 17783 13213 1 24 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.517 -0.373 17783 13214 1 24 . 1 1 37 37 ASP C C 359 179.804 179.804 177.310 2.494 17783 13215 1 24 . 1 1 37 37 ASP CA C 359 57.503 57.503 56.672 0.831 17783 13216 1 24 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.533 -0.355 17783 13217 1 24 . 1 1 37 37 ASP H H 359 8.033 8.033 8.963 -0.930 17783 13218 1 24 . 1 1 38 38 ASN N N 360 119.802 119.802 116.411 3.391 17783 13219 1 24 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.746 -0.443 17783 13220 1 24 . 1 1 38 38 ASN C C 360 177.720 177.720 177.077 0.643 17783 13221 1 24 . 1 1 38 38 ASN CA C 360 55.450 55.450 54.596 0.854 17783 13222 1 24 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.264 -0.501 17783 13223 1 24 . 1 1 38 38 ASN H H 360 8.380 8.380 8.292 0.088 17783 13224 1 24 . 1 1 39 39 LEU N N 361 121.625 121.625 122.375 -0.750 17783 13225 1 24 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.229 -0.132 17783 13226 1 24 . 1 1 39 39 LEU C C 361 177.738 177.738 177.631 0.107 17783 13227 1 24 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.363 -0.798 17783 13228 1 24 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.870 0.858 17783 13229 1 24 . 1 1 39 39 LEU H H 361 7.243 7.243 8.220 -0.977 17783 13230 1 24 . 1 1 40 40 ASN N N 362 116.601 116.601 116.943 -0.342 17783 13231 1 24 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.338 -0.193 17783 13232 1 24 . 1 1 40 40 ASN C C 362 177.253 177.253 177.857 -0.604 17783 13233 1 24 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.354 0.173 17783 13234 1 24 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.131 2.195 17783 13235 1 24 . 1 1 40 40 ASN H H 362 8.284 8.284 7.938 0.346 17783 13236 1 24 . 1 1 41 41 GLY N N 363 104.958 104.958 108.570 -3.612 17783 13237 1 24 . 1 1 41 41 GLY C C 363 176.323 176.323 175.949 0.374 17783 13238 1 24 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.999 -0.160 17783 13239 1 24 . 1 1 41 41 GLY H H 363 8.334 8.334 7.878 0.456 17783 13240 1 24 . 1 1 42 42 TRP N N 364 125.066 125.066 124.110 0.956 17783 13241 1 24 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.298 -0.072 17783 13242 1 24 . 1 1 42 42 TRP C C 364 176.509 176.509 177.065 -0.556 17783 13243 1 24 . 1 1 42 42 TRP CA C 364 61.489 61.489 61.028 0.461 17783 13244 1 24 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.616 -1.740 17783 13245 1 24 . 1 1 42 42 TRP H H 364 7.833 7.833 7.867 -0.034 17783 13246 1 24 . 1 1 43 43 ALA N N 365 120.030 120.030 121.862 -1.832 17783 13247 1 24 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.286 -0.292 17783 13248 1 24 . 1 1 43 43 ALA C C 365 179.186 179.186 179.443 -0.257 17783 13249 1 24 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.208 -0.207 17783 13250 1 24 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.941 -0.853 17783 13251 1 24 . 1 1 43 43 ALA H H 365 7.701 7.701 9.083 -1.382 17783 13252 1 24 . 1 1 44 44 LYS N N 366 115.064 115.064 115.785 -0.721 17783 13253 1 24 . 1 1 44 44 LYS HA H 366 4.033 4.033 3.970 0.063 17783 13254 1 24 . 1 1 44 44 LYS C C 366 180.830 180.830 178.680 2.150 17783 13255 1 24 . 1 1 44 44 LYS CA C 366 58.991 58.991 57.841 1.150 17783 13256 1 24 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.198 0.152 17783 13257 1 24 . 1 1 44 44 LYS H H 366 7.562 7.562 7.854 -0.292 17783 13258 1 24 . 1 1 45 45 LYS N N 367 123.180 123.180 120.133 3.047 17783 13259 1 24 . 1 1 45 45 LYS HA H 367 3.907 3.907 3.971 -0.064 17783 13260 1 24 . 1 1 45 45 LYS C C 367 178.319 178.319 178.504 -0.185 17783 13261 1 24 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.572 0.472 17783 13262 1 24 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.131 -0.065 17783 13263 1 24 . 1 1 45 45 LYS H H 367 8.067 8.067 7.292 0.775 17783 13264 1 24 . 1 1 46 46 GLU N N 368 114.882 114.882 114.797 0.085 17783 13265 1 24 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.063 -0.146 17783 13266 1 24 . 1 1 46 46 GLU C C 368 174.639 174.639 175.374 -0.735 17783 13267 1 24 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.069 -1.053 17783 13268 1 24 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.070 -1.393 17783 13269 1 24 . 1 1 46 46 GLU H H 368 7.488 7.488 7.386 0.102 17783 13270 1 24 . 1 1 47 47 ASN N N 369 114.944 114.944 115.197 -0.253 17783 13271 1 24 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.231 0.041 17783 13272 1 24 . 1 1 47 47 ASN C C 369 174.759 174.759 174.768 -0.009 17783 13273 1 24 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.589 0.115 17783 13274 1 24 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.967 0.092 17783 13275 1 24 . 1 1 47 47 ASN H H 369 7.772 7.772 7.175 0.597 17783 13276 1 24 . 1 1 48 48 LEU N N 370 116.008 116.008 117.770 -1.762 17783 13277 1 24 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.970 0.150 17783 13278 1 24 . 1 1 48 48 LEU C C 370 177.056 177.056 176.206 0.850 17783 13279 1 24 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.276 -0.158 17783 13280 1 24 . 1 1 48 48 LEU CB C 370 41.917 41.917 41.750 0.167 17783 13281 1 24 . 1 1 48 48 LEU H H 370 7.463 7.463 7.092 0.371 17783 13282 1 24 . 1 1 49 49 LYS N N 371 120.012 120.012 123.723 -3.711 17783 13283 1 24 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.463 0.097 17783 13284 1 24 . 1 1 49 49 LYS C C 371 176.481 176.481 176.276 0.205 17783 13285 1 24 . 1 1 49 49 LYS CA C 371 55.329 55.329 56.127 -0.798 17783 13286 1 24 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.279 1.276 17783 13287 1 24 . 1 1 49 49 LYS H H 371 8.518 8.518 8.362 0.156 17783 13288 1 24 . 1 1 50 50 ASN N N 372 117.610 117.610 117.472 0.138 17783 13289 1 24 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.385 0.129 17783 13290 1 24 . 1 1 50 50 ASN C C 372 173.445 173.445 173.963 -0.518 17783 13291 1 24 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.115 -0.678 17783 13292 1 24 . 1 1 50 50 ASN CB C 372 37.932 37.932 36.827 1.105 17783 13293 1 24 . 1 1 50 50 ASN H H 372 8.734 8.734 9.013 -0.279 17783 13294 1 24 . 1 1 51 51 TYR N N 373 117.151 117.151 114.533 2.618 17783 13295 1 24 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.385 0.010 17783 13296 1 24 . 1 1 51 51 TYR C C 373 173.549 173.549 174.645 -1.096 17783 13297 1 24 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.737 0.045 17783 13298 1 24 . 1 1 51 51 TYR CB C 373 40.411 40.411 41.035 -0.624 17783 13299 1 24 . 1 1 51 51 TYR H H 373 7.570 7.570 7.869 -0.299 17783 13300 1 24 . 1 1 52 52 VAL N N 374 120.887 120.887 119.362 1.525 17783 13301 1 24 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.407 -0.109 17783 13302 1 24 . 1 1 52 52 VAL C C 374 174.289 174.289 174.938 -0.649 17783 13303 1 24 . 1 1 52 52 VAL CA C 374 61.714 61.714 60.550 1.164 17783 13304 1 24 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.637 1.947 17783 13305 1 24 . 1 1 52 52 VAL H H 374 9.140 9.140 8.403 0.737 17783 13306 1 24 . 1 1 53 53 VAL N N 375 126.060 126.060 121.440 4.620 17783 13307 1 24 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.461 0.954 17783 13308 1 24 . 1 1 53 53 VAL C C 375 175.803 175.803 175.643 0.160 17783 13309 1 24 . 1 1 53 53 VAL CA C 375 60.656 60.656 61.145 -0.489 17783 13310 1 24 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.549 1.187 17783 13311 1 24 . 1 1 53 53 VAL H H 375 8.600 8.600 8.243 0.357 17783 13312 1 24 . 1 1 54 54 TYR N N 376 125.706 125.706 123.822 1.884 17783 13313 1 24 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.037 0.385 17783 13314 1 24 . 1 1 54 54 TYR C C 376 172.139 172.139 173.669 -1.530 17783 13315 1 24 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.630 -0.501 17783 13316 1 24 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.053 1.604 17783 13317 1 24 . 1 1 54 54 TYR H H 376 9.292 9.292 7.997 1.295 17783 13318 1 24 . 1 1 55 55 GLU N N 377 122.063 122.063 120.588 1.475 17783 13319 1 24 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.843 0.871 17783 13320 1 24 . 1 1 55 55 GLU C C 377 175.011 175.011 175.471 -0.460 17783 13321 1 24 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.892 -0.749 17783 13322 1 24 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.098 2.561 17783 13323 1 24 . 1 1 55 55 GLU H H 377 8.758 8.758 8.607 0.151 17783 13324 1 24 . 1 1 56 56 THR N N 378 122.855 122.855 113.769 9.086 17783 13325 1 24 . 1 1 56 56 THR HA H 378 4.848 4.848 4.878 -0.030 17783 13326 1 24 . 1 1 56 56 THR C C 378 173.550 173.550 173.582 -0.032 17783 13327 1 24 . 1 1 56 56 THR CA C 378 58.732 58.732 59.958 -1.226 17783 13328 1 24 . 1 1 56 56 THR CB C 378 70.181 70.181 70.964 -0.783 17783 13329 1 24 . 1 1 56 56 THR H H 378 9.160 9.160 7.679 1.481 17783 13330 1 24 . 1 1 57 57 THR N N 379 116.629 116.629 113.773 2.856 17783 13331 1 24 . 1 1 57 57 THR HA H 379 5.145 5.145 4.574 0.571 17783 13332 1 24 . 1 1 57 57 THR C C 379 173.973 173.973 173.148 0.825 17783 13333 1 24 . 1 1 57 57 THR CA C 379 60.517 60.517 60.981 -0.464 17783 13334 1 24 . 1 1 57 57 THR CB C 379 71.582 71.582 70.085 1.496 17783 13335 1 24 . 1 1 57 57 THR H H 379 8.677 8.677 8.314 0.363 17783 13336 1 24 . 1 1 58 58 ARG N N 380 124.546 124.546 125.135 -0.589 17783 13337 1 24 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.485 -0.177 17783 13338 1 24 . 1 1 58 58 ARG C C 380 176.074 176.074 174.438 1.636 17783 13339 1 24 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.540 -1.030 17783 13340 1 24 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.339 1.134 17783 13341 1 24 . 1 1 58 58 ARG H H 380 9.117 9.117 8.712 0.405 17783 13342 1 24 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.500 -0.194 17783 13343 1 24 . 1 1 59 59 ASN C C 381 175.444 175.444 176.195 -0.751 17783 13344 1 24 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.718 0.519 17783 13345 1 24 . 1 1 59 59 ASN CB C 381 37.213 37.213 36.874 0.339 17783 13346 1 24 . 1 1 60 60 GLY N N 382 103.015 103.015 104.686 -1.671 17783 13347 1 24 . 1 1 60 60 GLY C C 382 173.488 173.488 173.769 -0.281 17783 13348 1 24 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.151 -0.679 17783 13349 1 24 . 1 1 60 60 GLY H H 382 8.639 8.639 8.848 -0.209 17783 13350 1 24 . 1 1 61 61 GLN N N 383 119.903 119.903 118.854 1.049 17783 13351 1 24 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.706 0.294 17783 13352 1 24 . 1 1 61 61 GLN C C 383 172.730 172.730 173.518 -0.788 17783 13353 1 24 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.389 0.302 17783 13354 1 24 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.587 0.124 17783 13355 1 24 . 1 1 61 61 GLN H H 383 7.697 7.697 8.017 -0.320 17783 13356 1 24 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.486 0.128 17783 13357 1 24 . 1 1 62 62 PRO C C 384 175.576 175.576 175.324 0.252 17783 13358 1 24 . 1 1 62 62 PRO CA C 384 64.002 64.002 62.818 1.184 17783 13359 1 24 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.041 0.504 17783 13360 1 24 . 1 1 63 63 TRP N N 385 126.621 126.621 124.141 2.480 17783 13361 1 24 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.737 -0.226 17783 13362 1 24 . 1 1 63 63 TRP C C 385 172.096 172.096 173.594 -1.498 17783 13363 1 24 . 1 1 63 63 TRP CA C 385 56.082 56.082 56.270 -0.188 17783 13364 1 24 . 1 1 63 63 TRP CB C 385 34.174 34.174 33.032 1.142 17783 13365 1 24 . 1 1 63 63 TRP H H 385 8.063 8.063 7.604 0.459 17783 13366 1 24 . 1 1 64 64 TYR N N 386 124.129 124.129 121.942 2.187 17783 13367 1 24 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.430 0.788 17783 13368 1 24 . 1 1 64 64 TYR C C 386 173.544 173.544 174.140 -0.596 17783 13369 1 24 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.089 0.680 17783 13370 1 24 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.248 3.185 17783 13371 1 24 . 1 1 64 64 TYR H H 386 7.954 7.954 7.396 0.558 17783 13372 1 24 . 1 1 65 65 VAL N N 387 121.167 121.167 122.330 -1.163 17783 13373 1 24 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.456 -0.593 17783 13374 1 24 . 1 1 65 65 VAL C C 387 172.675 172.675 174.546 -1.871 17783 13375 1 24 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.661 0.596 17783 13376 1 24 . 1 1 65 65 VAL CB C 387 34.133 34.133 34.025 0.108 17783 13377 1 24 . 1 1 65 65 VAL H H 387 8.409 8.409 7.512 0.897 17783 13378 1 24 . 1 1 66 66 LEU N N 388 127.479 127.479 125.378 2.101 17783 13379 1 24 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.953 0.470 17783 13380 1 24 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.242 0.254 17783 13381 1 24 . 1 1 66 66 LEU CB C 388 44.755 44.755 44.763 -0.008 17783 13382 1 24 . 1 1 66 66 LEU H H 388 8.200 8.200 8.110 0.090 17783 13383 1 24 . 1 1 67 67 VAL N N 389 120.778 120.778 113.556 7.222 17783 13384 1 24 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.628 1.212 17783 13385 1 24 . 1 1 67 67 VAL C C 389 174.934 174.934 174.529 0.405 17783 13386 1 24 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.417 -2.590 17783 13387 1 24 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.930 -1.237 17783 13388 1 24 . 1 1 67 67 VAL H H 389 9.314 9.314 8.365 0.949 17783 13389 1 24 . 1 1 68 68 SER N N 390 113.588 113.588 119.177 -5.589 17783 13390 1 24 . 1 1 68 68 SER HA H 390 4.850 4.850 5.327 -0.477 17783 13391 1 24 . 1 1 68 68 SER C C 390 174.691 174.691 176.078 -1.387 17783 13392 1 24 . 1 1 68 68 SER CA C 390 58.213 58.213 57.108 1.105 17783 13393 1 24 . 1 1 68 68 SER CB C 390 66.007 66.007 64.149 1.858 17783 13394 1 24 . 1 1 68 68 SER H H 390 8.803 8.803 8.584 0.219 17783 13395 1 24 . 1 1 69 69 GLY N N 391 115.161 115.161 116.136 -0.975 17783 13396 1 24 . 1 1 69 69 GLY C C 391 172.208 172.208 173.211 -1.003 17783 13397 1 24 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.795 -1.470 17783 13398 1 24 . 1 1 69 69 GLY H H 391 8.436 8.436 8.205 0.231 17783 13399 1 24 . 1 1 70 70 VAL N N 392 117.033 117.033 115.997 1.036 17783 13400 1 24 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.403 0.077 17783 13401 1 24 . 1 1 70 70 VAL C C 392 174.635 174.635 173.751 0.884 17783 13402 1 24 . 1 1 70 70 VAL CA C 392 62.203 62.203 60.774 1.429 17783 13403 1 24 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.914 0.323 17783 13404 1 24 . 1 1 70 70 VAL H H 392 7.188 7.188 7.697 -0.509 17783 13405 1 24 . 1 1 71 71 TYR N N 393 124.867 124.867 120.573 4.294 17783 13406 1 24 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.879 -0.078 17783 13407 1 24 . 1 1 71 71 TYR C C 393 175.550 175.550 176.318 -0.768 17783 13408 1 24 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.058 -0.773 17783 13409 1 24 . 1 1 71 71 TYR CB C 393 42.543 42.543 41.267 1.276 17783 13410 1 24 . 1 1 71 71 TYR H H 393 9.517 9.517 9.076 0.441 17783 13411 1 24 . 1 1 72 72 ALA N N 394 124.217 124.217 126.683 -2.466 17783 13412 1 24 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.737 -0.966 17783 13413 1 24 . 1 1 72 72 ALA C C 394 175.911 175.911 178.249 -2.338 17783 13414 1 24 . 1 1 72 72 ALA CA C 394 53.257 53.257 55.162 -1.905 17783 13415 1 24 . 1 1 72 72 ALA CB C 394 19.021 19.021 18.836 0.185 17783 13416 1 24 . 1 1 72 72 ALA H H 394 8.984 8.984 8.753 0.231 17783 13417 1 24 . 1 1 73 73 SER N N 395 106.325 106.325 108.808 -2.483 17783 13418 1 24 . 1 1 73 73 SER HA H 395 4.769 4.769 4.816 -0.047 17783 13419 1 24 . 1 1 73 73 SER C C 395 173.686 173.686 174.548 -0.862 17783 13420 1 24 . 1 1 73 73 SER CA C 395 56.031 56.031 55.949 0.082 17783 13421 1 24 . 1 1 73 73 SER CB C 395 66.773 66.773 64.262 2.511 17783 13422 1 24 . 1 1 73 73 SER H H 395 7.251 7.251 7.770 -0.519 17783 13423 1 24 . 1 1 74 74 LYS N N 396 123.531 123.531 119.993 3.538 17783 13424 1 24 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.793 -0.899 17783 13425 1 24 . 1 1 74 74 LYS C C 396 178.040 178.040 177.644 0.396 17783 13426 1 24 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.913 1.630 17783 13427 1 24 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.793 -0.157 17783 13428 1 24 . 1 1 74 74 LYS H H 396 8.742 8.742 8.379 0.363 17783 13429 1 24 . 1 1 75 75 GLU N N 397 118.740 118.740 118.541 0.199 17783 13430 1 24 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.945 -0.131 17783 13431 1 24 . 1 1 75 75 GLU C C 397 179.136 179.136 178.178 0.958 17783 13432 1 24 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.305 0.772 17783 13433 1 24 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.014 -0.266 17783 13434 1 24 . 1 1 75 75 GLU H H 397 8.529 8.529 7.575 0.954 17783 13435 1 24 . 1 1 76 76 GLU N N 398 119.987 119.987 119.464 0.523 17783 13436 1 24 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.236 -0.401 17783 13437 1 24 . 1 1 76 76 GLU C C 398 178.564 178.564 177.417 1.147 17783 13438 1 24 . 1 1 76 76 GLU CA C 398 59.362 59.362 57.377 1.985 17783 13439 1 24 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.648 0.782 17783 13440 1 24 . 1 1 76 76 GLU H H 398 7.804 7.804 8.137 -0.333 17783 13441 1 24 . 1 1 77 77 ALA N N 399 122.630 122.630 121.582 1.048 17783 13442 1 24 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.406 -0.818 17783 13443 1 24 . 1 1 77 77 ALA C C 399 177.764 177.764 178.608 -0.844 17783 13444 1 24 . 1 1 77 77 ALA CA C 399 54.361 54.361 53.973 0.388 17783 13445 1 24 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.316 -0.651 17783 13446 1 24 . 1 1 77 77 ALA H H 399 7.294 7.294 7.383 -0.089 17783 13447 1 24 . 1 1 78 78 LYS N N 400 115.403 115.403 119.304 -3.901 17783 13448 1 24 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.969 -0.199 17783 13449 1 24 . 1 1 78 78 LYS C C 400 180.700 180.700 178.901 1.799 17783 13450 1 24 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.319 0.223 17783 13451 1 24 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.347 -0.514 17783 13452 1 24 . 1 1 78 78 LYS H H 400 8.001 8.001 7.691 0.310 17783 13453 1 24 . 1 1 79 79 LYS N N 401 119.756 119.756 117.720 2.036 17783 13454 1 24 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.225 -0.256 17783 13455 1 24 . 1 1 79 79 LYS C C 401 178.347 178.347 178.655 -0.308 17783 13456 1 24 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.186 0.790 17783 13457 1 24 . 1 1 79 79 LYS CB C 401 32.298 32.298 31.743 0.555 17783 13458 1 24 . 1 1 79 79 LYS H H 401 7.788 7.788 7.978 -0.190 17783 13459 1 24 . 1 1 80 80 ALA N N 402 120.725 120.725 123.544 -2.819 17783 13460 1 24 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.158 -0.015 17783 13461 1 24 . 1 1 80 80 ALA C C 402 180.118 180.118 179.087 1.031 17783 13462 1 24 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.463 -0.691 17783 13463 1 24 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.799 0.670 17783 13464 1 24 . 1 1 80 80 ALA H H 402 7.334 7.334 7.555 -0.221 17783 13465 1 24 . 1 1 81 81 VAL N N 403 120.431 120.431 118.624 1.807 17783 13466 1 24 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.661 -0.299 17783 13467 1 24 . 1 1 81 81 VAL C C 403 177.205 177.205 177.634 -0.429 17783 13468 1 24 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.301 1.427 17783 13469 1 24 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.436 0.297 17783 13470 1 24 . 1 1 81 81 VAL H H 403 7.480 7.480 7.639 -0.159 17783 13471 1 24 . 1 1 82 82 SER N N 404 110.126 110.126 114.397 -4.271 17783 13472 1 24 . 1 1 82 82 SER HA H 404 4.143 4.143 4.244 -0.101 17783 13473 1 24 . 1 1 82 82 SER C C 404 174.813 174.813 175.880 -1.067 17783 13474 1 24 . 1 1 82 82 SER CA C 404 60.751 60.751 60.459 0.292 17783 13475 1 24 . 1 1 82 82 SER CB C 404 63.287 63.287 63.254 0.033 17783 13476 1 24 . 1 1 82 82 SER H H 404 7.326 7.326 7.711 -0.385 17783 13477 1 24 . 1 1 83 83 THR N N 405 110.438 110.438 115.265 -4.827 17783 13478 1 24 . 1 1 83 83 THR HA H 405 4.461 4.461 4.211 0.250 17783 13479 1 24 . 1 1 83 83 THR C C 405 175.081 175.081 175.635 -0.554 17783 13480 1 24 . 1 1 83 83 THR CA C 405 61.761 61.761 63.928 -2.167 17783 13481 1 24 . 1 1 83 83 THR CB C 405 69.795 69.795 69.254 0.541 17783 13482 1 24 . 1 1 83 83 THR H H 405 7.634 7.634 7.932 -0.298 17783 13483 1 24 . 1 1 84 84 LEU N N 406 123.244 123.244 122.978 0.266 17783 13484 1 24 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.282 0.358 17783 13485 1 24 . 1 1 84 84 LEU C C 406 174.599 174.599 175.560 -0.961 17783 13486 1 24 . 1 1 84 84 LEU CA C 406 53.295 53.295 54.042 -0.747 17783 13487 1 24 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.064 -0.355 17783 13488 1 24 . 1 1 84 84 LEU H H 406 7.478 7.478 7.745 -0.267 17783 13489 1 24 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.515 -0.022 17783 13490 1 24 . 1 1 85 85 PRO C C 407 177.743 177.743 177.358 0.385 17783 13491 1 24 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.323 0.821 17783 13492 1 24 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.507 0.414 17783 13493 1 24 . 1 1 86 86 ALA N N 408 128.809 128.809 122.572 6.237 17783 13494 1 24 . 1 1 86 86 ALA HA H 408 3.946 3.946 3.983 -0.037 17783 13495 1 24 . 1 1 86 86 ALA C C 408 180.517 180.517 179.145 1.372 17783 13496 1 24 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.452 1.053 17783 13497 1 24 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.699 -0.354 17783 13498 1 24 . 1 1 86 86 ALA H H 408 9.168 9.168 8.546 0.622 17783 13499 1 24 . 1 1 87 87 ASP N N 409 116.520 116.520 118.487 -1.967 17783 13500 1 24 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.444 0.018 17783 13501 1 24 . 1 1 87 87 ASP C C 409 178.081 178.081 177.568 0.513 17783 13502 1 24 . 1 1 87 87 ASP CA C 409 56.935 56.935 56.949 -0.014 17783 13503 1 24 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.111 0.248 17783 13504 1 24 . 1 1 87 87 ASP H H 409 9.359 9.359 8.780 0.579 17783 13505 1 24 . 1 1 88 88 VAL N N 410 117.452 117.452 117.211 0.241 17783 13506 1 24 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.108 -0.019 17783 13507 1 24 . 1 1 88 88 VAL C C 410 178.675 178.675 177.984 0.691 17783 13508 1 24 . 1 1 88 88 VAL CA C 410 64.875 64.875 64.935 -0.060 17783 13509 1 24 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.256 -0.971 17783 13510 1 24 . 1 1 88 88 VAL H H 410 7.355 7.355 7.332 0.023 17783 13511 1 24 . 1 1 89 89 GLN N N 411 119.387 119.387 119.907 -0.520 17783 13512 1 24 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.113 -0.469 17783 13513 1 24 . 1 1 89 89 GLN C C 411 179.168 179.168 177.809 1.359 17783 13514 1 24 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.011 2.701 17783 13515 1 24 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.757 -0.247 17783 13516 1 24 . 1 1 89 89 GLN H H 411 8.271 8.271 8.319 -0.048 17783 13517 1 24 . 1 1 90 90 ALA N N 412 118.634 118.634 120.773 -2.139 17783 13518 1 24 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.304 -0.039 17783 13519 1 24 . 1 1 90 90 ALA C C 412 177.949 177.949 177.726 0.223 17783 13520 1 24 . 1 1 90 90 ALA CA C 412 53.941 53.941 53.458 0.483 17783 13521 1 24 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.476 -0.149 17783 13522 1 24 . 1 1 90 90 ALA H H 412 7.794 7.794 8.677 -0.883 17783 13523 1 24 . 1 1 91 91 LYS N N 413 115.842 115.842 118.091 -2.249 17783 13524 1 24 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.365 -0.033 17783 13525 1 24 . 1 1 91 91 LYS C C 413 175.829 175.829 175.950 -0.121 17783 13526 1 24 . 1 1 91 91 LYS CA C 413 55.370 55.370 54.765 0.605 17783 13527 1 24 . 1 1 91 91 LYS CB C 413 31.484 31.484 32.167 -0.683 17783 13528 1 24 . 1 1 91 91 LYS H H 413 7.398 7.398 7.466 -0.068 17783 13529 1 24 . 1 1 92 92 ASN N N 414 113.776 113.776 117.732 -3.956 17783 13530 1 24 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.535 0.001 17783 13531 1 24 . 1 1 92 92 ASN C C 414 171.075 171.075 173.623 -2.548 17783 13532 1 24 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.549 0.514 17783 13533 1 24 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.079 1.002 17783 13534 1 24 . 1 1 92 92 ASN H H 414 8.178 8.178 7.754 0.424 17783 13535 1 24 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.476 0.526 17783 13536 1 24 . 1 1 93 93 PRO C C 415 175.682 175.682 176.238 -0.556 17783 13537 1 24 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.794 -0.304 17783 13538 1 24 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.359 1.226 17783 13539 1 24 . 1 1 94 94 TRP N N 416 117.925 117.925 121.644 -3.719 17783 13540 1 24 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.972 0.045 17783 13541 1 24 . 1 1 94 94 TRP C C 416 173.607 173.607 174.204 -0.597 17783 13542 1 24 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.880 -0.885 17783 13543 1 24 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.825 1.682 17783 13544 1 24 . 1 1 94 94 TRP H H 416 7.921 7.921 8.032 -0.111 17783 13545 1 24 . 1 1 95 95 ALA N N 417 123.924 123.924 124.382 -0.458 17783 13546 1 24 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.032 0.723 17783 13547 1 24 . 1 1 95 95 ALA C C 417 174.171 174.171 176.477 -2.306 17783 13548 1 24 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.491 -0.854 17783 13549 1 24 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.567 -0.099 17783 13550 1 24 . 1 1 95 95 ALA H H 417 8.878 8.878 8.505 0.373 17783 13551 1 24 . 1 1 96 96 LYS N N 418 129.441 129.441 120.226 9.215 17783 13552 1 24 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.493 0.528 17783 13553 1 24 . 1 1 96 96 LYS C C 418 173.451 173.451 173.750 -0.299 17783 13554 1 24 . 1 1 96 96 LYS CA C 418 52.564 52.564 54.012 -1.448 17783 13555 1 24 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.668 3.315 17783 13556 1 24 . 1 1 96 96 LYS H H 418 9.235 9.235 8.056 1.179 17783 13557 1 24 . 1 1 97 97 PRO HA H 419 3.764 3.764 3.986 -0.222 17783 13558 1 24 . 1 1 97 97 PRO C C 419 178.893 178.893 177.391 1.502 17783 13559 1 24 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.282 -0.387 17783 13560 1 24 . 1 1 97 97 PRO CB C 419 32.720 32.720 31.508 1.212 17783 13561 1 24 . 1 1 98 98 LEU N N 420 126.746 126.746 124.220 2.526 17783 13562 1 24 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.118 -0.315 17783 13563 1 24 . 1 1 98 98 LEU C C 420 179.040 179.040 178.066 0.974 17783 13564 1 24 . 1 1 98 98 LEU CA C 420 57.368 57.368 57.269 0.099 17783 13565 1 24 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.306 -1.365 17783 13566 1 24 . 1 1 98 98 LEU H H 420 9.179 9.179 8.096 1.083 17783 13567 1 24 . 1 1 99 99 ARG N N 421 118.262 118.262 119.479 -1.217 17783 13568 1 24 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.860 0.199 17783 13569 1 24 . 1 1 99 99 ARG C C 421 178.140 178.140 177.541 0.599 17783 13570 1 24 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.879 0.214 17783 13571 1 24 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.688 0.268 17783 13572 1 24 . 1 1 99 99 ARG H H 421 8.014 8.014 8.280 -0.266 17783 13573 1 24 . 1 1 100 100 GLN N N 422 116.539 116.539 116.733 -0.194 17783 13574 1 24 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.133 0.077 17783 13575 1 24 . 1 1 100 100 GLN C C 422 177.594 177.594 178.145 -0.551 17783 13576 1 24 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.398 -0.665 17783 13577 1 24 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.290 -0.112 17783 13578 1 24 . 1 1 100 100 GLN H H 422 7.258 7.258 7.591 -0.333 17783 13579 1 24 . 1 1 101 101 VAL N N 423 119.665 119.665 120.077 -0.412 17783 13580 1 24 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.730 -0.182 17783 13581 1 24 . 1 1 101 101 VAL C C 423 177.040 177.040 177.991 -0.951 17783 13582 1 24 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.468 -0.021 17783 13583 1 24 . 1 1 101 101 VAL CB C 423 32.553 32.553 30.583 1.970 17783 13584 1 24 . 1 1 101 101 VAL H H 423 7.090 7.090 7.996 -0.906 17783 13585 1 24 . 1 1 102 102 GLN N N 424 115.032 115.032 118.366 -3.334 17783 13586 1 24 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.928 -0.363 17783 13587 1 24 . 1 1 102 102 GLN C C 424 177.994 177.994 177.338 0.656 17783 13588 1 24 . 1 1 102 102 GLN CA C 424 58.883 58.883 58.297 0.586 17783 13589 1 24 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.358 -0.298 17783 13590 1 24 . 1 1 102 102 GLN H H 424 8.553 8.553 7.678 0.875 17783 13591 1 24 . 1 1 103 103 ALA N N 425 120.742 120.742 123.320 -2.578 17783 13592 1 24 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.046 0.112 17783 13593 1 24 . 1 1 103 103 ALA C C 425 178.545 178.545 178.507 0.038 17783 13594 1 24 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.561 -0.286 17783 13595 1 24 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.734 -0.412 17783 13596 1 24 . 1 1 103 103 ALA H H 425 7.366 7.366 7.969 -0.603 17783 13597 1 24 . 1 1 104 104 ASP N N 426 117.066 117.066 118.681 -1.615 17783 13598 1 24 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.474 0.234 17783 13599 1 24 . 1 1 104 104 ASP C C 426 176.876 176.876 177.217 -0.341 17783 13600 1 24 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.359 -0.136 17783 13601 1 24 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.751 1.750 17783 13602 1 24 . 1 1 104 104 ASP H H 426 7.628 7.628 8.150 -0.522 17783 13603 1 24 . 1 1 105 105 LEU N N 427 119.853 119.853 120.607 -0.754 17783 13604 1 24 . 1 1 105 105 LEU HA H 427 4.299 4.299 3.954 0.345 17783 13605 1 24 . 1 1 105 105 LEU C C 427 176.118 176.118 175.948 0.170 17783 13606 1 24 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.959 -0.973 17783 13607 1 24 . 1 1 105 105 LEU CB C 427 42.078 42.078 42.892 -0.814 17783 13608 1 24 . 1 1 105 105 LEU H H 427 7.242 7.242 7.474 -0.232 17783 13609 1 25 . 1 1 2 2 ARG N N 324 121.883 121.883 123.592 -1.709 17783 13610 1 25 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.593 -0.249 17783 13611 1 25 . 1 1 2 2 ARG C C 324 176.887 176.887 177.126 -0.239 17783 13612 1 25 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.343 0.162 17783 13613 1 25 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.728 0.006 17783 13614 1 25 . 1 1 2 2 ARG H H 324 8.373 8.373 8.432 -0.059 17783 13615 1 25 . 1 1 3 3 GLY N N 325 111.231 111.231 114.201 -2.970 17783 13616 1 25 . 1 1 3 3 GLY C C 325 174.037 174.037 175.175 -1.138 17783 13617 1 25 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.782 -0.554 17783 13618 1 25 . 1 1 3 3 GLY H H 325 8.683 8.683 8.879 -0.196 17783 13619 1 25 . 1 1 4 4 SER N N 326 115.541 115.541 117.652 -2.111 17783 13620 1 25 . 1 1 4 4 SER HA H 326 4.377 4.377 4.358 0.019 17783 13621 1 25 . 1 1 4 4 SER C C 326 174.454 174.454 173.905 0.549 17783 13622 1 25 . 1 1 4 4 SER CA C 326 58.315 58.315 58.341 -0.026 17783 13623 1 25 . 1 1 4 4 SER CB C 326 63.902 63.902 63.680 0.222 17783 13624 1 25 . 1 1 4 4 SER H H 326 8.237 8.237 7.861 0.376 17783 13625 1 25 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.480 0.100 17783 13626 1 25 . 1 1 10 10 HIS C C 332 175.292 175.292 174.812 0.480 17783 13627 1 25 . 1 1 10 10 HIS CA C 332 55.946 55.946 54.991 0.955 17783 13628 1 25 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.971 0.152 17783 13629 1 25 . 1 1 11 11 GLY N N 333 110.527 110.527 109.277 1.250 17783 13630 1 25 . 1 1 11 11 GLY C C 333 174.126 174.126 174.306 -0.180 17783 13631 1 25 . 1 1 11 11 GLY CA C 333 45.327 45.327 44.532 0.795 17783 13632 1 25 . 1 1 11 11 GLY H H 333 8.540 8.540 8.012 0.528 17783 13633 1 25 . 1 1 12 12 SER N N 334 115.752 115.752 115.272 0.480 17783 13634 1 25 . 1 1 12 12 SER HA H 334 4.436 4.436 4.494 -0.058 17783 13635 1 25 . 1 1 12 12 SER C C 334 174.538 174.538 174.452 0.086 17783 13636 1 25 . 1 1 12 12 SER CA C 334 58.486 58.486 58.448 0.038 17783 13637 1 25 . 1 1 12 12 SER CB C 334 63.927 63.927 64.053 -0.126 17783 13638 1 25 . 1 1 12 12 SER H H 334 8.356 8.356 8.194 0.162 17783 13639 1 25 . 1 1 13 13 ASN N N 335 120.410 120.410 121.662 -1.252 17783 13640 1 25 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.770 -0.041 17783 13641 1 25 . 1 1 13 13 ASN C C 335 175.116 175.116 173.376 1.740 17783 13642 1 25 . 1 1 13 13 ASN CA C 335 53.386 53.386 52.787 0.599 17783 13643 1 25 . 1 1 13 13 ASN CB C 335 38.668 38.668 39.695 -1.027 17783 13644 1 25 . 1 1 13 13 ASN H H 335 8.575 8.575 8.130 0.445 17783 13645 1 25 . 1 1 14 14 ASN N N 336 119.094 119.094 118.034 1.060 17783 13646 1 25 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.788 -0.059 17783 13647 1 25 . 1 1 14 14 ASN C C 336 175.395 175.395 172.992 2.403 17783 13648 1 25 . 1 1 14 14 ASN CA C 336 53.385 53.385 52.890 0.495 17783 13649 1 25 . 1 1 14 14 ASN CB C 336 38.669 38.669 40.606 -1.937 17783 13650 1 25 . 1 1 14 14 ASN H H 336 8.447 8.447 8.535 -0.088 17783 13651 1 25 . 1 1 15 15 ASN N N 337 118.915 118.915 120.746 -1.831 17783 13652 1 25 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.751 -0.217 17783 13653 1 25 . 1 1 15 15 ASN C C 337 176.390 176.390 176.160 0.230 17783 13654 1 25 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.126 0.865 17783 13655 1 25 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.114 -0.493 17783 13656 1 25 . 1 1 15 15 ASN H H 337 8.446 8.446 8.480 -0.034 17783 13657 1 25 . 1 1 16 16 GLY N N 338 108.851 108.851 108.226 0.625 17783 13658 1 25 . 1 1 16 16 GLY C C 338 175.459 175.459 175.003 0.456 17783 13659 1 25 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.197 1.555 17783 13660 1 25 . 1 1 16 16 GLY H H 338 8.454 8.454 8.725 -0.271 17783 13661 1 25 . 1 1 17 17 SER N N 339 116.218 116.218 114.874 1.344 17783 13662 1 25 . 1 1 17 17 SER HA H 339 4.229 4.229 4.217 0.012 17783 13663 1 25 . 1 1 17 17 SER C C 339 175.869 175.869 175.213 0.656 17783 13664 1 25 . 1 1 17 17 SER CA C 339 59.759 59.759 59.750 0.009 17783 13665 1 25 . 1 1 17 17 SER CB C 339 62.973 62.973 62.609 0.364 17783 13666 1 25 . 1 1 17 17 SER H H 339 8.170 8.170 8.289 -0.119 17783 13667 1 25 . 1 1 18 18 LEU N N 340 121.515 121.515 119.706 1.809 17783 13668 1 25 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.147 -0.145 17783 13669 1 25 . 1 1 18 18 LEU C C 340 178.399 178.399 178.120 0.279 17783 13670 1 25 . 1 1 18 18 LEU CA C 340 57.151 57.151 57.262 -0.111 17783 13671 1 25 . 1 1 18 18 LEU CB C 340 42.076 42.076 42.066 0.010 17783 13672 1 25 . 1 1 18 18 LEU H H 340 7.790 7.790 7.425 0.365 17783 13673 1 25 . 1 1 19 19 LYS N N 341 117.145 117.145 115.210 1.935 17783 13674 1 25 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.137 -0.329 17783 13675 1 25 . 1 1 19 19 LYS C C 341 176.960 176.960 178.732 -1.772 17783 13676 1 25 . 1 1 19 19 LYS CA C 341 59.192 59.192 57.638 1.554 17783 13677 1 25 . 1 1 19 19 LYS CB C 341 32.793 32.793 32.203 0.590 17783 13678 1 25 . 1 1 19 19 LYS H H 341 7.893 7.893 7.947 -0.054 17783 13679 1 25 . 1 1 20 20 SER N N 342 110.377 110.377 117.681 -7.304 17783 13680 1 25 . 1 1 20 20 SER HA H 342 4.369 4.369 4.323 0.046 17783 13681 1 25 . 1 1 20 20 SER C C 342 173.735 173.735 173.014 0.721 17783 13682 1 25 . 1 1 20 20 SER CA C 342 58.141 58.141 58.130 0.011 17783 13683 1 25 . 1 1 20 20 SER CB C 342 63.900 63.900 61.701 2.199 17783 13684 1 25 . 1 1 20 20 SER H H 342 7.546 7.546 7.850 -0.304 17783 13685 1 25 . 1 1 21 21 ALA N N 343 125.662 125.662 123.981 1.681 17783 13686 1 25 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.632 -0.270 17783 13687 1 25 . 1 1 21 21 ALA C C 343 174.051 174.051 174.426 -0.375 17783 13688 1 25 . 1 1 21 21 ALA CA C 343 50.572 50.572 50.320 0.252 17783 13689 1 25 . 1 1 21 21 ALA CB C 343 18.134 18.134 20.407 -2.273 17783 13690 1 25 . 1 1 21 21 ALA H H 343 6.852 6.852 8.060 -1.208 17783 13691 1 25 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.396 -0.158 17783 13692 1 25 . 1 1 22 22 PRO C C 344 178.184 178.184 176.655 1.529 17783 13693 1 25 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.668 0.414 17783 13694 1 25 . 1 1 22 22 PRO CB C 344 31.604 31.604 30.502 1.102 17783 13695 1 25 . 1 1 23 23 SER N N 345 118.662 118.662 119.910 -1.248 17783 13696 1 25 . 1 1 23 23 SER HA H 345 3.825 3.825 4.194 -0.369 17783 13697 1 25 . 1 1 23 23 SER C C 345 174.231 174.231 175.148 -0.917 17783 13698 1 25 . 1 1 23 23 SER CA C 345 60.892 60.892 60.153 0.739 17783 13699 1 25 . 1 1 23 23 SER CB C 345 63.223 63.223 63.064 0.159 17783 13700 1 25 . 1 1 23 23 SER H H 345 8.566 8.566 8.195 0.371 17783 13701 1 25 . 1 1 24 24 SER N N 346 111.938 111.938 116.414 -4.476 17783 13702 1 25 . 1 1 24 24 SER HA H 346 4.383 4.383 4.346 0.037 17783 13703 1 25 . 1 1 24 24 SER C C 346 175.152 175.152 174.662 0.490 17783 13704 1 25 . 1 1 24 24 SER CA C 346 58.247 58.247 59.832 -1.585 17783 13705 1 25 . 1 1 24 24 SER CB C 346 63.958 63.958 63.281 0.677 17783 13706 1 25 . 1 1 24 24 SER H H 346 7.675 7.675 8.245 -0.570 17783 13707 1 25 . 1 1 25 25 HIS N N 347 122.882 122.882 119.795 3.087 17783 13708 1 25 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.519 0.331 17783 13709 1 25 . 1 1 25 25 HIS C C 347 173.574 173.574 174.753 -1.179 17783 13710 1 25 . 1 1 25 25 HIS CA C 347 56.075 56.075 55.663 0.412 17783 13711 1 25 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.679 1.169 17783 13712 1 25 . 1 1 25 25 HIS H H 347 7.628 7.628 7.452 0.176 17783 13713 1 25 . 1 1 26 26 TYR N N 348 117.921 117.921 120.002 -2.081 17783 13714 1 25 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.540 0.449 17783 13715 1 25 . 1 1 26 26 TYR C C 348 174.086 174.086 175.484 -1.398 17783 13716 1 25 . 1 1 26 26 TYR CA C 348 58.187 58.187 57.679 0.508 17783 13717 1 25 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.460 2.374 17783 13718 1 25 . 1 1 26 26 TYR H H 348 9.606 9.606 8.687 0.919 17783 13719 1 25 . 1 1 27 27 THR N N 349 115.914 115.914 112.694 3.220 17783 13720 1 25 . 1 1 27 27 THR HA H 349 5.027 5.027 4.802 0.225 17783 13721 1 25 . 1 1 27 27 THR C C 349 172.904 172.904 173.277 -0.373 17783 13722 1 25 . 1 1 27 27 THR CA C 349 58.835 58.835 61.301 -2.466 17783 13723 1 25 . 1 1 27 27 THR CB C 349 70.587 70.587 69.938 0.649 17783 13724 1 25 . 1 1 27 27 THR H H 349 8.974 8.974 8.350 0.624 17783 13725 1 25 . 1 1 28 28 LEU N N 350 123.392 123.392 124.321 -0.929 17783 13726 1 25 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.138 0.851 17783 13727 1 25 . 1 1 28 28 LEU C C 350 176.111 176.111 176.742 -0.631 17783 13728 1 25 . 1 1 28 28 LEU CA C 350 53.098 53.098 55.781 -2.683 17783 13729 1 25 . 1 1 28 28 LEU CB C 350 44.870 44.870 42.113 2.757 17783 13730 1 25 . 1 1 28 28 LEU H H 350 8.249 8.249 8.445 -0.196 17783 13731 1 25 . 1 1 29 29 GLN N N 351 122.797 122.797 116.141 6.656 17783 13732 1 25 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.523 0.030 17783 13733 1 25 . 1 1 29 29 GLN C C 351 175.435 175.435 175.400 0.035 17783 13734 1 25 . 1 1 29 29 GLN CA C 351 55.943 55.943 55.067 0.876 17783 13735 1 25 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.535 -3.304 17783 13736 1 25 . 1 1 29 29 GLN H H 351 8.915 8.915 8.110 0.805 17783 13737 1 25 . 1 1 30 30 LEU N N 352 125.239 125.239 125.769 -0.530 17783 13738 1 25 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.659 -0.292 17783 13739 1 25 . 1 1 30 30 LEU C C 352 177.250 177.250 175.990 1.260 17783 13740 1 25 . 1 1 30 30 LEU CA C 352 56.101 56.101 55.525 0.576 17783 13741 1 25 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.246 -0.146 17783 13742 1 25 . 1 1 30 30 LEU H H 352 8.920 8.920 8.398 0.522 17783 13743 1 25 . 1 1 31 31 SER N N 353 106.816 106.816 108.479 -1.663 17783 13744 1 25 . 1 1 31 31 SER HA H 353 4.493 4.493 4.503 -0.010 17783 13745 1 25 . 1 1 31 31 SER C C 353 171.831 171.831 172.265 -0.434 17783 13746 1 25 . 1 1 31 31 SER CA C 353 57.160 57.160 57.723 -0.563 17783 13747 1 25 . 1 1 31 31 SER CB C 353 64.360 64.360 65.131 -0.771 17783 13748 1 25 . 1 1 31 31 SER H H 353 7.548 7.548 7.955 -0.407 17783 13749 1 25 . 1 1 32 32 SER N N 354 113.518 113.518 114.246 -0.728 17783 13750 1 25 . 1 1 32 32 SER HA H 354 5.026 5.026 4.245 0.781 17783 13751 1 25 . 1 1 32 32 SER C C 354 172.512 172.512 172.004 0.508 17783 13752 1 25 . 1 1 32 32 SER CA C 354 57.285 57.285 57.215 0.070 17783 13753 1 25 . 1 1 32 32 SER CB C 354 65.347 65.347 65.939 -0.592 17783 13754 1 25 . 1 1 32 32 SER H H 354 8.127 8.127 8.016 0.111 17783 13755 1 25 . 1 1 33 33 SER N N 355 114.624 114.624 116.687 -2.063 17783 13756 1 25 . 1 1 33 33 SER HA H 355 4.106 4.106 4.200 -0.094 17783 13757 1 25 . 1 1 33 33 SER C C 355 171.639 171.639 172.257 -0.618 17783 13758 1 25 . 1 1 33 33 SER CA C 355 57.276 57.276 57.433 -0.157 17783 13759 1 25 . 1 1 33 33 SER CB C 355 64.539 64.539 64.097 0.442 17783 13760 1 25 . 1 1 33 33 SER H H 355 8.616 8.616 5.661 2.955 17783 13761 1 25 . 1 1 34 34 SER N N 356 116.467 116.467 116.293 0.174 17783 13762 1 25 . 1 1 34 34 SER HA H 356 4.241 4.241 4.916 -0.675 17783 13763 1 25 . 1 1 34 34 SER C C 356 173.820 173.820 173.241 0.579 17783 13764 1 25 . 1 1 34 34 SER CA C 356 59.074 59.074 58.246 0.828 17783 13765 1 25 . 1 1 34 34 SER CB C 356 63.741 63.741 62.767 0.974 17783 13766 1 25 . 1 1 34 34 SER H H 356 8.132 8.132 8.375 -0.243 17783 13767 1 25 . 1 1 35 35 ASN N N 357 122.206 122.206 118.803 3.403 17783 13768 1 25 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.037 -0.116 17783 13769 1 25 . 1 1 35 35 ASN C C 357 172.965 172.965 173.925 -0.960 17783 13770 1 25 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.169 -0.722 17783 13771 1 25 . 1 1 35 35 ASN CB C 357 40.925 40.925 41.224 -0.299 17783 13772 1 25 . 1 1 35 35 ASN H H 357 8.511 8.511 8.364 0.147 17783 13773 1 25 . 1 1 36 36 TYR N N 358 127.519 127.519 124.573 2.946 17783 13774 1 25 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.817 -0.845 17783 13775 1 25 . 1 1 36 36 TYR C C 358 176.522 176.522 176.275 0.247 17783 13776 1 25 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.575 0.395 17783 13777 1 25 . 1 1 36 36 TYR CB C 358 37.711 37.711 39.673 -1.962 17783 13778 1 25 . 1 1 36 36 TYR H H 358 8.002 8.002 8.533 -0.531 17783 13779 1 25 . 1 1 37 37 ASP N N 359 118.658 118.658 119.476 -0.818 17783 13780 1 25 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.204 -0.060 17783 13781 1 25 . 1 1 37 37 ASP C C 359 179.804 179.804 178.342 1.462 17783 13782 1 25 . 1 1 37 37 ASP CA C 359 57.503 57.503 58.072 -0.569 17783 13783 1 25 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.631 -0.453 17783 13784 1 25 . 1 1 37 37 ASP H H 359 8.033 8.033 8.523 -0.490 17783 13785 1 25 . 1 1 38 38 ASN N N 360 119.802 119.802 116.901 2.901 17783 13786 1 25 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.468 -0.165 17783 13787 1 25 . 1 1 38 38 ASN C C 360 177.720 177.720 177.689 0.031 17783 13788 1 25 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.624 -0.174 17783 13789 1 25 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.214 -0.451 17783 13790 1 25 . 1 1 38 38 ASN H H 360 8.380 8.380 8.670 -0.290 17783 13791 1 25 . 1 1 39 39 LEU N N 361 121.625 121.625 120.418 1.207 17783 13792 1 25 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.172 -0.075 17783 13793 1 25 . 1 1 39 39 LEU C C 361 177.738 177.738 178.004 -0.266 17783 13794 1 25 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.088 -0.523 17783 13795 1 25 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.764 0.964 17783 13796 1 25 . 1 1 39 39 LEU H H 361 7.243 7.243 7.971 -0.728 17783 13797 1 25 . 1 1 40 40 ASN N N 362 116.601 116.601 117.654 -1.053 17783 13798 1 25 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.164 -0.019 17783 13799 1 25 . 1 1 40 40 ASN C C 362 177.253 177.253 177.423 -0.170 17783 13800 1 25 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.531 -0.004 17783 13801 1 25 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.908 1.418 17783 13802 1 25 . 1 1 40 40 ASN H H 362 8.284 8.284 7.976 0.308 17783 13803 1 25 . 1 1 41 41 GLY N N 363 104.958 104.958 106.811 -1.853 17783 13804 1 25 . 1 1 41 41 GLY C C 363 176.323 176.323 175.666 0.657 17783 13805 1 25 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.979 -0.140 17783 13806 1 25 . 1 1 41 41 GLY H H 363 8.334 8.334 7.841 0.493 17783 13807 1 25 . 1 1 42 42 TRP N N 364 125.066 125.066 124.588 0.478 17783 13808 1 25 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.350 -0.124 17783 13809 1 25 . 1 1 42 42 TRP C C 364 176.509 176.509 177.789 -1.280 17783 13810 1 25 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.694 0.794 17783 13811 1 25 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.402 -1.526 17783 13812 1 25 . 1 1 42 42 TRP H H 364 7.833 7.833 8.002 -0.169 17783 13813 1 25 . 1 1 43 43 ALA N N 365 120.030 120.030 121.417 -1.387 17783 13814 1 25 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.343 -0.349 17783 13815 1 25 . 1 1 43 43 ALA C C 365 179.186 179.186 179.468 -0.282 17783 13816 1 25 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.173 -0.172 17783 13817 1 25 . 1 1 43 43 ALA CB C 365 17.088 17.088 18.022 -0.934 17783 13818 1 25 . 1 1 43 43 ALA H H 365 7.701 7.701 8.668 -0.967 17783 13819 1 25 . 1 1 44 44 LYS N N 366 115.064 115.064 116.034 -0.970 17783 13820 1 25 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.072 -0.039 17783 13821 1 25 . 1 1 44 44 LYS C C 366 180.830 180.830 179.443 1.387 17783 13822 1 25 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.457 0.534 17783 13823 1 25 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.098 0.252 17783 13824 1 25 . 1 1 44 44 LYS H H 366 7.562 7.562 7.893 -0.331 17783 13825 1 25 . 1 1 45 45 LYS N N 367 123.180 123.180 121.252 1.928 17783 13826 1 25 . 1 1 45 45 LYS HA H 367 3.907 3.907 3.978 -0.071 17783 13827 1 25 . 1 1 45 45 LYS C C 367 178.319 178.319 177.855 0.464 17783 13828 1 25 . 1 1 45 45 LYS CA C 367 59.044 59.044 59.012 0.032 17783 13829 1 25 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.233 -0.167 17783 13830 1 25 . 1 1 45 45 LYS H H 367 8.067 8.067 7.296 0.771 17783 13831 1 25 . 1 1 46 46 GLU N N 368 114.882 114.882 115.381 -0.499 17783 13832 1 25 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.166 -0.249 17783 13833 1 25 . 1 1 46 46 GLU C C 368 174.639 174.639 174.660 -0.021 17783 13834 1 25 . 1 1 46 46 GLU CA C 368 55.016 55.016 55.628 -0.612 17783 13835 1 25 . 1 1 46 46 GLU CB C 368 27.677 27.677 28.354 -0.677 17783 13836 1 25 . 1 1 46 46 GLU H H 368 7.488 7.488 7.383 0.105 17783 13837 1 25 . 1 1 47 47 ASN N N 369 114.944 114.944 114.227 0.717 17783 13838 1 25 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.151 0.121 17783 13839 1 25 . 1 1 47 47 ASN C C 369 174.759 174.759 175.022 -0.263 17783 13840 1 25 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.432 0.272 17783 13841 1 25 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.290 0.769 17783 13842 1 25 . 1 1 47 47 ASN H H 369 7.772 7.772 7.516 0.256 17783 13843 1 25 . 1 1 48 48 LEU N N 370 116.008 116.008 118.638 -2.630 17783 13844 1 25 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.886 0.234 17783 13845 1 25 . 1 1 48 48 LEU C C 370 177.056 177.056 176.708 0.348 17783 13846 1 25 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.299 -0.181 17783 13847 1 25 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.476 1.441 17783 13848 1 25 . 1 1 48 48 LEU H H 370 7.463 7.463 7.464 -0.001 17783 13849 1 25 . 1 1 49 49 LYS N N 371 120.012 120.012 123.926 -3.914 17783 13850 1 25 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.425 0.135 17783 13851 1 25 . 1 1 49 49 LYS C C 371 176.481 176.481 176.379 0.102 17783 13852 1 25 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.813 -0.484 17783 13853 1 25 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.388 1.167 17783 13854 1 25 . 1 1 49 49 LYS H H 371 8.518 8.518 8.070 0.448 17783 13855 1 25 . 1 1 50 50 ASN N N 372 117.610 117.610 119.400 -1.790 17783 13856 1 25 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.434 0.080 17783 13857 1 25 . 1 1 50 50 ASN C C 372 173.445 173.445 173.428 0.017 17783 13858 1 25 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.096 -0.659 17783 13859 1 25 . 1 1 50 50 ASN CB C 372 37.932 37.932 38.285 -0.353 17783 13860 1 25 . 1 1 50 50 ASN H H 372 8.734 8.734 8.891 -0.157 17783 13861 1 25 . 1 1 51 51 TYR N N 373 117.151 117.151 117.593 -0.442 17783 13862 1 25 . 1 1 51 51 TYR HA H 373 5.395 5.395 4.922 0.473 17783 13863 1 25 . 1 1 51 51 TYR C C 373 173.549 173.549 173.596 -0.047 17783 13864 1 25 . 1 1 51 51 TYR CA C 373 55.782 55.782 55.631 0.151 17783 13865 1 25 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.331 0.080 17783 13866 1 25 . 1 1 51 51 TYR H H 373 7.570 7.570 7.672 -0.102 17783 13867 1 25 . 1 1 52 52 VAL N N 374 120.887 120.887 118.439 2.448 17783 13868 1 25 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.300 -0.002 17783 13869 1 25 . 1 1 52 52 VAL C C 374 174.289 174.289 174.760 -0.471 17783 13870 1 25 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.037 0.677 17783 13871 1 25 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.377 2.207 17783 13872 1 25 . 1 1 52 52 VAL H H 374 9.140 9.140 8.482 0.658 17783 13873 1 25 . 1 1 53 53 VAL N N 375 126.060 126.060 126.790 -0.730 17783 13874 1 25 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.499 0.916 17783 13875 1 25 . 1 1 53 53 VAL C C 375 175.803 175.803 175.535 0.268 17783 13876 1 25 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.817 -2.161 17783 13877 1 25 . 1 1 53 53 VAL CB C 375 32.736 32.736 32.117 0.619 17783 13878 1 25 . 1 1 53 53 VAL H H 375 8.600 8.600 8.354 0.246 17783 13879 1 25 . 1 1 54 54 TYR N N 376 125.706 125.706 124.895 0.811 17783 13880 1 25 . 1 1 54 54 TYR HA H 376 5.422 5.422 4.980 0.442 17783 13881 1 25 . 1 1 54 54 TYR C C 376 172.139 172.139 173.469 -1.330 17783 13882 1 25 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.849 -0.720 17783 13883 1 25 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.202 1.455 17783 13884 1 25 . 1 1 54 54 TYR H H 376 9.292 9.292 8.155 1.137 17783 13885 1 25 . 1 1 55 55 GLU N N 377 122.063 122.063 118.843 3.220 17783 13886 1 25 . 1 1 55 55 GLU HA H 377 4.714 4.714 4.675 0.039 17783 13887 1 25 . 1 1 55 55 GLU C C 377 175.011 175.011 175.501 -0.490 17783 13888 1 25 . 1 1 55 55 GLU CA C 377 55.143 55.143 54.795 0.348 17783 13889 1 25 . 1 1 55 55 GLU CB C 377 32.659 32.659 32.120 0.540 17783 13890 1 25 . 1 1 55 55 GLU H H 377 8.758 8.758 8.549 0.209 17783 13891 1 25 . 1 1 56 56 THR N N 378 122.855 122.855 115.646 7.209 17783 13892 1 25 . 1 1 56 56 THR HA H 378 4.848 4.848 4.883 -0.035 17783 13893 1 25 . 1 1 56 56 THR C C 378 173.550 173.550 172.716 0.834 17783 13894 1 25 . 1 1 56 56 THR CA C 378 58.732 58.732 60.365 -1.633 17783 13895 1 25 . 1 1 56 56 THR CB C 378 70.181 70.181 70.754 -0.573 17783 13896 1 25 . 1 1 56 56 THR H H 378 9.160 9.160 8.498 0.662 17783 13897 1 25 . 1 1 57 57 THR N N 379 116.629 116.629 112.765 3.864 17783 13898 1 25 . 1 1 57 57 THR HA H 379 5.145 5.145 4.757 0.388 17783 13899 1 25 . 1 1 57 57 THR C C 379 173.973 173.973 173.195 0.778 17783 13900 1 25 . 1 1 57 57 THR CA C 379 60.517 60.517 60.338 0.179 17783 13901 1 25 . 1 1 57 57 THR CB C 379 71.582 71.582 70.677 0.905 17783 13902 1 25 . 1 1 57 57 THR H H 379 8.677 8.677 8.304 0.373 17783 13903 1 25 . 1 1 58 58 ARG N N 380 124.546 124.546 125.666 -1.120 17783 13904 1 25 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.540 -0.232 17783 13905 1 25 . 1 1 58 58 ARG C C 380 176.074 176.074 174.640 1.434 17783 13906 1 25 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.550 -1.040 17783 13907 1 25 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.262 1.212 17783 13908 1 25 . 1 1 58 58 ARG H H 380 9.117 9.117 8.581 0.536 17783 13909 1 25 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.460 -0.154 17783 13910 1 25 . 1 1 59 59 ASN C C 381 175.444 175.444 175.139 0.305 17783 13911 1 25 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.292 0.945 17783 13912 1 25 . 1 1 59 59 ASN CB C 381 37.213 37.213 38.180 -0.967 17783 13913 1 25 . 1 1 60 60 GLY N N 382 103.015 103.015 107.036 -4.021 17783 13914 1 25 . 1 1 60 60 GLY C C 382 173.488 173.488 173.680 -0.192 17783 13915 1 25 . 1 1 60 60 GLY CA C 382 45.473 45.473 46.181 -0.708 17783 13916 1 25 . 1 1 60 60 GLY H H 382 8.639 8.639 8.565 0.074 17783 13917 1 25 . 1 1 61 61 GLN N N 383 119.903 119.903 118.743 1.160 17783 13918 1 25 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.670 0.330 17783 13919 1 25 . 1 1 61 61 GLN C C 383 172.730 172.730 173.485 -0.755 17783 13920 1 25 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.955 -0.264 17783 13921 1 25 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.523 0.189 17783 13922 1 25 . 1 1 61 61 GLN H H 383 7.697 7.697 7.937 -0.240 17783 13923 1 25 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.575 0.039 17783 13924 1 25 . 1 1 62 62 PRO C C 384 175.576 175.576 175.181 0.395 17783 13925 1 25 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.084 0.918 17783 13926 1 25 . 1 1 62 62 PRO CB C 384 32.545 32.545 32.108 0.437 17783 13927 1 25 . 1 1 63 63 TRP N N 385 126.621 126.621 123.223 3.398 17783 13928 1 25 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.687 -0.176 17783 13929 1 25 . 1 1 63 63 TRP C C 385 172.096 172.096 172.885 -0.789 17783 13930 1 25 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.844 0.238 17783 13931 1 25 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.756 1.418 17783 13932 1 25 . 1 1 63 63 TRP H H 385 8.063 8.063 7.796 0.267 17783 13933 1 25 . 1 1 64 64 TYR N N 386 124.129 124.129 119.257 4.872 17783 13934 1 25 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.367 0.851 17783 13935 1 25 . 1 1 64 64 TYR C C 386 173.544 173.544 173.756 -0.212 17783 13936 1 25 . 1 1 64 64 TYR CA C 386 56.769 56.769 55.115 1.654 17783 13937 1 25 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.539 2.894 17783 13938 1 25 . 1 1 64 64 TYR H H 386 7.954 7.954 7.218 0.736 17783 13939 1 25 . 1 1 65 65 VAL N N 387 121.167 121.167 122.225 -1.058 17783 13940 1 25 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.453 -0.590 17783 13941 1 25 . 1 1 65 65 VAL C C 387 172.675 172.675 175.050 -2.375 17783 13942 1 25 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.648 0.609 17783 13943 1 25 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.556 0.577 17783 13944 1 25 . 1 1 65 65 VAL H H 387 8.409 8.409 7.587 0.822 17783 13945 1 25 . 1 1 66 66 LEU N N 388 127.479 127.479 129.287 -1.808 17783 13946 1 25 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.835 0.588 17783 13947 1 25 . 1 1 66 66 LEU CA C 388 53.496 53.496 54.106 -0.610 17783 13948 1 25 . 1 1 66 66 LEU CB C 388 44.755 44.755 42.946 1.809 17783 13949 1 25 . 1 1 66 66 LEU H H 388 8.200 8.200 8.677 -0.477 17783 13950 1 25 . 1 1 67 67 VAL N N 389 120.778 120.778 116.660 4.118 17783 13951 1 25 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.643 1.197 17783 13952 1 25 . 1 1 67 67 VAL C C 389 174.934 174.934 175.042 -0.108 17783 13953 1 25 . 1 1 67 67 VAL CA C 389 57.827 57.827 59.346 -1.519 17783 13954 1 25 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.355 -0.662 17783 13955 1 25 . 1 1 67 67 VAL H H 389 9.314 9.314 8.461 0.853 17783 13956 1 25 . 1 1 68 68 SER N N 390 113.588 113.588 116.381 -2.793 17783 13957 1 25 . 1 1 68 68 SER HA H 390 4.850 4.850 4.761 0.089 17783 13958 1 25 . 1 1 68 68 SER C C 390 174.691 174.691 175.276 -0.585 17783 13959 1 25 . 1 1 68 68 SER CA C 390 58.213 58.213 57.497 0.716 17783 13960 1 25 . 1 1 68 68 SER CB C 390 66.007 66.007 63.972 2.035 17783 13961 1 25 . 1 1 68 68 SER H H 390 8.803 8.803 8.426 0.377 17783 13962 1 25 . 1 1 69 69 GLY N N 391 115.161 115.161 114.101 1.060 17783 13963 1 25 . 1 1 69 69 GLY C C 391 172.208 172.208 173.375 -1.167 17783 13964 1 25 . 1 1 69 69 GLY CA C 391 44.325 44.325 46.181 -1.856 17783 13965 1 25 . 1 1 69 69 GLY H H 391 8.436 8.436 8.347 0.089 17783 13966 1 25 . 1 1 70 70 VAL N N 392 117.033 117.033 119.676 -2.643 17783 13967 1 25 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.165 0.315 17783 13968 1 25 . 1 1 70 70 VAL C C 392 174.635 174.635 174.123 0.512 17783 13969 1 25 . 1 1 70 70 VAL CA C 392 62.203 62.203 61.694 0.509 17783 13970 1 25 . 1 1 70 70 VAL CB C 392 34.237 34.237 33.632 0.605 17783 13971 1 25 . 1 1 70 70 VAL H H 392 7.188 7.188 7.703 -0.515 17783 13972 1 25 . 1 1 71 71 TYR N N 393 124.867 124.867 127.145 -2.278 17783 13973 1 25 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.592 0.209 17783 13974 1 25 . 1 1 71 71 TYR C C 393 175.550 175.550 175.985 -0.435 17783 13975 1 25 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.732 -1.447 17783 13976 1 25 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.226 3.317 17783 13977 1 25 . 1 1 71 71 TYR H H 393 9.517 9.517 8.384 1.133 17783 13978 1 25 . 1 1 72 72 ALA N N 394 124.217 124.217 120.746 3.471 17783 13979 1 25 . 1 1 72 72 ALA HA H 394 2.771 2.771 4.347 -1.576 17783 13980 1 25 . 1 1 72 72 ALA C C 394 175.911 175.911 176.355 -0.444 17783 13981 1 25 . 1 1 72 72 ALA CA C 394 53.257 53.257 52.644 0.613 17783 13982 1 25 . 1 1 72 72 ALA CB C 394 19.021 19.021 20.435 -1.414 17783 13983 1 25 . 1 1 72 72 ALA H H 394 8.984 8.984 8.492 0.492 17783 13984 1 25 . 1 1 73 73 SER N N 395 106.325 106.325 111.187 -4.862 17783 13985 1 25 . 1 1 73 73 SER HA H 395 4.769 4.769 4.682 0.087 17783 13986 1 25 . 1 1 73 73 SER C C 395 173.686 173.686 174.014 -0.328 17783 13987 1 25 . 1 1 73 73 SER CA C 395 56.031 56.031 57.355 -1.324 17783 13988 1 25 . 1 1 73 73 SER CB C 395 66.773 66.773 64.327 2.446 17783 13989 1 25 . 1 1 73 73 SER H H 395 7.251 7.251 7.573 -0.322 17783 13990 1 25 . 1 1 74 74 LYS N N 396 123.531 123.531 121.661 1.870 17783 13991 1 25 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.622 -0.728 17783 13992 1 25 . 1 1 74 74 LYS C C 396 178.040 178.040 177.863 0.177 17783 13993 1 25 . 1 1 74 74 LYS CA C 396 59.543 59.543 57.973 1.570 17783 13994 1 25 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.806 -0.170 17783 13995 1 25 . 1 1 74 74 LYS H H 396 8.742 8.742 8.776 -0.034 17783 13996 1 25 . 1 1 75 75 GLU N N 397 118.740 118.740 118.624 0.116 17783 13997 1 25 . 1 1 75 75 GLU HA H 397 3.814 3.814 4.022 -0.208 17783 13998 1 25 . 1 1 75 75 GLU C C 397 179.136 179.136 178.368 0.768 17783 13999 1 25 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.222 0.855 17783 14000 1 25 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.367 -0.619 17783 14001 1 25 . 1 1 75 75 GLU H H 397 8.529 8.529 8.395 0.134 17783 14002 1 25 . 1 1 76 76 GLU N N 398 119.987 119.987 120.043 -0.056 17783 14003 1 25 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.147 -0.312 17783 14004 1 25 . 1 1 76 76 GLU C C 398 178.564 178.564 178.584 -0.020 17783 14005 1 25 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.499 0.863 17783 14006 1 25 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.855 0.576 17783 14007 1 25 . 1 1 76 76 GLU H H 398 7.804 7.804 7.541 0.263 17783 14008 1 25 . 1 1 77 77 ALA N N 399 122.630 122.630 122.327 0.303 17783 14009 1 25 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.352 -0.764 17783 14010 1 25 . 1 1 77 77 ALA C C 399 177.764 177.764 178.803 -1.039 17783 14011 1 25 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.798 -0.437 17783 14012 1 25 . 1 1 77 77 ALA CB C 399 17.665 17.665 17.755 -0.090 17783 14013 1 25 . 1 1 77 77 ALA H H 399 7.294 7.294 8.029 -0.735 17783 14014 1 25 . 1 1 78 78 LYS N N 400 115.403 115.403 117.676 -2.273 17783 14015 1 25 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.908 -0.138 17783 14016 1 25 . 1 1 78 78 LYS C C 400 180.700 180.700 178.733 1.967 17783 14017 1 25 . 1 1 78 78 LYS CA C 400 59.542 59.542 58.848 0.694 17783 14018 1 25 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.292 -0.459 17783 14019 1 25 . 1 1 78 78 LYS H H 400 8.001 8.001 7.322 0.679 17783 14020 1 25 . 1 1 79 79 LYS N N 401 119.756 119.756 118.887 0.869 17783 14021 1 25 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.165 -0.196 17783 14022 1 25 . 1 1 79 79 LYS C C 401 178.347 178.347 178.247 0.100 17783 14023 1 25 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.137 0.839 17783 14024 1 25 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.697 -0.399 17783 14025 1 25 . 1 1 79 79 LYS H H 401 7.788 7.788 7.307 0.481 17783 14026 1 25 . 1 1 80 80 ALA N N 402 120.725 120.725 122.550 -1.825 17783 14027 1 25 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.120 0.023 17783 14028 1 25 . 1 1 80 80 ALA C C 402 180.118 180.118 179.632 0.486 17783 14029 1 25 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.775 -1.003 17783 14030 1 25 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.871 0.598 17783 14031 1 25 . 1 1 80 80 ALA H H 402 7.334 7.334 8.384 -1.050 17783 14032 1 25 . 1 1 81 81 VAL N N 403 120.431 120.431 118.336 2.095 17783 14033 1 25 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.739 -0.377 17783 14034 1 25 . 1 1 81 81 VAL C C 403 177.205 177.205 177.539 -0.334 17783 14035 1 25 . 1 1 81 81 VAL CA C 403 66.728 66.728 64.907 1.821 17783 14036 1 25 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.868 -0.135 17783 14037 1 25 . 1 1 81 81 VAL H H 403 7.480 7.480 7.497 -0.017 17783 14038 1 25 . 1 1 82 82 SER N N 404 110.126 110.126 113.333 -3.207 17783 14039 1 25 . 1 1 82 82 SER HA H 404 4.143 4.143 4.269 -0.126 17783 14040 1 25 . 1 1 82 82 SER C C 404 174.813 174.813 175.898 -1.085 17783 14041 1 25 . 1 1 82 82 SER CA C 404 60.751 60.751 60.945 -0.194 17783 14042 1 25 . 1 1 82 82 SER CB C 404 63.287 63.287 63.415 -0.128 17783 14043 1 25 . 1 1 82 82 SER H H 404 7.326 7.326 8.218 -0.892 17783 14044 1 25 . 1 1 83 83 THR N N 405 110.438 110.438 115.136 -4.698 17783 14045 1 25 . 1 1 83 83 THR HA H 405 4.461 4.461 4.110 0.351 17783 14046 1 25 . 1 1 83 83 THR C C 405 175.081 175.081 175.455 -0.374 17783 14047 1 25 . 1 1 83 83 THR CA C 405 61.761 61.761 64.259 -2.498 17783 14048 1 25 . 1 1 83 83 THR CB C 405 69.795 69.795 69.095 0.700 17783 14049 1 25 . 1 1 83 83 THR H H 405 7.634 7.634 8.077 -0.443 17783 14050 1 25 . 1 1 84 84 LEU N N 406 123.244 123.244 123.881 -0.637 17783 14051 1 25 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.518 0.122 17783 14052 1 25 . 1 1 84 84 LEU C C 406 174.599 174.599 175.365 -0.766 17783 14053 1 25 . 1 1 84 84 LEU CA C 406 53.295 53.295 53.121 0.174 17783 14054 1 25 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.269 -0.560 17783 14055 1 25 . 1 1 84 84 LEU H H 406 7.478 7.478 7.414 0.064 17783 14056 1 25 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.538 -0.045 17783 14057 1 25 . 1 1 85 85 PRO C C 407 177.743 177.743 177.225 0.518 17783 14058 1 25 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.331 0.813 17783 14059 1 25 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.563 0.358 17783 14060 1 25 . 1 1 86 86 ALA N N 408 128.809 128.809 122.943 5.866 17783 14061 1 25 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.023 -0.077 17783 14062 1 25 . 1 1 86 86 ALA C C 408 180.517 180.517 179.324 1.193 17783 14063 1 25 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.404 1.101 17783 14064 1 25 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.323 0.022 17783 14065 1 25 . 1 1 86 86 ALA H H 408 9.168 9.168 8.587 0.581 17783 14066 1 25 . 1 1 87 87 ASP N N 409 116.520 116.520 119.015 -2.495 17783 14067 1 25 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.383 0.079 17783 14068 1 25 . 1 1 87 87 ASP C C 409 178.081 178.081 178.640 -0.559 17783 14069 1 25 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.570 -0.635 17783 14070 1 25 . 1 1 87 87 ASP CB C 409 40.359 40.359 39.997 0.362 17783 14071 1 25 . 1 1 87 87 ASP H H 409 9.359 9.359 8.606 0.753 17783 14072 1 25 . 1 1 88 88 VAL N N 410 117.452 117.452 116.947 0.505 17783 14073 1 25 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.108 -0.019 17783 14074 1 25 . 1 1 88 88 VAL C C 410 178.675 178.675 178.084 0.591 17783 14075 1 25 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.422 -0.547 17783 14076 1 25 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.090 -0.805 17783 14077 1 25 . 1 1 88 88 VAL H H 410 7.355 7.355 8.085 -0.730 17783 14078 1 25 . 1 1 89 89 GLN N N 411 119.387 119.387 118.705 0.682 17783 14079 1 25 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.244 -0.600 17783 14080 1 25 . 1 1 89 89 GLN C C 411 179.168 179.168 177.684 1.484 17783 14081 1 25 . 1 1 89 89 GLN CA C 411 60.712 60.712 57.139 3.573 17783 14082 1 25 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.619 -0.109 17783 14083 1 25 . 1 1 89 89 GLN H H 411 8.271 8.271 8.158 0.113 17783 14084 1 25 . 1 1 90 90 ALA N N 412 118.634 118.634 123.832 -5.198 17783 14085 1 25 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.174 0.091 17783 14086 1 25 . 1 1 90 90 ALA C C 412 177.949 177.949 178.001 -0.052 17783 14087 1 25 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.700 -0.759 17783 14088 1 25 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.586 -0.259 17783 14089 1 25 . 1 1 90 90 ALA H H 412 7.794 7.794 8.364 -0.570 17783 14090 1 25 . 1 1 91 91 LYS N N 413 115.842 115.842 116.583 -0.741 17783 14091 1 25 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.205 0.127 17783 14092 1 25 . 1 1 91 91 LYS C C 413 175.829 175.829 175.814 0.015 17783 14093 1 25 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.160 0.210 17783 14094 1 25 . 1 1 91 91 LYS CB C 413 31.484 31.484 30.869 0.615 17783 14095 1 25 . 1 1 91 91 LYS H H 413 7.398 7.398 7.837 -0.439 17783 14096 1 25 . 1 1 92 92 ASN N N 414 113.776 113.776 117.475 -3.699 17783 14097 1 25 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.494 0.042 17783 14098 1 25 . 1 1 92 92 ASN C C 414 171.075 171.075 173.698 -2.623 17783 14099 1 25 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.599 0.464 17783 14100 1 25 . 1 1 92 92 ASN CB C 414 37.081 37.081 36.590 0.491 17783 14101 1 25 . 1 1 92 92 ASN H H 414 8.178 8.178 7.762 0.416 17783 14102 1 25 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.417 0.585 17783 14103 1 25 . 1 1 93 93 PRO C C 415 175.682 175.682 175.718 -0.036 17783 14104 1 25 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.439 0.051 17783 14105 1 25 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.426 1.159 17783 14106 1 25 . 1 1 94 94 TRP N N 416 117.925 117.925 120.121 -2.196 17783 14107 1 25 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.892 0.125 17783 14108 1 25 . 1 1 94 94 TRP C C 416 173.607 173.607 174.784 -1.177 17783 14109 1 25 . 1 1 94 94 TRP CA C 416 53.995 53.995 55.136 -1.141 17783 14110 1 25 . 1 1 94 94 TRP CB C 416 31.507 31.507 30.472 1.035 17783 14111 1 25 . 1 1 94 94 TRP H H 416 7.921 7.921 8.222 -0.301 17783 14112 1 25 . 1 1 95 95 ALA N N 417 123.924 123.924 124.823 -0.899 17783 14113 1 25 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.081 0.674 17783 14114 1 25 . 1 1 95 95 ALA C C 417 174.171 174.171 176.160 -1.989 17783 14115 1 25 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.629 -0.992 17783 14116 1 25 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.538 -0.070 17783 14117 1 25 . 1 1 95 95 ALA H H 417 8.878 8.878 8.283 0.595 17783 14118 1 25 . 1 1 96 96 LYS N N 418 129.441 129.441 121.470 7.971 17783 14119 1 25 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.153 0.868 17783 14120 1 25 . 1 1 96 96 LYS C C 418 173.451 173.451 173.632 -0.181 17783 14121 1 25 . 1 1 96 96 LYS CA C 418 52.564 52.564 53.015 -0.451 17783 14122 1 25 . 1 1 96 96 LYS CB C 418 36.983 36.983 33.318 3.665 17783 14123 1 25 . 1 1 96 96 LYS H H 418 9.235 9.235 8.284 0.951 17783 14124 1 25 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.075 -0.311 17783 14125 1 25 . 1 1 97 97 PRO C C 419 178.893 178.893 177.240 1.653 17783 14126 1 25 . 1 1 97 97 PRO CA C 419 62.895 62.895 63.436 -0.541 17783 14127 1 25 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.008 0.712 17783 14128 1 25 . 1 1 98 98 LEU N N 420 126.746 126.746 125.077 1.669 17783 14129 1 25 . 1 1 98 98 LEU HA H 420 3.803 3.803 3.854 -0.051 17783 14130 1 25 . 1 1 98 98 LEU C C 420 179.040 179.040 178.512 0.528 17783 14131 1 25 . 1 1 98 98 LEU CA C 420 57.368 57.368 57.376 -0.008 17783 14132 1 25 . 1 1 98 98 LEU CB C 420 39.941 39.941 42.037 -2.096 17783 14133 1 25 . 1 1 98 98 LEU H H 420 9.179 9.179 8.053 1.126 17783 14134 1 25 . 1 1 99 99 ARG N N 421 118.262 118.262 118.017 0.245 17783 14135 1 25 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.771 0.288 17783 14136 1 25 . 1 1 99 99 ARG C C 421 178.140 178.140 178.497 -0.357 17783 14137 1 25 . 1 1 99 99 ARG CA C 421 59.093 59.093 59.773 -0.680 17783 14138 1 25 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.310 0.646 17783 14139 1 25 . 1 1 99 99 ARG H H 421 8.014 8.014 8.129 -0.115 17783 14140 1 25 . 1 1 100 100 GLN N N 422 116.539 116.539 118.695 -2.156 17783 14141 1 25 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.056 0.154 17783 14142 1 25 . 1 1 100 100 GLN C C 422 177.594 177.594 178.307 -0.713 17783 14143 1 25 . 1 1 100 100 GLN CA C 422 57.733 57.733 58.721 -0.988 17783 14144 1 25 . 1 1 100 100 GLN CB C 422 29.178 29.178 27.849 1.329 17783 14145 1 25 . 1 1 100 100 GLN H H 422 7.258 7.258 7.794 -0.536 17783 14146 1 25 . 1 1 101 101 VAL N N 423 119.665 119.665 116.067 3.598 17783 14147 1 25 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.841 -0.293 17783 14148 1 25 . 1 1 101 101 VAL C C 423 177.040 177.040 177.352 -0.312 17783 14149 1 25 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.503 -0.056 17783 14150 1 25 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.544 1.010 17783 14151 1 25 . 1 1 101 101 VAL H H 423 7.090 7.090 8.160 -1.070 17783 14152 1 25 . 1 1 102 102 GLN N N 424 115.032 115.032 115.870 -0.838 17783 14153 1 25 . 1 1 102 102 GLN HA H 424 3.565 3.565 4.205 -0.640 17783 14154 1 25 . 1 1 102 102 GLN C C 424 177.994 177.994 178.168 -0.174 17783 14155 1 25 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.299 1.584 17783 14156 1 25 . 1 1 102 102 GLN CB C 424 27.060 27.060 29.445 -2.385 17783 14157 1 25 . 1 1 102 102 GLN H H 424 8.553 8.553 7.545 1.008 17783 14158 1 25 . 1 1 103 103 ALA N N 425 120.742 120.742 124.347 -3.605 17783 14159 1 25 . 1 1 103 103 ALA HA H 425 4.158 4.158 3.964 0.194 17783 14160 1 25 . 1 1 103 103 ALA C C 425 178.545 178.545 178.505 0.040 17783 14161 1 25 . 1 1 103 103 ALA CA C 425 54.275 54.275 55.200 -0.925 17783 14162 1 25 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.311 0.012 17783 14163 1 25 . 1 1 103 103 ALA H H 425 7.366 7.366 8.554 -1.188 17783 14164 1 25 . 1 1 104 104 ASP N N 426 117.066 117.066 117.420 -0.354 17783 14165 1 25 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.630 0.078 17783 14166 1 25 . 1 1 104 104 ASP C C 426 176.876 176.876 175.342 1.534 17783 14167 1 25 . 1 1 104 104 ASP CA C 426 55.223 55.223 54.322 0.901 17783 14168 1 25 . 1 1 104 104 ASP CB C 426 42.500 42.500 40.905 1.595 17783 14169 1 25 . 1 1 104 104 ASP H H 426 7.628 7.628 7.979 -0.351 17783 14170 1 25 . 1 1 105 105 LEU N N 427 119.853 119.853 119.310 0.543 17783 14171 1 25 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.524 -0.225 17783 14172 1 25 . 1 1 105 105 LEU C C 427 176.118 176.118 175.306 0.812 17783 14173 1 25 . 1 1 105 105 LEU CA C 427 54.986 54.986 54.770 0.216 17783 14174 1 25 . 1 1 105 105 LEU CB C 427 42.078 42.078 43.371 -1.293 17783 14175 1 25 . 1 1 105 105 LEU H H 427 7.242 7.242 7.723 -0.481 17783 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 92 2.754 0.128 2.766 17783 2 1 1 "Average Difference" HA 105 0.399 -0.032 0.400 17783 3 1 1 "Average Difference" C 98 0.959 0.084 0.960 17783 4 1 1 "Average Difference" CA 99 1.029 0.107 1.029 17783 5 1 1 "Average Difference" CB 93 1.338 -0.447 1.268 17783 6 1 1 "Average Difference" HN 92 0.581 -0.099 0.576 17783 7 1 2 "Average Difference" N 92 2.954 0.255 2.959 17783 8 1 2 "Average Difference" HA 105 0.410 -0.042 0.409 17783 9 1 2 "Average Difference" C 98 0.920 0.095 0.920 17783 10 1 2 "Average Difference" CA 99 0.989 0.025 0.993 17783 11 1 2 "Average Difference" CB 93 1.321 -0.439 1.253 17783 12 1 2 "Average Difference" HN 92 0.602 -0.117 0.594 17783 13 1 3 "Average Difference" N 92 2.788 0.414 2.773 17783 14 1 3 "Average Difference" HA 105 0.390 -0.063 0.387 17783 15 1 3 "Average Difference" C 98 0.913 0.063 0.916 17783 16 1 3 "Average Difference" CA 99 0.979 0.042 0.983 17783 17 1 3 "Average Difference" CB 93 1.348 -0.364 1.305 17783 18 1 3 "Average Difference" HN 92 0.627 -0.126 0.618 17783 19 1 4 "Average Difference" N 92 2.827 0.053 2.842 17783 20 1 4 "Average Difference" HA 105 0.395 -0.054 0.393 17783 21 1 4 "Average Difference" C 98 1.013 0.091 1.014 17783 22 1 4 "Average Difference" CA 99 0.991 0.038 0.996 17783 23 1 4 "Average Difference" CB 93 1.183 -0.495 1.081 17783 24 1 4 "Average Difference" HN 92 0.584 -0.140 0.570 17783 25 1 5 "Average Difference" N 92 3.023 0.059 3.039 17783 26 1 5 "Average Difference" HA 105 0.392 -0.052 0.391 17783 27 1 5 "Average Difference" C 98 0.946 0.103 0.945 17783 28 1 5 "Average Difference" CA 99 0.925 0.015 0.930 17783 29 1 5 "Average Difference" CB 93 1.218 -0.367 1.168 17783 30 1 5 "Average Difference" HN 92 0.620 -0.111 0.613 17783 31 1 6 "Average Difference" N 92 2.908 0.222 2.916 17783 32 1 6 "Average Difference" HA 105 0.392 -0.064 0.388 17783 33 1 6 "Average Difference" C 98 0.988 0.134 0.984 17783 34 1 6 "Average Difference" CA 99 0.976 0.106 0.975 17783 35 1 6 "Average Difference" CB 93 1.353 -0.452 1.282 17783 36 1 6 "Average Difference" HN 92 0.636 -0.114 0.629 17783 37 1 7 "Average Difference" N 92 2.885 0.225 2.892 17783 38 1 7 "Average Difference" HA 105 0.407 -0.049 0.405 17783 39 1 7 "Average Difference" C 98 0.951 0.139 0.946 17783 40 1 7 "Average Difference" CA 99 1.067 0.099 1.068 17783 41 1 7 "Average Difference" CB 93 1.301 -0.450 1.228 17783 42 1 7 "Average Difference" HN 92 0.589 -0.112 0.581 17783 43 1 8 "Average Difference" N 92 3.123 -0.043 3.139 17783 44 1 8 "Average Difference" HA 105 0.390 -0.039 0.390 17783 45 1 8 "Average Difference" C 98 0.973 0.149 0.966 17783 46 1 8 "Average Difference" CA 99 0.965 0.066 0.967 17783 47 1 8 "Average Difference" CB 93 1.151 -0.328 1.110 17783 48 1 8 "Average Difference" HN 92 0.570 -0.085 0.567 17783 49 1 9 "Average Difference" N 92 3.077 0.273 3.082 17783 50 1 9 "Average Difference" HA 105 0.374 -0.062 0.371 17783 51 1 9 "Average Difference" C 98 0.969 0.093 0.969 17783 52 1 9 "Average Difference" CA 99 1.054 0.126 1.052 17783 53 1 9 "Average Difference" CB 93 1.265 -0.414 1.202 17783 54 1 9 "Average Difference" HN 92 0.604 -0.055 0.605 17783 55 1 10 "Average Difference" N 92 3.280 0.235 3.290 17783 56 1 10 "Average Difference" HA 105 0.388 -0.029 0.389 17783 57 1 10 "Average Difference" C 98 1.014 -0.035 1.019 17783 58 1 10 "Average Difference" CA 99 1.052 0.073 1.055 17783 59 1 10 "Average Difference" CB 93 1.190 -0.368 1.138 17783 60 1 10 "Average Difference" HN 92 0.595 -0.055 0.596 17783 61 1 11 "Average Difference" N 92 2.689 0.086 2.703 17783 62 1 11 "Average Difference" HA 105 0.418 -0.064 0.415 17783 63 1 11 "Average Difference" C 98 0.936 -0.011 0.941 17783 64 1 11 "Average Difference" CA 99 1.037 0.069 1.040 17783 65 1 11 "Average Difference" CB 93 1.196 -0.357 1.147 17783 66 1 11 "Average Difference" HN 92 0.604 -0.129 0.594 17783 67 1 12 "Average Difference" N 92 2.734 0.253 2.738 17783 68 1 12 "Average Difference" HA 105 0.429 -0.068 0.426 17783 69 1 12 "Average Difference" C 98 0.904 0.077 0.905 17783 70 1 12 "Average Difference" CA 99 0.960 0.033 0.964 17783 71 1 12 "Average Difference" CB 93 1.314 -0.517 1.215 17783 72 1 12 "Average Difference" HN 92 0.666 -0.131 0.657 17783 73 1 13 "Average Difference" N 92 2.894 0.245 2.899 17783 74 1 13 "Average Difference" HA 105 0.382 -0.066 0.378 17783 75 1 13 "Average Difference" C 98 1.009 0.055 1.012 17783 76 1 13 "Average Difference" CA 99 0.912 0.040 0.916 17783 77 1 13 "Average Difference" CB 93 1.399 -0.451 1.331 17783 78 1 13 "Average Difference" HN 92 0.635 -0.156 0.619 17783 79 1 14 "Average Difference" N 92 3.094 0.072 3.110 17783 80 1 14 "Average Difference" HA 105 0.405 -0.062 0.402 17783 81 1 14 "Average Difference" C 98 0.955 0.054 0.958 17783 82 1 14 "Average Difference" CA 99 0.970 0.010 0.975 17783 83 1 14 "Average Difference" CB 93 1.240 -0.403 1.179 17783 84 1 14 "Average Difference" HN 92 0.614 -0.096 0.610 17783 85 1 15 "Average Difference" N 92 2.684 0.226 2.689 17783 86 1 15 "Average Difference" HA 105 0.397 -0.065 0.393 17783 87 1 15 "Average Difference" C 98 0.959 0.092 0.959 17783 88 1 15 "Average Difference" CA 99 1.027 0.077 1.030 17783 89 1 15 "Average Difference" CB 93 1.349 -0.332 1.315 17783 90 1 15 "Average Difference" HN 92 0.673 -0.112 0.668 17783 91 1 16 "Average Difference" N 92 2.591 -0.195 2.598 17783 92 1 16 "Average Difference" HA 105 0.361 -0.031 0.361 17783 93 1 16 "Average Difference" C 98 0.932 0.081 0.934 17783 94 1 16 "Average Difference" CA 99 0.930 -0.004 0.935 17783 95 1 16 "Average Difference" CB 93 1.107 -0.275 1.079 17783 96 1 16 "Average Difference" HN 92 0.602 -0.106 0.595 17783 97 1 17 "Average Difference" N 92 3.245 0.085 3.262 17783 98 1 17 "Average Difference" HA 105 0.415 -0.011 0.417 17783 99 1 17 "Average Difference" C 98 0.945 0.042 0.949 17783 100 1 17 "Average Difference" CA 99 1.014 -0.008 1.020 17783 101 1 17 "Average Difference" CB 93 1.340 -0.355 1.300 17783 102 1 17 "Average Difference" HN 92 0.617 -0.066 0.616 17783 103 1 18 "Average Difference" N 92 3.407 0.186 3.420 17783 104 1 18 "Average Difference" HA 105 0.413 -0.018 0.415 17783 105 1 18 "Average Difference" C 98 0.999 -0.032 1.004 17783 106 1 18 "Average Difference" CA 99 0.990 0.014 0.995 17783 107 1 18 "Average Difference" CB 93 1.318 -0.366 1.273 17783 108 1 18 "Average Difference" HN 92 0.591 -0.118 0.582 17783 109 1 19 "Average Difference" N 92 3.024 0.360 3.019 17783 110 1 19 "Average Difference" HA 105 0.385 -0.066 0.381 17783 111 1 19 "Average Difference" C 98 0.951 0.183 0.938 17783 112 1 19 "Average Difference" CA 99 1.086 0.049 1.091 17783 113 1 19 "Average Difference" CB 93 1.414 -0.557 1.306 17783 114 1 19 "Average Difference" HN 92 0.625 -0.110 0.618 17783 115 1 20 "Average Difference" N 92 3.059 0.202 3.069 17783 116 1 20 "Average Difference" HA 105 0.428 -0.061 0.426 17783 117 1 20 "Average Difference" C 98 1.042 0.014 1.047 17783 118 1 20 "Average Difference" CA 99 1.063 0.084 1.066 17783 119 1 20 "Average Difference" CB 93 1.317 -0.320 1.284 17783 120 1 20 "Average Difference" HN 92 0.619 -0.108 0.613 17783 121 1 21 "Average Difference" N 92 2.472 0.374 2.457 17783 122 1 21 "Average Difference" HA 105 0.397 -0.043 0.396 17783 123 1 21 "Average Difference" C 98 0.978 0.087 0.979 17783 124 1 21 "Average Difference" CA 99 1.067 0.041 1.072 17783 125 1 21 "Average Difference" CB 93 1.386 -0.412 1.331 17783 126 1 21 "Average Difference" HN 92 0.619 -0.081 0.617 17783 127 1 22 "Average Difference" N 92 2.870 0.237 2.875 17783 128 1 22 "Average Difference" HA 105 0.443 -0.051 0.442 17783 129 1 22 "Average Difference" C 98 0.943 -0.002 0.947 17783 130 1 22 "Average Difference" CA 99 1.038 -0.009 1.044 17783 131 1 22 "Average Difference" CB 93 1.345 -0.386 1.295 17783 132 1 22 "Average Difference" HN 92 0.601 -0.113 0.593 17783 133 1 23 "Average Difference" N 92 2.600 0.505 2.565 17783 134 1 23 "Average Difference" HA 105 0.393 -0.043 0.392 17783 135 1 23 "Average Difference" C 98 0.971 0.142 0.965 17783 136 1 23 "Average Difference" CA 99 0.912 0.095 0.911 17783 137 1 23 "Average Difference" CB 93 1.150 -0.243 1.130 17783 138 1 23 "Average Difference" HN 92 0.581 -0.051 0.582 17783 139 1 24 "Average Difference" N 92 2.976 -0.253 2.982 17783 140 1 24 "Average Difference" HA 105 0.388 -0.022 0.389 17783 141 1 24 "Average Difference" C 98 1.031 -0.009 1.036 17783 142 1 24 "Average Difference" CA 99 0.916 -0.062 0.919 17783 143 1 24 "Average Difference" CB 93 1.157 -0.337 1.113 17783 144 1 24 "Average Difference" HN 92 0.629 -0.118 0.621 17783 145 1 25 "Average Difference" N 92 2.778 0.039 2.793 17783 146 1 25 "Average Difference" HA 105 0.402 -0.032 0.402 17783 147 1 25 "Average Difference" C 98 0.902 0.009 0.907 17783 148 1 25 "Average Difference" CA 99 0.992 0.005 0.997 17783 149 1 25 "Average Difference" CB 93 1.260 -0.288 1.234 17783 150 1 25 "Average Difference" HN 92 0.635 -0.095 0.631 17783 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 17783 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ARG N N 324 121.883 121.883 121.652 0.231 17783 2 1 . 1 1 2 2 ARG HA H 324 4.344 4.344 4.355 -0.011 17783 3 1 . 1 1 2 2 ARG C C 324 176.887 176.887 176.346 0.541 17783 4 1 . 1 1 2 2 ARG CA C 324 56.505 56.505 56.452 0.053 17783 5 1 . 1 1 2 2 ARG CB C 324 30.734 30.734 30.082 0.652 17783 6 1 . 1 1 2 2 ARG H H 324 8.373 8.373 8.438 -0.065 17783 7 1 . 1 1 3 3 GLY N N 325 111.231 111.231 109.752 1.479 17783 8 1 . 1 1 3 3 GLY C C 325 174.037 174.037 174.042 -0.005 17783 9 1 . 1 1 3 3 GLY CA C 325 45.228 45.228 45.140 0.088 17783 10 1 . 1 1 3 3 GLY H H 325 8.683 8.683 8.391 0.292 17783 11 1 . 1 1 4 4 SER N N 326 115.541 115.541 116.272 -0.731 17783 12 1 . 1 1 4 4 SER HA H 326 4.377 4.377 4.348 0.029 17783 13 1 . 1 1 4 4 SER C C 326 174.454 174.454 173.931 0.523 17783 14 1 . 1 1 4 4 SER CA C 326 58.315 58.315 58.412 -0.097 17783 15 1 . 1 1 4 4 SER CB C 326 63.902 63.902 63.364 0.538 17783 16 1 . 1 1 4 4 SER H H 326 8.237 8.237 8.107 0.130 17783 17 1 . 1 1 10 10 HIS HA H 332 4.580 4.580 4.308 0.272 17783 18 1 . 1 1 10 10 HIS C C 332 175.292 175.292 175.417 -0.125 17783 19 1 . 1 1 10 10 HIS CA C 332 55.946 55.946 55.704 0.242 17783 20 1 . 1 1 10 10 HIS CB C 332 30.123 30.123 29.468 0.655 17783 21 1 . 1 1 11 11 GLY N N 333 110.527 110.527 109.899 0.628 17783 22 1 . 1 1 11 11 GLY C C 333 174.126 174.126 174.300 -0.174 17783 23 1 . 1 1 11 11 GLY CA C 333 45.327 45.327 45.208 0.119 17783 24 1 . 1 1 11 11 GLY H H 333 8.540 8.540 8.145 0.395 17783 25 1 . 1 1 12 12 SER N N 334 115.752 115.752 116.073 -0.321 17783 26 1 . 1 1 12 12 SER HA H 334 4.436 4.436 4.048 0.388 17783 27 1 . 1 1 12 12 SER C C 334 174.538 174.538 174.158 0.380 17783 28 1 . 1 1 12 12 SER CA C 334 58.486 58.486 58.478 0.008 17783 29 1 . 1 1 12 12 SER CB C 334 63.927 63.927 63.114 0.813 17783 30 1 . 1 1 12 12 SER H H 334 8.356 8.356 7.710 0.646 17783 31 1 . 1 1 13 13 ASN N N 335 120.410 120.410 121.138 -0.728 17783 32 1 . 1 1 13 13 ASN HA H 335 4.729 4.729 4.596 0.133 17783 33 1 . 1 1 13 13 ASN C C 335 175.116 175.116 174.403 0.713 17783 34 1 . 1 1 13 13 ASN CA C 335 53.386 53.386 53.417 -0.031 17783 35 1 . 1 1 13 13 ASN CB C 335 38.668 38.668 38.832 -0.164 17783 36 1 . 1 1 13 13 ASN H H 335 8.575 8.575 8.357 0.218 17783 37 1 . 1 1 14 14 ASN N N 336 119.094 119.094 119.097 -0.003 17783 38 1 . 1 1 14 14 ASN HA H 336 4.729 4.729 4.572 0.157 17783 39 1 . 1 1 14 14 ASN C C 336 175.395 175.395 174.132 1.263 17783 40 1 . 1 1 14 14 ASN CA C 336 53.385 53.385 53.523 -0.138 17783 41 1 . 1 1 14 14 ASN CB C 336 38.669 38.669 38.562 0.107 17783 42 1 . 1 1 14 14 ASN H H 336 8.447 8.447 8.528 -0.081 17783 43 1 . 1 1 15 15 ASN N N 337 118.915 118.915 118.719 0.196 17783 44 1 . 1 1 15 15 ASN HA H 337 4.534 4.534 4.705 -0.171 17783 45 1 . 1 1 15 15 ASN C C 337 176.390 176.390 174.918 1.472 17783 46 1 . 1 1 15 15 ASN CA C 337 53.991 53.991 53.366 0.625 17783 47 1 . 1 1 15 15 ASN CB C 337 38.621 38.621 39.079 -0.458 17783 48 1 . 1 1 15 15 ASN H H 337 8.446 8.446 8.387 0.059 17783 49 1 . 1 1 16 16 GLY N N 338 108.851 108.851 108.227 0.624 17783 50 1 . 1 1 16 16 GLY C C 338 175.459 175.459 175.112 0.347 17783 51 1 . 1 1 16 16 GLY CA C 338 46.752 46.752 45.566 1.185 17783 52 1 . 1 1 16 16 GLY H H 338 8.454 8.454 8.351 0.103 17783 53 1 . 1 1 17 17 SER N N 339 116.218 116.218 116.274 -0.056 17783 54 1 . 1 1 17 17 SER HA H 339 4.229 4.229 4.332 -0.103 17783 55 1 . 1 1 17 17 SER C C 339 175.869 175.869 175.737 0.132 17783 56 1 . 1 1 17 17 SER CA C 339 59.759 59.759 59.540 0.219 17783 57 1 . 1 1 17 17 SER CB C 339 62.973 62.973 62.995 -0.022 17783 58 1 . 1 1 17 17 SER H H 339 8.170 8.170 8.360 -0.190 17783 59 1 . 1 1 18 18 LEU N N 340 121.515 121.515 120.922 0.593 17783 60 1 . 1 1 18 18 LEU HA H 340 4.002 4.002 4.168 -0.166 17783 61 1 . 1 1 18 18 LEU C C 340 178.399 178.399 178.134 0.265 17783 62 1 . 1 1 18 18 LEU CA C 340 57.151 57.151 56.888 0.263 17783 63 1 . 1 1 18 18 LEU CB C 340 42.076 42.076 41.571 0.505 17783 64 1 . 1 1 18 18 LEU H H 340 7.790 7.790 7.868 -0.078 17783 65 1 . 1 1 19 19 LYS N N 341 117.145 117.145 117.609 -0.464 17783 66 1 . 1 1 19 19 LYS HA H 341 3.808 3.808 4.054 -0.246 17783 67 1 . 1 1 19 19 LYS C C 341 176.960 176.960 177.896 -0.936 17783 68 1 . 1 1 19 19 LYS CA C 341 59.192 59.192 58.265 0.927 17783 69 1 . 1 1 19 19 LYS CB C 341 32.793 32.793 31.991 0.802 17783 70 1 . 1 1 19 19 LYS H H 341 7.893 7.893 7.710 0.183 17783 71 1 . 1 1 20 20 SER N N 342 110.377 110.377 114.965 -4.588 17783 72 1 . 1 1 20 20 SER HA H 342 4.369 4.369 4.320 0.049 17783 73 1 . 1 1 20 20 SER C C 342 173.735 173.735 174.139 -0.404 17783 74 1 . 1 1 20 20 SER CA C 342 58.141 58.141 58.761 -0.620 17783 75 1 . 1 1 20 20 SER CB C 342 63.900 63.900 62.747 1.153 17783 76 1 . 1 1 20 20 SER H H 342 7.546 7.546 7.854 -0.308 17783 77 1 . 1 1 21 21 ALA N N 343 125.662 125.662 124.723 0.939 17783 78 1 . 1 1 21 21 ALA HA H 343 4.362 4.362 4.521 -0.159 17783 79 1 . 1 1 21 21 ALA C C 343 174.051 174.051 175.116 -1.065 17783 80 1 . 1 1 21 21 ALA CA C 343 50.572 50.572 49.819 0.753 17783 81 1 . 1 1 21 21 ALA CB C 343 18.134 18.134 19.200 -1.066 17783 82 1 . 1 1 21 21 ALA H H 343 6.852 6.852 7.599 -0.747 17783 83 1 . 1 1 22 22 PRO HA H 344 4.238 4.238 4.386 -0.148 17783 84 1 . 1 1 22 22 PRO C C 344 178.184 178.184 176.540 1.644 17783 85 1 . 1 1 22 22 PRO CA C 344 63.082 63.082 62.760 0.322 17783 86 1 . 1 1 22 22 PRO CB C 344 31.604 31.604 31.076 0.528 17783 87 1 . 1 1 23 23 SER N N 345 118.662 118.662 119.601 -0.939 17783 88 1 . 1 1 23 23 SER HA H 345 3.825 3.825 4.201 -0.376 17783 89 1 . 1 1 23 23 SER C C 345 174.231 174.231 175.366 -1.135 17783 90 1 . 1 1 23 23 SER CA C 345 60.892 60.892 59.401 1.491 17783 91 1 . 1 1 23 23 SER CB C 345 63.223 63.223 63.061 0.162 17783 92 1 . 1 1 23 23 SER H H 345 8.566 8.566 8.251 0.315 17783 93 1 . 1 1 24 24 SER N N 346 111.938 111.938 116.324 -4.386 17783 94 1 . 1 1 24 24 SER HA H 346 4.383 4.383 4.323 0.060 17783 95 1 . 1 1 24 24 SER C C 346 175.152 175.152 174.614 0.538 17783 96 1 . 1 1 24 24 SER CA C 346 58.247 58.247 59.879 -1.632 17783 97 1 . 1 1 24 24 SER CB C 346 63.958 63.958 63.140 0.818 17783 98 1 . 1 1 24 24 SER H H 346 7.675 7.675 8.117 -0.442 17783 99 1 . 1 1 25 25 HIS N N 347 122.882 122.882 119.795 3.087 17783 100 1 . 1 1 25 25 HIS HA H 347 4.850 4.850 4.717 0.133 17783 101 1 . 1 1 25 25 HIS C C 347 173.574 173.574 174.738 -1.164 17783 102 1 . 1 1 25 25 HIS CA C 347 56.075 56.075 56.092 -0.017 17783 103 1 . 1 1 25 25 HIS CB C 347 31.848 31.848 30.611 1.237 17783 104 1 . 1 1 25 25 HIS H H 347 7.628 7.628 7.368 0.260 17783 105 1 . 1 1 26 26 TYR N N 348 117.921 117.921 120.988 -3.067 17783 106 1 . 1 1 26 26 TYR HA H 348 4.989 4.989 4.682 0.307 17783 107 1 . 1 1 26 26 TYR C C 348 174.086 174.086 174.827 -0.741 17783 108 1 . 1 1 26 26 TYR CA C 348 58.187 58.187 58.083 0.104 17783 109 1 . 1 1 26 26 TYR CB C 348 43.834 43.834 41.844 1.990 17783 110 1 . 1 1 26 26 TYR H H 348 9.606 9.606 8.466 1.140 17783 111 1 . 1 1 27 27 THR N N 349 115.914 115.914 114.914 1.000 17783 112 1 . 1 1 27 27 THR HA H 349 5.027 5.027 4.775 0.252 17783 113 1 . 1 1 27 27 THR C C 349 172.904 172.904 173.252 -0.348 17783 114 1 . 1 1 27 27 THR CA C 349 58.835 58.835 61.176 -2.341 17783 115 1 . 1 1 27 27 THR CB C 349 70.587 70.587 70.022 0.565 17783 116 1 . 1 1 27 27 THR H H 349 8.974 8.974 8.380 0.594 17783 117 1 . 1 1 28 28 LEU N N 350 123.392 123.392 124.661 -1.269 17783 118 1 . 1 1 28 28 LEU HA H 350 4.989 4.989 4.379 0.610 17783 119 1 . 1 1 28 28 LEU C C 350 176.111 176.111 176.009 0.102 17783 120 1 . 1 1 28 28 LEU CA C 350 53.098 53.098 54.965 -1.867 17783 121 1 . 1 1 28 28 LEU CB C 350 44.870 44.870 43.373 1.497 17783 122 1 . 1 1 28 28 LEU H H 350 8.249 8.249 8.558 -0.309 17783 123 1 . 1 1 29 29 GLN N N 351 122.797 122.797 117.391 5.406 17783 124 1 . 1 1 29 29 GLN HA H 351 4.553 4.553 4.675 -0.122 17783 125 1 . 1 1 29 29 GLN C C 351 175.435 175.435 175.582 -0.147 17783 126 1 . 1 1 29 29 GLN CA C 351 55.943 55.943 54.799 1.144 17783 127 1 . 1 1 29 29 GLN CB C 351 27.231 27.231 30.811 -3.580 17783 128 1 . 1 1 29 29 GLN H H 351 8.915 8.915 8.130 0.785 17783 129 1 . 1 1 30 30 LEU N N 352 125.239 125.239 124.057 1.182 17783 130 1 . 1 1 30 30 LEU HA H 352 4.367 4.367 4.634 -0.267 17783 131 1 . 1 1 30 30 LEU C C 352 177.250 177.250 176.288 0.962 17783 132 1 . 1 1 30 30 LEU CA C 352 56.101 56.101 55.918 0.183 17783 133 1 . 1 1 30 30 LEU CB C 352 43.100 43.100 43.184 -0.084 17783 134 1 . 1 1 30 30 LEU H H 352 8.920 8.920 8.492 0.428 17783 135 1 . 1 1 31 31 SER N N 353 106.816 106.816 110.517 -3.701 17783 136 1 . 1 1 31 31 SER HA H 353 4.493 4.493 4.633 -0.140 17783 137 1 . 1 1 31 31 SER C C 353 171.831 171.831 172.579 -0.748 17783 138 1 . 1 1 31 31 SER CA C 353 57.160 57.160 57.728 -0.568 17783 139 1 . 1 1 31 31 SER CB C 353 64.360 64.360 64.705 -0.345 17783 140 1 . 1 1 31 31 SER H H 353 7.548 7.548 8.069 -0.521 17783 141 1 . 1 1 32 32 SER N N 354 113.518 113.518 115.891 -2.373 17783 142 1 . 1 1 32 32 SER HA H 354 5.026 5.026 4.345 0.681 17783 143 1 . 1 1 32 32 SER C C 354 172.512 172.512 171.865 0.647 17783 144 1 . 1 1 32 32 SER CA C 354 57.285 57.285 57.143 0.142 17783 145 1 . 1 1 32 32 SER CB C 354 65.347 65.347 64.960 0.387 17783 146 1 . 1 1 32 32 SER H H 354 8.127 8.127 8.196 -0.069 17783 147 1 . 1 1 33 33 SER N N 355 114.624 114.624 115.466 -0.842 17783 148 1 . 1 1 33 33 SER HA H 355 4.106 4.106 4.198 -0.092 17783 149 1 . 1 1 33 33 SER C C 355 171.639 171.639 171.913 -0.274 17783 150 1 . 1 1 33 33 SER CA C 355 57.276 57.276 57.581 -0.305 17783 151 1 . 1 1 33 33 SER CB C 355 64.539 64.539 64.303 0.236 17783 152 1 . 1 1 33 33 SER H H 355 8.616 8.616 6.403 2.213 17783 153 1 . 1 1 34 34 SER N N 356 116.467 116.467 115.578 0.889 17783 154 1 . 1 1 34 34 SER HA H 356 4.241 4.241 4.960 -0.719 17783 155 1 . 1 1 34 34 SER C C 356 173.820 173.820 173.047 0.773 17783 156 1 . 1 1 34 34 SER CA C 356 59.074 59.074 58.059 1.015 17783 157 1 . 1 1 34 34 SER CB C 356 63.741 63.741 63.482 0.259 17783 158 1 . 1 1 34 34 SER H H 356 8.132 8.132 8.373 -0.241 17783 159 1 . 1 1 35 35 ASN N N 357 122.206 122.206 119.171 3.035 17783 160 1 . 1 1 35 35 ASN HA H 357 4.921 4.921 5.048 -0.127 17783 161 1 . 1 1 35 35 ASN C C 357 172.965 172.965 174.069 -1.104 17783 162 1 . 1 1 35 35 ASN CA C 357 52.447 52.447 53.194 -0.747 17783 163 1 . 1 1 35 35 ASN CB C 357 40.925 40.925 40.637 0.288 17783 164 1 . 1 1 35 35 ASN H H 357 8.511 8.511 8.211 0.300 17783 165 1 . 1 1 36 36 TYR N N 358 127.519 127.519 125.108 2.411 17783 166 1 . 1 1 36 36 TYR HA H 358 2.972 2.972 3.967 -0.995 17783 167 1 . 1 1 36 36 TYR C C 358 176.522 176.522 176.346 0.176 17783 168 1 . 1 1 36 36 TYR CA C 358 61.969 61.969 61.851 0.118 17783 169 1 . 1 1 36 36 TYR CB C 358 37.711 37.711 38.719 -1.008 17783 170 1 . 1 1 36 36 TYR H H 358 8.002 8.002 8.791 -0.789 17783 171 1 . 1 1 37 37 ASP N N 359 118.658 118.658 118.780 -0.122 17783 172 1 . 1 1 37 37 ASP HA H 359 4.144 4.144 4.337 -0.193 17783 173 1 . 1 1 37 37 ASP C C 359 179.804 179.804 178.160 1.644 17783 174 1 . 1 1 37 37 ASP CA C 359 57.503 57.503 57.717 -0.214 17783 175 1 . 1 1 37 37 ASP CB C 359 40.178 40.178 40.174 0.004 17783 176 1 . 1 1 37 37 ASP H H 359 8.033 8.033 8.820 -0.787 17783 177 1 . 1 1 38 38 ASN N N 360 119.802 119.802 117.100 2.702 17783 178 1 . 1 1 38 38 ASN HA H 360 4.303 4.303 4.579 -0.276 17783 179 1 . 1 1 38 38 ASN C C 360 177.720 177.720 177.341 0.379 17783 180 1 . 1 1 38 38 ASN CA C 360 55.450 55.450 55.207 0.243 17783 181 1 . 1 1 38 38 ASN CB C 360 37.763 37.763 38.361 -0.597 17783 182 1 . 1 1 38 38 ASN H H 360 8.380 8.380 8.358 0.022 17783 183 1 . 1 1 39 39 LEU N N 361 121.625 121.625 121.539 0.086 17783 184 1 . 1 1 39 39 LEU HA H 361 4.097 4.097 4.179 -0.082 17783 185 1 . 1 1 39 39 LEU C C 361 177.738 177.738 177.868 -0.130 17783 186 1 . 1 1 39 39 LEU CA C 361 57.565 57.565 58.033 -0.468 17783 187 1 . 1 1 39 39 LEU CB C 361 42.728 42.728 41.785 0.943 17783 188 1 . 1 1 39 39 LEU H H 361 7.243 7.243 7.915 -0.672 17783 189 1 . 1 1 40 40 ASN N N 362 116.601 116.601 117.285 -0.684 17783 190 1 . 1 1 40 40 ASN HA H 362 4.145 4.145 4.220 -0.075 17783 191 1 . 1 1 40 40 ASN C C 362 177.253 177.253 177.672 -0.419 17783 192 1 . 1 1 40 40 ASN CA C 362 56.527 56.527 56.501 0.026 17783 193 1 . 1 1 40 40 ASN CB C 362 39.326 39.326 37.877 1.449 17783 194 1 . 1 1 40 40 ASN H H 362 8.284 8.284 8.181 0.103 17783 195 1 . 1 1 41 41 GLY N N 363 104.958 104.958 107.574 -2.616 17783 196 1 . 1 1 41 41 GLY C C 363 176.323 176.323 175.480 0.843 17783 197 1 . 1 1 41 41 GLY CA C 363 46.839 46.839 46.739 0.100 17783 198 1 . 1 1 41 41 GLY H H 363 8.334 8.334 7.930 0.404 17783 199 1 . 1 1 42 42 TRP N N 364 125.066 125.066 124.143 0.923 17783 200 1 . 1 1 42 42 TRP HA H 364 4.226 4.226 4.324 -0.098 17783 201 1 . 1 1 42 42 TRP C C 364 176.509 176.509 177.637 -1.128 17783 202 1 . 1 1 42 42 TRP CA C 364 61.489 61.489 60.595 0.894 17783 203 1 . 1 1 42 42 TRP CB C 364 27.876 27.876 29.630 -1.754 17783 204 1 . 1 1 42 42 TRP H H 364 7.833 7.833 7.775 0.058 17783 205 1 . 1 1 43 43 ALA N N 365 120.030 120.030 121.248 -1.218 17783 206 1 . 1 1 43 43 ALA HA H 365 2.994 2.994 3.368 -0.374 17783 207 1 . 1 1 43 43 ALA C C 365 179.186 179.186 179.424 -0.238 17783 208 1 . 1 1 43 43 ALA CA C 365 55.001 55.001 55.173 -0.172 17783 209 1 . 1 1 43 43 ALA CB C 365 17.088 17.088 17.999 -0.911 17783 210 1 . 1 1 43 43 ALA H H 365 7.701 7.701 8.673 -0.972 17783 211 1 . 1 1 44 44 LYS N N 366 115.064 115.064 116.139 -1.075 17783 212 1 . 1 1 44 44 LYS HA H 366 4.033 4.033 4.007 0.026 17783 213 1 . 1 1 44 44 LYS C C 366 180.830 180.830 178.775 2.055 17783 214 1 . 1 1 44 44 LYS CA C 366 58.991 58.991 58.308 0.683 17783 215 1 . 1 1 44 44 LYS CB C 366 32.350 32.350 32.246 0.104 17783 216 1 . 1 1 44 44 LYS H H 366 7.562 7.562 7.784 -0.222 17783 217 1 . 1 1 45 45 LYS N N 367 123.180 123.180 120.290 2.890 17783 218 1 . 1 1 45 45 LYS HA H 367 3.907 3.907 4.026 -0.119 17783 219 1 . 1 1 45 45 LYS C C 367 178.319 178.319 178.390 -0.071 17783 220 1 . 1 1 45 45 LYS CA C 367 59.044 59.044 58.706 0.338 17783 221 1 . 1 1 45 45 LYS CB C 367 32.066 32.066 32.394 -0.328 17783 222 1 . 1 1 45 45 LYS H H 367 8.067 8.067 7.744 0.323 17783 223 1 . 1 1 46 46 GLU N N 368 114.882 114.882 115.362 -0.480 17783 224 1 . 1 1 46 46 GLU HA H 368 3.917 3.917 4.031 -0.114 17783 225 1 . 1 1 46 46 GLU C C 368 174.639 174.639 175.790 -1.151 17783 226 1 . 1 1 46 46 GLU CA C 368 55.016 55.016 56.788 -1.772 17783 227 1 . 1 1 46 46 GLU CB C 368 27.677 27.677 29.174 -1.497 17783 228 1 . 1 1 46 46 GLU H H 368 7.488 7.488 7.506 -0.018 17783 229 1 . 1 1 47 47 ASN N N 369 114.944 114.944 115.271 -0.327 17783 230 1 . 1 1 47 47 ASN HA H 369 4.272 4.272 4.243 0.029 17783 231 1 . 1 1 47 47 ASN C C 369 174.759 174.759 174.468 0.291 17783 232 1 . 1 1 47 47 ASN CA C 369 53.704 53.704 53.530 0.174 17783 233 1 . 1 1 47 47 ASN CB C 369 37.059 37.059 36.720 0.339 17783 234 1 . 1 1 47 47 ASN H H 369 7.772 7.772 7.512 0.260 17783 235 1 . 1 1 48 48 LEU N N 370 116.008 116.008 118.878 -2.870 17783 236 1 . 1 1 48 48 LEU HA H 370 4.120 4.120 3.930 0.190 17783 237 1 . 1 1 48 48 LEU C C 370 177.056 177.056 176.458 0.598 17783 238 1 . 1 1 48 48 LEU CA C 370 55.118 55.118 55.453 -0.335 17783 239 1 . 1 1 48 48 LEU CB C 370 41.917 41.917 40.962 0.955 17783 240 1 . 1 1 48 48 LEU H H 370 7.463 7.463 7.287 0.176 17783 241 1 . 1 1 49 49 LYS N N 371 120.012 120.012 123.413 -3.401 17783 242 1 . 1 1 49 49 LYS HA H 371 4.560 4.560 4.369 0.191 17783 243 1 . 1 1 49 49 LYS C C 371 176.481 176.481 176.545 -0.064 17783 244 1 . 1 1 49 49 LYS CA C 371 55.329 55.329 55.799 -0.470 17783 245 1 . 1 1 49 49 LYS CB C 371 34.555 34.555 33.234 1.321 17783 246 1 . 1 1 49 49 LYS H H 371 8.518 8.518 8.149 0.369 17783 247 1 . 1 1 50 50 ASN N N 372 117.610 117.610 119.606 -1.996 17783 248 1 . 1 1 50 50 ASN HA H 372 4.514 4.514 4.408 0.106 17783 249 1 . 1 1 50 50 ASN C C 372 173.445 173.445 173.471 -0.026 17783 250 1 . 1 1 50 50 ASN CA C 372 53.437 53.437 54.102 -0.665 17783 251 1 . 1 1 50 50 ASN CB C 372 37.932 37.932 37.997 -0.065 17783 252 1 . 1 1 50 50 ASN H H 372 8.734 8.734 8.778 -0.044 17783 253 1 . 1 1 51 51 TYR N N 373 117.151 117.151 117.053 0.098 17783 254 1 . 1 1 51 51 TYR HA H 373 5.395 5.395 5.115 0.280 17783 255 1 . 1 1 51 51 TYR C C 373 173.549 173.549 173.809 -0.260 17783 256 1 . 1 1 51 51 TYR CA C 373 55.782 55.782 56.054 -0.272 17783 257 1 . 1 1 51 51 TYR CB C 373 40.411 40.411 40.402 0.009 17783 258 1 . 1 1 51 51 TYR H H 373 7.570 7.570 7.708 -0.138 17783 259 1 . 1 1 52 52 VAL N N 374 120.887 120.887 121.495 -0.608 17783 260 1 . 1 1 52 52 VAL HA H 374 4.298 4.298 4.278 0.020 17783 261 1 . 1 1 52 52 VAL C C 374 174.289 174.289 174.846 -0.557 17783 262 1 . 1 1 52 52 VAL CA C 374 61.714 61.714 61.437 0.277 17783 263 1 . 1 1 52 52 VAL CB C 374 36.584 36.584 34.414 2.170 17783 264 1 . 1 1 52 52 VAL H H 374 9.140 9.140 8.677 0.463 17783 265 1 . 1 1 53 53 VAL N N 375 126.060 126.060 125.384 0.676 17783 266 1 . 1 1 53 53 VAL HA H 375 5.415 5.415 4.338 1.077 17783 267 1 . 1 1 53 53 VAL C C 375 175.803 175.803 175.726 0.077 17783 268 1 . 1 1 53 53 VAL CA C 375 60.656 60.656 62.222 -1.566 17783 269 1 . 1 1 53 53 VAL CB C 375 32.736 32.736 31.863 0.873 17783 270 1 . 1 1 53 53 VAL H H 375 8.600 8.600 8.326 0.274 17783 271 1 . 1 1 54 54 TYR N N 376 125.706 125.706 124.528 1.178 17783 272 1 . 1 1 54 54 TYR HA H 376 5.422 5.422 5.016 0.406 17783 273 1 . 1 1 54 54 TYR C C 376 172.139 172.139 173.547 -1.408 17783 274 1 . 1 1 54 54 TYR CA C 376 55.129 55.129 55.693 -0.564 17783 275 1 . 1 1 54 54 TYR CB C 376 41.657 41.657 40.356 1.301 17783 276 1 . 1 1 54 54 TYR H H 376 9.292 9.292 8.263 1.029 17783 277 1 . 1 1 55 55 GLU N N 377 122.063 122.063 119.778 2.285 17783 278 1 . 1 1 55 55 GLU HA H 377 4.714 4.714 3.971 0.743 17783 279 1 . 1 1 55 55 GLU C C 377 175.011 175.011 175.397 -0.386 17783 280 1 . 1 1 55 55 GLU CA C 377 55.143 55.143 55.280 -0.137 17783 281 1 . 1 1 55 55 GLU CB C 377 32.659 32.659 30.740 1.919 17783 282 1 . 1 1 55 55 GLU H H 377 8.758 8.758 8.584 0.174 17783 283 1 . 1 1 56 56 THR N N 378 122.855 122.855 115.415 7.440 17783 284 1 . 1 1 56 56 THR HA H 378 4.848 4.848 4.602 0.246 17783 285 1 . 1 1 56 56 THR C C 378 173.550 173.550 172.930 0.620 17783 286 1 . 1 1 56 56 THR CA C 378 58.732 58.732 60.631 -1.899 17783 287 1 . 1 1 56 56 THR CB C 378 70.181 70.181 70.443 -0.262 17783 288 1 . 1 1 56 56 THR H H 378 9.160 9.160 7.817 1.343 17783 289 1 . 1 1 57 57 THR N N 379 116.629 116.629 113.467 3.162 17783 290 1 . 1 1 57 57 THR HA H 379 5.145 5.145 4.633 0.512 17783 291 1 . 1 1 57 57 THR C C 379 173.973 173.973 173.315 0.658 17783 292 1 . 1 1 57 57 THR CA C 379 60.517 60.517 60.810 -0.293 17783 293 1 . 1 1 57 57 THR CB C 379 71.582 71.582 70.362 1.219 17783 294 1 . 1 1 57 57 THR H H 379 8.677 8.677 8.377 0.300 17783 295 1 . 1 1 58 58 ARG N N 380 124.546 124.546 125.356 -0.810 17783 296 1 . 1 1 58 58 ARG HA H 380 4.308 4.308 4.524 -0.216 17783 297 1 . 1 1 58 58 ARG C C 380 176.074 176.074 174.873 1.201 17783 298 1 . 1 1 58 58 ARG CA C 380 55.510 55.510 56.369 -0.859 17783 299 1 . 1 1 58 58 ARG CB C 380 32.473 32.473 31.876 0.597 17783 300 1 . 1 1 58 58 ARG H H 380 9.117 9.117 8.426 0.691 17783 301 1 . 1 1 59 59 ASN HA H 381 4.306 4.306 4.508 -0.202 17783 302 1 . 1 1 59 59 ASN C C 381 175.444 175.444 175.558 -0.114 17783 303 1 . 1 1 59 59 ASN CA C 381 54.237 54.237 53.415 0.822 17783 304 1 . 1 1 59 59 ASN CB C 381 37.213 37.213 37.654 -0.441 17783 305 1 . 1 1 60 60 GLY N N 382 103.015 103.015 105.712 -2.697 17783 306 1 . 1 1 60 60 GLY C C 382 173.488 173.488 173.715 -0.227 17783 307 1 . 1 1 60 60 GLY CA C 382 45.473 45.473 45.996 -0.523 17783 308 1 . 1 1 60 60 GLY H H 382 8.639 8.639 8.651 -0.012 17783 309 1 . 1 1 61 61 GLN N N 383 119.903 119.903 118.354 1.549 17783 310 1 . 1 1 61 61 GLN HA H 383 5.000 5.000 4.604 0.396 17783 311 1 . 1 1 61 61 GLN C C 383 172.730 172.730 173.536 -0.806 17783 312 1 . 1 1 61 61 GLN CA C 383 52.691 52.691 52.612 0.079 17783 313 1 . 1 1 61 61 GLN CB C 383 30.711 30.711 30.274 0.437 17783 314 1 . 1 1 61 61 GLN H H 383 7.697 7.697 7.656 0.041 17783 315 1 . 1 1 62 62 PRO HA H 384 4.614 4.614 4.428 0.186 17783 316 1 . 1 1 62 62 PRO C C 384 175.576 175.576 175.428 0.148 17783 317 1 . 1 1 62 62 PRO CA C 384 64.002 64.002 63.029 0.973 17783 318 1 . 1 1 62 62 PRO CB C 384 32.545 32.545 31.948 0.597 17783 319 1 . 1 1 63 63 TRP N N 385 126.621 126.621 124.396 2.225 17783 320 1 . 1 1 63 63 TRP HA H 385 4.511 4.511 4.793 -0.282 17783 321 1 . 1 1 63 63 TRP C C 385 172.096 172.096 173.321 -1.225 17783 322 1 . 1 1 63 63 TRP CA C 385 56.082 56.082 55.791 0.291 17783 323 1 . 1 1 63 63 TRP CB C 385 34.174 34.174 32.910 1.264 17783 324 1 . 1 1 63 63 TRP H H 385 8.063 8.063 7.907 0.156 17783 325 1 . 1 1 64 64 TYR N N 386 124.129 124.129 122.594 1.535 17783 326 1 . 1 1 64 64 TYR HA H 386 5.218 5.218 4.295 0.923 17783 327 1 . 1 1 64 64 TYR C C 386 173.544 173.544 173.998 -0.454 17783 328 1 . 1 1 64 64 TYR CA C 386 56.769 56.769 56.107 0.662 17783 329 1 . 1 1 64 64 TYR CB C 386 40.433 40.433 37.175 3.258 17783 330 1 . 1 1 64 64 TYR H H 386 7.954 7.954 7.673 0.281 17783 331 1 . 1 1 65 65 VAL N N 387 121.167 121.167 121.539 -0.372 17783 332 1 . 1 1 65 65 VAL HA H 387 3.863 3.863 4.242 -0.379 17783 333 1 . 1 1 65 65 VAL C C 387 172.675 172.675 174.644 -1.969 17783 334 1 . 1 1 65 65 VAL CA C 387 61.257 61.257 60.589 0.668 17783 335 1 . 1 1 65 65 VAL CB C 387 34.133 34.133 33.705 0.428 17783 336 1 . 1 1 65 65 VAL H H 387 8.409 8.409 7.196 1.213 17783 337 1 . 1 1 66 66 LEU N N 388 127.479 127.479 126.235 1.244 17783 338 1 . 1 1 66 66 LEU HA H 388 5.423 5.423 4.876 0.547 17783 339 1 . 1 1 66 66 LEU CA C 388 53.496 53.496 53.606 -0.110 17783 340 1 . 1 1 66 66 LEU CB C 388 44.755 44.755 43.952 0.803 17783 341 1 . 1 1 66 66 LEU H H 388 8.200 8.200 8.531 -0.331 17783 342 1 . 1 1 67 67 VAL N N 389 120.778 120.778 115.993 4.785 17783 343 1 . 1 1 67 67 VAL HA H 389 5.840 5.840 4.643 1.197 17783 344 1 . 1 1 67 67 VAL C C 389 174.934 174.934 174.948 -0.014 17783 345 1 . 1 1 67 67 VAL CA C 389 57.827 57.827 60.371 -2.544 17783 346 1 . 1 1 67 67 VAL CB C 389 33.693 33.693 34.667 -0.974 17783 347 1 . 1 1 67 67 VAL H H 389 9.314 9.314 8.362 0.952 17783 348 1 . 1 1 68 68 SER N N 390 113.588 113.588 119.786 -6.198 17783 349 1 . 1 1 68 68 SER HA H 390 4.850 4.850 4.812 0.038 17783 350 1 . 1 1 68 68 SER C C 390 174.691 174.691 175.430 -0.739 17783 351 1 . 1 1 68 68 SER CA C 390 58.213 58.213 57.357 0.856 17783 352 1 . 1 1 68 68 SER CB C 390 66.007 66.007 63.271 2.736 17783 353 1 . 1 1 68 68 SER H H 390 8.803 8.803 8.532 0.271 17783 354 1 . 1 1 69 69 GLY N N 391 115.161 115.161 115.013 0.148 17783 355 1 . 1 1 69 69 GLY C C 391 172.208 172.208 172.911 -0.703 17783 356 1 . 1 1 69 69 GLY CA C 391 44.325 44.325 45.770 -1.445 17783 357 1 . 1 1 69 69 GLY H H 391 8.436 8.436 8.310 0.126 17783 358 1 . 1 1 70 70 VAL N N 392 117.033 117.033 118.947 -1.914 17783 359 1 . 1 1 70 70 VAL HA H 392 4.480 4.480 4.249 0.231 17783 360 1 . 1 1 70 70 VAL C C 392 174.635 174.635 174.186 0.449 17783 361 1 . 1 1 70 70 VAL CA C 392 62.203 62.203 60.883 1.320 17783 362 1 . 1 1 70 70 VAL CB C 392 34.237 34.237 34.046 0.191 17783 363 1 . 1 1 70 70 VAL H H 392 7.188 7.188 7.638 -0.450 17783 364 1 . 1 1 71 71 TYR N N 393 124.867 124.867 124.238 0.629 17783 365 1 . 1 1 71 71 TYR HA H 393 4.801 4.801 4.712 0.089 17783 366 1 . 1 1 71 71 TYR C C 393 175.550 175.550 176.382 -0.832 17783 367 1 . 1 1 71 71 TYR CA C 393 56.285 56.285 57.452 -1.167 17783 368 1 . 1 1 71 71 TYR CB C 393 42.543 42.543 39.735 2.808 17783 369 1 . 1 1 71 71 TYR H H 393 9.517 9.517 8.262 1.255 17783 370 1 . 1 1 72 72 ALA N N 394 124.217 124.217 126.279 -2.062 17783 371 1 . 1 1 72 72 ALA HA H 394 2.771 2.771 3.909 -1.138 17783 372 1 . 1 1 72 72 ALA C C 394 175.911 175.911 177.300 -1.389 17783 373 1 . 1 1 72 72 ALA CA C 394 53.257 53.257 54.207 -0.950 17783 374 1 . 1 1 72 72 ALA CB C 394 19.021 19.021 19.061 -0.040 17783 375 1 . 1 1 72 72 ALA H H 394 8.984 8.984 8.730 0.254 17783 376 1 . 1 1 73 73 SER N N 395 106.325 106.325 110.340 -4.015 17783 377 1 . 1 1 73 73 SER HA H 395 4.769 4.769 4.721 0.048 17783 378 1 . 1 1 73 73 SER C C 395 173.686 173.686 174.521 -0.835 17783 379 1 . 1 1 73 73 SER CA C 395 56.031 56.031 56.974 -0.943 17783 380 1 . 1 1 73 73 SER CB C 395 66.773 66.773 65.108 1.665 17783 381 1 . 1 1 73 73 SER H H 395 7.251 7.251 7.682 -0.431 17783 382 1 . 1 1 74 74 LYS N N 396 123.531 123.531 121.689 1.842 17783 383 1 . 1 1 74 74 LYS HA H 396 2.894 2.894 3.731 -0.837 17783 384 1 . 1 1 74 74 LYS C C 396 178.040 178.040 177.758 0.282 17783 385 1 . 1 1 74 74 LYS CA C 396 59.543 59.543 58.320 1.223 17783 386 1 . 1 1 74 74 LYS CB C 396 31.636 31.636 31.830 -0.194 17783 387 1 . 1 1 74 74 LYS H H 396 8.742 8.742 8.500 0.242 17783 388 1 . 1 1 75 75 GLU N N 397 118.740 118.740 119.008 -0.268 17783 389 1 . 1 1 75 75 GLU HA H 397 3.814 3.814 3.949 -0.135 17783 390 1 . 1 1 75 75 GLU C C 397 179.136 179.136 178.577 0.559 17783 391 1 . 1 1 75 75 GLU CA C 397 60.077 60.077 59.293 0.784 17783 392 1 . 1 1 75 75 GLU CB C 397 28.748 28.748 29.056 -0.308 17783 393 1 . 1 1 75 75 GLU H H 397 8.529 8.529 8.152 0.377 17783 394 1 . 1 1 76 76 GLU N N 398 119.987 119.987 119.068 0.919 17783 395 1 . 1 1 76 76 GLU HA H 398 3.835 3.835 4.100 -0.265 17783 396 1 . 1 1 76 76 GLU C C 398 178.564 178.564 178.115 0.449 17783 397 1 . 1 1 76 76 GLU CA C 398 59.362 59.362 58.233 1.129 17783 398 1 . 1 1 76 76 GLU CB C 398 30.431 30.431 29.206 1.225 17783 399 1 . 1 1 76 76 GLU H H 398 7.804 7.804 8.240 -0.436 17783 400 1 . 1 1 77 77 ALA N N 399 122.630 122.630 121.848 0.782 17783 401 1 . 1 1 77 77 ALA HA H 399 2.588 2.588 3.201 -0.613 17783 402 1 . 1 1 77 77 ALA C C 399 177.764 177.764 178.805 -1.041 17783 403 1 . 1 1 77 77 ALA CA C 399 54.361 54.361 54.301 0.060 17783 404 1 . 1 1 77 77 ALA CB C 399 17.665 17.665 18.114 -0.449 17783 405 1 . 1 1 77 77 ALA H H 399 7.294 7.294 7.475 -0.181 17783 406 1 . 1 1 78 78 LYS N N 400 115.403 115.403 118.465 -3.062 17783 407 1 . 1 1 78 78 LYS HA H 400 3.770 3.770 3.925 -0.155 17783 408 1 . 1 1 78 78 LYS C C 400 180.700 180.700 178.688 2.012 17783 409 1 . 1 1 78 78 LYS CA C 400 59.542 59.542 59.044 0.498 17783 410 1 . 1 1 78 78 LYS CB C 400 31.833 31.833 32.216 -0.383 17783 411 1 . 1 1 78 78 LYS H H 400 8.001 8.001 7.751 0.250 17783 412 1 . 1 1 79 79 LYS N N 401 119.756 119.756 118.744 1.012 17783 413 1 . 1 1 79 79 LYS HA H 401 3.969 3.969 4.078 -0.109 17783 414 1 . 1 1 79 79 LYS C C 401 178.347 178.347 178.421 -0.074 17783 415 1 . 1 1 79 79 LYS CA C 401 58.976 58.976 58.477 0.499 17783 416 1 . 1 1 79 79 LYS CB C 401 32.298 32.298 32.181 0.117 17783 417 1 . 1 1 79 79 LYS H H 401 7.788 7.788 7.548 0.240 17783 418 1 . 1 1 80 80 ALA N N 402 120.725 120.725 122.361 -1.636 17783 419 1 . 1 1 80 80 ALA HA H 402 4.143 4.143 4.050 0.093 17783 420 1 . 1 1 80 80 ALA C C 402 180.118 180.118 179.333 0.785 17783 421 1 . 1 1 80 80 ALA CA C 402 53.772 53.772 54.792 -1.020 17783 422 1 . 1 1 80 80 ALA CB C 402 18.469 18.469 17.865 0.604 17783 423 1 . 1 1 80 80 ALA H H 402 7.334 7.334 7.624 -0.290 17783 424 1 . 1 1 81 81 VAL N N 403 120.431 120.431 118.198 2.233 17783 425 1 . 1 1 81 81 VAL HA H 403 3.362 3.362 3.642 -0.280 17783 426 1 . 1 1 81 81 VAL C C 403 177.205 177.205 177.734 -0.529 17783 427 1 . 1 1 81 81 VAL CA C 403 66.728 66.728 65.698 1.030 17783 428 1 . 1 1 81 81 VAL CB C 403 31.733 31.733 31.396 0.337 17783 429 1 . 1 1 81 81 VAL H H 403 7.480 7.480 7.676 -0.196 17783 430 1 . 1 1 82 82 SER N N 404 110.126 110.126 112.988 -2.862 17783 431 1 . 1 1 82 82 SER HA H 404 4.143 4.143 4.208 -0.065 17783 432 1 . 1 1 82 82 SER C C 404 174.813 174.813 175.710 -0.897 17783 433 1 . 1 1 82 82 SER CA C 404 60.751 60.751 60.875 -0.124 17783 434 1 . 1 1 82 82 SER CB C 404 63.287 63.287 63.072 0.215 17783 435 1 . 1 1 82 82 SER H H 404 7.326 7.326 8.048 -0.722 17783 436 1 . 1 1 83 83 THR N N 405 110.438 110.438 114.308 -3.870 17783 437 1 . 1 1 83 83 THR HA H 405 4.461 4.461 4.137 0.324 17783 438 1 . 1 1 83 83 THR C C 405 175.081 175.081 175.456 -0.375 17783 439 1 . 1 1 83 83 THR CA C 405 61.761 61.761 63.797 -2.036 17783 440 1 . 1 1 83 83 THR CB C 405 69.795 69.795 69.146 0.649 17783 441 1 . 1 1 83 83 THR H H 405 7.634 7.634 7.706 -0.072 17783 442 1 . 1 1 84 84 LEU N N 406 123.244 123.244 123.241 0.003 17783 443 1 . 1 1 84 84 LEU HA H 406 4.640 4.640 4.334 0.306 17783 444 1 . 1 1 84 84 LEU C C 406 174.599 174.599 175.630 -1.031 17783 445 1 . 1 1 84 84 LEU CA C 406 53.295 53.295 53.792 -0.497 17783 446 1 . 1 1 84 84 LEU CB C 406 40.709 40.709 41.252 -0.543 17783 447 1 . 1 1 84 84 LEU H H 406 7.478 7.478 7.573 -0.095 17783 448 1 . 1 1 85 85 PRO HA H 407 4.493 4.493 4.518 -0.025 17783 449 1 . 1 1 85 85 PRO C C 407 177.743 177.743 177.331 0.412 17783 450 1 . 1 1 85 85 PRO CA C 407 63.144 63.144 62.311 0.833 17783 451 1 . 1 1 85 85 PRO CB C 407 32.921 32.921 32.492 0.429 17783 452 1 . 1 1 86 86 ALA N N 408 128.809 128.809 122.520 6.289 17783 453 1 . 1 1 86 86 ALA HA H 408 3.946 3.946 4.028 -0.082 17783 454 1 . 1 1 86 86 ALA C C 408 180.517 180.517 179.351 1.166 17783 455 1 . 1 1 86 86 ALA CA C 408 56.505 56.505 55.609 0.896 17783 456 1 . 1 1 86 86 ALA CB C 408 18.345 18.345 18.299 0.046 17783 457 1 . 1 1 86 86 ALA H H 408 9.168 9.168 8.595 0.573 17783 458 1 . 1 1 87 87 ASP N N 409 116.520 116.520 118.656 -2.136 17783 459 1 . 1 1 87 87 ASP HA H 409 4.462 4.462 4.414 0.048 17783 460 1 . 1 1 87 87 ASP C C 409 178.081 178.081 178.058 0.023 17783 461 1 . 1 1 87 87 ASP CA C 409 56.935 56.935 57.319 -0.384 17783 462 1 . 1 1 87 87 ASP CB C 409 40.359 40.359 40.101 0.258 17783 463 1 . 1 1 87 87 ASP H H 409 9.359 9.359 8.724 0.635 17783 464 1 . 1 1 88 88 VAL N N 410 117.452 117.452 117.625 -0.173 17783 465 1 . 1 1 88 88 VAL HA H 410 4.089 4.089 4.102 -0.013 17783 466 1 . 1 1 88 88 VAL C C 410 178.675 178.675 178.286 0.389 17783 467 1 . 1 1 88 88 VAL CA C 410 64.875 64.875 65.326 -0.451 17783 468 1 . 1 1 88 88 VAL CB C 410 31.285 31.285 32.088 -0.803 17783 469 1 . 1 1 88 88 VAL H H 410 7.355 7.355 7.724 -0.369 17783 470 1 . 1 1 89 89 GLN N N 411 119.387 119.387 119.957 -0.570 17783 471 1 . 1 1 89 89 GLN HA H 411 3.644 3.644 4.037 -0.393 17783 472 1 . 1 1 89 89 GLN C C 411 179.168 179.168 178.274 0.894 17783 473 1 . 1 1 89 89 GLN CA C 411 60.712 60.712 58.507 2.205 17783 474 1 . 1 1 89 89 GLN CB C 411 28.510 28.510 28.563 -0.053 17783 475 1 . 1 1 89 89 GLN H H 411 8.271 8.271 8.405 -0.134 17783 476 1 . 1 1 90 90 ALA N N 412 118.634 118.634 122.722 -4.088 17783 477 1 . 1 1 90 90 ALA HA H 412 4.265 4.265 4.186 0.079 17783 478 1 . 1 1 90 90 ALA C C 412 177.949 177.949 178.478 -0.529 17783 479 1 . 1 1 90 90 ALA CA C 412 53.941 53.941 54.403 -0.462 17783 480 1 . 1 1 90 90 ALA CB C 412 18.327 18.327 18.466 -0.139 17783 481 1 . 1 1 90 90 ALA H H 412 7.794 7.794 8.524 -0.730 17783 482 1 . 1 1 91 91 LYS N N 413 115.842 115.842 116.808 -0.966 17783 483 1 . 1 1 91 91 LYS HA H 413 4.332 4.332 4.218 0.114 17783 484 1 . 1 1 91 91 LYS C C 413 175.829 175.829 176.112 -0.283 17783 485 1 . 1 1 91 91 LYS CA C 413 55.370 55.370 55.366 0.004 17783 486 1 . 1 1 91 91 LYS CB C 413 31.484 31.484 31.915 -0.431 17783 487 1 . 1 1 91 91 LYS H H 413 7.398 7.398 7.603 -0.205 17783 488 1 . 1 1 92 92 ASN N N 414 113.776 113.776 117.576 -3.800 17783 489 1 . 1 1 92 92 ASN HA H 414 4.536 4.536 4.542 -0.006 17783 490 1 . 1 1 92 92 ASN C C 414 171.075 171.075 173.352 -2.277 17783 491 1 . 1 1 92 92 ASN CA C 414 54.063 54.063 53.293 0.770 17783 492 1 . 1 1 92 92 ASN CB C 414 37.081 37.081 37.071 0.010 17783 493 1 . 1 1 92 92 ASN H H 414 8.178 8.178 7.920 0.258 17783 494 1 . 1 1 93 93 PRO HA H 415 5.002 5.002 4.536 0.466 17783 495 1 . 1 1 93 93 PRO C C 415 175.682 175.682 176.226 -0.544 17783 496 1 . 1 1 93 93 PRO CA C 415 63.490 63.490 63.557 -0.067 17783 497 1 . 1 1 93 93 PRO CB C 415 33.585 33.585 32.039 1.546 17783 498 1 . 1 1 94 94 TRP N N 416 117.925 117.925 121.335 -3.410 17783 499 1 . 1 1 94 94 TRP HA H 416 5.017 5.017 4.848 0.169 17783 500 1 . 1 1 94 94 TRP C C 416 173.607 173.607 174.676 -1.069 17783 501 1 . 1 1 94 94 TRP CA C 416 53.995 53.995 54.706 -0.711 17783 502 1 . 1 1 94 94 TRP CB C 416 31.507 31.507 29.879 1.628 17783 503 1 . 1 1 94 94 TRP H H 416 7.921 7.921 8.099 -0.178 17783 504 1 . 1 1 95 95 ALA N N 417 123.924 123.924 125.662 -1.738 17783 505 1 . 1 1 95 95 ALA HA H 417 4.755 4.755 4.180 0.575 17783 506 1 . 1 1 95 95 ALA C C 417 174.171 174.171 176.464 -2.293 17783 507 1 . 1 1 95 95 ALA CA C 417 51.637 51.637 52.315 -0.678 17783 508 1 . 1 1 95 95 ALA CB C 417 19.468 19.468 19.189 0.279 17783 509 1 . 1 1 95 95 ALA H H 417 8.878 8.878 8.393 0.485 17783 510 1 . 1 1 96 96 LYS N N 418 129.441 129.441 123.313 6.128 17783 511 1 . 1 1 96 96 LYS HA H 418 5.021 5.021 4.362 0.659 17783 512 1 . 1 1 96 96 LYS C C 418 173.451 173.451 173.772 -0.321 17783 513 1 . 1 1 96 96 LYS CA C 418 52.564 52.564 52.942 -0.378 17783 514 1 . 1 1 96 96 LYS CB C 418 36.983 36.983 32.779 4.204 17783 515 1 . 1 1 96 96 LYS H H 418 9.235 9.235 8.092 1.143 17783 516 1 . 1 1 97 97 PRO HA H 419 3.764 3.764 4.024 -0.260 17783 517 1 . 1 1 97 97 PRO C C 419 178.893 178.893 177.668 1.225 17783 518 1 . 1 1 97 97 PRO CA C 419 62.895 62.895 62.930 -0.035 17783 519 1 . 1 1 97 97 PRO CB C 419 32.720 32.720 32.118 0.602 17783 520 1 . 1 1 98 98 LEU N N 420 126.746 126.746 122.988 3.758 17783 521 1 . 1 1 98 98 LEU HA H 420 3.803 3.803 4.021 -0.218 17783 522 1 . 1 1 98 98 LEU C C 420 179.040 179.040 178.365 0.675 17783 523 1 . 1 1 98 98 LEU CA C 420 57.368 57.368 56.849 0.519 17783 524 1 . 1 1 98 98 LEU CB C 420 39.941 39.941 41.553 -1.612 17783 525 1 . 1 1 98 98 LEU H H 420 9.179 9.179 8.311 0.868 17783 526 1 . 1 1 99 99 ARG N N 421 118.262 118.262 117.843 0.419 17783 527 1 . 1 1 99 99 ARG HA H 421 4.059 4.059 3.989 0.070 17783 528 1 . 1 1 99 99 ARG C C 421 178.140 178.140 177.395 0.745 17783 529 1 . 1 1 99 99 ARG CA C 421 59.093 59.093 58.495 0.598 17783 530 1 . 1 1 99 99 ARG CB C 421 29.956 29.956 29.603 0.353 17783 531 1 . 1 1 99 99 ARG H H 421 8.014 8.014 8.191 -0.177 17783 532 1 . 1 1 100 100 GLN N N 422 116.539 116.539 117.438 -0.899 17783 533 1 . 1 1 100 100 GLN HA H 422 4.210 4.210 4.261 -0.051 17783 534 1 . 1 1 100 100 GLN C C 422 177.594 177.594 177.992 -0.398 17783 535 1 . 1 1 100 100 GLN CA C 422 57.733 57.733 57.951 -0.218 17783 536 1 . 1 1 100 100 GLN CB C 422 29.178 29.178 29.368 -0.190 17783 537 1 . 1 1 100 100 GLN H H 422 7.258 7.258 7.804 -0.546 17783 538 1 . 1 1 101 101 VAL N N 423 119.665 119.665 120.510 -0.845 17783 539 1 . 1 1 101 101 VAL HA H 423 3.548 3.548 3.726 -0.178 17783 540 1 . 1 1 101 101 VAL C C 423 177.040 177.040 177.857 -0.817 17783 541 1 . 1 1 101 101 VAL CA C 423 65.447 65.447 65.514 -0.067 17783 542 1 . 1 1 101 101 VAL CB C 423 32.553 32.553 31.055 1.498 17783 543 1 . 1 1 101 101 VAL H H 423 7.090 7.090 8.101 -1.011 17783 544 1 . 1 1 102 102 GLN N N 424 115.032 115.032 117.941 -2.909 17783 545 1 . 1 1 102 102 GLN HA H 424 3.565 3.565 3.985 -0.420 17783 546 1 . 1 1 102 102 GLN C C 424 177.994 177.994 177.166 0.828 17783 547 1 . 1 1 102 102 GLN CA C 424 58.883 58.883 57.950 0.933 17783 548 1 . 1 1 102 102 GLN CB C 424 27.060 27.060 27.890 -0.830 17783 549 1 . 1 1 102 102 GLN H H 424 8.553 8.553 7.902 0.651 17783 550 1 . 1 1 103 103 ALA N N 425 120.742 120.742 122.667 -1.925 17783 551 1 . 1 1 103 103 ALA HA H 425 4.158 4.158 4.055 0.103 17783 552 1 . 1 1 103 103 ALA C C 425 178.545 178.545 178.829 -0.284 17783 553 1 . 1 1 103 103 ALA CA C 425 54.275 54.275 54.679 -0.404 17783 554 1 . 1 1 103 103 ALA CB C 425 18.322 18.322 18.732 -0.410 17783 555 1 . 1 1 103 103 ALA H H 425 7.366 7.366 8.068 -0.702 17783 556 1 . 1 1 104 104 ASP N N 426 117.066 117.066 118.586 -1.520 17783 557 1 . 1 1 104 104 ASP HA H 426 4.708 4.708 4.511 0.197 17783 558 1 . 1 1 104 104 ASP C C 426 176.876 176.876 177.283 -0.407 17783 559 1 . 1 1 104 104 ASP CA C 426 55.223 55.223 55.712 -0.489 17783 560 1 . 1 1 104 104 ASP CB C 426 42.500 42.500 41.110 1.390 17783 561 1 . 1 1 104 104 ASP H H 426 7.628 7.628 7.992 -0.364 17783 562 1 . 1 1 105 105 LEU N N 427 119.853 119.853 120.504 -0.651 17783 563 1 . 1 1 105 105 LEU HA H 427 4.299 4.299 4.277 0.022 17783 564 1 . 1 1 105 105 LEU C C 427 176.118 176.118 175.983 0.135 17783 565 1 . 1 1 105 105 LEU CA C 427 54.986 54.986 55.112 -0.126 17783 566 1 . 1 1 105 105 LEU CB C 427 42.078 42.078 41.947 0.131 17783 567 1 . 1 1 105 105 LEU H H 427 7.242 7.242 7.656 -0.414 17783 stop_ save_