data_6173_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6173
_Entry.PDB_ID 1SQR
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 ARG HA H 2 5.159 4.684 0.475 1
1 8 . 1 1 1 A 2 2 ARG C C 2 175.500 175.388 0.112 1
1 9 . 1 1 1 A 2 2 ARG CA C 2 55.183 55.355 -0.172 1
1 10 . 1 1 1 A 2 2 ARG CB C 2 32.737 32.287 0.450 1
1 13 . 1 1 1 A 3 3 ILE H H 3 8.800 8.446 0.354 1
1 14 . 1 1 1 A 3 3 ILE HA H 3 4.674 4.814 -0.140 1
1 24 . 1 1 1 A 3 3 ILE C C 3 175.000 174.436 0.564 1
1 25 . 1 1 1 A 3 3 ILE CA C 3 60.050 59.649 0.401 1
1 26 . 1 1 1 A 3 3 ILE CB C 3 41.249 42.586 -1.337 1
1 30 . 1 1 1 A 3 3 ILE N N 3 119.700 120.461 -0.761 1
1 31 . 1 1 1 A 4 4 LYS H H 4 8.864 8.926 -0.062 1
1 32 . 1 1 1 A 4 4 LYS HA H 4 5.180 5.527 -0.347 1
1 41 . 1 1 1 A 4 4 LYS C C 4 176.800 175.185 1.615 1
1 42 . 1 1 1 A 4 4 LYS CA C 4 55.798 54.435 1.363 1
1 43 . 1 1 1 A 4 4 LYS CB C 4 35.471 36.845 -1.374 1
1 47 . 1 1 1 A 4 4 LYS N N 4 123.785 120.932 2.853 1
1 48 . 1 1 1 A 5 5 GLY H H 5 8.662 8.398 0.264 1
1 49 . 1 1 1 A 5 5 GLY HA2 H 5 3.122 4.300 -1.178 1
1 50 . 1 1 1 A 5 5 GLY HA3 H 5 5.139 4.316 0.823 1
1 51 . 1 1 1 A 5 5 GLY C C 5 170.800 171.474 -0.674 1
1 52 . 1 1 1 A 5 5 GLY CA C 5 44.967 45.730 -0.763 1
1 53 . 1 1 1 A 5 5 GLY N N 5 107.023 106.784 0.239 1
1 54 . 1 1 1 A 6 6 VAL H H 6 8.168 8.431 -0.263 1
1 55 . 1 1 1 A 6 6 VAL HA H 6 4.936 4.321 0.615 1
1 63 . 1 1 1 A 6 6 VAL C C 6 175.100 175.143 -0.043 1
1 64 . 1 1 1 A 6 6 VAL CA C 6 60.066 60.705 -0.639 1
1 65 . 1 1 1 A 6 6 VAL CB C 6 35.501 34.925 0.576 1
1 68 . 1 1 1 A 6 6 VAL N N 6 118.930 119.486 -0.556 1
1 69 . 1 1 1 A 7 7 VAL H H 7 8.663 8.643 0.020 1
1 70 . 1 1 1 A 7 7 VAL HA H 7 3.771 4.003 -0.232 1
1 78 . 1 1 1 A 7 7 VAL C C 7 176.020 175.464 0.556 1
1 79 . 1 1 1 A 7 7 VAL CA C 7 63.861 63.258 0.603 1
1 80 . 1 1 1 A 7 7 VAL CB C 7 31.549 31.724 -0.175 1
1 83 . 1 1 1 A 7 7 VAL N N 7 126.733 126.920 -0.187 1
1 84 . 1 1 1 A 8 8 LEU H H 8 9.077 8.678 0.399 1
1 85 . 1 1 1 A 8 8 LEU HA H 8 4.396 4.326 0.070 1
1 95 . 1 1 1 A 8 8 LEU C C 8 177.000 176.647 0.353 1
1 96 . 1 1 1 A 8 8 LEU CA C 8 55.871 55.978 -0.107 1
1 97 . 1 1 1 A 8 8 LEU CB C 8 43.337 42.778 0.559 1
1 101 . 1 1 1 A 8 8 LEU N N 8 128.947 127.349 1.598 1
1 102 . 1 1 1 A 9 9 SER H H 9 7.409 7.576 -0.167 1
1 103 . 1 1 1 A 9 9 SER HA H 9 4.347 4.680 -0.333 1
1 106 . 1 1 1 A 9 9 SER C C 9 172.900 171.817 1.083 1
1 107 . 1 1 1 A 9 9 SER CA C 9 57.866 57.531 0.335 1
1 108 . 1 1 1 A 9 9 SER CB C 9 64.173 65.561 -1.388 1
1 109 . 1 1 1 A 9 9 SER N N 9 108.469 109.677 -1.208 1
1 110 . 1 1 1 A 10 10 TYR H H 10 8.464 8.923 -0.459 1
1 111 . 1 1 1 A 10 10 TYR HA H 10 5.064 5.191 -0.127 1
1 114 . 1 1 1 A 10 10 TYR C C 10 175.400 174.057 1.343 1
1 115 . 1 1 1 A 10 10 TYR CA C 10 57.258 56.584 0.674 1
1 116 . 1 1 1 A 10 10 TYR CB C 10 40.325 40.680 -0.355 1
1 117 . 1 1 1 A 10 10 TYR N N 10 121.190 129.062 -7.872 1
1 118 . 1 1 1 A 11 11 ARG H H 11 8.545 8.501 0.044 1
1 119 . 1 1 1 A 11 11 ARG HA H 11 4.441 4.408 0.033 1
1 126 . 1 1 1 A 11 11 ARG C C 11 174.800 175.914 -1.114 1
1 127 . 1 1 1 A 11 11 ARG CA C 11 55.308 55.501 -0.193 1
1 128 . 1 1 1 A 11 11 ARG CB C 11 31.551 30.948 0.603 1
1 131 . 1 1 1 A 11 11 ARG N N 11 124.044 129.291 -5.247 1
1 132 . 1 1 1 A 12 12 ARG H H 12 8.562 8.267 0.295 1
1 133 . 1 1 1 A 12 12 ARG HA H 12 4.577 4.298 0.279 1
1 140 . 1 1 1 A 12 12 ARG C C 12 176.100 175.745 0.355 1
1 141 . 1 1 1 A 12 12 ARG CA C 12 55.803 55.294 0.509 1
1 142 . 1 1 1 A 12 12 ARG CB C 12 31.265 29.116 2.149 1
1 145 . 1 1 1 A 12 12 ARG N N 12 124.990 123.756 1.234 1
1 146 . 1 1 1 A 13 13 SER H H 13 8.485 8.077 0.408 1
1 147 . 1 1 1 A 13 13 SER HA H 13 4.542 4.160 0.382 1
1 150 . 1 1 1 A 13 13 SER C C 13 175.000 175.244 -0.244 1
1 151 . 1 1 1 A 13 13 SER CA C 13 57.790 58.896 -1.106 1
1 152 . 1 1 1 A 13 13 SER CB C 13 64.666 64.003 0.663 1
1 153 . 1 1 1 A 13 13 SER N N 13 118.058 116.820 1.238 1
1 154 . 1 1 1 A 14 14 LYS H H 14 8.663 8.746 -0.083 1
1 155 . 1 1 1 A 14 14 LYS HA H 14 4.178 3.986 0.192 1
1 164 . 1 1 1 A 14 14 LYS C C 14 177.400 176.672 0.728 1
1 165 . 1 1 1 A 14 14 LYS CA C 14 57.997 60.092 -2.095 1
1 166 . 1 1 1 A 14 14 LYS CB C 14 32.686 32.654 0.032 1
1 170 . 1 1 1 A 14 14 LYS N N 14 123.187 128.059 -4.872 1
1 171 . 1 1 1 A 15 15 GLU H H 15 8.525 8.099 0.426 1
1 172 . 1 1 1 A 15 15 GLU HA H 15 4.217 4.377 -0.160 1
1 177 . 1 1 1 A 15 15 GLU C C 15 176.300 175.499 0.801 1
1 178 . 1 1 1 A 15 15 GLU CA C 15 57.504 55.185 2.319 1
1 179 . 1 1 1 A 15 15 GLU CB C 15 29.654 29.991 -0.337 1
1 181 . 1 1 1 A 15 15 GLU N N 15 118.364 117.814 0.550 1
1 182 . 1 1 1 A 16 16 ASN H H 16 7.985 8.557 -0.572 1
1 183 . 1 1 1 A 16 16 ASN HA H 16 4.690 5.143 -0.453 1
1 188 . 1 1 1 A 16 16 ASN C C 16 175.100 174.274 0.826 1
1 189 . 1 1 1 A 16 16 ASN CA C 16 53.363 53.178 0.185 1
1 190 . 1 1 1 A 16 16 ASN CB C 16 39.022 39.404 -0.382 1
1 191 . 1 1 1 A 16 16 ASN N N 16 117.467 118.572 -1.105 1
1 193 . 1 1 1 A 17 17 GLN H H 17 8.384 8.791 -0.407 1
1 194 . 1 1 1 A 17 17 GLN HA H 17 4.256 4.435 -0.179 1
1 201 . 1 1 1 A 17 17 GLN C C 17 175.800 175.652 0.148 1
1 202 . 1 1 1 A 17 17 GLN CA C 17 56.678 55.034 1.644 1
1 203 . 1 1 1 A 17 17 GLN CB C 17 29.071 29.727 -0.656 1
1 205 . 1 1 1 A 17 17 GLN N N 17 119.788 122.445 -2.657 1
1 207 . 1 1 1 A 18 18 HIS H H 18 8.209 7.830 0.379 1
1 208 . 1 1 1 A 18 18 HIS HA H 18 4.683 4.751 -0.068 1
1 211 . 1 1 1 A 18 18 HIS C C 18 175.080 175.033 0.047 1
1 212 . 1 1 1 A 18 18 HIS CA C 18 55.839 55.744 0.095 1
1 213 . 1 1 1 A 18 18 HIS CB C 18 30.460 31.659 -1.199 1
1 214 . 1 1 1 A 18 18 HIS N N 18 117.984 117.463 0.521 1
1 215 . 1 1 1 A 19 19 ASN H H 19 8.430 8.201 0.229 1
1 216 . 1 1 1 A 19 19 ASN HA H 19 4.813 4.775 0.038 1
1 221 . 1 1 1 A 19 19 ASN C C 19 174.300 174.091 0.209 1
1 222 . 1 1 1 A 19 19 ASN CA C 19 53.172 54.598 -1.426 1
1 223 . 1 1 1 A 19 19 ASN CB C 19 38.503 38.146 0.357 1
1 224 . 1 1 1 A 19 19 ASN N N 19 122.300 117.809 4.491 1
1 226 . 1 1 1 A 20 20 ASN H H 20 8.353 8.695 -0.342 1
1 227 . 1 1 1 A 20 20 ASN HA H 20 4.828 4.979 -0.151 1
1 232 . 1 1 1 A 20 20 ASN C C 20 174.000 174.898 -0.898 1
1 233 . 1 1 1 A 20 20 ASN CA C 20 53.292 53.573 -0.281 1
1 234 . 1 1 1 A 20 20 ASN CB C 20 38.896 38.877 0.019 1
1 235 . 1 1 1 A 20 20 ASN N N 20 117.387 120.478 -3.091 1
1 237 . 1 1 1 A 21 21 VAL H H 21 8.285 8.383 -0.098 1
1 238 . 1 1 1 A 21 21 VAL HA H 21 5.090 4.940 0.150 1
1 246 . 1 1 1 A 21 21 VAL C C 21 174.900 175.001 -0.101 1
1 247 . 1 1 1 A 21 21 VAL CA C 21 61.409 60.844 0.565 1
1 248 . 1 1 1 A 21 21 VAL CB C 21 33.979 34.654 -0.675 1
1 251 . 1 1 1 A 21 21 VAL N N 21 120.718 123.050 -2.332 1
1 252 . 1 1 1 A 22 22 MET H H 22 9.083 8.760 0.323 1
1 253 . 1 1 1 A 22 22 MET HA H 22 5.073 5.135 -0.062 1
1 258 . 1 1 1 A 22 22 MET C C 22 174.600 174.218 0.382 1
1 259 . 1 1 1 A 22 22 MET CA C 22 53.096 54.682 -1.586 1
1 260 . 1 1 1 A 22 22 MET CB C 22 36.612 35.969 0.643 1
1 262 . 1 1 1 A 22 22 MET N N 22 123.693 125.403 -1.710 1
1 263 . 1 1 1 A 23 23 ILE H H 23 8.761 8.894 -0.133 1
1 264 . 1 1 1 A 23 23 ILE HA H 23 4.738 4.912 -0.174 1
1 274 . 1 1 1 A 23 23 ILE C C 23 175.500 175.338 0.162 1
1 275 . 1 1 1 A 23 23 ILE CA C 23 59.230 60.124 -0.894 1
1 276 . 1 1 1 A 23 23 ILE CB C 23 36.022 39.747 -3.725 1
1 280 . 1 1 1 A 23 23 ILE N N 23 123.898 126.745 -2.847 1
1 281 . 1 1 1 A 24 24 ILE H H 24 9.048 8.899 0.149 1
1 282 . 1 1 1 A 24 24 ILE HA H 24 4.881 4.961 -0.080 1
1 292 . 1 1 1 A 24 24 ILE C C 24 174.200 175.236 -1.036 1
1 293 . 1 1 1 A 24 24 ILE CA C 24 58.256 59.612 -1.356 1
1 294 . 1 1 1 A 24 24 ILE CB C 24 42.799 41.368 1.431 1
1 298 . 1 1 1 A 24 24 ILE N N 24 126.877 127.798 -0.921 1
1 299 . 1 1 1 A 25 25 LYS H H 25 9.205 8.464 0.741 1
1 300 . 1 1 1 A 25 25 LYS HA H 25 5.109 4.889 0.220 1
1 305 . 1 1 1 A 25 25 LYS CA C 25 50.908 53.019 -2.111 1
1 306 . 1 1 1 A 25 25 LYS CB C 25 34.893 34.872 0.021 1
1 307 . 1 1 1 A 25 25 LYS N N 25 127.192 126.458 0.734 1
1 308 . 1 1 1 A 26 26 PRO HA H 26 4.823 4.682 0.141 1
1 315 . 1 1 1 A 26 26 PRO C C 26 177.300 177.653 -0.353 1
1 316 . 1 1 1 A 26 26 PRO CA C 26 61.185 62.908 -1.723 1
1 317 . 1 1 1 A 26 26 PRO CB C 26 30.625 32.147 -1.522 1
1 320 . 1 1 1 A 27 27 LEU H H 27 8.861 8.529 0.332 1
1 321 . 1 1 1 A 27 27 LEU HA H 27 4.101 3.904 0.197 1
1 331 . 1 1 1 A 27 27 LEU C C 27 177.800 177.860 -0.060 1
1 332 . 1 1 1 A 27 27 LEU CA C 27 57.590 58.169 -0.579 1
1 333 . 1 1 1 A 27 27 LEU CB C 27 40.721 42.028 -1.307 1
1 337 . 1 1 1 A 27 27 LEU N N 27 127.814 123.997 3.817 1
1 338 . 1 1 1 A 28 28 ASP H H 28 8.818 7.834 0.984 1
1 339 . 1 1 1 A 28 28 ASP HA H 28 4.477 4.563 -0.086 1
1 342 . 1 1 1 A 28 28 ASP C C 28 174.500 176.696 -2.196 1
1 343 . 1 1 1 A 28 28 ASP CA C 28 55.417 55.509 -0.092 1
1 344 . 1 1 1 A 28 28 ASP CB C 28 40.527 41.527 -1.000 1
1 345 . 1 1 1 A 28 28 ASP N N 28 114.920 116.273 -1.353 1
1 346 . 1 1 1 A 29 29 VAL H H 29 7.004 7.929 -0.925 1
1 347 . 1 1 1 A 29 29 VAL HA H 29 4.164 3.826 0.338 1
1 355 . 1 1 1 A 29 29 VAL C C 29 175.600 175.905 -0.305 1
1 356 . 1 1 1 A 29 29 VAL CA C 29 62.553 63.154 -0.601 1
1 357 . 1 1 1 A 29 29 VAL CB C 29 32.711 29.553 3.158 1
1 360 . 1 1 1 A 29 29 VAL N N 29 119.689 117.101 2.588 1
1 361 . 1 1 1 A 30 30 ASN H H 30 8.802 8.347 0.455 1
1 362 . 1 1 1 A 30 30 ASN HA H 30 5.409 4.995 0.414 1
1 367 . 1 1 1 A 30 30 ASN C C 30 173.400 174.312 -0.912 1
1 368 . 1 1 1 A 30 30 ASN CA C 30 53.262 53.023 0.239 1
1 369 . 1 1 1 A 30 30 ASN CB C 30 41.186 37.871 3.315 1
1 370 . 1 1 1 A 30 30 ASN N N 30 122.479 118.165 4.314 1
1 372 . 1 1 1 A 31 31 SER H H 31 7.329 7.531 -0.202 1
1 373 . 1 1 1 A 31 31 SER HA H 31 4.878 4.766 0.112 1
1 376 . 1 1 1 A 31 31 SER C C 31 173.700 174.442 -0.742 1
1 377 . 1 1 1 A 31 31 SER CA C 31 56.428 57.633 -1.205 1
1 378 . 1 1 1 A 31 31 SER CB C 31 67.086 65.657 1.429 1
1 379 . 1 1 1 A 31 31 SER N N 31 109.583 111.245 -1.662 1
1 380 . 1 1 1 A 32 32 ARG H H 32 8.688 8.744 -0.056 1
1 381 . 1 1 1 A 32 32 ARG HA H 32 4.229 4.241 -0.012 1
1 388 . 1 1 1 A 32 32 ARG C C 32 178.300 177.869 0.431 1
1 389 . 1 1 1 A 32 32 ARG CA C 32 58.914 59.370 -0.456 1
1 390 . 1 1 1 A 32 32 ARG CB C 32 30.785 29.880 0.905 1
1 393 . 1 1 1 A 32 32 ARG N N 32 123.538 124.515 -0.977 1
1 394 . 1 1 1 A 33 33 GLU H H 33 9.157 8.443 0.714 1
1 395 . 1 1 1 A 33 33 GLU HA H 33 4.012 4.091 -0.079 1
1 400 . 1 1 1 A 33 33 GLU C C 33 179.900 179.269 0.631 1
1 401 . 1 1 1 A 33 33 GLU CA C 33 60.615 59.075 1.540 1
1 402 . 1 1 1 A 33 33 GLU CB C 33 28.895 29.181 -0.286 1
1 404 . 1 1 1 A 33 33 GLU N N 33 120.517 118.863 1.654 1
1 405 . 1 1 1 A 34 34 GLU H H 34 7.623 7.975 -0.352 1
1 406 . 1 1 1 A 34 34 GLU HA H 34 4.096 4.061 0.035 1
1 411 . 1 1 1 A 34 34 GLU C C 34 179.100 178.626 0.474 1
1 412 . 1 1 1 A 34 34 GLU CA C 34 58.647 58.823 -0.176 1
1 413 . 1 1 1 A 34 34 GLU CB C 34 30.874 29.838 1.036 1
1 415 . 1 1 1 A 34 34 GLU N N 34 118.275 120.043 -1.768 1
1 416 . 1 1 1 A 35 35 ALA H H 35 8.131 8.538 -0.407 1
1 417 . 1 1 1 A 35 35 ALA HA H 35 3.828 4.047 -0.219 1
1 421 . 1 1 1 A 35 35 ALA C C 35 179.800 179.679 0.121 1
1 422 . 1 1 1 A 35 35 ALA CA C 35 55.337 55.224 0.113 1
1 423 . 1 1 1 A 35 35 ALA CB C 35 18.361 18.669 -0.308 1
1 424 . 1 1 1 A 35 35 ALA N N 35 123.551 122.932 0.619 1
1 425 . 1 1 1 A 36 36 SER H H 36 8.279 8.647 -0.368 1
1 426 . 1 1 1 A 36 36 SER HA H 36 3.875 4.079 -0.204 1
1 429 . 1 1 1 A 36 36 SER C C 36 176.100 177.167 -1.067 1
1 430 . 1 1 1 A 36 36 SER CA C 36 61.573 61.118 0.455 1
1 431 . 1 1 1 A 36 36 SER CB C 36 63.126 63.096 0.030 1
1 432 . 1 1 1 A 36 36 SER N N 36 112.905 112.853 0.052 1
1 433 . 1 1 1 A 37 37 LYS H H 37 7.120 8.009 -0.889 1
1 434 . 1 1 1 A 37 37 LYS HA H 37 4.203 4.096 0.107 1
1 443 . 1 1 1 A 37 37 LYS C C 37 177.100 178.439 -1.339 1
1 444 . 1 1 1 A 37 37 LYS CA C 37 57.553 57.986 -0.433 1
1 445 . 1 1 1 A 37 37 LYS CB C 37 32.178 32.488 -0.310 1
1 449 . 1 1 1 A 37 37 LYS N N 37 119.081 121.419 -2.338 1
1 450 . 1 1 1 A 38 38 LEU H H 38 7.877 7.728 0.149 1
1 451 . 1 1 1 A 38 38 LEU HA H 38 4.138 4.365 -0.227 1
1 461 . 1 1 1 A 38 38 LEU C C 38 176.400 177.113 -0.713 1
1 462 . 1 1 1 A 38 38 LEU CA C 38 54.225 56.414 -2.189 1
1 463 . 1 1 1 A 38 38 LEU CB C 38 42.192 41.690 0.502 1
1 467 . 1 1 1 A 38 38 LEU N N 38 115.729 118.095 -2.366 1
1 468 . 1 1 1 A 39 39 ILE H H 39 6.958 7.091 -0.133 1
1 469 . 1 1 1 A 39 39 ILE HA H 39 3.252 3.741 -0.489 1
1 479 . 1 1 1 A 39 39 ILE C C 39 177.100 177.159 -0.059 1
1 480 . 1 1 1 A 39 39 ILE CA C 39 63.952 64.069 -0.117 1
1 481 . 1 1 1 A 39 39 ILE CB C 39 36.338 37.382 -1.044 1
1 485 . 1 1 1 A 39 39 ILE N N 39 118.446 120.852 -2.406 1
1 486 . 1 1 1 A 40 40 GLY H H 40 8.877 8.928 -0.051 1
1 487 . 1 1 1 A 40 40 GLY HA2 H 40 4.518 4.014 0.504 1
1 488 . 1 1 1 A 40 40 GLY HA3 H 40 3.611 4.018 -0.407 1
1 489 . 1 1 1 A 40 40 GLY C C 40 174.600 174.831 -0.231 1
1 490 . 1 1 1 A 40 40 GLY CA C 40 44.763 44.918 -0.155 1
1 491 . 1 1 1 A 40 40 GLY N N 40 115.966 115.809 0.157 1
1 492 . 1 1 1 A 41 41 ARG H H 41 7.939 7.713 0.226 1
1 493 . 1 1 1 A 41 41 ARG HA H 41 4.481 4.294 0.187 1
1 500 . 1 1 1 A 41 41 ARG C C 41 175.000 174.681 0.319 1
1 501 . 1 1 1 A 41 41 ARG CA C 41 56.298 56.246 0.052 1
1 502 . 1 1 1 A 41 41 ARG CB C 41 30.619 31.887 -1.268 1
1 505 . 1 1 1 A 41 41 ARG N N 41 118.629 120.488 -1.859 1
1 506 . 1 1 1 A 42 42 LEU H H 42 8.400 8.583 -0.183 1
1 507 . 1 1 1 A 42 42 LEU HA H 42 4.773 4.916 -0.143 1
1 517 . 1 1 1 A 42 42 LEU C C 42 175.200 175.195 0.005 1
1 518 . 1 1 1 A 42 42 LEU CA C 42 54.561 53.620 0.941 1
1 519 . 1 1 1 A 42 42 LEU CB C 42 44.111 44.639 -0.528 1
1 523 . 1 1 1 A 42 42 LEU N N 42 121.347 123.639 -2.292 1
1 524 . 1 1 1 A 43 43 VAL H H 43 8.189 8.768 -0.579 1
1 525 . 1 1 1 A 43 43 VAL HA H 43 5.045 4.805 0.240 1
1 533 . 1 1 1 A 43 43 VAL C C 43 173.800 174.346 -0.546 1
1 534 . 1 1 1 A 43 43 VAL CA C 43 59.401 61.032 -1.631 1
1 535 . 1 1 1 A 43 43 VAL CB C 43 34.438 32.990 1.448 1
1 538 . 1 1 1 A 43 43 VAL N N 43 120.875 122.430 -1.555 1
1 539 . 1 1 1 A 44 44 LEU H H 44 9.320 9.148 0.172 1
1 540 . 1 1 1 A 44 44 LEU HA H 44 5.371 5.129 0.242 1
1 550 . 1 1 1 A 44 44 LEU C C 44 176.600 175.128 1.472 1
1 551 . 1 1 1 A 44 44 LEU CA C 44 53.600 53.533 0.067 1
1 552 . 1 1 1 A 44 44 LEU CB C 44 44.381 43.650 0.731 1
1 556 . 1 1 1 A 44 44 LEU N N 44 124.820 128.966 -4.146 1
1 557 . 1 1 1 A 45 45 TRP H H 45 9.251 8.927 0.324 1
1 558 . 1 1 1 A 45 45 TRP HA H 45 5.023 5.300 -0.277 1
1 561 . 1 1 1 A 45 45 TRP C C 45 173.100 175.928 -2.828 1
1 562 . 1 1 1 A 45 45 TRP CA C 45 57.182 55.684 1.498 1
1 563 . 1 1 1 A 45 45 TRP CB C 45 31.353 32.633 -1.280 1
1 564 . 1 1 1 A 45 45 TRP N N 45 125.368 129.849 -4.481 1
1 565 . 1 1 1 A 46 46 LYS H H 46 8.064 8.649 -0.585 1
1 566 . 1 1 1 A 46 46 LYS HA H 46 4.314 4.363 -0.049 1
1 575 . 1 1 1 A 46 46 LYS C C 46 173.800 175.274 -1.474 1
1 576 . 1 1 1 A 46 46 LYS CA C 46 55.132 55.834 -0.702 1
1 577 . 1 1 1 A 46 46 LYS CB C 46 32.714 34.090 -1.376 1
1 580 . 1 1 1 A 46 46 LYS N N 46 129.540 126.493 3.047 1
1 581 . 1 1 1 A 47 47 SER H H 47 8.208 8.294 -0.086 1
1 582 . 1 1 1 A 47 47 SER HA H 47 3.245 4.633 -1.388 1
1 585 . 1 1 1 A 47 47 SER CA C 47 56.564 55.903 0.661 1
1 586 . 1 1 1 A 47 47 SER CB C 47 63.584 65.327 -1.743 1
1 587 . 1 1 1 A 47 47 SER N N 47 124.549 113.919 10.630 1
1 588 . 1 1 1 A 48 48 PRO HA H 48 4.286 4.214 0.072 1
1 595 . 1 1 1 A 48 48 PRO C C 48 177.500 176.551 0.949 1
1 596 . 1 1 1 A 48 48 PRO CA C 48 65.461 63.147 2.314 1
1 597 . 1 1 1 A 48 48 PRO CB C 48 31.723 32.494 -0.771 1
1 600 . 1 1 1 A 49 49 SER H H 49 7.754 8.798 -1.044 1
1 601 . 1 1 1 A 49 49 SER HA H 49 4.414 4.185 0.229 1
1 604 . 1 1 1 A 49 49 SER C C 49 175.200 174.403 0.797 1
1 605 . 1 1 1 A 49 49 SER CA C 49 58.552 59.620 -1.068 1
1 606 . 1 1 1 A 49 49 SER CB C 49 63.820 61.816 2.004 1
1 607 . 1 1 1 A 49 49 SER N N 49 109.700 112.331 -2.631 1
1 608 . 1 1 1 A 50 50 GLY H H 50 8.194 8.536 -0.342 1
1 609 . 1 1 1 A 50 50 GLY HA2 H 50 3.314 3.807 -0.493 1
1 610 . 1 1 1 A 50 50 GLY HA3 H 50 4.354 3.826 0.528 1
1 611 . 1 1 1 A 50 50 GLY C C 50 173.700 173.996 -0.296 1
1 612 . 1 1 1 A 50 50 GLY CA C 50 45.031 45.675 -0.644 1
1 613 . 1 1 1 A 50 50 GLY N N 50 111.568 106.337 5.231 1
1 614 . 1 1 1 A 51 51 LYS H H 51 7.246 7.784 -0.538 1
1 615 . 1 1 1 A 51 51 LYS HA H 51 4.246 4.344 -0.098 1
1 624 . 1 1 1 A 51 51 LYS C C 51 175.900 175.356 0.544 1
1 625 . 1 1 1 A 51 51 LYS CA C 51 55.948 55.652 0.296 1
1 626 . 1 1 1 A 51 51 LYS CB C 51 32.893 32.262 0.631 1
1 630 . 1 1 1 A 51 51 LYS N N 51 120.424 121.947 -1.523 1
1 631 . 1 1 1 A 52 52 ILE H H 52 8.718 8.294 0.424 1
1 632 . 1 1 1 A 52 52 ILE HA H 52 4.670 4.261 0.409 1
1 642 . 1 1 1 A 52 52 ILE C C 52 176.100 175.564 0.536 1
1 643 . 1 1 1 A 52 52 ILE CA C 52 60.261 60.497 -0.236 1
1 644 . 1 1 1 A 52 52 ILE CB C 52 38.268 37.577 0.691 1
1 648 . 1 1 1 A 52 52 ILE N N 52 125.588 127.796 -2.208 1
1 649 . 1 1 1 A 53 53 LEU H H 53 9.558 8.688 0.870 1
1 650 . 1 1 1 A 53 53 LEU HA H 53 4.930 5.046 -0.116 1
1 660 . 1 1 1 A 53 53 LEU C C 53 175.800 176.241 -0.441 1
1 661 . 1 1 1 A 53 53 LEU CA C 53 54.305 53.294 1.011 1
1 662 . 1 1 1 A 53 53 LEU CB C 53 44.080 44.515 -0.435 1
1 666 . 1 1 1 A 53 53 LEU N N 53 131.583 129.039 2.544 1
1 667 . 1 1 1 A 54 54 LYS H H 54 8.746 8.983 -0.237 1
1 668 . 1 1 1 A 54 54 LYS HA H 54 5.463 5.520 -0.057 1
1 677 . 1 1 1 A 54 54 LYS C C 54 176.200 174.971 1.229 1
1 678 . 1 1 1 A 54 54 LYS CA C 54 55.474 54.997 0.477 1
1 679 . 1 1 1 A 54 54 LYS CB C 54 35.349 34.700 0.649 1
1 683 . 1 1 1 A 54 54 LYS N N 54 120.463 120.582 -0.119 1
1 684 . 1 1 1 A 55 55 GLY H H 55 9.217 8.703 0.514 1
1 685 . 1 1 1 A 55 55 GLY HA2 H 55 4.347 3.448 0.899 1
1 686 . 1 1 1 A 55 55 GLY HA3 H 55 1.960 3.906 -1.946 1
1 687 . 1 1 1 A 55 55 GLY C C 55 172.400 172.482 -0.082 1
1 688 . 1 1 1 A 55 55 GLY CA C 55 43.890 44.193 -0.303 1
1 689 . 1 1 1 A 55 55 GLY N N 55 114.284 109.774 4.510 1
1 690 . 1 1 1 A 56 56 LYS H H 56 8.015 8.106 -0.091 1
1 691 . 1 1 1 A 56 56 LYS HA H 56 5.145 4.794 0.351 1
1 700 . 1 1 1 A 56 56 LYS C C 56 176.000 174.505 1.495 1
1 701 . 1 1 1 A 56 56 LYS CA C 56 54.614 55.230 -0.616 1
1 702 . 1 1 1 A 56 56 LYS CB C 56 36.639 36.423 0.216 1
1 706 . 1 1 1 A 56 56 LYS N N 56 118.868 120.849 -1.981 1
1 707 . 1 1 1 A 57 57 ILE H H 57 8.693 8.470 0.223 1
1 708 . 1 1 1 A 57 57 ILE HA H 57 4.149 4.106 0.043 1
1 718 . 1 1 1 A 57 57 ILE C C 57 177.200 177.085 0.115 1
1 719 . 1 1 1 A 57 57 ILE CA C 57 62.915 61.913 1.002 1
1 720 . 1 1 1 A 57 57 ILE CB C 57 36.286 37.915 -1.629 1
1 724 . 1 1 1 A 57 57 ILE N N 57 124.413 127.179 -2.766 1
1 725 . 1 1 1 A 58 58 VAL H H 58 8.931 8.642 0.289 1
1 726 . 1 1 1 A 58 58 VAL HA H 58 4.652 4.261 0.391 1
1 734 . 1 1 1 A 58 58 VAL C C 58 175.500 175.775 -0.275 1
1 735 . 1 1 1 A 58 58 VAL CA C 58 62.104 62.966 -0.862 1
1 736 . 1 1 1 A 58 58 VAL CB C 58 34.118 32.032 2.086 1
1 739 . 1 1 1 A 58 58 VAL N N 58 122.666 121.875 0.791 1
1 740 . 1 1 1 A 59 59 ARG H H 59 7.628 7.702 -0.074 1
1 741 . 1 1 1 A 59 59 ARG HA H 59 4.667 4.840 -0.173 1
1 748 . 1 1 1 A 59 59 ARG C C 59 175.000 174.224 0.776 1
1 749 . 1 1 1 A 59 59 ARG CA C 59 55.579 54.341 1.238 1
1 750 . 1 1 1 A 59 59 ARG CB C 59 34.890 35.030 -0.140 1
1 753 . 1 1 1 A 59 59 ARG N N 59 117.696 119.892 -2.196 1
1 754 . 1 1 1 A 60 60 VAL H H 60 8.647 8.576 0.071 1
1 755 . 1 1 1 A 60 60 VAL HA H 60 4.405 4.618 -0.213 1
1 763 . 1 1 1 A 60 60 VAL C C 60 173.700 174.343 -0.643 1
1 764 . 1 1 1 A 60 60 VAL CA C 60 63.124 61.607 1.517 1
1 765 . 1 1 1 A 60 60 VAL CB C 60 32.087 33.318 -1.231 1
1 768 . 1 1 1 A 60 60 VAL N N 60 117.604 121.992 -4.388 1
1 769 . 1 1 1 A 61 61 HIS H H 61 8.397 8.959 -0.562 1
1 770 . 1 1 1 A 61 61 HIS HA H 61 4.796 4.831 -0.035 1
1 773 . 1 1 1 A 61 61 HIS C C 61 174.200 174.725 -0.525 1
1 774 . 1 1 1 A 61 61 HIS CA C 61 55.883 53.809 2.074 1
1 775 . 1 1 1 A 61 61 HIS CB C 61 33.995 30.793 3.202 1
1 776 . 1 1 1 A 61 61 HIS N N 61 124.046 126.204 -2.158 1
1 777 . 1 1 1 A 62 62 GLY H H 62 8.619 8.107 0.512 1
1 778 . 1 1 1 A 62 62 GLY HA2 H 62 4.014 3.948 0.066 1
1 779 . 1 1 1 A 62 62 GLY HA3 H 62 3.771 3.957 -0.186 1
1 780 . 1 1 1 A 62 62 GLY C C 62 176.300 174.652 1.648 1
1 781 . 1 1 1 A 62 62 GLY CA C 62 45.006 45.203 -0.197 1
1 782 . 1 1 1 A 62 62 GLY N N 62 114.965 113.035 1.930 1
1 783 . 1 1 1 A 63 63 THR H H 63 8.945 8.239 0.706 1
1 784 . 1 1 1 A 63 63 THR HA H 63 4.533 4.190 0.343 1
1 789 . 1 1 1 A 63 63 THR C C 63 175.200 174.393 0.807 1
1 790 . 1 1 1 A 63 63 THR CA C 63 61.793 64.343 -2.550 1
1 791 . 1 1 1 A 63 63 THR CB C 63 69.548 68.370 1.178 1
1 793 . 1 1 1 A 63 63 THR N N 63 111.112 113.121 -2.009 1
1 794 . 1 1 1 A 64 64 LYS H H 64 9.133 8.675 0.458 1
1 795 . 1 1 1 A 64 64 LYS HA H 64 4.588 4.520 0.068 1
1 802 . 1 1 1 A 64 64 LYS C C 64 175.500 176.138 -0.638 1
1 803 . 1 1 1 A 64 64 LYS CA C 64 55.231 55.852 -0.621 1
1 804 . 1 1 1 A 64 64 LYS CB C 64 32.452 31.603 0.849 1
1 807 . 1 1 1 A 64 64 LYS N N 64 122.500 126.335 -3.835 1
1 808 . 1 1 1 A 65 65 GLY H H 65 7.987 7.689 0.298 1
1 809 . 1 1 1 A 65 65 GLY HA2 H 65 4.500 4.167 0.333 1
1 810 . 1 1 1 A 65 65 GLY HA3 H 65 3.135 4.168 -1.033 1
1 811 . 1 1 1 A 65 65 GLY C C 65 171.300 172.614 -1.314 1
1 812 . 1 1 1 A 65 65 GLY CA C 65 44.920 45.936 -1.016 1
1 813 . 1 1 1 A 65 65 GLY N N 65 106.884 108.235 -1.351 1
1 814 . 1 1 1 A 66 66 ALA H H 66 7.671 8.369 -0.698 1
1 815 . 1 1 1 A 66 66 ALA HA H 66 4.911 4.391 0.520 1
1 819 . 1 1 1 A 66 66 ALA C C 66 177.400 176.766 0.634 1
1 820 . 1 1 1 A 66 66 ALA CA C 66 52.232 52.010 0.222 1
1 821 . 1 1 1 A 66 66 ALA CB C 66 18.719 20.069 -1.350 1
1 822 . 1 1 1 A 66 66 ALA N N 66 115.951 125.600 -9.649 1
1 823 . 1 1 1 A 67 67 VAL H H 67 8.951 8.351 0.600 1
1 824 . 1 1 1 A 67 67 VAL HA H 67 4.875 4.851 0.024 1
1 832 . 1 1 1 A 67 67 VAL C C 67 173.400 173.851 -0.451 1
1 833 . 1 1 1 A 67 67 VAL CA C 67 59.368 59.243 0.125 1
1 834 . 1 1 1 A 67 67 VAL CB C 67 36.262 36.314 -0.052 1
1 837 . 1 1 1 A 67 67 VAL N N 67 108.601 111.613 -3.012 1
1 838 . 1 1 1 A 68 68 ARG H H 68 9.043 9.092 -0.049 1
1 839 . 1 1 1 A 68 68 ARG HA H 68 5.179 4.741 0.438 1
1 846 . 1 1 1 A 68 68 ARG C C 68 175.000 175.419 -0.419 1
1 847 . 1 1 1 A 68 68 ARG CA C 68 54.632 55.572 -0.940 1
1 848 . 1 1 1 A 68 68 ARG CB C 68 32.597 31.432 1.165 1
1 851 . 1 1 1 A 68 68 ARG N N 68 118.441 123.168 -4.727 1
1 852 . 1 1 1 A 69 69 ALA H H 69 9.561 8.715 0.846 1
1 853 . 1 1 1 A 69 69 ALA HA H 69 5.409 4.971 0.438 1
1 857 . 1 1 1 A 69 69 ALA C C 69 174.400 175.271 -0.871 1
1 858 . 1 1 1 A 69 69 ALA CA C 69 49.830 50.865 -1.035 1
1 859 . 1 1 1 A 69 69 ALA CB C 69 23.932 24.555 -0.623 1
1 860 . 1 1 1 A 69 69 ALA N N 69 126.495 126.650 -0.155 1
1 861 . 1 1 1 A 70 70 ARG H H 70 8.692 8.396 0.296 1
1 862 . 1 1 1 A 70 70 ARG HA H 70 5.169 5.249 -0.080 1
1 869 . 1 1 1 A 70 70 ARG C C 70 175.700 174.871 0.829 1
1 870 . 1 1 1 A 70 70 ARG CA C 70 55.090 54.659 0.431 1
1 871 . 1 1 1 A 70 70 ARG CB C 70 33.544 34.868 -1.324 1
1 874 . 1 1 1 A 70 70 ARG N N 70 122.321 118.031 4.290 1
1 875 . 1 1 1 A 71 71 PHE H H 71 9.442 9.035 0.407 1
1 876 . 1 1 1 A 71 71 PHE HA H 71 4.859 5.103 -0.244 1
1 879 . 1 1 1 A 71 71 PHE C C 71 175.700 175.450 0.250 1
1 880 . 1 1 1 A 71 71 PHE CA C 71 57.465 56.396 1.069 1
1 881 . 1 1 1 A 71 71 PHE CB C 71 41.819 41.331 0.488 1
1 882 . 1 1 1 A 71 71 PHE N N 71 128.794 121.623 7.171 1
1 883 . 1 1 1 A 72 72 GLU H H 72 8.968 9.092 -0.124 1
1 884 . 1 1 1 A 72 72 GLU HA H 72 4.242 4.223 0.019 1
1 889 . 1 1 1 A 72 72 GLU C C 72 176.500 177.617 -1.117 1
1 890 . 1 1 1 A 72 72 GLU CA C 72 58.604 58.436 0.168 1
1 891 . 1 1 1 A 72 72 GLU CB C 72 30.263 29.782 0.481 1
1 893 . 1 1 1 A 72 72 GLU N N 72 121.197 123.504 -2.307 1
1 894 . 1 1 1 A 73 73 LYS H H 73 8.123 7.932 0.191 1
1 895 . 1 1 1 A 73 73 LYS HA H 73 4.514 4.358 0.156 1
1 904 . 1 1 1 A 73 73 LYS C C 73 175.300 177.375 -2.075 1
1 905 . 1 1 1 A 73 73 LYS CA C 73 54.839 56.284 -1.445 1
1 906 . 1 1 1 A 73 73 LYS CB C 73 34.555 33.223 1.332 1
1 910 . 1 1 1 A 73 73 LYS N N 73 117.266 117.620 -0.354 1
1 911 . 1 1 1 A 74 74 GLY H H 74 8.138 8.019 0.119 1
1 912 . 1 1 1 A 74 74 GLY HA2 H 74 3.733 3.964 -0.231 1
1 913 . 1 1 1 A 74 74 GLY HA3 H 74 3.734 4.022 -0.288 1
1 914 . 1 1 1 A 74 74 GLY C C 74 173.300 173.179 0.121 1
1 915 . 1 1 1 A 74 74 GLY CA C 74 45.289 44.851 0.438 1
1 916 . 1 1 1 A 74 74 GLY N N 74 105.973 107.525 -1.552 1
1 917 . 1 1 1 A 75 75 LEU H H 75 7.924 8.251 -0.327 1
1 918 . 1 1 1 A 75 75 LEU HA H 75 4.337 4.727 -0.390 1
1 928 . 1 1 1 A 75 75 LEU CA C 75 52.387 52.516 -0.129 1
1 929 . 1 1 1 A 75 75 LEU CB C 75 41.391 42.262 -0.871 1
1 933 . 1 1 1 A 75 75 LEU N N 75 122.540 120.283 2.257 1
1 934 . 1 1 1 A 76 76 PRO HA H 76 4.527 4.617 -0.090 1
1 941 . 1 1 1 A 76 76 PRO C C 76 176.700 176.471 0.229 1
1 942 . 1 1 1 A 76 76 PRO CA C 76 62.467 62.483 -0.016 1
1 943 . 1 1 1 A 76 76 PRO CB C 76 32.055 32.356 -0.301 1
1 946 . 1 1 1 A 77 77 GLY H H 77 8.346 8.573 -0.227 1
1 947 . 1 1 1 A 77 77 GLY HA2 H 77 3.912 3.860 0.052 1
1 948 . 1 1 1 A 77 77 GLY HA3 H 77 3.836 3.864 -0.028 1
1 949 . 1 1 1 A 77 77 GLY C C 77 174.900 175.266 -0.366 1
1 950 . 1 1 1 A 77 77 GLY CA C 77 46.447 46.336 0.111 1
1 951 . 1 1 1 A 77 77 GLY N N 77 107.966 109.243 -1.277 1
1 952 . 1 1 1 A 78 78 GLN H H 78 8.226 8.967 -0.741 1
1 953 . 1 1 1 A 78 78 GLN HA H 78 4.244 4.019 0.225 1
1 960 . 1 1 1 A 78 78 GLN C C 78 175.500 176.153 -0.653 1
1 961 . 1 1 1 A 78 78 GLN CA C 78 57.091 56.583 0.508 1
1 962 . 1 1 1 A 78 78 GLN CB C 78 28.933 27.241 1.692 1
1 964 . 1 1 1 A 78 78 GLN N N 78 118.286 124.669 -6.383 1
1 966 . 1 1 1 A 79 79 ALA H H 79 7.890 8.212 -0.322 1
1 967 . 1 1 1 A 79 79 ALA HA H 79 4.211 4.645 -0.434 1
1 971 . 1 1 1 A 79 79 ALA C C 79 177.100 176.812 0.288 1
1 972 . 1 1 1 A 79 79 ALA CA C 79 52.573 51.353 1.220 1
1 973 . 1 1 1 A 79 79 ALA CB C 79 19.067 20.468 -1.401 1
1 974 . 1 1 1 A 79 79 ALA N N 79 122.012 127.995 -5.983 1
1 975 . 1 1 1 A 80 80 LEU H H 80 7.340 7.951 -0.611 1
1 976 . 1 1 1 A 80 80 LEU HA H 80 3.548 4.245 -0.697 1
1 986 . 1 1 1 A 80 80 LEU C C 80 178.200 177.620 0.580 1
1 987 . 1 1 1 A 80 80 LEU CA C 80 57.059 54.971 2.088 1
1 988 . 1 1 1 A 80 80 LEU CB C 80 41.010 40.341 0.669 1
1 992 . 1 1 1 A 80 80 LEU N N 80 117.413 120.117 -2.704 1
1 993 . 1 1 1 A 81 81 GLY H H 81 8.704 7.996 0.708 1
1 994 . 1 1 1 A 81 81 GLY HA2 H 81 3.477 3.998 -0.521 1
1 995 . 1 1 1 A 81 81 GLY HA3 H 81 4.176 4.059 0.117 1
1 996 . 1 1 1 A 81 81 GLY C C 81 173.200 174.230 -1.030 1
1 997 . 1 1 1 A 81 81 GLY CA C 81 45.500 45.266 0.234 1
1 998 . 1 1 1 A 81 81 GLY N N 81 113.076 112.552 0.524 1
1 999 . 1 1 1 A 82 82 ASP H H 82 8.092 7.587 0.505 1
1 1000 . 1 1 1 A 82 82 ASP HA H 82 4.711 4.868 -0.157 1
1 1003 . 1 1 1 A 82 82 ASP C C 82 175.400 175.738 -0.338 1
1 1004 . 1 1 1 A 82 82 ASP CA C 82 53.447 54.426 -0.979 1
1 1005 . 1 1 1 A 82 82 ASP CB C 82 42.306 41.974 0.332 1
1 1006 . 1 1 1 A 82 82 ASP N N 82 120.648 121.811 -1.163 1
1 1007 . 1 1 1 A 83 83 TYR H H 83 8.637 8.825 -0.188 1
1 1008 . 1 1 1 A 83 83 TYR HA H 83 5.725 4.679 1.046 1
1 1011 . 1 1 1 A 83 83 TYR C C 83 176.800 175.963 0.837 1
1 1012 . 1 1 1 A 83 83 TYR CA C 83 57.359 59.241 -1.882 1
1 1013 . 1 1 1 A 83 83 TYR CB C 83 40.594 39.289 1.305 1
1 1014 . 1 1 1 A 83 83 TYR N N 83 117.015 124.974 -7.959 1
1 1015 . 1 1 1 A 84 84 VAL H H 84 8.747 8.338 0.409 1
1 1016 . 1 1 1 A 84 84 VAL HA H 84 5.006 4.805 0.201 1
1 1024 . 1 1 1 A 84 84 VAL C C 84 175.200 174.977 0.223 1
1 1025 . 1 1 1 A 84 84 VAL CA C 84 58.855 60.366 -1.511 1
1 1026 . 1 1 1 A 84 84 VAL CB C 84 35.371 33.187 2.184 1
1 1029 . 1 1 1 A 84 84 VAL N N 84 111.283 118.901 -7.618 1
1 1030 . 1 1 1 A 85 85 GLU H H 85 8.384 8.770 -0.386 1
1 1031 . 1 1 1 A 85 85 GLU HA H 85 5.129 5.276 -0.147 1
1 1036 . 1 1 1 A 85 85 GLU C C 85 174.900 175.349 -0.449 1
1 1037 . 1 1 1 A 85 85 GLU CA C 85 55.209 54.809 0.400 1
1 1038 . 1 1 1 A 85 85 GLU CB C 85 33.531 34.340 -0.809 1
1 1040 . 1 1 1 A 85 85 GLU N N 85 118.476 120.568 -2.092 1
1 1041 . 1 1 1 A 86 86 ILE H H 86 9.344 8.720 0.624 1
1 1042 . 1 1 1 A 86 86 ILE HA H 86 4.951 4.573 0.378 1
1 1052 . 1 1 1 A 86 86 ILE C C 86 176.000 175.033 0.967 1
1 1053 . 1 1 1 A 86 86 ILE CA C 86 60.535 60.552 -0.017 1
1 1054 . 1 1 1 A 86 86 ILE CB C 86 39.154 37.550 1.604 1
1 1058 . 1 1 1 A 86 86 ILE N N 86 124.495 122.818 1.677 1
1 1 . 2 1 1 A 2 2 ARG HA H 2 5.159 5.036 0.123 1
1 8 . 2 1 1 A 2 2 ARG C C 2 175.500 175.291 0.209 1
1 9 . 2 1 1 A 2 2 ARG CA C 2 55.183 54.688 0.495 1
1 10 . 2 1 1 A 2 2 ARG CB C 2 32.737 32.078 0.659 1
1 13 . 2 1 1 A 3 3 ILE H H 3 8.800 8.558 0.242 1
1 14 . 2 1 1 A 3 3 ILE HA H 3 4.674 4.958 -0.284 1
1 24 . 2 1 1 A 3 3 ILE C C 3 175.000 174.095 0.905 1
1 25 . 2 1 1 A 3 3 ILE CA C 3 60.050 59.618 0.432 1
1 26 . 2 1 1 A 3 3 ILE CB C 3 41.249 42.694 -1.445 1
1 30 . 2 1 1 A 3 3 ILE N N 3 119.700 119.614 0.086 1
1 31 . 2 1 1 A 4 4 LYS H H 4 8.864 8.814 0.050 1
1 32 . 2 1 1 A 4 4 LYS HA H 4 5.180 5.508 -0.328 1
1 41 . 2 1 1 A 4 4 LYS C C 4 176.800 174.993 1.807 1
1 42 . 2 1 1 A 4 4 LYS CA C 4 55.798 54.833 0.965 1
1 43 . 2 1 1 A 4 4 LYS CB C 4 35.471 34.843 0.628 1
1 47 . 2 1 1 A 4 4 LYS N N 4 123.785 120.611 3.174 1
1 48 . 2 1 1 A 5 5 GLY H H 5 8.662 9.236 -0.574 1
1 49 . 2 1 1 A 5 5 GLY HA2 H 5 3.122 4.102 -0.980 1
1 50 . 2 1 1 A 5 5 GLY HA3 H 5 5.139 4.120 1.019 1
1 51 . 2 1 1 A 5 5 GLY C C 5 170.800 172.573 -1.773 1
1 52 . 2 1 1 A 5 5 GLY CA C 5 44.967 43.951 1.016 1
1 53 . 2 1 1 A 5 5 GLY N N 5 107.023 109.574 -2.551 1
1 54 . 2 1 1 A 6 6 VAL H H 6 8.168 8.228 -0.060 1
1 55 . 2 1 1 A 6 6 VAL HA H 6 4.936 4.226 0.710 1
1 63 . 2 1 1 A 6 6 VAL C C 6 175.100 174.818 0.282 1
1 64 . 2 1 1 A 6 6 VAL CA C 6 60.066 60.239 -0.173 1
1 65 . 2 1 1 A 6 6 VAL CB C 6 35.501 35.535 -0.034 1
1 68 . 2 1 1 A 6 6 VAL N N 6 118.930 119.857 -0.927 1
1 69 . 2 1 1 A 7 7 VAL H H 7 8.663 8.792 -0.129 1
1 70 . 2 1 1 A 7 7 VAL HA H 7 3.771 4.055 -0.284 1
1 78 . 2 1 1 A 7 7 VAL C C 7 176.020 175.460 0.560 1
1 79 . 2 1 1 A 7 7 VAL CA C 7 63.861 62.564 1.297 1
1 80 . 2 1 1 A 7 7 VAL CB C 7 31.549 32.086 -0.537 1
1 83 . 2 1 1 A 7 7 VAL N N 7 126.733 126.127 0.606 1
1 84 . 2 1 1 A 8 8 LEU H H 8 9.077 8.476 0.601 1
1 85 . 2 1 1 A 8 8 LEU HA H 8 4.396 4.503 -0.107 1
1 95 . 2 1 1 A 8 8 LEU C C 8 177.000 176.626 0.374 1
1 96 . 2 1 1 A 8 8 LEU CA C 8 55.871 55.792 0.079 1
1 97 . 2 1 1 A 8 8 LEU CB C 8 43.337 43.541 -0.204 1
1 101 . 2 1 1 A 8 8 LEU N N 8 128.947 125.515 3.432 1
1 102 . 2 1 1 A 9 9 SER H H 9 7.409 7.774 -0.365 1
1 103 . 2 1 1 A 9 9 SER HA H 9 4.347 4.876 -0.529 1
1 106 . 2 1 1 A 9 9 SER C C 9 172.900 171.947 0.953 1
1 107 . 2 1 1 A 9 9 SER CA C 9 57.866 57.611 0.255 1
1 108 . 2 1 1 A 9 9 SER CB C 9 64.173 65.827 -1.654 1
1 109 . 2 1 1 A 9 9 SER N N 9 108.469 109.537 -1.068 1
1 110 . 2 1 1 A 10 10 TYR H H 10 8.464 8.984 -0.520 1
1 111 . 2 1 1 A 10 10 TYR HA H 10 5.064 5.125 -0.061 1
1 114 . 2 1 1 A 10 10 TYR C C 10 175.400 174.055 1.345 1
1 115 . 2 1 1 A 10 10 TYR CA C 10 57.258 56.837 0.421 1
1 116 . 2 1 1 A 10 10 TYR CB C 10 40.325 40.344 -0.019 1
1 117 . 2 1 1 A 10 10 TYR N N 10 121.190 127.350 -6.160 1
1 118 . 2 1 1 A 11 11 ARG H H 11 8.545 8.324 0.221 1
1 119 . 2 1 1 A 11 11 ARG HA H 11 4.441 4.322 0.119 1
1 126 . 2 1 1 A 11 11 ARG C C 11 174.800 175.250 -0.450 1
1 127 . 2 1 1 A 11 11 ARG CA C 11 55.308 55.502 -0.194 1
1 128 . 2 1 1 A 11 11 ARG CB C 11 31.551 30.559 0.992 1
1 131 . 2 1 1 A 11 11 ARG N N 11 124.044 129.130 -5.086 1
1 132 . 2 1 1 A 12 12 ARG H H 12 8.562 8.322 0.240 1
1 133 . 2 1 1 A 12 12 ARG HA H 12 4.577 4.119 0.458 1
1 140 . 2 1 1 A 12 12 ARG C C 12 176.100 175.671 0.429 1
1 141 . 2 1 1 A 12 12 ARG CA C 12 55.803 54.438 1.365 1
1 142 . 2 1 1 A 12 12 ARG CB C 12 31.265 29.027 2.238 1
1 145 . 2 1 1 A 12 12 ARG N N 12 124.990 128.455 -3.465 1
1 146 . 2 1 1 A 13 13 SER H H 13 8.485 7.975 0.510 1
1 147 . 2 1 1 A 13 13 SER HA H 13 4.542 4.332 0.210 1
1 150 . 2 1 1 A 13 13 SER C C 13 175.000 173.746 1.254 1
1 151 . 2 1 1 A 13 13 SER CA C 13 57.790 60.638 -2.848 1
1 152 . 2 1 1 A 13 13 SER CB C 13 64.666 62.706 1.960 1
1 153 . 2 1 1 A 13 13 SER N N 13 118.058 119.773 -1.715 1
1 154 . 2 1 1 A 14 14 LYS H H 14 8.663 8.228 0.435 1
1 155 . 2 1 1 A 14 14 LYS HA H 14 4.178 4.149 0.029 1
1 164 . 2 1 1 A 14 14 LYS C C 14 177.400 175.816 1.584 1
1 165 . 2 1 1 A 14 14 LYS CA C 14 57.997 58.291 -0.294 1
1 166 . 2 1 1 A 14 14 LYS CB C 14 32.686 31.120 1.566 1
1 170 . 2 1 1 A 14 14 LYS N N 14 123.187 120.025 3.162 1
1 171 . 2 1 1 A 15 15 GLU H H 15 8.525 8.433 0.092 1
1 172 . 2 1 1 A 15 15 GLU HA H 15 4.217 4.203 0.014 1
1 177 . 2 1 1 A 15 15 GLU C C 15 176.300 176.248 0.052 1
1 178 . 2 1 1 A 15 15 GLU CA C 15 57.504 55.924 1.580 1
1 179 . 2 1 1 A 15 15 GLU CB C 15 29.654 30.409 -0.755 1
1 181 . 2 1 1 A 15 15 GLU N N 15 118.364 121.045 -2.681 1
1 182 . 2 1 1 A 16 16 ASN H H 16 7.985 9.057 -1.072 1
1 183 . 2 1 1 A 16 16 ASN HA H 16 4.690 4.326 0.364 1
1 188 . 2 1 1 A 16 16 ASN C C 16 175.100 175.268 -0.168 1
1 189 . 2 1 1 A 16 16 ASN CA C 16 53.363 53.809 -0.446 1
1 190 . 2 1 1 A 16 16 ASN CB C 16 39.022 37.080 1.942 1
1 191 . 2 1 1 A 16 16 ASN N N 16 117.467 118.259 -0.792 1
1 193 . 2 1 1 A 17 17 GLN H H 17 8.384 8.100 0.284 1
1 194 . 2 1 1 A 17 17 GLN HA H 17 4.256 4.274 -0.018 1
1 201 . 2 1 1 A 17 17 GLN C C 17 175.800 175.698 0.102 1
1 202 . 2 1 1 A 17 17 GLN CA C 17 56.678 56.818 -0.140 1
1 203 . 2 1 1 A 17 17 GLN CB C 17 29.071 29.221 -0.150 1
1 205 . 2 1 1 A 17 17 GLN N N 17 119.788 125.014 -5.226 1
1 207 . 2 1 1 A 18 18 HIS H H 18 8.209 8.706 -0.497 1
1 208 . 2 1 1 A 18 18 HIS HA H 18 4.683 4.763 -0.080 1
1 211 . 2 1 1 A 18 18 HIS C C 18 175.080 174.800 0.280 1
1 212 . 2 1 1 A 18 18 HIS CA C 18 55.839 55.230 0.609 1
1 213 . 2 1 1 A 18 18 HIS CB C 18 30.460 31.693 -1.233 1
1 214 . 2 1 1 A 18 18 HIS N N 18 117.984 125.393 -7.409 1
1 215 . 2 1 1 A 19 19 ASN H H 19 8.430 8.278 0.152 1
1 216 . 2 1 1 A 19 19 ASN HA H 19 4.813 4.683 0.130 1
1 221 . 2 1 1 A 19 19 ASN C C 19 174.300 174.252 0.048 1
1 222 . 2 1 1 A 19 19 ASN CA C 19 53.172 52.962 0.210 1
1 223 . 2 1 1 A 19 19 ASN CB C 19 38.503 38.282 0.221 1
1 224 . 2 1 1 A 19 19 ASN N N 19 122.300 117.929 4.371 1
1 226 . 2 1 1 A 20 20 ASN H H 20 8.353 8.464 -0.111 1
1 227 . 2 1 1 A 20 20 ASN HA H 20 4.828 4.833 -0.005 1
1 232 . 2 1 1 A 20 20 ASN C C 20 174.000 174.964 -0.964 1
1 233 . 2 1 1 A 20 20 ASN CA C 20 53.292 52.886 0.406 1
1 234 . 2 1 1 A 20 20 ASN CB C 20 38.896 38.998 -0.102 1
1 235 . 2 1 1 A 20 20 ASN N N 20 117.387 118.488 -1.101 1
1 237 . 2 1 1 A 21 21 VAL H H 21 8.285 8.517 -0.232 1
1 238 . 2 1 1 A 21 21 VAL HA H 21 5.090 4.889 0.201 1
1 246 . 2 1 1 A 21 21 VAL C C 21 174.900 175.027 -0.127 1
1 247 . 2 1 1 A 21 21 VAL CA C 21 61.409 60.164 1.245 1
1 248 . 2 1 1 A 21 21 VAL CB C 21 33.979 34.394 -0.415 1
1 251 . 2 1 1 A 21 21 VAL N N 21 120.718 124.272 -3.554 1
1 252 . 2 1 1 A 22 22 MET H H 22 9.083 8.947 0.136 1
1 253 . 2 1 1 A 22 22 MET HA H 22 5.073 5.070 0.003 1
1 258 . 2 1 1 A 22 22 MET C C 22 174.600 174.187 0.413 1
1 259 . 2 1 1 A 22 22 MET CA C 22 53.096 54.654 -1.558 1
1 260 . 2 1 1 A 22 22 MET CB C 22 36.612 36.134 0.478 1
1 262 . 2 1 1 A 22 22 MET N N 22 123.693 123.605 0.088 1
1 263 . 2 1 1 A 23 23 ILE H H 23 8.761 8.907 -0.146 1
1 264 . 2 1 1 A 23 23 ILE HA H 23 4.738 4.896 -0.158 1
1 274 . 2 1 1 A 23 23 ILE C C 23 175.500 175.241 0.259 1
1 275 . 2 1 1 A 23 23 ILE CA C 23 59.230 60.271 -1.041 1
1 276 . 2 1 1 A 23 23 ILE CB C 23 36.022 38.876 -2.854 1
1 280 . 2 1 1 A 23 23 ILE N N 23 123.898 126.881 -2.983 1
1 281 . 2 1 1 A 24 24 ILE H H 24 9.048 8.824 0.224 1
1 282 . 2 1 1 A 24 24 ILE HA H 24 4.881 4.849 0.032 1
1 292 . 2 1 1 A 24 24 ILE C C 24 174.200 175.077 -0.877 1
1 293 . 2 1 1 A 24 24 ILE CA C 24 58.256 59.881 -1.625 1
1 294 . 2 1 1 A 24 24 ILE CB C 24 42.799 42.494 0.305 1
1 298 . 2 1 1 A 24 24 ILE N N 24 126.877 127.814 -0.937 1
1 299 . 2 1 1 A 25 25 LYS H H 25 9.205 8.475 0.730 1
1 300 . 2 1 1 A 25 25 LYS HA H 25 5.109 4.894 0.215 1
1 305 . 2 1 1 A 25 25 LYS CA C 25 50.908 52.982 -2.074 1
1 306 . 2 1 1 A 25 25 LYS CB C 25 34.893 34.223 0.670 1
1 307 . 2 1 1 A 25 25 LYS N N 25 127.192 126.121 1.071 1
1 308 . 2 1 1 A 26 26 PRO HA H 26 4.823 4.467 0.356 1
1 315 . 2 1 1 A 26 26 PRO C C 26 177.300 177.003 0.297 1
1 316 . 2 1 1 A 26 26 PRO CA C 26 61.185 62.392 -1.207 1
1 317 . 2 1 1 A 26 26 PRO CB C 26 30.625 29.510 1.115 1
1 320 . 2 1 1 A 27 27 LEU H H 27 8.861 9.004 -0.143 1
1 321 . 2 1 1 A 27 27 LEU HA H 27 4.101 4.116 -0.015 1
1 331 . 2 1 1 A 27 27 LEU C C 27 177.800 176.606 1.194 1
1 332 . 2 1 1 A 27 27 LEU CA C 27 57.590 56.823 0.767 1
1 333 . 2 1 1 A 27 27 LEU CB C 27 40.721 41.523 -0.802 1
1 337 . 2 1 1 A 27 27 LEU N N 27 127.814 124.924 2.890 1
1 338 . 2 1 1 A 28 28 ASP H H 28 8.818 8.784 0.034 1
1 339 . 2 1 1 A 28 28 ASP HA H 28 4.477 4.398 0.079 1
1 342 . 2 1 1 A 28 28 ASP C C 28 174.500 176.370 -1.870 1
1 343 . 2 1 1 A 28 28 ASP CA C 28 55.417 56.966 -1.549 1
1 344 . 2 1 1 A 28 28 ASP CB C 28 40.527 40.826 -0.299 1
1 345 . 2 1 1 A 28 28 ASP N N 28 114.920 126.276 -11.356 1
1 346 . 2 1 1 A 29 29 VAL H H 29 7.004 7.917 -0.913 1
1 347 . 2 1 1 A 29 29 VAL HA H 29 4.164 3.648 0.516 1
1 355 . 2 1 1 A 29 29 VAL C C 29 175.600 175.940 -0.340 1
1 356 . 2 1 1 A 29 29 VAL CA C 29 62.553 63.101 -0.548 1
1 357 . 2 1 1 A 29 29 VAL CB C 29 32.711 29.546 3.165 1
1 360 . 2 1 1 A 29 29 VAL N N 29 119.689 116.172 3.517 1
1 361 . 2 1 1 A 30 30 ASN H H 30 8.802 8.370 0.432 1
1 362 . 2 1 1 A 30 30 ASN HA H 30 5.409 4.913 0.496 1
1 367 . 2 1 1 A 30 30 ASN C C 30 173.400 174.299 -0.899 1
1 368 . 2 1 1 A 30 30 ASN CA C 30 53.262 52.977 0.285 1
1 369 . 2 1 1 A 30 30 ASN CB C 30 41.186 37.998 3.188 1
1 370 . 2 1 1 A 30 30 ASN N N 30 122.479 118.527 3.952 1
1 372 . 2 1 1 A 31 31 SER H H 31 7.329 7.618 -0.289 1
1 373 . 2 1 1 A 31 31 SER HA H 31 4.878 4.789 0.089 1
1 376 . 2 1 1 A 31 31 SER C C 31 173.700 174.255 -0.555 1
1 377 . 2 1 1 A 31 31 SER CA C 31 56.428 56.886 -0.458 1
1 378 . 2 1 1 A 31 31 SER CB C 31 67.086 65.508 1.578 1
1 379 . 2 1 1 A 31 31 SER N N 31 109.583 113.257 -3.674 1
1 380 . 2 1 1 A 32 32 ARG H H 32 8.688 8.788 -0.100 1
1 381 . 2 1 1 A 32 32 ARG HA H 32 4.229 4.191 0.038 1
1 388 . 2 1 1 A 32 32 ARG C C 32 178.300 177.361 0.939 1
1 389 . 2 1 1 A 32 32 ARG CA C 32 58.914 59.581 -0.667 1
1 390 . 2 1 1 A 32 32 ARG CB C 32 30.785 29.995 0.790 1
1 393 . 2 1 1 A 32 32 ARG N N 32 123.538 127.110 -3.572 1
1 394 . 2 1 1 A 33 33 GLU H H 33 9.157 7.901 1.256 1
1 395 . 2 1 1 A 33 33 GLU HA H 33 4.012 4.230 -0.218 1
1 400 . 2 1 1 A 33 33 GLU C C 33 179.900 179.011 0.889 1
1 401 . 2 1 1 A 33 33 GLU CA C 33 60.615 59.468 1.147 1
1 402 . 2 1 1 A 33 33 GLU CB C 33 28.895 29.096 -0.201 1
1 404 . 2 1 1 A 33 33 GLU N N 33 120.517 118.825 1.692 1
1 405 . 2 1 1 A 34 34 GLU H H 34 7.623 8.045 -0.422 1
1 406 . 2 1 1 A 34 34 GLU HA H 34 4.096 4.054 0.042 1
1 411 . 2 1 1 A 34 34 GLU C C 34 179.100 178.261 0.839 1
1 412 . 2 1 1 A 34 34 GLU CA C 34 58.647 59.531 -0.884 1
1 413 . 2 1 1 A 34 34 GLU CB C 34 30.874 29.393 1.481 1
1 415 . 2 1 1 A 34 34 GLU N N 34 118.275 119.496 -1.221 1
1 416 . 2 1 1 A 35 35 ALA H H 35 8.131 8.704 -0.573 1
1 417 . 2 1 1 A 35 35 ALA HA H 35 3.828 4.086 -0.258 1
1 421 . 2 1 1 A 35 35 ALA C C 35 179.800 180.100 -0.300 1
1 422 . 2 1 1 A 35 35 ALA CA C 35 55.337 55.184 0.153 1
1 423 . 2 1 1 A 35 35 ALA CB C 35 18.361 18.707 -0.346 1
1 424 . 2 1 1 A 35 35 ALA N N 35 123.551 121.940 1.611 1
1 425 . 2 1 1 A 36 36 SER H H 36 8.279 9.284 -1.005 1
1 426 . 2 1 1 A 36 36 SER HA H 36 3.875 4.149 -0.274 1
1 429 . 2 1 1 A 36 36 SER C C 36 176.100 176.561 -0.461 1
1 430 . 2 1 1 A 36 36 SER CA C 36 61.573 61.497 0.076 1
1 431 . 2 1 1 A 36 36 SER CB C 36 63.126 62.422 0.704 1
1 432 . 2 1 1 A 36 36 SER N N 36 112.905 113.158 -0.253 1
1 433 . 2 1 1 A 37 37 LYS H H 37 7.120 8.051 -0.931 1
1 434 . 2 1 1 A 37 37 LYS HA H 37 4.203 4.061 0.142 1
1 443 . 2 1 1 A 37 37 LYS C C 37 177.100 179.296 -2.196 1
1 444 . 2 1 1 A 37 37 LYS CA C 37 57.553 59.826 -2.273 1
1 445 . 2 1 1 A 37 37 LYS CB C 37 32.178 32.458 -0.280 1
1 449 . 2 1 1 A 37 37 LYS N N 37 119.081 121.833 -2.752 1
1 450 . 2 1 1 A 38 38 LEU H H 38 7.877 8.143 -0.266 1
1 451 . 2 1 1 A 38 38 LEU HA H 38 4.138 4.329 -0.191 1
1 461 . 2 1 1 A 38 38 LEU C C 38 176.400 176.761 -0.361 1
1 462 . 2 1 1 A 38 38 LEU CA C 38 54.225 55.588 -1.363 1
1 463 . 2 1 1 A 38 38 LEU CB C 38 42.192 41.215 0.977 1
1 467 . 2 1 1 A 38 38 LEU N N 38 115.729 115.596 0.133 1
1 468 . 2 1 1 A 39 39 ILE H H 39 6.958 7.601 -0.643 1
1 469 . 2 1 1 A 39 39 ILE HA H 39 3.252 3.782 -0.530 1
1 479 . 2 1 1 A 39 39 ILE C C 39 177.100 177.087 0.013 1
1 480 . 2 1 1 A 39 39 ILE CA C 39 63.952 63.036 0.916 1
1 481 . 2 1 1 A 39 39 ILE CB C 39 36.338 37.603 -1.265 1
1 485 . 2 1 1 A 39 39 ILE N N 39 118.446 122.031 -3.585 1
1 486 . 2 1 1 A 40 40 GLY H H 40 8.877 9.013 -0.136 1
1 487 . 2 1 1 A 40 40 GLY HA2 H 40 4.518 3.913 0.605 1
1 488 . 2 1 1 A 40 40 GLY HA3 H 40 3.611 3.918 -0.307 1
1 489 . 2 1 1 A 40 40 GLY C C 40 174.600 174.396 0.204 1
1 490 . 2 1 1 A 40 40 GLY CA C 40 44.763 45.313 -0.550 1
1 491 . 2 1 1 A 40 40 GLY N N 40 115.966 117.832 -1.866 1
1 492 . 2 1 1 A 41 41 ARG H H 41 7.939 7.834 0.105 1
1 493 . 2 1 1 A 41 41 ARG HA H 41 4.481 4.350 0.131 1
1 500 . 2 1 1 A 41 41 ARG C C 41 175.000 175.046 -0.046 1
1 501 . 2 1 1 A 41 41 ARG CA C 41 56.298 55.797 0.501 1
1 502 . 2 1 1 A 41 41 ARG CB C 41 30.619 31.523 -0.904 1
1 505 . 2 1 1 A 41 41 ARG N N 41 118.629 122.419 -3.790 1
1 506 . 2 1 1 A 42 42 LEU H H 42 8.400 8.353 0.047 1
1 507 . 2 1 1 A 42 42 LEU HA H 42 4.773 4.693 0.080 1
1 517 . 2 1 1 A 42 42 LEU C C 42 175.200 175.487 -0.287 1
1 518 . 2 1 1 A 42 42 LEU CA C 42 54.561 54.226 0.335 1
1 519 . 2 1 1 A 42 42 LEU CB C 42 44.111 43.103 1.008 1
1 523 . 2 1 1 A 42 42 LEU N N 42 121.347 126.535 -5.188 1
1 524 . 2 1 1 A 43 43 VAL H H 43 8.189 8.546 -0.357 1
1 525 . 2 1 1 A 43 43 VAL HA H 43 5.045 4.566 0.479 1
1 533 . 2 1 1 A 43 43 VAL C C 43 173.800 174.630 -0.830 1
1 534 . 2 1 1 A 43 43 VAL CA C 43 59.401 61.357 -1.956 1
1 535 . 2 1 1 A 43 43 VAL CB C 43 34.438 32.656 1.782 1
1 538 . 2 1 1 A 43 43 VAL N N 43 120.875 125.040 -4.165 1
1 539 . 2 1 1 A 44 44 LEU H H 44 9.320 8.811 0.509 1
1 540 . 2 1 1 A 44 44 LEU HA H 44 5.371 5.194 0.177 1
1 550 . 2 1 1 A 44 44 LEU C C 44 176.600 174.965 1.635 1
1 551 . 2 1 1 A 44 44 LEU CA C 44 53.600 53.494 0.106 1
1 552 . 2 1 1 A 44 44 LEU CB C 44 44.381 44.082 0.299 1
1 556 . 2 1 1 A 44 44 LEU N N 44 124.820 128.840 -4.020 1
1 557 . 2 1 1 A 45 45 TRP H H 45 9.251 8.956 0.295 1
1 558 . 2 1 1 A 45 45 TRP HA H 45 5.023 5.229 -0.206 1
1 561 . 2 1 1 A 45 45 TRP C C 45 173.100 174.876 -1.776 1
1 562 . 2 1 1 A 45 45 TRP CA C 45 57.182 55.320 1.862 1
1 563 . 2 1 1 A 45 45 TRP CB C 45 31.353 31.376 -0.023 1
1 564 . 2 1 1 A 45 45 TRP N N 45 125.368 130.066 -4.698 1
1 565 . 2 1 1 A 46 46 LYS H H 46 8.064 8.693 -0.629 1
1 566 . 2 1 1 A 46 46 LYS HA H 46 4.314 4.408 -0.094 1
1 575 . 2 1 1 A 46 46 LYS C C 46 173.800 175.746 -1.946 1
1 576 . 2 1 1 A 46 46 LYS CA C 46 55.132 55.497 -0.365 1
1 577 . 2 1 1 A 46 46 LYS CB C 46 32.714 32.885 -0.171 1
1 580 . 2 1 1 A 46 46 LYS N N 46 129.540 130.069 -0.529 1
1 581 . 2 1 1 A 47 47 SER H H 47 8.208 7.735 0.473 1
1 582 . 2 1 1 A 47 47 SER HA H 47 3.245 4.017 -0.772 1
1 585 . 2 1 1 A 47 47 SER CA C 47 56.564 56.053 0.511 1
1 586 . 2 1 1 A 47 47 SER CB C 47 63.584 62.951 0.633 1
1 587 . 2 1 1 A 47 47 SER N N 47 124.549 121.937 2.612 1
1 588 . 2 1 1 A 48 48 PRO HA H 48 4.286 4.331 -0.045 1
1 595 . 2 1 1 A 48 48 PRO C C 48 177.500 177.586 -0.086 1
1 596 . 2 1 1 A 48 48 PRO CA C 48 65.461 65.257 0.204 1
1 597 . 2 1 1 A 48 48 PRO CB C 48 31.723 31.579 0.144 1
1 600 . 2 1 1 A 49 49 SER H H 49 7.754 7.769 -0.015 1
1 601 . 2 1 1 A 49 49 SER HA H 49 4.414 4.502 -0.088 1
1 604 . 2 1 1 A 49 49 SER C C 49 175.200 174.260 0.940 1
1 605 . 2 1 1 A 49 49 SER CA C 49 58.552 58.079 0.473 1
1 606 . 2 1 1 A 49 49 SER CB C 49 63.820 63.218 0.602 1
1 607 . 2 1 1 A 49 49 SER N N 49 109.700 112.332 -2.632 1
1 608 . 2 1 1 A 50 50 GLY H H 50 8.194 8.508 -0.314 1
1 609 . 2 1 1 A 50 50 GLY HA2 H 50 3.314 3.864 -0.550 1
1 610 . 2 1 1 A 50 50 GLY HA3 H 50 4.354 3.884 0.470 1
1 611 . 2 1 1 A 50 50 GLY C C 50 173.700 173.949 -0.249 1
1 612 . 2 1 1 A 50 50 GLY CA C 50 45.031 45.980 -0.949 1
1 613 . 2 1 1 A 50 50 GLY N N 50 111.568 109.619 1.949 1
1 614 . 2 1 1 A 51 51 LYS H H 51 7.246 7.867 -0.621 1
1 615 . 2 1 1 A 51 51 LYS HA H 51 4.246 4.305 -0.059 1
1 624 . 2 1 1 A 51 51 LYS C C 51 175.900 175.294 0.606 1
1 625 . 2 1 1 A 51 51 LYS CA C 51 55.948 55.778 0.170 1
1 626 . 2 1 1 A 51 51 LYS CB C 51 32.893 32.503 0.390 1
1 630 . 2 1 1 A 51 51 LYS N N 51 120.424 121.845 -1.421 1
1 631 . 2 1 1 A 52 52 ILE H H 52 8.718 8.636 0.082 1
1 632 . 2 1 1 A 52 52 ILE HA H 52 4.670 4.235 0.435 1
1 642 . 2 1 1 A 52 52 ILE C C 52 176.100 175.355 0.745 1
1 643 . 2 1 1 A 52 52 ILE CA C 52 60.261 60.487 -0.226 1
1 644 . 2 1 1 A 52 52 ILE CB C 52 38.268 37.059 1.209 1
1 648 . 2 1 1 A 52 52 ILE N N 52 125.588 128.479 -2.891 1
1 649 . 2 1 1 A 53 53 LEU H H 53 9.558 8.757 0.801 1
1 650 . 2 1 1 A 53 53 LEU HA H 53 4.930 5.181 -0.251 1
1 660 . 2 1 1 A 53 53 LEU C C 53 175.800 176.136 -0.336 1
1 661 . 2 1 1 A 53 53 LEU CA C 53 54.305 53.223 1.082 1
1 662 . 2 1 1 A 53 53 LEU CB C 53 44.080 45.030 -0.950 1
1 666 . 2 1 1 A 53 53 LEU N N 53 131.583 128.911 2.672 1
1 667 . 2 1 1 A 54 54 LYS H H 54 8.746 9.031 -0.285 1
1 668 . 2 1 1 A 54 54 LYS HA H 54 5.463 5.489 -0.026 1
1 677 . 2 1 1 A 54 54 LYS C C 54 176.200 174.775 1.425 1
1 678 . 2 1 1 A 54 54 LYS CA C 54 55.474 55.034 0.440 1
1 679 . 2 1 1 A 54 54 LYS CB C 54 35.349 35.674 -0.325 1
1 683 . 2 1 1 A 54 54 LYS N N 54 120.463 120.688 -0.225 1
1 684 . 2 1 1 A 55 55 GLY H H 55 9.217 8.938 0.279 1
1 685 . 2 1 1 A 55 55 GLY HA2 H 55 4.347 3.318 1.029 1
1 686 . 2 1 1 A 55 55 GLY HA3 H 55 1.960 3.886 -1.926 1
1 687 . 2 1 1 A 55 55 GLY C C 55 172.400 172.441 -0.041 1
1 688 . 2 1 1 A 55 55 GLY CA C 55 43.890 44.165 -0.275 1
1 689 . 2 1 1 A 55 55 GLY N N 55 114.284 109.685 4.599 1
1 690 . 2 1 1 A 56 56 LYS H H 56 8.015 8.124 -0.109 1
1 691 . 2 1 1 A 56 56 LYS HA H 56 5.145 4.841 0.304 1
1 700 . 2 1 1 A 56 56 LYS C C 56 176.000 174.910 1.090 1
1 701 . 2 1 1 A 56 56 LYS CA C 56 54.614 55.273 -0.659 1
1 702 . 2 1 1 A 56 56 LYS CB C 56 36.639 36.377 0.262 1
1 706 . 2 1 1 A 56 56 LYS N N 56 118.868 120.785 -1.917 1
1 707 . 2 1 1 A 57 57 ILE H H 57 8.693 8.826 -0.133 1
1 708 . 2 1 1 A 57 57 ILE HA H 57 4.149 4.284 -0.135 1
1 718 . 2 1 1 A 57 57 ILE C C 57 177.200 177.061 0.139 1
1 719 . 2 1 1 A 57 57 ILE CA C 57 62.915 62.108 0.807 1
1 720 . 2 1 1 A 57 57 ILE CB C 57 36.286 37.974 -1.688 1
1 724 . 2 1 1 A 57 57 ILE N N 57 124.413 127.476 -3.063 1
1 725 . 2 1 1 A 58 58 VAL H H 58 8.931 8.527 0.404 1
1 726 . 2 1 1 A 58 58 VAL HA H 58 4.652 4.364 0.288 1
1 734 . 2 1 1 A 58 58 VAL C C 58 175.500 176.336 -0.836 1
1 735 . 2 1 1 A 58 58 VAL CA C 58 62.104 62.488 -0.384 1
1 736 . 2 1 1 A 58 58 VAL CB C 58 34.118 33.027 1.091 1
1 739 . 2 1 1 A 58 58 VAL N N 58 122.666 120.722 1.944 1
1 740 . 2 1 1 A 59 59 ARG H H 59 7.628 7.634 -0.006 1
1 741 . 2 1 1 A 59 59 ARG HA H 59 4.667 4.865 -0.198 1
1 748 . 2 1 1 A 59 59 ARG C C 59 175.000 173.882 1.118 1
1 749 . 2 1 1 A 59 59 ARG CA C 59 55.579 54.485 1.094 1
1 750 . 2 1 1 A 59 59 ARG CB C 59 34.890 35.005 -0.115 1
1 753 . 2 1 1 A 59 59 ARG N N 59 117.696 120.304 -2.608 1
1 754 . 2 1 1 A 60 60 VAL H H 60 8.647 8.628 0.019 1
1 755 . 2 1 1 A 60 60 VAL HA H 60 4.405 4.626 -0.221 1
1 763 . 2 1 1 A 60 60 VAL C C 60 173.700 174.488 -0.788 1
1 764 . 2 1 1 A 60 60 VAL CA C 60 63.124 60.946 2.178 1
1 765 . 2 1 1 A 60 60 VAL CB C 60 32.087 32.764 -0.677 1
1 768 . 2 1 1 A 60 60 VAL N N 60 117.604 121.895 -4.291 1
1 769 . 2 1 1 A 61 61 HIS H H 61 8.397 8.916 -0.519 1
1 770 . 2 1 1 A 61 61 HIS HA H 61 4.796 4.976 -0.180 1
1 773 . 2 1 1 A 61 61 HIS C C 61 174.200 175.831 -1.631 1
1 774 . 2 1 1 A 61 61 HIS CA C 61 55.883 55.842 0.041 1
1 775 . 2 1 1 A 61 61 HIS CB C 61 33.995 31.996 1.999 1
1 776 . 2 1 1 A 61 61 HIS N N 61 124.046 130.021 -5.975 1
1 777 . 2 1 1 A 62 62 GLY H H 62 8.619 8.448 0.171 1
1 778 . 2 1 1 A 62 62 GLY HA2 H 62 4.014 3.720 0.294 1
1 779 . 2 1 1 A 62 62 GLY HA3 H 62 3.771 3.813 -0.042 1
1 780 . 2 1 1 A 62 62 GLY C C 62 176.300 174.742 1.558 1
1 781 . 2 1 1 A 62 62 GLY CA C 62 45.006 45.248 -0.242 1
1 782 . 2 1 1 A 62 62 GLY N N 62 114.965 114.773 0.192 1
1 783 . 2 1 1 A 63 63 THR H H 63 8.945 8.538 0.407 1
1 784 . 2 1 1 A 63 63 THR HA H 63 4.533 4.181 0.352 1
1 789 . 2 1 1 A 63 63 THR C C 63 175.200 174.246 0.954 1
1 790 . 2 1 1 A 63 63 THR CA C 63 61.793 64.405 -2.612 1
1 791 . 2 1 1 A 63 63 THR CB C 63 69.548 68.371 1.177 1
1 793 . 2 1 1 A 63 63 THR N N 63 111.112 114.067 -2.955 1
1 794 . 2 1 1 A 64 64 LYS H H 64 9.133 8.375 0.758 1
1 795 . 2 1 1 A 64 64 LYS HA H 64 4.588 4.454 0.134 1
1 802 . 2 1 1 A 64 64 LYS C C 64 175.500 175.918 -0.418 1
1 803 . 2 1 1 A 64 64 LYS CA C 64 55.231 55.817 -0.586 1
1 804 . 2 1 1 A 64 64 LYS CB C 64 32.452 30.703 1.749 1
1 807 . 2 1 1 A 64 64 LYS N N 64 122.500 123.568 -1.068 1
1 808 . 2 1 1 A 65 65 GLY H H 65 7.987 7.713 0.274 1
1 809 . 2 1 1 A 65 65 GLY HA2 H 65 4.500 4.174 0.326 1
1 810 . 2 1 1 A 65 65 GLY HA3 H 65 3.135 4.174 -1.039 1
1 811 . 2 1 1 A 65 65 GLY C C 65 171.300 172.594 -1.294 1
1 812 . 2 1 1 A 65 65 GLY CA C 65 44.920 45.979 -1.059 1
1 813 . 2 1 1 A 65 65 GLY N N 65 106.884 108.424 -1.540 1
1 814 . 2 1 1 A 66 66 ALA H H 66 7.671 8.340 -0.669 1
1 815 . 2 1 1 A 66 66 ALA HA H 66 4.911 4.425 0.486 1
1 819 . 2 1 1 A 66 66 ALA C C 66 177.400 176.704 0.696 1
1 820 . 2 1 1 A 66 66 ALA CA C 66 52.232 51.889 0.343 1
1 821 . 2 1 1 A 66 66 ALA CB C 66 18.719 20.040 -1.321 1
1 822 . 2 1 1 A 66 66 ALA N N 66 115.951 125.793 -9.842 1
1 823 . 2 1 1 A 67 67 VAL H H 67 8.951 8.695 0.256 1
1 824 . 2 1 1 A 67 67 VAL HA H 67 4.875 4.918 -0.043 1
1 832 . 2 1 1 A 67 67 VAL C C 67 173.400 174.009 -0.609 1
1 833 . 2 1 1 A 67 67 VAL CA C 67 59.368 59.210 0.158 1
1 834 . 2 1 1 A 67 67 VAL CB C 67 36.262 36.028 0.234 1
1 837 . 2 1 1 A 67 67 VAL N N 67 108.601 111.281 -2.680 1
1 838 . 2 1 1 A 68 68 ARG H H 68 9.043 9.001 0.042 1
1 839 . 2 1 1 A 68 68 ARG HA H 68 5.179 4.729 0.450 1
1 846 . 2 1 1 A 68 68 ARG C C 68 175.000 175.315 -0.315 1
1 847 . 2 1 1 A 68 68 ARG CA C 68 54.632 55.687 -1.055 1
1 848 . 2 1 1 A 68 68 ARG CB C 68 32.597 31.410 1.187 1
1 851 . 2 1 1 A 68 68 ARG N N 68 118.441 124.226 -5.785 1
1 852 . 2 1 1 A 69 69 ALA H H 69 9.561 8.837 0.724 1
1 853 . 2 1 1 A 69 69 ALA HA H 69 5.409 4.914 0.495 1
1 857 . 2 1 1 A 69 69 ALA C C 69 174.400 175.351 -0.951 1
1 858 . 2 1 1 A 69 69 ALA CA C 69 49.830 51.028 -1.198 1
1 859 . 2 1 1 A 69 69 ALA CB C 69 23.932 24.349 -0.417 1
1 860 . 2 1 1 A 69 69 ALA N N 69 126.495 126.488 0.007 1
1 861 . 2 1 1 A 70 70 ARG H H 70 8.692 8.733 -0.041 1
1 862 . 2 1 1 A 70 70 ARG HA H 70 5.169 4.908 0.261 1
1 869 . 2 1 1 A 70 70 ARG C C 70 175.700 174.327 1.373 1
1 870 . 2 1 1 A 70 70 ARG CA C 70 55.090 55.221 -0.131 1
1 871 . 2 1 1 A 70 70 ARG CB C 70 33.544 34.062 -0.518 1
1 874 . 2 1 1 A 70 70 ARG N N 70 122.321 120.121 2.200 1
1 875 . 2 1 1 A 71 71 PHE H H 71 9.442 9.404 0.038 1
1 876 . 2 1 1 A 71 71 PHE HA H 71 4.859 5.001 -0.142 1
1 879 . 2 1 1 A 71 71 PHE C C 71 175.700 175.844 -0.144 1
1 880 . 2 1 1 A 71 71 PHE CA C 71 57.465 57.070 0.395 1
1 881 . 2 1 1 A 71 71 PHE CB C 71 41.819 40.190 1.629 1
1 882 . 2 1 1 A 71 71 PHE N N 71 128.794 125.755 3.039 1
1 883 . 2 1 1 A 72 72 GLU H H 72 8.968 9.127 -0.159 1
1 884 . 2 1 1 A 72 72 GLU HA H 72 4.242 4.308 -0.066 1
1 889 . 2 1 1 A 72 72 GLU C C 72 176.500 178.161 -1.661 1
1 890 . 2 1 1 A 72 72 GLU CA C 72 58.604 58.707 -0.103 1
1 891 . 2 1 1 A 72 72 GLU CB C 72 30.263 29.780 0.483 1
1 893 . 2 1 1 A 72 72 GLU N N 72 121.197 124.972 -3.775 1
1 894 . 2 1 1 A 73 73 LYS H H 73 8.123 7.863 0.260 1
1 895 . 2 1 1 A 73 73 LYS HA H 73 4.514 4.214 0.300 1
1 904 . 2 1 1 A 73 73 LYS C C 73 175.300 176.766 -1.466 1
1 905 . 2 1 1 A 73 73 LYS CA C 73 54.839 58.128 -3.289 1
1 906 . 2 1 1 A 73 73 LYS CB C 73 34.555 32.894 1.661 1
1 910 . 2 1 1 A 73 73 LYS N N 73 117.266 117.936 -0.670 1
1 911 . 2 1 1 A 74 74 GLY H H 74 8.138 7.489 0.649 1
1 912 . 2 1 1 A 74 74 GLY HA2 H 74 3.733 4.030 -0.297 1
1 913 . 2 1 1 A 74 74 GLY HA3 H 74 3.734 4.053 -0.319 1
1 914 . 2 1 1 A 74 74 GLY C C 74 173.300 172.289 1.011 1
1 915 . 2 1 1 A 74 74 GLY CA C 74 45.289 44.424 0.865 1
1 916 . 2 1 1 A 74 74 GLY N N 74 105.973 103.867 2.106 1
1 917 . 2 1 1 A 75 75 LEU H H 75 7.924 8.244 -0.320 1
1 918 . 2 1 1 A 75 75 LEU HA H 75 4.337 4.765 -0.428 1
1 928 . 2 1 1 A 75 75 LEU CA C 75 52.387 52.620 -0.233 1
1 929 . 2 1 1 A 75 75 LEU CB C 75 41.391 42.310 -0.919 1
1 933 . 2 1 1 A 75 75 LEU N N 75 122.540 121.540 1.000 1
1 934 . 2 1 1 A 76 76 PRO HA H 76 4.527 4.495 0.032 1
1 941 . 2 1 1 A 76 76 PRO C C 76 176.700 177.280 -0.580 1
1 942 . 2 1 1 A 76 76 PRO CA C 76 62.467 63.475 -1.008 1
1 943 . 2 1 1 A 76 76 PRO CB C 76 32.055 31.782 0.273 1
1 946 . 2 1 1 A 77 77 GLY H H 77 8.346 8.452 -0.106 1
1 947 . 2 1 1 A 77 77 GLY HA2 H 77 3.912 3.950 -0.038 1
1 948 . 2 1 1 A 77 77 GLY HA3 H 77 3.836 3.955 -0.119 1
1 949 . 2 1 1 A 77 77 GLY C C 77 174.900 173.844 1.056 1
1 950 . 2 1 1 A 77 77 GLY CA C 77 46.447 46.481 -0.034 1
1 951 . 2 1 1 A 77 77 GLY N N 77 107.966 110.588 -2.622 1
1 952 . 2 1 1 A 78 78 GLN H H 78 8.226 8.453 -0.227 1
1 953 . 2 1 1 A 78 78 GLN HA H 78 4.244 4.613 -0.369 1
1 960 . 2 1 1 A 78 78 GLN C C 78 175.500 175.850 -0.350 1
1 961 . 2 1 1 A 78 78 GLN CA C 78 57.091 55.203 1.888 1
1 962 . 2 1 1 A 78 78 GLN CB C 78 28.933 29.362 -0.429 1
1 964 . 2 1 1 A 78 78 GLN N N 78 118.286 125.912 -7.626 1
1 966 . 2 1 1 A 79 79 ALA H H 79 7.890 8.453 -0.563 1
1 967 . 2 1 1 A 79 79 ALA HA H 79 4.211 4.715 -0.504 1
1 971 . 2 1 1 A 79 79 ALA C C 79 177.100 176.891 0.209 1
1 972 . 2 1 1 A 79 79 ALA CA C 79 52.573 51.574 0.999 1
1 973 . 2 1 1 A 79 79 ALA CB C 79 19.067 20.167 -1.100 1
1 974 . 2 1 1 A 79 79 ALA N N 79 122.012 129.350 -7.338 1
1 975 . 2 1 1 A 80 80 LEU H H 80 7.340 7.734 -0.394 1
1 976 . 2 1 1 A 80 80 LEU HA H 80 3.548 4.072 -0.524 1
1 986 . 2 1 1 A 80 80 LEU C C 80 178.200 177.307 0.893 1
1 987 . 2 1 1 A 80 80 LEU CA C 80 57.059 55.551 1.508 1
1 988 . 2 1 1 A 80 80 LEU CB C 80 41.010 41.572 -0.562 1
1 992 . 2 1 1 A 80 80 LEU N N 80 117.413 121.046 -3.633 1
1 993 . 2 1 1 A 81 81 GLY H H 81 8.704 8.263 0.441 1
1 994 . 2 1 1 A 81 81 GLY HA2 H 81 3.477 4.043 -0.566 1
1 995 . 2 1 1 A 81 81 GLY HA3 H 81 4.176 4.079 0.097 1
1 996 . 2 1 1 A 81 81 GLY C C 81 173.200 174.290 -1.090 1
1 997 . 2 1 1 A 81 81 GLY CA C 81 45.500 45.004 0.496 1
1 998 . 2 1 1 A 81 81 GLY N N 81 113.076 113.425 -0.349 1
1 999 . 2 1 1 A 82 82 ASP H H 82 8.092 7.796 0.296 1
1 1000 . 2 1 1 A 82 82 ASP HA H 82 4.711 4.741 -0.030 1
1 1003 . 2 1 1 A 82 82 ASP C C 82 175.400 175.682 -0.282 1
1 1004 . 2 1 1 A 82 82 ASP CA C 82 53.447 54.457 -1.010 1
1 1005 . 2 1 1 A 82 82 ASP CB C 82 42.306 41.739 0.567 1
1 1006 . 2 1 1 A 82 82 ASP N N 82 120.648 122.148 -1.500 1
1 1007 . 2 1 1 A 83 83 TYR H H 83 8.637 8.727 -0.090 1
1 1008 . 2 1 1 A 83 83 TYR HA H 83 5.725 4.587 1.138 1
1 1011 . 2 1 1 A 83 83 TYR C C 83 176.800 175.982 0.818 1
1 1012 . 2 1 1 A 83 83 TYR CA C 83 57.359 59.330 -1.971 1
1 1013 . 2 1 1 A 83 83 TYR CB C 83 40.594 39.135 1.459 1
1 1014 . 2 1 1 A 83 83 TYR N N 83 117.015 126.143 -9.128 1
1 1015 . 2 1 1 A 84 84 VAL H H 84 8.747 8.263 0.484 1
1 1016 . 2 1 1 A 84 84 VAL HA H 84 5.006 4.883 0.123 1
1 1024 . 2 1 1 A 84 84 VAL C C 84 175.200 174.935 0.265 1
1 1025 . 2 1 1 A 84 84 VAL CA C 84 58.855 60.177 -1.322 1
1 1026 . 2 1 1 A 84 84 VAL CB C 84 35.371 33.321 2.050 1
1 1029 . 2 1 1 A 84 84 VAL N N 84 111.283 119.208 -7.925 1
1 1030 . 2 1 1 A 85 85 GLU H H 85 8.384 8.796 -0.412 1
1 1031 . 2 1 1 A 85 85 GLU HA H 85 5.129 5.289 -0.160 1
1 1036 . 2 1 1 A 85 85 GLU C C 85 174.900 174.949 -0.049 1
1 1037 . 2 1 1 A 85 85 GLU CA C 85 55.209 54.924 0.285 1
1 1038 . 2 1 1 A 85 85 GLU CB C 85 33.531 34.218 -0.687 1
1 1040 . 2 1 1 A 85 85 GLU N N 85 118.476 120.597 -2.121 1
1 1041 . 2 1 1 A 86 86 ILE H H 86 9.344 8.694 0.650 1
1 1042 . 2 1 1 A 86 86 ILE HA H 86 4.951 4.557 0.394 1
1 1052 . 2 1 1 A 86 86 ILE C C 86 176.000 174.901 1.099 1
1 1053 . 2 1 1 A 86 86 ILE CA C 86 60.535 60.647 -0.112 1
1 1054 . 2 1 1 A 86 86 ILE CB C 86 39.154 37.324 1.830 1
1 1058 . 2 1 1 A 86 86 ILE N N 86 124.495 122.854 1.641 1
1 1 . 3 1 1 A 2 2 ARG HA H 2 5.159 4.940 0.219 1
1 8 . 3 1 1 A 2 2 ARG C C 2 175.500 175.247 0.253 1
1 9 . 3 1 1 A 2 2 ARG CA C 2 55.183 54.716 0.467 1
1 10 . 3 1 1 A 2 2 ARG CB C 2 32.737 32.503 0.234 1
1 13 . 3 1 1 A 3 3 ILE H H 3 8.800 8.620 0.180 1
1 14 . 3 1 1 A 3 3 ILE HA H 3 4.674 4.924 -0.250 1
1 24 . 3 1 1 A 3 3 ILE C C 3 175.000 174.100 0.900 1
1 25 . 3 1 1 A 3 3 ILE CA C 3 60.050 59.569 0.481 1
1 26 . 3 1 1 A 3 3 ILE CB C 3 41.249 42.679 -1.430 1
1 30 . 3 1 1 A 3 3 ILE N N 3 119.700 119.888 -0.188 1
1 31 . 3 1 1 A 4 4 LYS H H 4 8.864 8.763 0.101 1
1 32 . 3 1 1 A 4 4 LYS HA H 4 5.180 5.218 -0.038 1
1 41 . 3 1 1 A 4 4 LYS C C 4 176.800 175.107 1.693 1
1 42 . 3 1 1 A 4 4 LYS CA C 4 55.798 54.776 1.022 1
1 43 . 3 1 1 A 4 4 LYS CB C 4 35.471 34.533 0.938 1
1 47 . 3 1 1 A 4 4 LYS N N 4 123.785 120.555 3.230 1
1 48 . 3 1 1 A 5 5 GLY H H 5 8.662 8.781 -0.119 1
1 49 . 3 1 1 A 5 5 GLY HA2 H 5 3.122 4.042 -0.920 1
1 50 . 3 1 1 A 5 5 GLY HA3 H 5 5.139 4.099 1.040 1
1 51 . 3 1 1 A 5 5 GLY C C 5 170.800 172.786 -1.986 1
1 52 . 3 1 1 A 5 5 GLY CA C 5 44.967 44.179 0.788 1
1 53 . 3 1 1 A 5 5 GLY N N 5 107.023 109.781 -2.758 1
1 54 . 3 1 1 A 6 6 VAL H H 6 8.168 7.985 0.183 1
1 55 . 3 1 1 A 6 6 VAL HA H 6 4.936 4.521 0.415 1
1 63 . 3 1 1 A 6 6 VAL C C 6 175.100 174.882 0.218 1
1 64 . 3 1 1 A 6 6 VAL CA C 6 60.066 60.576 -0.510 1
1 65 . 3 1 1 A 6 6 VAL CB C 6 35.501 35.827 -0.326 1
1 68 . 3 1 1 A 6 6 VAL N N 6 118.930 119.972 -1.042 1
1 69 . 3 1 1 A 7 7 VAL H H 7 8.663 9.021 -0.358 1
1 70 . 3 1 1 A 7 7 VAL HA H 7 3.771 4.070 -0.299 1
1 78 . 3 1 1 A 7 7 VAL C C 7 176.020 175.554 0.466 1
1 79 . 3 1 1 A 7 7 VAL CA C 7 63.861 63.397 0.464 1
1 80 . 3 1 1 A 7 7 VAL CB C 7 31.549 32.061 -0.512 1
1 83 . 3 1 1 A 7 7 VAL N N 7 126.733 126.399 0.334 1
1 84 . 3 1 1 A 8 8 LEU H H 8 9.077 8.762 0.315 1
1 85 . 3 1 1 A 8 8 LEU HA H 8 4.396 4.447 -0.051 1
1 95 . 3 1 1 A 8 8 LEU C C 8 177.000 176.753 0.247 1
1 96 . 3 1 1 A 8 8 LEU CA C 8 55.871 55.874 -0.003 1
1 97 . 3 1 1 A 8 8 LEU CB C 8 43.337 42.971 0.366 1
1 101 . 3 1 1 A 8 8 LEU N N 8 128.947 127.849 1.098 1
1 102 . 3 1 1 A 9 9 SER H H 9 7.409 7.815 -0.406 1
1 103 . 3 1 1 A 9 9 SER HA H 9 4.347 4.920 -0.573 1
1 106 . 3 1 1 A 9 9 SER C C 9 172.900 171.863 1.037 1
1 107 . 3 1 1 A 9 9 SER CA C 9 57.866 57.539 0.327 1
1 108 . 3 1 1 A 9 9 SER CB C 9 64.173 65.891 -1.718 1
1 109 . 3 1 1 A 9 9 SER N N 9 108.469 109.815 -1.346 1
1 110 . 3 1 1 A 10 10 TYR H H 10 8.464 9.036 -0.572 1
1 111 . 3 1 1 A 10 10 TYR HA H 10 5.064 5.022 0.042 1
1 114 . 3 1 1 A 10 10 TYR C C 10 175.400 173.876 1.524 1
1 115 . 3 1 1 A 10 10 TYR CA C 10 57.258 56.409 0.849 1
1 116 . 3 1 1 A 10 10 TYR CB C 10 40.325 39.868 0.457 1
1 117 . 3 1 1 A 10 10 TYR N N 10 121.190 127.139 -5.949 1
1 118 . 3 1 1 A 11 11 ARG H H 11 8.545 8.685 -0.140 1
1 119 . 3 1 1 A 11 11 ARG HA H 11 4.441 4.406 0.035 1
1 126 . 3 1 1 A 11 11 ARG C C 11 174.800 176.097 -1.297 1
1 127 . 3 1 1 A 11 11 ARG CA C 11 55.308 55.214 0.094 1
1 128 . 3 1 1 A 11 11 ARG CB C 11 31.551 31.565 -0.014 1
1 131 . 3 1 1 A 11 11 ARG N N 11 124.044 129.587 -5.543 1
1 132 . 3 1 1 A 12 12 ARG H H 12 8.562 8.152 0.410 1
1 133 . 3 1 1 A 12 12 ARG HA H 12 4.577 4.352 0.225 1
1 140 . 3 1 1 A 12 12 ARG C C 12 176.100 176.332 -0.232 1
1 141 . 3 1 1 A 12 12 ARG CA C 12 55.803 55.176 0.627 1
1 142 . 3 1 1 A 12 12 ARG CB C 12 31.265 29.331 1.934 1
1 145 . 3 1 1 A 12 12 ARG N N 12 124.990 125.171 -0.181 1
1 146 . 3 1 1 A 13 13 SER H H 13 8.485 8.011 0.474 1
1 147 . 3 1 1 A 13 13 SER HA H 13 4.542 4.114 0.428 1
1 150 . 3 1 1 A 13 13 SER C C 13 175.000 174.240 0.760 1
1 151 . 3 1 1 A 13 13 SER CA C 13 57.790 58.978 -1.188 1
1 152 . 3 1 1 A 13 13 SER CB C 13 64.666 61.282 3.384 1
1 153 . 3 1 1 A 13 13 SER N N 13 118.058 114.097 3.961 1
1 154 . 3 1 1 A 14 14 LYS H H 14 8.663 7.798 0.865 1
1 155 . 3 1 1 A 14 14 LYS HA H 14 4.178 3.909 0.269 1
1 164 . 3 1 1 A 14 14 LYS C C 14 177.400 178.872 -1.472 1
1 165 . 3 1 1 A 14 14 LYS CA C 14 57.997 59.616 -1.619 1
1 166 . 3 1 1 A 14 14 LYS CB C 14 32.686 32.393 0.293 1
1 170 . 3 1 1 A 14 14 LYS N N 14 123.187 123.790 -0.603 1
1 171 . 3 1 1 A 15 15 GLU H H 15 8.525 8.124 0.401 1
1 172 . 3 1 1 A 15 15 GLU HA H 15 4.217 4.250 -0.033 1
1 177 . 3 1 1 A 15 15 GLU C C 15 176.300 176.712 -0.412 1
1 178 . 3 1 1 A 15 15 GLU CA C 15 57.504 58.362 -0.858 1
1 179 . 3 1 1 A 15 15 GLU CB C 15 29.654 29.766 -0.112 1
1 181 . 3 1 1 A 15 15 GLU N N 15 118.364 117.767 0.597 1
1 182 . 3 1 1 A 16 16 ASN H H 16 7.985 7.937 0.048 1
1 183 . 3 1 1 A 16 16 ASN HA H 16 4.690 4.911 -0.221 1
1 188 . 3 1 1 A 16 16 ASN C C 16 175.100 174.755 0.345 1
1 189 . 3 1 1 A 16 16 ASN CA C 16 53.363 53.176 0.187 1
1 190 . 3 1 1 A 16 16 ASN CB C 16 39.022 40.003 -0.981 1
1 191 . 3 1 1 A 16 16 ASN N N 16 117.467 114.391 3.076 1
1 193 . 3 1 1 A 17 17 GLN H H 17 8.384 9.092 -0.708 1
1 194 . 3 1 1 A 17 17 GLN HA H 17 4.256 4.582 -0.326 1
1 201 . 3 1 1 A 17 17 GLN C C 17 175.800 175.742 0.058 1
1 202 . 3 1 1 A 17 17 GLN CA C 17 56.678 57.211 -0.533 1
1 203 . 3 1 1 A 17 17 GLN CB C 17 29.071 31.557 -2.486 1
1 205 . 3 1 1 A 17 17 GLN N N 17 119.788 126.106 -6.318 1
1 207 . 3 1 1 A 18 18 HIS H H 18 8.209 7.440 0.769 1
1 208 . 3 1 1 A 18 18 HIS HA H 18 4.683 4.876 -0.193 1
1 211 . 3 1 1 A 18 18 HIS C C 18 175.080 175.199 -0.119 1
1 212 . 3 1 1 A 18 18 HIS CA C 18 55.839 57.151 -1.312 1
1 213 . 3 1 1 A 18 18 HIS CB C 18 30.460 31.711 -1.251 1
1 214 . 3 1 1 A 18 18 HIS N N 18 117.984 116.599 1.385 1
1 215 . 3 1 1 A 19 19 ASN H H 19 8.430 7.868 0.562 1
1 216 . 3 1 1 A 19 19 ASN HA H 19 4.813 4.688 0.125 1
1 221 . 3 1 1 A 19 19 ASN C C 19 174.300 174.683 -0.383 1
1 222 . 3 1 1 A 19 19 ASN CA C 19 53.172 53.574 -0.402 1
1 223 . 3 1 1 A 19 19 ASN CB C 19 38.503 40.478 -1.975 1
1 224 . 3 1 1 A 19 19 ASN N N 19 122.300 113.393 8.907 1
1 226 . 3 1 1 A 20 20 ASN H H 20 8.353 7.840 0.513 1
1 227 . 3 1 1 A 20 20 ASN HA H 20 4.828 5.148 -0.320 1
1 232 . 3 1 1 A 20 20 ASN C C 20 174.000 173.704 0.296 1
1 233 . 3 1 1 A 20 20 ASN CA C 20 53.292 52.586 0.706 1
1 234 . 3 1 1 A 20 20 ASN CB C 20 38.896 41.471 -2.575 1
1 235 . 3 1 1 A 20 20 ASN N N 20 117.387 115.930 1.457 1
1 237 . 3 1 1 A 21 21 VAL H H 21 8.285 8.887 -0.602 1
1 238 . 3 1 1 A 21 21 VAL HA H 21 5.090 4.918 0.172 1
1 246 . 3 1 1 A 21 21 VAL C C 21 174.900 175.040 -0.140 1
1 247 . 3 1 1 A 21 21 VAL CA C 21 61.409 60.921 0.488 1
1 248 . 3 1 1 A 21 21 VAL CB C 21 33.979 34.130 -0.151 1
1 251 . 3 1 1 A 21 21 VAL N N 21 120.718 125.967 -5.249 1
1 252 . 3 1 1 A 22 22 MET H H 22 9.083 8.644 0.439 1
1 253 . 3 1 1 A 22 22 MET HA H 22 5.073 5.106 -0.033 1
1 258 . 3 1 1 A 22 22 MET C C 22 174.600 174.432 0.168 1
1 259 . 3 1 1 A 22 22 MET CA C 22 53.096 54.715 -1.619 1
1 260 . 3 1 1 A 22 22 MET CB C 22 36.612 35.958 0.654 1
1 262 . 3 1 1 A 22 22 MET N N 22 123.693 125.400 -1.707 1
1 263 . 3 1 1 A 23 23 ILE H H 23 8.761 8.885 -0.124 1
1 264 . 3 1 1 A 23 23 ILE HA H 23 4.738 4.988 -0.250 1
1 274 . 3 1 1 A 23 23 ILE C C 23 175.500 175.310 0.190 1
1 275 . 3 1 1 A 23 23 ILE CA C 23 59.230 60.418 -1.188 1
1 276 . 3 1 1 A 23 23 ILE CB C 23 36.022 38.932 -2.910 1
1 280 . 3 1 1 A 23 23 ILE N N 23 123.898 126.760 -2.862 1
1 281 . 3 1 1 A 24 24 ILE H H 24 9.048 9.190 -0.142 1
1 282 . 3 1 1 A 24 24 ILE HA H 24 4.881 4.917 -0.036 1
1 292 . 3 1 1 A 24 24 ILE C C 24 174.200 175.173 -0.973 1
1 293 . 3 1 1 A 24 24 ILE CA C 24 58.256 59.907 -1.651 1
1 294 . 3 1 1 A 24 24 ILE CB C 24 42.799 42.597 0.202 1
1 298 . 3 1 1 A 24 24 ILE N N 24 126.877 127.858 -0.981 1
1 299 . 3 1 1 A 25 25 LYS H H 25 9.205 8.437 0.768 1
1 300 . 3 1 1 A 25 25 LYS HA H 25 5.109 4.857 0.252 1
1 305 . 3 1 1 A 25 25 LYS CA C 25 50.908 53.029 -2.121 1
1 306 . 3 1 1 A 25 25 LYS CB C 25 34.893 35.100 -0.207 1
1 307 . 3 1 1 A 25 25 LYS N N 25 127.192 126.055 1.137 1
1 308 . 3 1 1 A 26 26 PRO HA H 26 4.823 4.466 0.357 1
1 315 . 3 1 1 A 26 26 PRO C C 26 177.300 177.152 0.148 1
1 316 . 3 1 1 A 26 26 PRO CA C 26 61.185 62.446 -1.261 1
1 317 . 3 1 1 A 26 26 PRO CB C 26 30.625 30.234 0.391 1
1 320 . 3 1 1 A 27 27 LEU H H 27 8.861 8.546 0.315 1
1 321 . 3 1 1 A 27 27 LEU HA H 27 4.101 4.107 -0.006 1
1 331 . 3 1 1 A 27 27 LEU C C 27 177.800 176.665 1.135 1
1 332 . 3 1 1 A 27 27 LEU CA C 27 57.590 56.553 1.037 1
1 333 . 3 1 1 A 27 27 LEU CB C 27 40.721 41.585 -0.864 1
1 337 . 3 1 1 A 27 27 LEU N N 27 127.814 125.283 2.531 1
1 338 . 3 1 1 A 28 28 ASP H H 28 8.818 8.831 -0.013 1
1 339 . 3 1 1 A 28 28 ASP HA H 28 4.477 4.407 0.070 1
1 342 . 3 1 1 A 28 28 ASP C C 28 174.500 176.397 -1.897 1
1 343 . 3 1 1 A 28 28 ASP CA C 28 55.417 57.112 -1.695 1
1 344 . 3 1 1 A 28 28 ASP CB C 28 40.527 40.644 -0.117 1
1 345 . 3 1 1 A 28 28 ASP N N 28 114.920 125.618 -10.698 1
1 346 . 3 1 1 A 29 29 VAL H H 29 7.004 7.863 -0.859 1
1 347 . 3 1 1 A 29 29 VAL HA H 29 4.164 3.798 0.366 1
1 355 . 3 1 1 A 29 29 VAL C C 29 175.600 176.089 -0.489 1
1 356 . 3 1 1 A 29 29 VAL CA C 29 62.553 63.178 -0.625 1
1 357 . 3 1 1 A 29 29 VAL CB C 29 32.711 29.680 3.031 1
1 360 . 3 1 1 A 29 29 VAL N N 29 119.689 118.126 1.563 1
1 361 . 3 1 1 A 30 30 ASN H H 30 8.802 8.318 0.484 1
1 362 . 3 1 1 A 30 30 ASN HA H 30 5.409 5.024 0.385 1
1 367 . 3 1 1 A 30 30 ASN C C 30 173.400 174.478 -1.078 1
1 368 . 3 1 1 A 30 30 ASN CA C 30 53.262 53.346 -0.084 1
1 369 . 3 1 1 A 30 30 ASN CB C 30 41.186 37.932 3.254 1
1 370 . 3 1 1 A 30 30 ASN N N 30 122.479 118.426 4.053 1
1 372 . 3 1 1 A 31 31 SER H H 31 7.329 7.716 -0.387 1
1 373 . 3 1 1 A 31 31 SER HA H 31 4.878 4.665 0.213 1
1 376 . 3 1 1 A 31 31 SER C C 31 173.700 174.565 -0.865 1
1 377 . 3 1 1 A 31 31 SER CA C 31 56.428 57.178 -0.750 1
1 378 . 3 1 1 A 31 31 SER CB C 31 67.086 66.159 0.927 1
1 379 . 3 1 1 A 31 31 SER N N 31 109.583 111.461 -1.878 1
1 380 . 3 1 1 A 32 32 ARG H H 32 8.688 8.805 -0.117 1
1 381 . 3 1 1 A 32 32 ARG HA H 32 4.229 3.931 0.298 1
1 388 . 3 1 1 A 32 32 ARG C C 32 178.300 177.301 0.999 1
1 389 . 3 1 1 A 32 32 ARG CA C 32 58.914 59.343 -0.429 1
1 390 . 3 1 1 A 32 32 ARG CB C 32 30.785 29.861 0.924 1
1 393 . 3 1 1 A 32 32 ARG N N 32 123.538 123.159 0.379 1
1 394 . 3 1 1 A 33 33 GLU H H 33 9.157 8.233 0.924 1
1 395 . 3 1 1 A 33 33 GLU HA H 33 4.012 4.070 -0.058 1
1 400 . 3 1 1 A 33 33 GLU C C 33 179.900 179.171 0.729 1
1 401 . 3 1 1 A 33 33 GLU CA C 33 60.615 59.393 1.222 1
1 402 . 3 1 1 A 33 33 GLU CB C 33 28.895 28.989 -0.094 1
1 404 . 3 1 1 A 33 33 GLU N N 33 120.517 119.001 1.516 1
1 405 . 3 1 1 A 34 34 GLU H H 34 7.623 8.362 -0.739 1
1 406 . 3 1 1 A 34 34 GLU HA H 34 4.096 4.021 0.075 1
1 411 . 3 1 1 A 34 34 GLU C C 34 179.100 179.004 0.096 1
1 412 . 3 1 1 A 34 34 GLU CA C 34 58.647 58.988 -0.341 1
1 413 . 3 1 1 A 34 34 GLU CB C 34 30.874 29.904 0.970 1
1 415 . 3 1 1 A 34 34 GLU N N 34 118.275 118.226 0.049 1
1 416 . 3 1 1 A 35 35 ALA H H 35 8.131 8.562 -0.431 1
1 417 . 3 1 1 A 35 35 ALA HA H 35 3.828 4.114 -0.286 1
1 421 . 3 1 1 A 35 35 ALA C C 35 179.800 179.440 0.360 1
1 422 . 3 1 1 A 35 35 ALA CA C 35 55.337 55.273 0.064 1
1 423 . 3 1 1 A 35 35 ALA CB C 35 18.361 18.634 -0.273 1
1 424 . 3 1 1 A 35 35 ALA N N 35 123.551 123.190 0.361 1
1 425 . 3 1 1 A 36 36 SER H H 36 8.279 8.830 -0.551 1
1 426 . 3 1 1 A 36 36 SER HA H 36 3.875 4.187 -0.312 1
1 429 . 3 1 1 A 36 36 SER C C 36 176.100 176.833 -0.733 1
1 430 . 3 1 1 A 36 36 SER CA C 36 61.573 60.967 0.606 1
1 431 . 3 1 1 A 36 36 SER CB C 36 63.126 62.911 0.215 1
1 432 . 3 1 1 A 36 36 SER N N 36 112.905 112.832 0.073 1
1 433 . 3 1 1 A 37 37 LYS H H 37 7.120 7.527 -0.407 1
1 434 . 3 1 1 A 37 37 LYS HA H 37 4.203 4.052 0.151 1
1 443 . 3 1 1 A 37 37 LYS C C 37 177.100 179.158 -2.058 1
1 444 . 3 1 1 A 37 37 LYS CA C 37 57.553 59.563 -2.010 1
1 445 . 3 1 1 A 37 37 LYS CB C 37 32.178 32.198 -0.020 1
1 449 . 3 1 1 A 37 37 LYS N N 37 119.081 121.625 -2.544 1
1 450 . 3 1 1 A 38 38 LEU H H 38 7.877 7.626 0.251 1
1 451 . 3 1 1 A 38 38 LEU HA H 38 4.138 4.254 -0.116 1
1 461 . 3 1 1 A 38 38 LEU C C 38 176.400 178.436 -2.036 1
1 462 . 3 1 1 A 38 38 LEU CA C 38 54.225 55.424 -1.199 1
1 463 . 3 1 1 A 38 38 LEU CB C 38 42.192 41.191 1.001 1
1 467 . 3 1 1 A 38 38 LEU N N 38 115.729 116.849 -1.120 1
1 468 . 3 1 1 A 39 39 ILE H H 39 6.958 7.700 -0.742 1
1 469 . 3 1 1 A 39 39 ILE HA H 39 3.252 3.947 -0.695 1
1 479 . 3 1 1 A 39 39 ILE C C 39 177.100 177.277 -0.177 1
1 480 . 3 1 1 A 39 39 ILE CA C 39 63.952 64.561 -0.609 1
1 481 . 3 1 1 A 39 39 ILE CB C 39 36.338 37.800 -1.462 1
1 485 . 3 1 1 A 39 39 ILE N N 39 118.446 120.733 -2.287 1
1 486 . 3 1 1 A 40 40 GLY H H 40 8.877 7.914 0.963 1
1 487 . 3 1 1 A 40 40 GLY HA2 H 40 4.518 3.954 0.564 1
1 488 . 3 1 1 A 40 40 GLY HA3 H 40 3.611 3.958 -0.347 1
1 489 . 3 1 1 A 40 40 GLY C C 40 174.600 174.208 0.392 1
1 490 . 3 1 1 A 40 40 GLY CA C 40 44.763 45.112 -0.349 1
1 491 . 3 1 1 A 40 40 GLY N N 40 115.966 108.536 7.430 1
1 492 . 3 1 1 A 41 41 ARG H H 41 7.939 8.295 -0.356 1
1 493 . 3 1 1 A 41 41 ARG HA H 41 4.481 4.422 0.059 1
1 500 . 3 1 1 A 41 41 ARG C C 41 175.000 174.611 0.389 1
1 501 . 3 1 1 A 41 41 ARG CA C 41 56.298 56.112 0.186 1
1 502 . 3 1 1 A 41 41 ARG CB C 41 30.619 31.909 -1.290 1
1 505 . 3 1 1 A 41 41 ARG N N 41 118.629 120.512 -1.883 1
1 506 . 3 1 1 A 42 42 LEU H H 42 8.400 8.580 -0.180 1
1 507 . 3 1 1 A 42 42 LEU HA H 42 4.773 5.067 -0.294 1
1 517 . 3 1 1 A 42 42 LEU C C 42 175.200 175.247 -0.047 1
1 518 . 3 1 1 A 42 42 LEU CA C 42 54.561 53.602 0.959 1
1 519 . 3 1 1 A 42 42 LEU CB C 42 44.111 45.633 -1.522 1
1 523 . 3 1 1 A 42 42 LEU N N 42 121.347 123.791 -2.444 1
1 524 . 3 1 1 A 43 43 VAL H H 43 8.189 8.739 -0.550 1
1 525 . 3 1 1 A 43 43 VAL HA H 43 5.045 4.586 0.459 1
1 533 . 3 1 1 A 43 43 VAL C C 43 173.800 174.454 -0.654 1
1 534 . 3 1 1 A 43 43 VAL CA C 43 59.401 61.306 -1.905 1
1 535 . 3 1 1 A 43 43 VAL CB C 43 34.438 32.694 1.744 1
1 538 . 3 1 1 A 43 43 VAL N N 43 120.875 124.054 -3.179 1
1 539 . 3 1 1 A 44 44 LEU H H 44 9.320 8.780 0.540 1
1 540 . 3 1 1 A 44 44 LEU HA H 44 5.371 5.149 0.222 1
1 550 . 3 1 1 A 44 44 LEU C C 44 176.600 175.508 1.092 1
1 551 . 3 1 1 A 44 44 LEU CA C 44 53.600 53.390 0.210 1
1 552 . 3 1 1 A 44 44 LEU CB C 44 44.381 44.220 0.161 1
1 556 . 3 1 1 A 44 44 LEU N N 44 124.820 128.969 -4.149 1
1 557 . 3 1 1 A 45 45 TRP H H 45 9.251 8.829 0.422 1
1 558 . 3 1 1 A 45 45 TRP HA H 45 5.023 4.877 0.146 1
1 561 . 3 1 1 A 45 45 TRP C C 45 173.100 175.064 -1.964 1
1 562 . 3 1 1 A 45 45 TRP CA C 45 57.182 56.103 1.079 1
1 563 . 3 1 1 A 45 45 TRP CB C 45 31.353 29.805 1.548 1
1 564 . 3 1 1 A 45 45 TRP N N 45 125.368 130.118 -4.750 1
1 565 . 3 1 1 A 46 46 LYS H H 46 8.064 8.545 -0.481 1
1 566 . 3 1 1 A 46 46 LYS HA H 46 4.314 4.487 -0.173 1
1 575 . 3 1 1 A 46 46 LYS C C 46 173.800 175.571 -1.771 1
1 576 . 3 1 1 A 46 46 LYS CA C 46 55.132 55.254 -0.122 1
1 577 . 3 1 1 A 46 46 LYS CB C 46 32.714 31.736 0.978 1
1 580 . 3 1 1 A 46 46 LYS N N 46 129.540 129.776 -0.236 1
1 581 . 3 1 1 A 47 47 SER H H 47 8.208 8.321 -0.113 1
1 582 . 3 1 1 A 47 47 SER HA H 47 3.245 4.183 -0.938 1
1 585 . 3 1 1 A 47 47 SER CA C 47 56.564 56.542 0.022 1
1 586 . 3 1 1 A 47 47 SER CB C 47 63.584 63.511 0.073 1
1 587 . 3 1 1 A 47 47 SER N N 47 124.549 120.396 4.153 1
1 588 . 3 1 1 A 48 48 PRO HA H 48 4.286 4.342 -0.056 1
1 595 . 3 1 1 A 48 48 PRO C C 48 177.500 177.895 -0.395 1
1 596 . 3 1 1 A 48 48 PRO CA C 48 65.461 65.183 0.278 1
1 597 . 3 1 1 A 48 48 PRO CB C 48 31.723 31.776 -0.053 1
1 600 . 3 1 1 A 49 49 SER H H 49 7.754 7.888 -0.134 1
1 601 . 3 1 1 A 49 49 SER HA H 49 4.414 4.210 0.204 1
1 604 . 3 1 1 A 49 49 SER C C 49 175.200 175.650 -0.450 1
1 605 . 3 1 1 A 49 49 SER CA C 49 58.552 58.821 -0.269 1
1 606 . 3 1 1 A 49 49 SER CB C 49 63.820 63.085 0.735 1
1 607 . 3 1 1 A 49 49 SER N N 49 109.700 110.922 -1.222 1
1 608 . 3 1 1 A 50 50 GLY H H 50 8.194 8.110 0.084 1
1 609 . 3 1 1 A 50 50 GLY HA2 H 50 3.314 3.919 -0.605 1
1 610 . 3 1 1 A 50 50 GLY HA3 H 50 4.354 3.931 0.423 1
1 611 . 3 1 1 A 50 50 GLY C C 50 173.700 174.473 -0.773 1
1 612 . 3 1 1 A 50 50 GLY CA C 50 45.031 45.483 -0.452 1
1 613 . 3 1 1 A 50 50 GLY N N 50 111.568 110.197 1.371 1
1 614 . 3 1 1 A 51 51 LYS H H 51 7.246 7.951 -0.705 1
1 615 . 3 1 1 A 51 51 LYS HA H 51 4.246 4.372 -0.126 1
1 624 . 3 1 1 A 51 51 LYS C C 51 175.900 175.969 -0.069 1
1 625 . 3 1 1 A 51 51 LYS CA C 51 55.948 55.791 0.157 1
1 626 . 3 1 1 A 51 51 LYS CB C 51 32.893 32.363 0.530 1
1 630 . 3 1 1 A 51 51 LYS N N 51 120.424 121.564 -1.140 1
1 631 . 3 1 1 A 52 52 ILE H H 52 8.718 8.475 0.243 1
1 632 . 3 1 1 A 52 52 ILE HA H 52 4.670 4.575 0.095 1
1 642 . 3 1 1 A 52 52 ILE C C 52 176.100 175.623 0.477 1
1 643 . 3 1 1 A 52 52 ILE CA C 52 60.261 60.688 -0.427 1
1 644 . 3 1 1 A 52 52 ILE CB C 52 38.268 37.562 0.706 1
1 648 . 3 1 1 A 52 52 ILE N N 52 125.588 127.045 -1.457 1
1 649 . 3 1 1 A 53 53 LEU H H 53 9.558 9.184 0.374 1
1 650 . 3 1 1 A 53 53 LEU HA H 53 4.930 5.115 -0.185 1
1 660 . 3 1 1 A 53 53 LEU C C 53 175.800 175.925 -0.125 1
1 661 . 3 1 1 A 53 53 LEU CA C 53 54.305 53.737 0.568 1
1 662 . 3 1 1 A 53 53 LEU CB C 53 44.080 43.232 0.848 1
1 666 . 3 1 1 A 53 53 LEU N N 53 131.583 129.100 2.483 1
1 667 . 3 1 1 A 54 54 LYS H H 54 8.746 8.709 0.037 1
1 668 . 3 1 1 A 54 54 LYS HA H 54 5.463 4.739 0.724 1
1 677 . 3 1 1 A 54 54 LYS C C 54 176.200 176.010 0.190 1
1 678 . 3 1 1 A 54 54 LYS CA C 54 55.474 55.218 0.256 1
1 679 . 3 1 1 A 54 54 LYS CB C 54 35.349 32.686 2.663 1
1 683 . 3 1 1 A 54 54 LYS N N 54 120.463 124.927 -4.464 1
1 684 . 3 1 1 A 55 55 GLY H H 55 9.217 8.841 0.376 1
1 685 . 3 1 1 A 55 55 GLY HA2 H 55 4.347 3.433 0.914 1
1 686 . 3 1 1 A 55 55 GLY HA3 H 55 1.960 3.535 -1.575 1
1 687 . 3 1 1 A 55 55 GLY C C 55 172.400 172.059 0.341 1
1 688 . 3 1 1 A 55 55 GLY CA C 55 43.890 43.816 0.074 1
1 689 . 3 1 1 A 55 55 GLY N N 55 114.284 112.510 1.774 1
1 690 . 3 1 1 A 56 56 LYS H H 56 8.015 8.075 -0.060 1
1 691 . 3 1 1 A 56 56 LYS HA H 56 5.145 4.783 0.362 1
1 700 . 3 1 1 A 56 56 LYS C C 56 176.000 174.679 1.321 1
1 701 . 3 1 1 A 56 56 LYS CA C 56 54.614 55.379 -0.765 1
1 702 . 3 1 1 A 56 56 LYS CB C 56 36.639 36.293 0.346 1
1 706 . 3 1 1 A 56 56 LYS N N 56 118.868 120.092 -1.224 1
1 707 . 3 1 1 A 57 57 ILE H H 57 8.693 8.301 0.392 1
1 708 . 3 1 1 A 57 57 ILE HA H 57 4.149 4.245 -0.096 1
1 718 . 3 1 1 A 57 57 ILE C C 57 177.200 177.082 0.118 1
1 719 . 3 1 1 A 57 57 ILE CA C 57 62.915 62.016 0.899 1
1 720 . 3 1 1 A 57 57 ILE CB C 57 36.286 37.978 -1.692 1
1 724 . 3 1 1 A 57 57 ILE N N 57 124.413 127.548 -3.135 1
1 725 . 3 1 1 A 58 58 VAL H H 58 8.931 8.594 0.337 1
1 726 . 3 1 1 A 58 58 VAL HA H 58 4.652 4.361 0.291 1
1 734 . 3 1 1 A 58 58 VAL C C 58 175.500 176.043 -0.543 1
1 735 . 3 1 1 A 58 58 VAL CA C 58 62.104 62.211 -0.107 1
1 736 . 3 1 1 A 58 58 VAL CB C 58 34.118 33.291 0.827 1
1 739 . 3 1 1 A 58 58 VAL N N 58 122.666 120.518 2.148 1
1 740 . 3 1 1 A 59 59 ARG H H 59 7.628 7.606 0.022 1
1 741 . 3 1 1 A 59 59 ARG HA H 59 4.667 4.657 0.010 1
1 748 . 3 1 1 A 59 59 ARG C C 59 175.000 173.539 1.461 1
1 749 . 3 1 1 A 59 59 ARG CA C 59 55.579 54.887 0.692 1
1 750 . 3 1 1 A 59 59 ARG CB C 59 34.890 32.784 2.106 1
1 753 . 3 1 1 A 59 59 ARG N N 59 117.696 118.549 -0.853 1
1 754 . 3 1 1 A 60 60 VAL H H 60 8.647 8.793 -0.146 1
1 755 . 3 1 1 A 60 60 VAL HA H 60 4.405 4.760 -0.355 1
1 763 . 3 1 1 A 60 60 VAL C C 60 173.700 174.647 -0.947 1
1 764 . 3 1 1 A 60 60 VAL CA C 60 63.124 60.380 2.744 1
1 765 . 3 1 1 A 60 60 VAL CB C 60 32.087 33.249 -1.162 1
1 768 . 3 1 1 A 60 60 VAL N N 60 117.604 122.341 -4.737 1
1 769 . 3 1 1 A 61 61 HIS H H 61 8.397 8.960 -0.563 1
1 770 . 3 1 1 A 61 61 HIS HA H 61 4.796 5.087 -0.291 1
1 773 . 3 1 1 A 61 61 HIS C C 61 174.200 174.713 -0.513 1
1 774 . 3 1 1 A 61 61 HIS CA C 61 55.883 54.459 1.424 1
1 775 . 3 1 1 A 61 61 HIS CB C 61 33.995 33.176 0.819 1
1 776 . 3 1 1 A 61 61 HIS N N 61 124.046 128.841 -4.795 1
1 777 . 3 1 1 A 62 62 GLY H H 62 8.619 8.269 0.350 1
1 778 . 3 1 1 A 62 62 GLY HA2 H 62 4.014 3.744 0.270 1
1 779 . 3 1 1 A 62 62 GLY HA3 H 62 3.771 3.856 -0.085 1
1 780 . 3 1 1 A 62 62 GLY C C 62 176.300 174.415 1.885 1
1 781 . 3 1 1 A 62 62 GLY CA C 62 45.006 45.193 -0.187 1
1 782 . 3 1 1 A 62 62 GLY N N 62 114.965 113.772 1.193 1
1 783 . 3 1 1 A 63 63 THR H H 63 8.945 8.186 0.759 1
1 784 . 3 1 1 A 63 63 THR HA H 63 4.533 4.359 0.174 1
1 789 . 3 1 1 A 63 63 THR C C 63 175.200 174.050 1.150 1
1 790 . 3 1 1 A 63 63 THR CA C 63 61.793 62.206 -0.413 1
1 791 . 3 1 1 A 63 63 THR CB C 63 69.548 68.126 1.422 1
1 793 . 3 1 1 A 63 63 THR N N 63 111.112 113.515 -2.403 1
1 794 . 3 1 1 A 64 64 LYS H H 64 9.133 8.924 0.209 1
1 795 . 3 1 1 A 64 64 LYS HA H 64 4.588 4.078 0.510 1
1 802 . 3 1 1 A 64 64 LYS C C 64 175.500 175.326 0.174 1
1 803 . 3 1 1 A 64 64 LYS CA C 64 55.231 57.538 -2.307 1
1 804 . 3 1 1 A 64 64 LYS CB C 64 32.452 32.134 0.318 1
1 807 . 3 1 1 A 64 64 LYS N N 64 122.500 122.650 -0.150 1
1 808 . 3 1 1 A 65 65 GLY H H 65 7.987 8.107 -0.120 1
1 809 . 3 1 1 A 65 65 GLY HA2 H 65 4.500 4.008 0.492 1
1 810 . 3 1 1 A 65 65 GLY HA3 H 65 3.135 4.010 -0.875 1
1 811 . 3 1 1 A 65 65 GLY C C 65 171.300 172.042 -0.742 1
1 812 . 3 1 1 A 65 65 GLY CA C 65 44.920 45.418 -0.498 1
1 813 . 3 1 1 A 65 65 GLY N N 65 106.884 106.412 0.472 1
1 814 . 3 1 1 A 66 66 ALA H H 66 7.671 8.611 -0.940 1
1 815 . 3 1 1 A 66 66 ALA HA H 66 4.911 4.955 -0.044 1
1 819 . 3 1 1 A 66 66 ALA C C 66 177.400 175.470 1.930 1
1 820 . 3 1 1 A 66 66 ALA CA C 66 52.232 51.577 0.655 1
1 821 . 3 1 1 A 66 66 ALA CB C 66 18.719 22.826 -4.107 1
1 822 . 3 1 1 A 66 66 ALA N N 66 115.951 125.226 -9.275 1
1 823 . 3 1 1 A 67 67 VAL H H 67 8.951 8.396 0.555 1
1 824 . 3 1 1 A 67 67 VAL HA H 67 4.875 4.959 -0.084 1
1 832 . 3 1 1 A 67 67 VAL C C 67 173.400 173.863 -0.463 1
1 833 . 3 1 1 A 67 67 VAL CA C 67 59.368 59.526 -0.158 1
1 834 . 3 1 1 A 67 67 VAL CB C 67 36.262 35.857 0.405 1
1 837 . 3 1 1 A 67 67 VAL N N 67 108.601 115.060 -6.459 1
1 838 . 3 1 1 A 68 68 ARG H H 68 9.043 8.974 0.069 1
1 839 . 3 1 1 A 68 68 ARG HA H 68 5.179 4.838 0.341 1
1 846 . 3 1 1 A 68 68 ARG C C 68 175.000 175.404 -0.404 1
1 847 . 3 1 1 A 68 68 ARG CA C 68 54.632 55.590 -0.958 1
1 848 . 3 1 1 A 68 68 ARG CB C 68 32.597 31.504 1.093 1
1 851 . 3 1 1 A 68 68 ARG N N 68 118.441 125.329 -6.888 1
1 852 . 3 1 1 A 69 69 ALA H H 69 9.561 8.789 0.772 1
1 853 . 3 1 1 A 69 69 ALA HA H 69 5.409 5.078 0.331 1
1 857 . 3 1 1 A 69 69 ALA C C 69 174.400 175.437 -1.037 1
1 858 . 3 1 1 A 69 69 ALA CA C 69 49.830 50.791 -0.961 1
1 859 . 3 1 1 A 69 69 ALA CB C 69 23.932 24.312 -0.380 1
1 860 . 3 1 1 A 69 69 ALA N N 69 126.495 126.354 0.141 1
1 861 . 3 1 1 A 70 70 ARG H H 70 8.692 8.614 0.078 1
1 862 . 3 1 1 A 70 70 ARG HA H 70 5.169 5.273 -0.104 1
1 869 . 3 1 1 A 70 70 ARG C C 70 175.700 175.082 0.618 1
1 870 . 3 1 1 A 70 70 ARG CA C 70 55.090 54.401 0.689 1
1 871 . 3 1 1 A 70 70 ARG CB C 70 33.544 33.280 0.264 1
1 874 . 3 1 1 A 70 70 ARG N N 70 122.321 118.635 3.686 1
1 875 . 3 1 1 A 71 71 PHE H H 71 9.442 9.286 0.156 1
1 876 . 3 1 1 A 71 71 PHE HA H 71 4.859 4.829 0.030 1
1 879 . 3 1 1 A 71 71 PHE C C 71 175.700 176.408 -0.708 1
1 880 . 3 1 1 A 71 71 PHE CA C 71 57.465 57.455 0.010 1
1 881 . 3 1 1 A 71 71 PHE CB C 71 41.819 40.506 1.313 1
1 882 . 3 1 1 A 71 71 PHE N N 71 128.794 123.879 4.915 1
1 883 . 3 1 1 A 72 72 GLU H H 72 8.968 9.190 -0.222 1
1 884 . 3 1 1 A 72 72 GLU HA H 72 4.242 4.227 0.015 1
1 889 . 3 1 1 A 72 72 GLU C C 72 176.500 176.751 -0.251 1
1 890 . 3 1 1 A 72 72 GLU CA C 72 58.604 58.312 0.292 1
1 891 . 3 1 1 A 72 72 GLU CB C 72 30.263 29.441 0.822 1
1 893 . 3 1 1 A 72 72 GLU N N 72 121.197 123.591 -2.394 1
1 894 . 3 1 1 A 73 73 LYS H H 73 8.123 7.873 0.250 1
1 895 . 3 1 1 A 73 73 LYS HA H 73 4.514 4.633 -0.119 1
1 904 . 3 1 1 A 73 73 LYS C C 73 175.300 175.953 -0.653 1
1 905 . 3 1 1 A 73 73 LYS CA C 73 54.839 57.887 -3.048 1
1 906 . 3 1 1 A 73 73 LYS CB C 73 34.555 35.124 -0.569 1
1 910 . 3 1 1 A 73 73 LYS N N 73 117.266 119.314 -2.048 1
1 911 . 3 1 1 A 74 74 GLY H H 74 8.138 7.465 0.673 1
1 912 . 3 1 1 A 74 74 GLY HA2 H 74 3.733 3.887 -0.154 1
1 913 . 3 1 1 A 74 74 GLY HA3 H 74 3.734 3.983 -0.249 1
1 914 . 3 1 1 A 74 74 GLY C C 74 173.300 171.962 1.338 1
1 915 . 3 1 1 A 74 74 GLY CA C 74 45.289 43.908 1.381 1
1 916 . 3 1 1 A 74 74 GLY N N 74 105.973 106.030 -0.057 1
1 917 . 3 1 1 A 75 75 LEU H H 75 7.924 7.865 0.059 1
1 918 . 3 1 1 A 75 75 LEU HA H 75 4.337 4.354 -0.017 1
1 928 . 3 1 1 A 75 75 LEU CA C 75 52.387 52.320 0.067 1
1 929 . 3 1 1 A 75 75 LEU CB C 75 41.391 41.448 -0.057 1
1 933 . 3 1 1 A 75 75 LEU N N 75 122.540 121.402 1.138 1
1 934 . 3 1 1 A 76 76 PRO HA H 76 4.527 4.240 0.287 1
1 941 . 3 1 1 A 76 76 PRO C C 76 176.700 177.336 -0.636 1
1 942 . 3 1 1 A 76 76 PRO CA C 76 62.467 63.875 -1.408 1
1 943 . 3 1 1 A 76 76 PRO CB C 76 32.055 31.330 0.725 1
1 946 . 3 1 1 A 77 77 GLY H H 77 8.346 8.636 -0.290 1
1 947 . 3 1 1 A 77 77 GLY HA2 H 77 3.912 3.894 0.018 1
1 948 . 3 1 1 A 77 77 GLY HA3 H 77 3.836 3.899 -0.063 1
1 949 . 3 1 1 A 77 77 GLY C C 77 174.900 173.486 1.414 1
1 950 . 3 1 1 A 77 77 GLY CA C 77 46.447 46.313 0.134 1
1 951 . 3 1 1 A 77 77 GLY N N 77 107.966 112.432 -4.466 1
1 952 . 3 1 1 A 78 78 GLN H H 78 8.226 8.411 -0.185 1
1 953 . 3 1 1 A 78 78 GLN HA H 78 4.244 4.355 -0.111 1
1 960 . 3 1 1 A 78 78 GLN C C 78 175.500 175.783 -0.283 1
1 961 . 3 1 1 A 78 78 GLN CA C 78 57.091 57.005 0.086 1
1 962 . 3 1 1 A 78 78 GLN CB C 78 28.933 30.422 -1.489 1
1 964 . 3 1 1 A 78 78 GLN N N 78 118.286 121.136 -2.850 1
1 966 . 3 1 1 A 79 79 ALA H H 79 7.890 7.909 -0.019 1
1 967 . 3 1 1 A 79 79 ALA HA H 79 4.211 4.000 0.211 1
1 971 . 3 1 1 A 79 79 ALA C C 79 177.100 176.473 0.627 1
1 972 . 3 1 1 A 79 79 ALA CA C 79 52.573 53.040 -0.467 1
1 973 . 3 1 1 A 79 79 ALA CB C 79 19.067 17.667 1.400 1
1 974 . 3 1 1 A 79 79 ALA N N 79 122.012 121.306 0.706 1
1 975 . 3 1 1 A 80 80 LEU H H 80 7.340 7.940 -0.600 1
1 976 . 3 1 1 A 80 80 LEU HA H 80 3.548 3.948 -0.400 1
1 986 . 3 1 1 A 80 80 LEU C C 80 178.200 177.349 0.851 1
1 987 . 3 1 1 A 80 80 LEU CA C 80 57.059 56.494 0.565 1
1 988 . 3 1 1 A 80 80 LEU CB C 80 41.010 41.692 -0.682 1
1 992 . 3 1 1 A 80 80 LEU N N 80 117.413 119.641 -2.228 1
1 993 . 3 1 1 A 81 81 GLY H H 81 8.704 8.989 -0.285 1
1 994 . 3 1 1 A 81 81 GLY HA2 H 81 3.477 4.025 -0.548 1
1 995 . 3 1 1 A 81 81 GLY HA3 H 81 4.176 4.031 0.145 1
1 996 . 3 1 1 A 81 81 GLY C C 81 173.200 174.352 -1.152 1
1 997 . 3 1 1 A 81 81 GLY CA C 81 45.500 44.902 0.598 1
1 998 . 3 1 1 A 81 81 GLY N N 81 113.076 114.649 -1.573 1
1 999 . 3 1 1 A 82 82 ASP H H 82 8.092 8.327 -0.235 1
1 1000 . 3 1 1 A 82 82 ASP HA H 82 4.711 4.803 -0.092 1
1 1003 . 3 1 1 A 82 82 ASP C C 82 175.400 175.766 -0.366 1
1 1004 . 3 1 1 A 82 82 ASP CA C 82 53.447 54.467 -1.020 1
1 1005 . 3 1 1 A 82 82 ASP CB C 82 42.306 42.134 0.172 1
1 1006 . 3 1 1 A 82 82 ASP N N 82 120.648 122.602 -1.954 1
1 1007 . 3 1 1 A 83 83 TYR H H 83 8.637 8.663 -0.026 1
1 1008 . 3 1 1 A 83 83 TYR HA H 83 5.725 4.707 1.018 1
1 1011 . 3 1 1 A 83 83 TYR C C 83 176.800 176.092 0.708 1
1 1012 . 3 1 1 A 83 83 TYR CA C 83 57.359 58.844 -1.485 1
1 1013 . 3 1 1 A 83 83 TYR CB C 83 40.594 38.464 2.130 1
1 1014 . 3 1 1 A 83 83 TYR N N 83 117.015 124.802 -7.787 1
1 1015 . 3 1 1 A 84 84 VAL H H 84 8.747 8.374 0.373 1
1 1016 . 3 1 1 A 84 84 VAL HA H 84 5.006 5.097 -0.091 1
1 1024 . 3 1 1 A 84 84 VAL C C 84 175.200 174.924 0.276 1
1 1025 . 3 1 1 A 84 84 VAL CA C 84 58.855 60.407 -1.552 1
1 1026 . 3 1 1 A 84 84 VAL CB C 84 35.371 33.966 1.405 1
1 1029 . 3 1 1 A 84 84 VAL N N 84 111.283 120.209 -8.926 1
1 1030 . 3 1 1 A 85 85 GLU H H 85 8.384 8.787 -0.403 1
1 1031 . 3 1 1 A 85 85 GLU HA H 85 5.129 5.056 0.073 1
1 1036 . 3 1 1 A 85 85 GLU C C 85 174.900 175.124 -0.224 1
1 1037 . 3 1 1 A 85 85 GLU CA C 85 55.209 54.720 0.489 1
1 1038 . 3 1 1 A 85 85 GLU CB C 85 33.531 34.346 -0.815 1
1 1040 . 3 1 1 A 85 85 GLU N N 85 118.476 120.078 -1.602 1
1 1041 . 3 1 1 A 86 86 ILE H H 86 9.344 8.793 0.551 1
1 1042 . 3 1 1 A 86 86 ILE HA H 86 4.951 4.591 0.360 1
1 1052 . 3 1 1 A 86 86 ILE C C 86 176.000 175.149 0.851 1
1 1053 . 3 1 1 A 86 86 ILE CA C 86 60.535 60.699 -0.164 1
1 1054 . 3 1 1 A 86 86 ILE CB C 86 39.154 36.872 2.282 1
1 1058 . 3 1 1 A 86 86 ILE N N 86 124.495 122.796 1.699 1
1 1 . 4 1 1 A 2 2 ARG HA H 2 5.159 5.071 0.088 1
1 8 . 4 1 1 A 2 2 ARG C C 2 175.500 175.276 0.224 1
1 9 . 4 1 1 A 2 2 ARG CA C 2 55.183 54.385 0.798 1
1 10 . 4 1 1 A 2 2 ARG CB C 2 32.737 33.833 -1.096 1
1 13 . 4 1 1 A 3 3 ILE H H 3 8.800 8.711 0.089 1
1 14 . 4 1 1 A 3 3 ILE HA H 3 4.674 4.847 -0.173 1
1 24 . 4 1 1 A 3 3 ILE C C 3 175.000 174.837 0.163 1
1 25 . 4 1 1 A 3 3 ILE CA C 3 60.050 59.886 0.164 1
1 26 . 4 1 1 A 3 3 ILE CB C 3 41.249 42.582 -1.333 1
1 30 . 4 1 1 A 3 3 ILE N N 3 119.700 121.509 -1.809 1
1 31 . 4 1 1 A 4 4 LYS H H 4 8.864 8.583 0.281 1
1 32 . 4 1 1 A 4 4 LYS HA H 4 5.180 4.852 0.328 1
1 41 . 4 1 1 A 4 4 LYS C C 4 176.800 176.218 0.582 1
1 42 . 4 1 1 A 4 4 LYS CA C 4 55.798 55.200 0.598 1
1 43 . 4 1 1 A 4 4 LYS CB C 4 35.471 34.579 0.892 1
1 47 . 4 1 1 A 4 4 LYS N N 4 123.785 125.496 -1.711 1
1 48 . 4 1 1 A 5 5 GLY H H 5 8.662 8.510 0.152 1
1 49 . 4 1 1 A 5 5 GLY HA2 H 5 3.122 4.201 -1.079 1
1 50 . 4 1 1 A 5 5 GLY HA3 H 5 5.139 4.241 0.898 1
1 51 . 4 1 1 A 5 5 GLY C C 5 170.800 171.360 -0.560 1
1 52 . 4 1 1 A 5 5 GLY CA C 5 44.967 45.439 -0.472 1
1 53 . 4 1 1 A 5 5 GLY N N 5 107.023 108.208 -1.185 1
1 54 . 4 1 1 A 6 6 VAL H H 6 8.168 8.247 -0.079 1
1 55 . 4 1 1 A 6 6 VAL HA H 6 4.936 4.383 0.553 1
1 63 . 4 1 1 A 6 6 VAL C C 6 175.100 174.495 0.605 1
1 64 . 4 1 1 A 6 6 VAL CA C 6 60.066 60.497 -0.431 1
1 65 . 4 1 1 A 6 6 VAL CB C 6 35.501 35.556 -0.055 1
1 68 . 4 1 1 A 6 6 VAL N N 6 118.930 119.453 -0.523 1
1 69 . 4 1 1 A 7 7 VAL H H 7 8.663 8.820 -0.157 1
1 70 . 4 1 1 A 7 7 VAL HA H 7 3.771 4.054 -0.283 1
1 78 . 4 1 1 A 7 7 VAL C C 7 176.020 175.459 0.561 1
1 79 . 4 1 1 A 7 7 VAL CA C 7 63.861 62.577 1.284 1
1 80 . 4 1 1 A 7 7 VAL CB C 7 31.549 32.090 -0.541 1
1 83 . 4 1 1 A 7 7 VAL N N 7 126.733 126.318 0.415 1
1 84 . 4 1 1 A 8 8 LEU H H 8 9.077 9.067 0.010 1
1 85 . 4 1 1 A 8 8 LEU HA H 8 4.396 4.404 -0.008 1
1 95 . 4 1 1 A 8 8 LEU C C 8 177.000 176.557 0.443 1
1 96 . 4 1 1 A 8 8 LEU CA C 8 55.871 55.835 0.036 1
1 97 . 4 1 1 A 8 8 LEU CB C 8 43.337 42.926 0.411 1
1 101 . 4 1 1 A 8 8 LEU N N 8 128.947 127.218 1.729 1
1 102 . 4 1 1 A 9 9 SER H H 9 7.409 7.685 -0.276 1
1 103 . 4 1 1 A 9 9 SER HA H 9 4.347 4.901 -0.554 1
1 106 . 4 1 1 A 9 9 SER C C 9 172.900 171.859 1.041 1
1 107 . 4 1 1 A 9 9 SER CA C 9 57.866 57.934 -0.068 1
1 108 . 4 1 1 A 9 9 SER CB C 9 64.173 66.879 -2.706 1
1 109 . 4 1 1 A 9 9 SER N N 9 108.469 110.945 -2.476 1
1 110 . 4 1 1 A 10 10 TYR H H 10 8.464 9.007 -0.543 1
1 111 . 4 1 1 A 10 10 TYR HA H 10 5.064 4.768 0.296 1
1 114 . 4 1 1 A 10 10 TYR C C 10 175.400 173.890 1.510 1
1 115 . 4 1 1 A 10 10 TYR CA C 10 57.258 57.177 0.081 1
1 116 . 4 1 1 A 10 10 TYR CB C 10 40.325 39.727 0.598 1
1 117 . 4 1 1 A 10 10 TYR N N 10 121.190 127.066 -5.876 1
1 118 . 4 1 1 A 11 11 ARG H H 11 8.545 8.408 0.137 1
1 119 . 4 1 1 A 11 11 ARG HA H 11 4.441 4.563 -0.122 1
1 126 . 4 1 1 A 11 11 ARG C C 11 174.800 174.434 0.366 1
1 127 . 4 1 1 A 11 11 ARG CA C 11 55.308 55.201 0.107 1
1 128 . 4 1 1 A 11 11 ARG CB C 11 31.551 30.096 1.455 1
1 131 . 4 1 1 A 11 11 ARG N N 11 124.044 126.988 -2.944 1
1 132 . 4 1 1 A 12 12 ARG H H 12 8.562 8.890 -0.328 1
1 133 . 4 1 1 A 12 12 ARG HA H 12 4.577 4.536 0.041 1
1 140 . 4 1 1 A 12 12 ARG C C 12 176.100 175.006 1.094 1
1 141 . 4 1 1 A 12 12 ARG CA C 12 55.803 55.454 0.349 1
1 142 . 4 1 1 A 12 12 ARG CB C 12 31.265 28.915 2.350 1
1 145 . 4 1 1 A 12 12 ARG N N 12 124.990 126.960 -1.970 1
1 146 . 4 1 1 A 13 13 SER H H 13 8.485 8.319 0.166 1
1 147 . 4 1 1 A 13 13 SER HA H 13 4.542 4.904 -0.362 1
1 150 . 4 1 1 A 13 13 SER C C 13 175.000 173.545 1.455 1
1 151 . 4 1 1 A 13 13 SER CA C 13 57.790 56.920 0.870 1
1 152 . 4 1 1 A 13 13 SER CB C 13 64.666 64.305 0.361 1
1 153 . 4 1 1 A 13 13 SER N N 13 118.058 119.335 -1.277 1
1 154 . 4 1 1 A 14 14 LYS H H 14 8.663 8.975 -0.312 1
1 155 . 4 1 1 A 14 14 LYS HA H 14 4.178 3.995 0.183 1
1 164 . 4 1 1 A 14 14 LYS C C 14 177.400 175.429 1.971 1
1 165 . 4 1 1 A 14 14 LYS CA C 14 57.997 57.531 0.466 1
1 166 . 4 1 1 A 14 14 LYS CB C 14 32.686 31.871 0.815 1
1 170 . 4 1 1 A 14 14 LYS N N 14 123.187 122.057 1.130 1
1 171 . 4 1 1 A 15 15 GLU H H 15 8.525 8.450 0.075 1
1 172 . 4 1 1 A 15 15 GLU HA H 15 4.217 3.894 0.323 1
1 177 . 4 1 1 A 15 15 GLU C C 15 176.300 175.932 0.368 1
1 178 . 4 1 1 A 15 15 GLU CA C 15 57.504 59.121 -1.617 1
1 179 . 4 1 1 A 15 15 GLU CB C 15 29.654 28.051 1.603 1
1 181 . 4 1 1 A 15 15 GLU N N 15 118.364 113.999 4.365 1
1 182 . 4 1 1 A 16 16 ASN H H 16 7.985 9.037 -1.052 1
1 183 . 4 1 1 A 16 16 ASN HA H 16 4.690 4.590 0.100 1
1 188 . 4 1 1 A 16 16 ASN C C 16 175.100 174.995 0.105 1
1 189 . 4 1 1 A 16 16 ASN CA C 16 53.363 55.114 -1.751 1
1 190 . 4 1 1 A 16 16 ASN CB C 16 39.022 37.884 1.138 1
1 191 . 4 1 1 A 16 16 ASN N N 16 117.467 117.987 -0.520 1
1 193 . 4 1 1 A 17 17 GLN H H 17 8.384 8.569 -0.185 1
1 194 . 4 1 1 A 17 17 GLN HA H 17 4.256 4.482 -0.226 1
1 201 . 4 1 1 A 17 17 GLN C C 17 175.800 176.079 -0.279 1
1 202 . 4 1 1 A 17 17 GLN CA C 17 56.678 55.184 1.494 1
1 203 . 4 1 1 A 17 17 GLN CB C 17 29.071 29.259 -0.188 1
1 205 . 4 1 1 A 17 17 GLN N N 17 119.788 121.753 -1.965 1
1 207 . 4 1 1 A 18 18 HIS H H 18 8.209 7.563 0.646 1
1 208 . 4 1 1 A 18 18 HIS HA H 18 4.683 4.752 -0.069 1
1 211 . 4 1 1 A 18 18 HIS C C 18 175.080 174.869 0.211 1
1 212 . 4 1 1 A 18 18 HIS CA C 18 55.839 55.805 0.034 1
1 213 . 4 1 1 A 18 18 HIS CB C 18 30.460 31.880 -1.420 1
1 214 . 4 1 1 A 18 18 HIS N N 18 117.984 118.843 -0.859 1
1 215 . 4 1 1 A 19 19 ASN H H 19 8.430 8.067 0.363 1
1 216 . 4 1 1 A 19 19 ASN HA H 19 4.813 4.355 0.458 1
1 221 . 4 1 1 A 19 19 ASN C C 19 174.300 173.793 0.507 1
1 222 . 4 1 1 A 19 19 ASN CA C 19 53.172 54.738 -1.566 1
1 223 . 4 1 1 A 19 19 ASN CB C 19 38.503 37.090 1.413 1
1 224 . 4 1 1 A 19 19 ASN N N 19 122.300 115.215 7.085 1
1 226 . 4 1 1 A 20 20 ASN H H 20 8.353 7.706 0.647 1
1 227 . 4 1 1 A 20 20 ASN HA H 20 4.828 5.173 -0.345 1
1 232 . 4 1 1 A 20 20 ASN C C 20 174.000 173.791 0.209 1
1 233 . 4 1 1 A 20 20 ASN CA C 20 53.292 52.541 0.751 1
1 234 . 4 1 1 A 20 20 ASN CB C 20 38.896 41.208 -2.312 1
1 235 . 4 1 1 A 20 20 ASN N N 20 117.387 116.599 0.788 1
1 237 . 4 1 1 A 21 21 VAL H H 21 8.285 9.545 -1.260 1
1 238 . 4 1 1 A 21 21 VAL HA H 21 5.090 4.830 0.260 1
1 246 . 4 1 1 A 21 21 VAL C C 21 174.900 174.120 0.780 1
1 247 . 4 1 1 A 21 21 VAL CA C 21 61.409 60.079 1.330 1
1 248 . 4 1 1 A 21 21 VAL CB C 21 33.979 34.383 -0.404 1
1 251 . 4 1 1 A 21 21 VAL N N 21 120.718 125.266 -4.548 1
1 252 . 4 1 1 A 22 22 MET H H 22 9.083 8.418 0.665 1
1 253 . 4 1 1 A 22 22 MET HA H 22 5.073 4.870 0.203 1
1 258 . 4 1 1 A 22 22 MET C C 22 174.600 174.240 0.360 1
1 259 . 4 1 1 A 22 22 MET CA C 22 53.096 53.437 -0.341 1
1 260 . 4 1 1 A 22 22 MET CB C 22 36.612 35.369 1.243 1
1 262 . 4 1 1 A 22 22 MET N N 22 123.693 119.847 3.846 1
1 263 . 4 1 1 A 23 23 ILE H H 23 8.761 8.257 0.504 1
1 264 . 4 1 1 A 23 23 ILE HA H 23 4.738 4.814 -0.076 1
1 274 . 4 1 1 A 23 23 ILE C C 23 175.500 174.523 0.977 1
1 275 . 4 1 1 A 23 23 ILE CA C 23 59.230 59.838 -0.608 1
1 276 . 4 1 1 A 23 23 ILE CB C 23 36.022 39.694 -3.672 1
1 280 . 4 1 1 A 23 23 ILE N N 23 123.898 122.949 0.949 1
1 281 . 4 1 1 A 24 24 ILE H H 24 9.048 8.509 0.539 1
1 282 . 4 1 1 A 24 24 ILE HA H 24 4.881 4.771 0.110 1
1 292 . 4 1 1 A 24 24 ILE C C 24 174.200 174.873 -0.673 1
1 293 . 4 1 1 A 24 24 ILE CA C 24 58.256 59.425 -1.169 1
1 294 . 4 1 1 A 24 24 ILE CB C 24 42.799 42.559 0.240 1
1 298 . 4 1 1 A 24 24 ILE N N 24 126.877 125.271 1.606 1
1 299 . 4 1 1 A 25 25 LYS H H 25 9.205 8.752 0.453 1
1 300 . 4 1 1 A 25 25 LYS HA H 25 5.109 4.845 0.264 1
1 305 . 4 1 1 A 25 25 LYS CA C 25 50.908 53.005 -2.097 1
1 306 . 4 1 1 A 25 25 LYS CB C 25 34.893 35.135 -0.242 1
1 307 . 4 1 1 A 25 25 LYS N N 25 127.192 126.379 0.813 1
1 308 . 4 1 1 A 26 26 PRO HA H 26 4.823 4.518 0.305 1
1 315 . 4 1 1 A 26 26 PRO C C 26 177.300 177.942 -0.642 1
1 316 . 4 1 1 A 26 26 PRO CA C 26 61.185 62.882 -1.697 1
1 317 . 4 1 1 A 26 26 PRO CB C 26 30.625 32.496 -1.871 1
1 320 . 4 1 1 A 27 27 LEU H H 27 8.861 8.444 0.417 1
1 321 . 4 1 1 A 27 27 LEU HA H 27 4.101 3.865 0.236 1
1 331 . 4 1 1 A 27 27 LEU C C 27 177.800 178.018 -0.218 1
1 332 . 4 1 1 A 27 27 LEU CA C 27 57.590 58.662 -1.072 1
1 333 . 4 1 1 A 27 27 LEU CB C 27 40.721 42.060 -1.339 1
1 337 . 4 1 1 A 27 27 LEU N N 27 127.814 125.012 2.802 1
1 338 . 4 1 1 A 28 28 ASP H H 28 8.818 7.928 0.890 1
1 339 . 4 1 1 A 28 28 ASP HA H 28 4.477 4.457 0.020 1
1 342 . 4 1 1 A 28 28 ASP C C 28 174.500 176.628 -2.128 1
1 343 . 4 1 1 A 28 28 ASP CA C 28 55.417 56.350 -0.933 1
1 344 . 4 1 1 A 28 28 ASP CB C 28 40.527 41.200 -0.673 1
1 345 . 4 1 1 A 28 28 ASP N N 28 114.920 117.726 -2.806 1
1 346 . 4 1 1 A 29 29 VAL H H 29 7.004 7.886 -0.882 1
1 347 . 4 1 1 A 29 29 VAL HA H 29 4.164 3.762 0.402 1
1 355 . 4 1 1 A 29 29 VAL C C 29 175.600 176.009 -0.409 1
1 356 . 4 1 1 A 29 29 VAL CA C 29 62.553 63.054 -0.501 1
1 357 . 4 1 1 A 29 29 VAL CB C 29 32.711 29.810 2.901 1
1 360 . 4 1 1 A 29 29 VAL N N 29 119.689 117.122 2.567 1
1 361 . 4 1 1 A 30 30 ASN H H 30 8.802 8.419 0.383 1
1 362 . 4 1 1 A 30 30 ASN HA H 30 5.409 4.730 0.679 1
1 367 . 4 1 1 A 30 30 ASN C C 30 173.400 174.528 -1.128 1
1 368 . 4 1 1 A 30 30 ASN CA C 30 53.262 52.981 0.281 1
1 369 . 4 1 1 A 30 30 ASN CB C 30 41.186 38.030 3.156 1
1 370 . 4 1 1 A 30 30 ASN N N 30 122.479 118.352 4.127 1
1 372 . 4 1 1 A 31 31 SER H H 31 7.329 7.613 -0.284 1
1 373 . 4 1 1 A 31 31 SER HA H 31 4.878 4.763 0.115 1
1 376 . 4 1 1 A 31 31 SER C C 31 173.700 174.198 -0.498 1
1 377 . 4 1 1 A 31 31 SER CA C 31 56.428 57.551 -1.123 1
1 378 . 4 1 1 A 31 31 SER CB C 31 67.086 66.496 0.590 1
1 379 . 4 1 1 A 31 31 SER N N 31 109.583 113.527 -3.944 1
1 380 . 4 1 1 A 32 32 ARG H H 32 8.688 8.806 -0.118 1
1 381 . 4 1 1 A 32 32 ARG HA H 32 4.229 3.921 0.308 1
1 388 . 4 1 1 A 32 32 ARG C C 32 178.300 177.307 0.993 1
1 389 . 4 1 1 A 32 32 ARG CA C 32 58.914 59.459 -0.545 1
1 390 . 4 1 1 A 32 32 ARG CB C 32 30.785 29.883 0.902 1
1 393 . 4 1 1 A 32 32 ARG N N 32 123.538 126.380 -2.842 1
1 394 . 4 1 1 A 33 33 GLU H H 33 9.157 8.241 0.916 1
1 395 . 4 1 1 A 33 33 GLU HA H 33 4.012 4.079 -0.067 1
1 400 . 4 1 1 A 33 33 GLU C C 33 179.900 178.518 1.382 1
1 401 . 4 1 1 A 33 33 GLU CA C 33 60.615 59.328 1.287 1
1 402 . 4 1 1 A 33 33 GLU CB C 33 28.895 29.346 -0.451 1
1 404 . 4 1 1 A 33 33 GLU N N 33 120.517 119.138 1.379 1
1 405 . 4 1 1 A 34 34 GLU H H 34 7.623 8.125 -0.502 1
1 406 . 4 1 1 A 34 34 GLU HA H 34 4.096 4.164 -0.068 1
1 411 . 4 1 1 A 34 34 GLU C C 34 179.100 179.278 -0.178 1
1 412 . 4 1 1 A 34 34 GLU CA C 34 58.647 58.859 -0.212 1
1 413 . 4 1 1 A 34 34 GLU CB C 34 30.874 30.209 0.665 1
1 415 . 4 1 1 A 34 34 GLU N N 34 118.275 118.787 -0.512 1
1 416 . 4 1 1 A 35 35 ALA H H 35 8.131 8.870 -0.739 1
1 417 . 4 1 1 A 35 35 ALA HA H 35 3.828 4.129 -0.301 1
1 421 . 4 1 1 A 35 35 ALA C C 35 179.800 179.466 0.334 1
1 422 . 4 1 1 A 35 35 ALA CA C 35 55.337 55.212 0.125 1
1 423 . 4 1 1 A 35 35 ALA CB C 35 18.361 18.621 -0.260 1
1 424 . 4 1 1 A 35 35 ALA N N 35 123.551 123.668 -0.117 1
1 425 . 4 1 1 A 36 36 SER H H 36 8.279 8.809 -0.530 1
1 426 . 4 1 1 A 36 36 SER HA H 36 3.875 4.157 -0.282 1
1 429 . 4 1 1 A 36 36 SER C C 36 176.100 176.561 -0.461 1
1 430 . 4 1 1 A 36 36 SER CA C 36 61.573 60.980 0.593 1
1 431 . 4 1 1 A 36 36 SER CB C 36 63.126 63.174 -0.048 1
1 432 . 4 1 1 A 36 36 SER N N 36 112.905 112.999 -0.094 1
1 433 . 4 1 1 A 37 37 LYS H H 37 7.120 7.779 -0.659 1
1 434 . 4 1 1 A 37 37 LYS HA H 37 4.203 4.046 0.157 1
1 443 . 4 1 1 A 37 37 LYS C C 37 177.100 179.174 -2.074 1
1 444 . 4 1 1 A 37 37 LYS CA C 37 57.553 59.592 -2.039 1
1 445 . 4 1 1 A 37 37 LYS CB C 37 32.178 32.197 -0.019 1
1 449 . 4 1 1 A 37 37 LYS N N 37 119.081 121.529 -2.448 1
1 450 . 4 1 1 A 38 38 LEU H H 38 7.877 7.680 0.197 1
1 451 . 4 1 1 A 38 38 LEU HA H 38 4.138 4.251 -0.113 1
1 461 . 4 1 1 A 38 38 LEU C C 38 176.400 178.503 -2.103 1
1 462 . 4 1 1 A 38 38 LEU CA C 38 54.225 55.735 -1.510 1
1 463 . 4 1 1 A 38 38 LEU CB C 38 42.192 41.061 1.131 1
1 467 . 4 1 1 A 38 38 LEU N N 38 115.729 117.247 -1.518 1
1 468 . 4 1 1 A 39 39 ILE H H 39 6.958 7.769 -0.811 1
1 469 . 4 1 1 A 39 39 ILE HA H 39 3.252 3.755 -0.503 1
1 479 . 4 1 1 A 39 39 ILE C C 39 177.100 176.426 0.674 1
1 480 . 4 1 1 A 39 39 ILE CA C 39 63.952 64.805 -0.853 1
1 481 . 4 1 1 A 39 39 ILE CB C 39 36.338 37.750 -1.412 1
1 485 . 4 1 1 A 39 39 ILE N N 39 118.446 120.447 -2.001 1
1 486 . 4 1 1 A 40 40 GLY H H 40 8.877 7.928 0.949 1
1 487 . 4 1 1 A 40 40 GLY HA2 H 40 4.518 4.071 0.447 1
1 488 . 4 1 1 A 40 40 GLY HA3 H 40 3.611 4.074 -0.463 1
1 489 . 4 1 1 A 40 40 GLY C C 40 174.600 172.658 1.942 1
1 490 . 4 1 1 A 40 40 GLY CA C 40 44.763 45.330 -0.567 1
1 491 . 4 1 1 A 40 40 GLY N N 40 115.966 109.032 6.934 1
1 492 . 4 1 1 A 41 41 ARG H H 41 7.939 8.345 -0.406 1
1 493 . 4 1 1 A 41 41 ARG HA H 41 4.481 4.727 -0.246 1
1 500 . 4 1 1 A 41 41 ARG C C 41 175.000 173.749 1.251 1
1 501 . 4 1 1 A 41 41 ARG CA C 41 56.298 55.303 0.995 1
1 502 . 4 1 1 A 41 41 ARG CB C 41 30.619 34.663 -4.044 1
1 505 . 4 1 1 A 41 41 ARG N N 41 118.629 124.116 -5.487 1
1 506 . 4 1 1 A 42 42 LEU H H 42 8.400 8.509 -0.109 1
1 507 . 4 1 1 A 42 42 LEU HA H 42 4.773 4.778 -0.005 1
1 517 . 4 1 1 A 42 42 LEU C C 42 175.200 175.757 -0.557 1
1 518 . 4 1 1 A 42 42 LEU CA C 42 54.561 54.000 0.561 1
1 519 . 4 1 1 A 42 42 LEU CB C 42 44.111 43.562 0.549 1
1 523 . 4 1 1 A 42 42 LEU N N 42 121.347 126.514 -5.167 1
1 524 . 4 1 1 A 43 43 VAL H H 43 8.189 8.453 -0.264 1
1 525 . 4 1 1 A 43 43 VAL HA H 43 5.045 4.750 0.295 1
1 533 . 4 1 1 A 43 43 VAL C C 43 173.800 174.624 -0.824 1
1 534 . 4 1 1 A 43 43 VAL CA C 43 59.401 61.126 -1.725 1
1 535 . 4 1 1 A 43 43 VAL CB C 43 34.438 33.011 1.427 1
1 538 . 4 1 1 A 43 43 VAL N N 43 120.875 122.569 -1.694 1
1 539 . 4 1 1 A 44 44 LEU H H 44 9.320 8.944 0.376 1
1 540 . 4 1 1 A 44 44 LEU HA H 44 5.371 5.099 0.272 1
1 550 . 4 1 1 A 44 44 LEU C C 44 176.600 175.238 1.362 1
1 551 . 4 1 1 A 44 44 LEU CA C 44 53.600 53.487 0.113 1
1 552 . 4 1 1 A 44 44 LEU CB C 44 44.381 42.364 2.017 1
1 556 . 4 1 1 A 44 44 LEU N N 44 124.820 127.843 -3.023 1
1 557 . 4 1 1 A 45 45 TRP H H 45 9.251 8.980 0.271 1
1 558 . 4 1 1 A 45 45 TRP HA H 45 5.023 5.303 -0.280 1
1 561 . 4 1 1 A 45 45 TRP C C 45 173.100 174.969 -1.869 1
1 562 . 4 1 1 A 45 45 TRP CA C 45 57.182 56.046 1.136 1
1 563 . 4 1 1 A 45 45 TRP CB C 45 31.353 30.851 0.502 1
1 564 . 4 1 1 A 45 45 TRP N N 45 125.368 127.898 -2.530 1
1 565 . 4 1 1 A 46 46 LYS H H 46 8.064 8.133 -0.069 1
1 566 . 4 1 1 A 46 46 LYS HA H 46 4.314 4.263 0.051 1
1 575 . 4 1 1 A 46 46 LYS C C 46 173.800 175.249 -1.449 1
1 576 . 4 1 1 A 46 46 LYS CA C 46 55.132 55.056 0.076 1
1 577 . 4 1 1 A 46 46 LYS CB C 46 32.714 31.990 0.724 1
1 580 . 4 1 1 A 46 46 LYS N N 46 129.540 129.351 0.189 1
1 581 . 4 1 1 A 47 47 SER H H 47 8.208 7.671 0.537 1
1 582 . 4 1 1 A 47 47 SER HA H 47 3.245 3.540 -0.295 1
1 585 . 4 1 1 A 47 47 SER CA C 47 56.564 55.991 0.573 1
1 586 . 4 1 1 A 47 47 SER CB C 47 63.584 62.964 0.620 1
1 587 . 4 1 1 A 47 47 SER N N 47 124.549 119.343 5.206 1
1 588 . 4 1 1 A 48 48 PRO HA H 48 4.286 4.460 -0.174 1
1 595 . 4 1 1 A 48 48 PRO C C 48 177.500 177.247 0.253 1
1 596 . 4 1 1 A 48 48 PRO CA C 48 65.461 64.337 1.124 1
1 597 . 4 1 1 A 48 48 PRO CB C 48 31.723 32.039 -0.316 1
1 600 . 4 1 1 A 49 49 SER H H 49 7.754 7.693 0.061 1
1 601 . 4 1 1 A 49 49 SER HA H 49 4.414 4.494 -0.080 1
1 604 . 4 1 1 A 49 49 SER C C 49 175.200 174.235 0.965 1
1 605 . 4 1 1 A 49 49 SER CA C 49 58.552 58.202 0.350 1
1 606 . 4 1 1 A 49 49 SER CB C 49 63.820 63.469 0.351 1
1 607 . 4 1 1 A 49 49 SER N N 49 109.700 112.611 -2.911 1
1 608 . 4 1 1 A 50 50 GLY H H 50 8.194 7.777 0.417 1
1 609 . 4 1 1 A 50 50 GLY HA2 H 50 3.314 3.835 -0.521 1
1 610 . 4 1 1 A 50 50 GLY HA3 H 50 4.354 3.868 0.486 1
1 611 . 4 1 1 A 50 50 GLY C C 50 173.700 174.081 -0.381 1
1 612 . 4 1 1 A 50 50 GLY CA C 50 45.031 45.755 -0.724 1
1 613 . 4 1 1 A 50 50 GLY N N 50 111.568 109.788 1.780 1
1 614 . 4 1 1 A 51 51 LYS H H 51 7.246 7.651 -0.405 1
1 615 . 4 1 1 A 51 51 LYS HA H 51 4.246 4.370 -0.124 1
1 624 . 4 1 1 A 51 51 LYS C C 51 175.900 175.322 0.578 1
1 625 . 4 1 1 A 51 51 LYS CA C 51 55.948 55.606 0.342 1
1 626 . 4 1 1 A 51 51 LYS CB C 51 32.893 32.009 0.884 1
1 630 . 4 1 1 A 51 51 LYS N N 51 120.424 121.891 -1.467 1
1 631 . 4 1 1 A 52 52 ILE H H 52 8.718 8.317 0.401 1
1 632 . 4 1 1 A 52 52 ILE HA H 52 4.670 4.380 0.290 1
1 642 . 4 1 1 A 52 52 ILE C C 52 176.100 175.512 0.588 1
1 643 . 4 1 1 A 52 52 ILE CA C 52 60.261 60.575 -0.314 1
1 644 . 4 1 1 A 52 52 ILE CB C 52 38.268 37.496 0.772 1
1 648 . 4 1 1 A 52 52 ILE N N 52 125.588 127.580 -1.992 1
1 649 . 4 1 1 A 53 53 LEU H H 53 9.558 9.103 0.455 1
1 650 . 4 1 1 A 53 53 LEU HA H 53 4.930 5.098 -0.168 1
1 660 . 4 1 1 A 53 53 LEU C C 53 175.800 175.855 -0.055 1
1 661 . 4 1 1 A 53 53 LEU CA C 53 54.305 53.768 0.537 1
1 662 . 4 1 1 A 53 53 LEU CB C 53 44.080 43.088 0.992 1
1 666 . 4 1 1 A 53 53 LEU N N 53 131.583 128.975 2.608 1
1 667 . 4 1 1 A 54 54 LYS H H 54 8.746 8.745 0.001 1
1 668 . 4 1 1 A 54 54 LYS HA H 54 5.463 4.690 0.773 1
1 677 . 4 1 1 A 54 54 LYS C C 54 176.200 176.094 0.106 1
1 678 . 4 1 1 A 54 54 LYS CA C 54 55.474 55.229 0.245 1
1 679 . 4 1 1 A 54 54 LYS CB C 54 35.349 32.602 2.747 1
1 683 . 4 1 1 A 54 54 LYS N N 54 120.463 125.223 -4.760 1
1 684 . 4 1 1 A 55 55 GLY H H 55 9.217 8.855 0.362 1
1 685 . 4 1 1 A 55 55 GLY HA2 H 55 4.347 1.629 2.718 1
1 686 . 4 1 1 A 55 55 GLY HA3 H 55 1.960 3.372 -1.412 1
1 687 . 4 1 1 A 55 55 GLY C C 55 172.400 172.063 0.337 1
1 688 . 4 1 1 A 55 55 GLY CA C 55 43.890 43.256 0.634 1
1 689 . 4 1 1 A 55 55 GLY N N 55 114.284 112.014 2.270 1
1 690 . 4 1 1 A 56 56 LYS H H 56 8.015 7.563 0.452 1
1 691 . 4 1 1 A 56 56 LYS HA H 56 5.145 4.729 0.416 1
1 700 . 4 1 1 A 56 56 LYS C C 56 176.000 174.556 1.444 1
1 701 . 4 1 1 A 56 56 LYS CA C 56 54.614 55.195 -0.581 1
1 702 . 4 1 1 A 56 56 LYS CB C 56 36.639 36.457 0.182 1
1 706 . 4 1 1 A 56 56 LYS N N 56 118.868 119.276 -0.408 1
1 707 . 4 1 1 A 57 57 ILE H H 57 8.693 8.399 0.294 1
1 708 . 4 1 1 A 57 57 ILE HA H 57 4.149 4.152 -0.003 1
1 718 . 4 1 1 A 57 57 ILE C C 57 177.200 177.192 0.008 1
1 719 . 4 1 1 A 57 57 ILE CA C 57 62.915 61.939 0.976 1
1 720 . 4 1 1 A 57 57 ILE CB C 57 36.286 37.881 -1.595 1
1 724 . 4 1 1 A 57 57 ILE N N 57 124.413 127.236 -2.823 1
1 725 . 4 1 1 A 58 58 VAL H H 58 8.931 8.531 0.400 1
1 726 . 4 1 1 A 58 58 VAL HA H 58 4.652 4.295 0.357 1
1 734 . 4 1 1 A 58 58 VAL C C 58 175.500 175.984 -0.484 1
1 735 . 4 1 1 A 58 58 VAL CA C 58 62.104 62.754 -0.650 1
1 736 . 4 1 1 A 58 58 VAL CB C 58 34.118 32.563 1.555 1
1 739 . 4 1 1 A 58 58 VAL N N 58 122.666 121.582 1.084 1
1 740 . 4 1 1 A 59 59 ARG H H 59 7.628 7.609 0.019 1
1 741 . 4 1 1 A 59 59 ARG HA H 59 4.667 4.799 -0.132 1
1 748 . 4 1 1 A 59 59 ARG C C 59 175.000 174.679 0.321 1
1 749 . 4 1 1 A 59 59 ARG CA C 59 55.579 54.252 1.327 1
1 750 . 4 1 1 A 59 59 ARG CB C 59 34.890 34.759 0.131 1
1 753 . 4 1 1 A 59 59 ARG N N 59 117.696 119.796 -2.100 1
1 754 . 4 1 1 A 60 60 VAL H H 60 8.647 8.452 0.195 1
1 755 . 4 1 1 A 60 60 VAL HA H 60 4.405 4.177 0.228 1
1 763 . 4 1 1 A 60 60 VAL C C 60 173.700 175.014 -1.314 1
1 764 . 4 1 1 A 60 60 VAL CA C 60 63.124 62.810 0.314 1
1 765 . 4 1 1 A 60 60 VAL CB C 60 32.087 32.553 -0.466 1
1 768 . 4 1 1 A 60 60 VAL N N 60 117.604 123.256 -5.652 1
1 769 . 4 1 1 A 61 61 HIS H H 61 8.397 8.783 -0.386 1
1 770 . 4 1 1 A 61 61 HIS HA H 61 4.796 4.975 -0.179 1
1 773 . 4 1 1 A 61 61 HIS C C 61 174.200 174.969 -0.769 1
1 774 . 4 1 1 A 61 61 HIS CA C 61 55.883 55.164 0.719 1
1 775 . 4 1 1 A 61 61 HIS CB C 61 33.995 33.237 0.758 1
1 776 . 4 1 1 A 61 61 HIS N N 61 124.046 126.785 -2.739 1
1 777 . 4 1 1 A 62 62 GLY H H 62 8.619 8.810 -0.191 1
1 778 . 4 1 1 A 62 62 GLY HA2 H 62 4.014 3.582 0.432 1
1 779 . 4 1 1 A 62 62 GLY HA3 H 62 3.771 3.685 0.086 1
1 780 . 4 1 1 A 62 62 GLY C C 62 176.300 174.346 1.954 1
1 781 . 4 1 1 A 62 62 GLY CA C 62 45.006 45.144 -0.138 1
1 782 . 4 1 1 A 62 62 GLY N N 62 114.965 114.797 0.168 1
1 783 . 4 1 1 A 63 63 THR H H 63 8.945 8.578 0.367 1
1 784 . 4 1 1 A 63 63 THR HA H 63 4.533 4.403 0.130 1
1 789 . 4 1 1 A 63 63 THR C C 63 175.200 174.255 0.945 1
1 790 . 4 1 1 A 63 63 THR CA C 63 61.793 62.060 -0.267 1
1 791 . 4 1 1 A 63 63 THR CB C 63 69.548 66.984 2.564 1
1 793 . 4 1 1 A 63 63 THR N N 63 111.112 114.020 -2.908 1
1 794 . 4 1 1 A 64 64 LYS H H 64 9.133 8.826 0.307 1
1 795 . 4 1 1 A 64 64 LYS HA H 64 4.588 3.973 0.615 1
1 802 . 4 1 1 A 64 64 LYS C C 64 175.500 175.350 0.150 1
1 803 . 4 1 1 A 64 64 LYS CA C 64 55.231 57.513 -2.282 1
1 804 . 4 1 1 A 64 64 LYS CB C 64 32.452 32.193 0.259 1
1 807 . 4 1 1 A 64 64 LYS N N 64 122.500 122.966 -0.466 1
1 808 . 4 1 1 A 65 65 GLY H H 65 7.987 7.912 0.075 1
1 809 . 4 1 1 A 65 65 GLY HA2 H 65 4.500 4.034 0.466 1
1 810 . 4 1 1 A 65 65 GLY HA3 H 65 3.135 4.054 -0.919 1
1 811 . 4 1 1 A 65 65 GLY C C 65 171.300 173.017 -1.717 1
1 812 . 4 1 1 A 65 65 GLY CA C 65 44.920 45.676 -0.756 1
1 813 . 4 1 1 A 65 65 GLY N N 65 106.884 107.424 -0.540 1
1 814 . 4 1 1 A 66 66 ALA H H 66 7.671 8.313 -0.642 1
1 815 . 4 1 1 A 66 66 ALA HA H 66 4.911 4.401 0.510 1
1 819 . 4 1 1 A 66 66 ALA C C 66 177.400 176.714 0.686 1
1 820 . 4 1 1 A 66 66 ALA CA C 66 52.232 51.837 0.395 1
1 821 . 4 1 1 A 66 66 ALA CB C 66 18.719 20.038 -1.319 1
1 822 . 4 1 1 A 66 66 ALA N N 66 115.951 125.409 -9.458 1
1 823 . 4 1 1 A 67 67 VAL H H 67 8.951 8.763 0.188 1
1 824 . 4 1 1 A 67 67 VAL HA H 67 4.875 4.867 0.008 1
1 832 . 4 1 1 A 67 67 VAL C C 67 173.400 173.847 -0.447 1
1 833 . 4 1 1 A 67 67 VAL CA C 67 59.368 59.307 0.061 1
1 834 . 4 1 1 A 67 67 VAL CB C 67 36.262 36.176 0.086 1
1 837 . 4 1 1 A 67 67 VAL N N 67 108.601 111.658 -3.057 1
1 838 . 4 1 1 A 68 68 ARG H H 68 9.043 9.024 0.019 1
1 839 . 4 1 1 A 68 68 ARG HA H 68 5.179 4.705 0.474 1
1 846 . 4 1 1 A 68 68 ARG C C 68 175.000 175.346 -0.346 1
1 847 . 4 1 1 A 68 68 ARG CA C 68 54.632 55.513 -0.881 1
1 848 . 4 1 1 A 68 68 ARG CB C 68 32.597 31.386 1.211 1
1 851 . 4 1 1 A 68 68 ARG N N 68 118.441 123.085 -4.644 1
1 852 . 4 1 1 A 69 69 ALA H H 69 9.561 8.336 1.225 1
1 853 . 4 1 1 A 69 69 ALA HA H 69 5.409 5.083 0.326 1
1 857 . 4 1 1 A 69 69 ALA C C 69 174.400 175.548 -1.148 1
1 858 . 4 1 1 A 69 69 ALA CA C 69 49.830 50.898 -1.068 1
1 859 . 4 1 1 A 69 69 ALA CB C 69 23.932 24.303 -0.371 1
1 860 . 4 1 1 A 69 69 ALA N N 69 126.495 126.507 -0.012 1
1 861 . 4 1 1 A 70 70 ARG H H 70 8.692 8.672 0.020 1
1 862 . 4 1 1 A 70 70 ARG HA H 70 5.169 4.819 0.350 1
1 869 . 4 1 1 A 70 70 ARG C C 70 175.700 174.274 1.426 1
1 870 . 4 1 1 A 70 70 ARG CA C 70 55.090 55.157 -0.067 1
1 871 . 4 1 1 A 70 70 ARG CB C 70 33.544 34.097 -0.553 1
1 874 . 4 1 1 A 70 70 ARG N N 70 122.321 121.278 1.043 1
1 875 . 4 1 1 A 71 71 PHE H H 71 9.442 9.158 0.284 1
1 876 . 4 1 1 A 71 71 PHE HA H 71 4.859 4.894 -0.035 1
1 879 . 4 1 1 A 71 71 PHE C C 71 175.700 176.411 -0.711 1
1 880 . 4 1 1 A 71 71 PHE CA C 71 57.465 56.830 0.635 1
1 881 . 4 1 1 A 71 71 PHE CB C 71 41.819 38.847 2.972 1
1 882 . 4 1 1 A 71 71 PHE N N 71 128.794 126.095 2.699 1
1 883 . 4 1 1 A 72 72 GLU H H 72 8.968 8.706 0.262 1
1 884 . 4 1 1 A 72 72 GLU HA H 72 4.242 3.679 0.563 1
1 889 . 4 1 1 A 72 72 GLU C C 72 176.500 178.167 -1.667 1
1 890 . 4 1 1 A 72 72 GLU CA C 72 58.604 58.867 -0.263 1
1 891 . 4 1 1 A 72 72 GLU CB C 72 30.263 28.942 1.321 1
1 893 . 4 1 1 A 72 72 GLU N N 72 121.197 123.958 -2.761 1
1 894 . 4 1 1 A 73 73 LYS H H 73 8.123 7.829 0.294 1
1 895 . 4 1 1 A 73 73 LYS HA H 73 4.514 4.188 0.326 1
1 904 . 4 1 1 A 73 73 LYS C C 73 175.300 177.098 -1.798 1
1 905 . 4 1 1 A 73 73 LYS CA C 73 54.839 58.124 -3.285 1
1 906 . 4 1 1 A 73 73 LYS CB C 73 34.555 32.854 1.701 1
1 910 . 4 1 1 A 73 73 LYS N N 73 117.266 117.084 0.182 1
1 911 . 4 1 1 A 74 74 GLY H H 74 8.138 7.673 0.465 1
1 912 . 4 1 1 A 74 74 GLY HA2 H 74 3.733 4.104 -0.371 1
1 913 . 4 1 1 A 74 74 GLY HA3 H 74 3.734 4.127 -0.393 1
1 914 . 4 1 1 A 74 74 GLY C C 74 173.300 172.818 0.482 1
1 915 . 4 1 1 A 74 74 GLY CA C 74 45.289 44.862 0.427 1
1 916 . 4 1 1 A 74 74 GLY N N 74 105.973 104.094 1.879 1
1 917 . 4 1 1 A 75 75 LEU H H 75 7.924 8.557 -0.633 1
1 918 . 4 1 1 A 75 75 LEU HA H 75 4.337 4.689 -0.352 1
1 928 . 4 1 1 A 75 75 LEU CA C 75 52.387 52.310 0.077 1
1 929 . 4 1 1 A 75 75 LEU CB C 75 41.391 41.419 -0.028 1
1 933 . 4 1 1 A 75 75 LEU N N 75 122.540 123.929 -1.389 1
1 934 . 4 1 1 A 76 76 PRO HA H 76 4.527 4.358 0.169 1
1 941 . 4 1 1 A 76 76 PRO C C 76 176.700 177.285 -0.585 1
1 942 . 4 1 1 A 76 76 PRO CA C 76 62.467 65.602 -3.135 1
1 943 . 4 1 1 A 76 76 PRO CB C 76 32.055 31.331 0.724 1
1 946 . 4 1 1 A 77 77 GLY H H 77 8.346 7.445 0.901 1
1 947 . 4 1 1 A 77 77 GLY HA2 H 77 3.912 3.813 0.099 1
1 948 . 4 1 1 A 77 77 GLY HA3 H 77 3.836 3.927 -0.091 1
1 949 . 4 1 1 A 77 77 GLY C C 77 174.900 174.745 0.155 1
1 950 . 4 1 1 A 77 77 GLY CA C 77 46.447 45.371 1.076 1
1 951 . 4 1 1 A 77 77 GLY N N 77 107.966 106.293 1.673 1
1 952 . 4 1 1 A 78 78 GLN H H 78 8.226 7.921 0.305 1
1 953 . 4 1 1 A 78 78 GLN HA H 78 4.244 4.260 -0.016 1
1 960 . 4 1 1 A 78 78 GLN C C 78 175.500 176.373 -0.873 1
1 961 . 4 1 1 A 78 78 GLN CA C 78 57.091 56.882 0.209 1
1 962 . 4 1 1 A 78 78 GLN CB C 78 28.933 29.570 -0.637 1
1 964 . 4 1 1 A 78 78 GLN N N 78 118.286 118.228 0.058 1
1 966 . 4 1 1 A 79 79 ALA H H 79 7.890 7.629 0.261 1
1 967 . 4 1 1 A 79 79 ALA HA H 79 4.211 4.392 -0.181 1
1 971 . 4 1 1 A 79 79 ALA C C 79 177.100 177.440 -0.340 1
1 972 . 4 1 1 A 79 79 ALA CA C 79 52.573 52.142 0.431 1
1 973 . 4 1 1 A 79 79 ALA CB C 79 19.067 18.223 0.844 1
1 974 . 4 1 1 A 79 79 ALA N N 79 122.012 121.840 0.172 1
1 975 . 4 1 1 A 80 80 LEU H H 80 7.340 7.681 -0.341 1
1 976 . 4 1 1 A 80 80 LEU HA H 80 3.548 4.007 -0.459 1
1 986 . 4 1 1 A 80 80 LEU C C 80 178.200 178.064 0.136 1
1 987 . 4 1 1 A 80 80 LEU CA C 80 57.059 57.381 -0.322 1
1 988 . 4 1 1 A 80 80 LEU CB C 80 41.010 42.034 -1.024 1
1 992 . 4 1 1 A 80 80 LEU N N 80 117.413 120.173 -2.760 1
1 993 . 4 1 1 A 81 81 GLY H H 81 8.704 7.861 0.843 1
1 994 . 4 1 1 A 81 81 GLY HA2 H 81 3.477 4.055 -0.578 1
1 995 . 4 1 1 A 81 81 GLY HA3 H 81 4.176 4.085 0.091 1
1 996 . 4 1 1 A 81 81 GLY C C 81 173.200 173.260 -0.060 1
1 997 . 4 1 1 A 81 81 GLY CA C 81 45.500 45.404 0.096 1
1 998 . 4 1 1 A 81 81 GLY N N 81 113.076 105.627 7.449 1
1 999 . 4 1 1 A 82 82 ASP H H 82 8.092 7.699 0.393 1
1 1000 . 4 1 1 A 82 82 ASP HA H 82 4.711 4.794 -0.083 1
1 1003 . 4 1 1 A 82 82 ASP C C 82 175.400 175.896 -0.496 1
1 1004 . 4 1 1 A 82 82 ASP CA C 82 53.447 54.376 -0.929 1
1 1005 . 4 1 1 A 82 82 ASP CB C 82 42.306 41.728 0.578 1
1 1006 . 4 1 1 A 82 82 ASP N N 82 120.648 122.233 -1.585 1
1 1007 . 4 1 1 A 83 83 TYR H H 83 8.637 8.749 -0.112 1
1 1008 . 4 1 1 A 83 83 TYR HA H 83 5.725 4.669 1.056 1
1 1011 . 4 1 1 A 83 83 TYR C C 83 176.800 175.957 0.843 1
1 1012 . 4 1 1 A 83 83 TYR CA C 83 57.359 59.472 -2.113 1
1 1013 . 4 1 1 A 83 83 TYR CB C 83 40.594 39.331 1.263 1
1 1014 . 4 1 1 A 83 83 TYR N N 83 117.015 124.804 -7.789 1
1 1015 . 4 1 1 A 84 84 VAL H H 84 8.747 8.727 0.020 1
1 1016 . 4 1 1 A 84 84 VAL HA H 84 5.006 5.172 -0.166 1
1 1024 . 4 1 1 A 84 84 VAL C C 84 175.200 174.853 0.347 1
1 1025 . 4 1 1 A 84 84 VAL CA C 84 58.855 60.355 -1.500 1
1 1026 . 4 1 1 A 84 84 VAL CB C 84 35.371 33.605 1.766 1
1 1029 . 4 1 1 A 84 84 VAL N N 84 111.283 119.133 -7.850 1
1 1030 . 4 1 1 A 85 85 GLU H H 85 8.384 8.722 -0.338 1
1 1031 . 4 1 1 A 85 85 GLU HA H 85 5.129 5.371 -0.242 1
1 1036 . 4 1 1 A 85 85 GLU C C 85 174.900 175.483 -0.583 1
1 1037 . 4 1 1 A 85 85 GLU CA C 85 55.209 54.694 0.515 1
1 1038 . 4 1 1 A 85 85 GLU CB C 85 33.531 34.353 -0.822 1
1 1040 . 4 1 1 A 85 85 GLU N N 85 118.476 120.834 -2.358 1
1 1041 . 4 1 1 A 86 86 ILE H H 86 9.344 9.013 0.331 1
1 1042 . 4 1 1 A 86 86 ILE HA H 86 4.951 4.476 0.475 1
1 1052 . 4 1 1 A 86 86 ILE C C 86 176.000 175.266 0.734 1
1 1053 . 4 1 1 A 86 86 ILE CA C 86 60.535 60.715 -0.180 1
1 1054 . 4 1 1 A 86 86 ILE CB C 86 39.154 36.614 2.540 1
1 1058 . 4 1 1 A 86 86 ILE N N 86 124.495 123.257 1.238 1
1 1 . 5 1 1 A 2 2 ARG HA H 2 5.159 4.375 0.784 1
1 8 . 5 1 1 A 2 2 ARG C C 2 175.500 175.658 -0.158 1
1 9 . 5 1 1 A 2 2 ARG CA C 2 55.183 55.798 -0.615 1
1 10 . 5 1 1 A 2 2 ARG CB C 2 32.737 31.201 1.536 1
1 13 . 5 1 1 A 3 3 ILE H H 3 8.800 8.283 0.517 1
1 14 . 5 1 1 A 3 3 ILE HA H 3 4.674 4.900 -0.226 1
1 24 . 5 1 1 A 3 3 ILE C C 3 175.000 174.959 0.041 1
1 25 . 5 1 1 A 3 3 ILE CA C 3 60.050 59.526 0.524 1
1 26 . 5 1 1 A 3 3 ILE CB C 3 41.249 40.444 0.805 1
1 30 . 5 1 1 A 3 3 ILE N N 3 119.700 122.154 -2.454 1
1 31 . 5 1 1 A 4 4 LYS H H 4 8.864 9.018 -0.154 1
1 32 . 5 1 1 A 4 4 LYS HA H 4 5.180 5.503 -0.323 1
1 41 . 5 1 1 A 4 4 LYS C C 4 176.800 174.902 1.898 1
1 42 . 5 1 1 A 4 4 LYS CA C 4 55.798 54.990 0.808 1
1 43 . 5 1 1 A 4 4 LYS CB C 4 35.471 35.246 0.225 1
1 47 . 5 1 1 A 4 4 LYS N N 4 123.785 121.244 2.541 1
1 48 . 5 1 1 A 5 5 GLY H H 5 8.662 9.061 -0.399 1
1 49 . 5 1 1 A 5 5 GLY HA2 H 5 3.122 4.134 -1.012 1
1 50 . 5 1 1 A 5 5 GLY HA3 H 5 5.139 4.169 0.970 1
1 51 . 5 1 1 A 5 5 GLY C C 5 170.800 172.588 -1.788 1
1 52 . 5 1 1 A 5 5 GLY CA C 5 44.967 44.009 0.958 1
1 53 . 5 1 1 A 5 5 GLY N N 5 107.023 109.589 -2.566 1
1 54 . 5 1 1 A 6 6 VAL H H 6 8.168 8.320 -0.152 1
1 55 . 5 1 1 A 6 6 VAL HA H 6 4.936 4.357 0.579 1
1 63 . 5 1 1 A 6 6 VAL C C 6 175.100 174.811 0.289 1
1 64 . 5 1 1 A 6 6 VAL CA C 6 60.066 60.437 -0.371 1
1 65 . 5 1 1 A 6 6 VAL CB C 6 35.501 35.292 0.209 1
1 68 . 5 1 1 A 6 6 VAL N N 6 118.930 119.943 -1.013 1
1 69 . 5 1 1 A 7 7 VAL H H 7 8.663 8.949 -0.286 1
1 70 . 5 1 1 A 7 7 VAL HA H 7 3.771 4.135 -0.364 1
1 78 . 5 1 1 A 7 7 VAL C C 7 176.020 176.778 -0.758 1
1 79 . 5 1 1 A 7 7 VAL CA C 7 63.861 62.721 1.140 1
1 80 . 5 1 1 A 7 7 VAL CB C 7 31.549 32.144 -0.595 1
1 83 . 5 1 1 A 7 7 VAL N N 7 126.733 126.589 0.144 1
1 84 . 5 1 1 A 8 8 LEU H H 8 9.077 8.790 0.287 1
1 85 . 5 1 1 A 8 8 LEU HA H 8 4.396 4.652 -0.256 1
1 95 . 5 1 1 A 8 8 LEU C C 8 177.000 176.648 0.352 1
1 96 . 5 1 1 A 8 8 LEU CA C 8 55.871 54.646 1.225 1
1 97 . 5 1 1 A 8 8 LEU CB C 8 43.337 44.076 -0.739 1
1 101 . 5 1 1 A 8 8 LEU N N 8 128.947 121.515 7.432 1
1 102 . 5 1 1 A 9 9 SER H H 9 7.409 7.612 -0.203 1
1 103 . 5 1 1 A 9 9 SER HA H 9 4.347 4.748 -0.401 1
1 106 . 5 1 1 A 9 9 SER C C 9 172.900 171.647 1.253 1
1 107 . 5 1 1 A 9 9 SER CA C 9 57.866 57.710 0.156 1
1 108 . 5 1 1 A 9 9 SER CB C 9 64.173 65.467 -1.294 1
1 109 . 5 1 1 A 9 9 SER N N 9 108.469 112.463 -3.994 1
1 110 . 5 1 1 A 10 10 TYR H H 10 8.464 8.953 -0.489 1
1 111 . 5 1 1 A 10 10 TYR HA H 10 5.064 5.131 -0.067 1
1 114 . 5 1 1 A 10 10 TYR C C 10 175.400 174.209 1.191 1
1 115 . 5 1 1 A 10 10 TYR CA C 10 57.258 56.959 0.299 1
1 116 . 5 1 1 A 10 10 TYR CB C 10 40.325 41.056 -0.731 1
1 117 . 5 1 1 A 10 10 TYR N N 10 121.190 127.651 -6.461 1
1 118 . 5 1 1 A 11 11 ARG H H 11 8.545 7.800 0.745 1
1 119 . 5 1 1 A 11 11 ARG HA H 11 4.441 4.669 -0.228 1
1 126 . 5 1 1 A 11 11 ARG C C 11 174.800 175.284 -0.484 1
1 127 . 5 1 1 A 11 11 ARG CA C 11 55.308 55.053 0.255 1
1 128 . 5 1 1 A 11 11 ARG CB C 11 31.551 33.655 -2.104 1
1 131 . 5 1 1 A 11 11 ARG N N 11 124.044 126.497 -2.453 1
1 132 . 5 1 1 A 12 12 ARG H H 12 8.562 8.511 0.051 1
1 133 . 5 1 1 A 12 12 ARG HA H 12 4.577 4.291 0.286 1
1 140 . 5 1 1 A 12 12 ARG C C 12 176.100 175.787 0.313 1
1 141 . 5 1 1 A 12 12 ARG CA C 12 55.803 55.895 -0.092 1
1 142 . 5 1 1 A 12 12 ARG CB C 12 31.265 29.203 2.062 1
1 145 . 5 1 1 A 12 12 ARG N N 12 124.990 125.090 -0.100 1
1 146 . 5 1 1 A 13 13 SER H H 13 8.485 8.285 0.200 1
1 147 . 5 1 1 A 13 13 SER HA H 13 4.542 4.415 0.127 1
1 150 . 5 1 1 A 13 13 SER C C 13 175.000 172.855 2.145 1
1 151 . 5 1 1 A 13 13 SER CA C 13 57.790 58.099 -0.309 1
1 152 . 5 1 1 A 13 13 SER CB C 13 64.666 63.321 1.345 1
1 153 . 5 1 1 A 13 13 SER N N 13 118.058 115.607 2.451 1
1 154 . 5 1 1 A 14 14 LYS H H 14 8.663 8.392 0.271 1
1 155 . 5 1 1 A 14 14 LYS HA H 14 4.178 4.656 -0.478 1
1 164 . 5 1 1 A 14 14 LYS C C 14 177.400 175.526 1.874 1
1 165 . 5 1 1 A 14 14 LYS CA C 14 57.997 55.607 2.390 1
1 166 . 5 1 1 A 14 14 LYS CB C 14 32.686 32.638 0.048 1
1 170 . 5 1 1 A 14 14 LYS N N 14 123.187 122.671 0.516 1
1 171 . 5 1 1 A 15 15 GLU H H 15 8.525 8.111 0.414 1
1 172 . 5 1 1 A 15 15 GLU HA H 15 4.217 4.630 -0.413 1
1 177 . 5 1 1 A 15 15 GLU C C 15 176.300 174.936 1.364 1
1 178 . 5 1 1 A 15 15 GLU CA C 15 57.504 57.916 -0.412 1
1 179 . 5 1 1 A 15 15 GLU CB C 15 29.654 31.916 -2.262 1
1 181 . 5 1 1 A 15 15 GLU N N 15 118.364 121.885 -3.521 1
1 182 . 5 1 1 A 16 16 ASN H H 16 7.985 8.206 -0.221 1
1 183 . 5 1 1 A 16 16 ASN HA H 16 4.690 5.024 -0.334 1
1 188 . 5 1 1 A 16 16 ASN C C 16 175.100 175.074 0.026 1
1 189 . 5 1 1 A 16 16 ASN CA C 16 53.363 51.742 1.621 1
1 190 . 5 1 1 A 16 16 ASN CB C 16 39.022 41.465 -2.443 1
1 191 . 5 1 1 A 16 16 ASN N N 16 117.467 115.777 1.690 1
1 193 . 5 1 1 A 17 17 GLN H H 17 8.384 8.877 -0.493 1
1 194 . 5 1 1 A 17 17 GLN HA H 17 4.256 4.024 0.232 1
1 201 . 5 1 1 A 17 17 GLN C C 17 175.800 175.598 0.202 1
1 202 . 5 1 1 A 17 17 GLN CA C 17 56.678 58.111 -1.433 1
1 203 . 5 1 1 A 17 17 GLN CB C 17 29.071 27.520 1.551 1
1 205 . 5 1 1 A 17 17 GLN N N 17 119.788 117.009 2.779 1
1 207 . 5 1 1 A 18 18 HIS H H 18 8.209 8.150 0.059 1
1 208 . 5 1 1 A 18 18 HIS HA H 18 4.683 4.793 -0.110 1
1 211 . 5 1 1 A 18 18 HIS C C 18 175.080 174.261 0.819 1
1 212 . 5 1 1 A 18 18 HIS CA C 18 55.839 54.852 0.987 1
1 213 . 5 1 1 A 18 18 HIS CB C 18 30.460 31.047 -0.587 1
1 214 . 5 1 1 A 18 18 HIS N N 18 117.984 120.949 -2.965 1
1 215 . 5 1 1 A 19 19 ASN H H 19 8.430 7.710 0.720 1
1 216 . 5 1 1 A 19 19 ASN HA H 19 4.813 4.483 0.330 1
1 221 . 5 1 1 A 19 19 ASN C C 19 174.300 174.932 -0.632 1
1 222 . 5 1 1 A 19 19 ASN CA C 19 53.172 54.197 -1.025 1
1 223 . 5 1 1 A 19 19 ASN CB C 19 38.503 38.669 -0.166 1
1 224 . 5 1 1 A 19 19 ASN N N 19 122.300 119.250 3.050 1
1 226 . 5 1 1 A 20 20 ASN H H 20 8.353 8.732 -0.379 1
1 227 . 5 1 1 A 20 20 ASN HA H 20 4.828 4.890 -0.062 1
1 232 . 5 1 1 A 20 20 ASN C C 20 174.000 174.072 -0.072 1
1 233 . 5 1 1 A 20 20 ASN CA C 20 53.292 53.025 0.267 1
1 234 . 5 1 1 A 20 20 ASN CB C 20 38.896 38.938 -0.042 1
1 235 . 5 1 1 A 20 20 ASN N N 20 117.387 121.936 -4.549 1
1 237 . 5 1 1 A 21 21 VAL H H 21 8.285 8.691 -0.406 1
1 238 . 5 1 1 A 21 21 VAL HA H 21 5.090 4.838 0.252 1
1 246 . 5 1 1 A 21 21 VAL C C 21 174.900 174.510 0.390 1
1 247 . 5 1 1 A 21 21 VAL CA C 21 61.409 60.889 0.520 1
1 248 . 5 1 1 A 21 21 VAL CB C 21 33.979 33.698 0.281 1
1 251 . 5 1 1 A 21 21 VAL N N 21 120.718 124.850 -4.132 1
1 252 . 5 1 1 A 22 22 MET H H 22 9.083 8.686 0.397 1
1 253 . 5 1 1 A 22 22 MET HA H 22 5.073 4.902 0.171 1
1 258 . 5 1 1 A 22 22 MET C C 22 174.600 173.816 0.784 1
1 259 . 5 1 1 A 22 22 MET CA C 22 53.096 53.665 -0.569 1
1 260 . 5 1 1 A 22 22 MET CB C 22 36.612 35.608 1.004 1
1 262 . 5 1 1 A 22 22 MET N N 22 123.693 122.677 1.016 1
1 263 . 5 1 1 A 23 23 ILE H H 23 8.761 8.551 0.210 1
1 264 . 5 1 1 A 23 23 ILE HA H 23 4.738 4.771 -0.033 1
1 274 . 5 1 1 A 23 23 ILE C C 23 175.500 175.159 0.341 1
1 275 . 5 1 1 A 23 23 ILE CA C 23 59.230 60.560 -1.330 1
1 276 . 5 1 1 A 23 23 ILE CB C 23 36.022 38.942 -2.920 1
1 280 . 5 1 1 A 23 23 ILE N N 23 123.898 121.588 2.310 1
1 281 . 5 1 1 A 24 24 ILE H H 24 9.048 8.929 0.119 1
1 282 . 5 1 1 A 24 24 ILE HA H 24 4.881 4.849 0.032 1
1 292 . 5 1 1 A 24 24 ILE C C 24 174.200 175.119 -0.919 1
1 293 . 5 1 1 A 24 24 ILE CA C 24 58.256 59.350 -1.094 1
1 294 . 5 1 1 A 24 24 ILE CB C 24 42.799 41.903 0.896 1
1 298 . 5 1 1 A 24 24 ILE N N 24 126.877 127.266 -0.389 1
1 299 . 5 1 1 A 25 25 LYS H H 25 9.205 8.532 0.673 1
1 300 . 5 1 1 A 25 25 LYS HA H 25 5.109 4.910 0.199 1
1 305 . 5 1 1 A 25 25 LYS CA C 25 50.908 52.920 -2.012 1
1 306 . 5 1 1 A 25 25 LYS CB C 25 34.893 34.822 0.071 1
1 307 . 5 1 1 A 25 25 LYS N N 25 127.192 126.151 1.041 1
1 308 . 5 1 1 A 26 26 PRO HA H 26 4.823 4.545 0.278 1
1 315 . 5 1 1 A 26 26 PRO C C 26 177.300 177.412 -0.112 1
1 316 . 5 1 1 A 26 26 PRO CA C 26 61.185 62.397 -1.212 1
1 317 . 5 1 1 A 26 26 PRO CB C 26 30.625 29.648 0.977 1
1 320 . 5 1 1 A 27 27 LEU H H 27 8.861 8.508 0.353 1
1 321 . 5 1 1 A 27 27 LEU HA H 27 4.101 4.142 -0.041 1
1 331 . 5 1 1 A 27 27 LEU C C 27 177.800 177.433 0.367 1
1 332 . 5 1 1 A 27 27 LEU CA C 27 57.590 58.185 -0.595 1
1 333 . 5 1 1 A 27 27 LEU CB C 27 40.721 41.904 -1.183 1
1 337 . 5 1 1 A 27 27 LEU N N 27 127.814 124.605 3.209 1
1 338 . 5 1 1 A 28 28 ASP H H 28 8.818 7.884 0.934 1
1 339 . 5 1 1 A 28 28 ASP HA H 28 4.477 4.676 -0.199 1
1 342 . 5 1 1 A 28 28 ASP C C 28 174.500 176.742 -2.242 1
1 343 . 5 1 1 A 28 28 ASP CA C 28 55.417 55.632 -0.215 1
1 344 . 5 1 1 A 28 28 ASP CB C 28 40.527 41.536 -1.009 1
1 345 . 5 1 1 A 28 28 ASP N N 28 114.920 117.148 -2.228 1
1 346 . 5 1 1 A 29 29 VAL H H 29 7.004 7.925 -0.921 1
1 347 . 5 1 1 A 29 29 VAL HA H 29 4.164 3.712 0.452 1
1 355 . 5 1 1 A 29 29 VAL C C 29 175.600 175.979 -0.379 1
1 356 . 5 1 1 A 29 29 VAL CA C 29 62.553 63.047 -0.494 1
1 357 . 5 1 1 A 29 29 VAL CB C 29 32.711 29.855 2.856 1
1 360 . 5 1 1 A 29 29 VAL N N 29 119.689 116.945 2.744 1
1 361 . 5 1 1 A 30 30 ASN H H 30 8.802 8.430 0.372 1
1 362 . 5 1 1 A 30 30 ASN HA H 30 5.409 4.896 0.513 1
1 367 . 5 1 1 A 30 30 ASN C C 30 173.400 174.436 -1.036 1
1 368 . 5 1 1 A 30 30 ASN CA C 30 53.262 52.981 0.281 1
1 369 . 5 1 1 A 30 30 ASN CB C 30 41.186 38.017 3.169 1
1 370 . 5 1 1 A 30 30 ASN N N 30 122.479 118.405 4.074 1
1 372 . 5 1 1 A 31 31 SER H H 31 7.329 7.624 -0.295 1
1 373 . 5 1 1 A 31 31 SER HA H 31 4.878 4.797 0.081 1
1 376 . 5 1 1 A 31 31 SER C C 31 173.700 174.289 -0.589 1
1 377 . 5 1 1 A 31 31 SER CA C 31 56.428 57.519 -1.091 1
1 378 . 5 1 1 A 31 31 SER CB C 31 67.086 66.052 1.034 1
1 379 . 5 1 1 A 31 31 SER N N 31 109.583 114.225 -4.642 1
1 380 . 5 1 1 A 32 32 ARG H H 32 8.688 8.810 -0.122 1
1 381 . 5 1 1 A 32 32 ARG HA H 32 4.229 3.877 0.352 1
1 388 . 5 1 1 A 32 32 ARG C C 32 178.300 177.838 0.462 1
1 389 . 5 1 1 A 32 32 ARG CA C 32 58.914 59.453 -0.539 1
1 390 . 5 1 1 A 32 32 ARG CB C 32 30.785 29.864 0.921 1
1 393 . 5 1 1 A 32 32 ARG N N 32 123.538 126.941 -3.403 1
1 394 . 5 1 1 A 33 33 GLU H H 33 9.157 8.582 0.575 1
1 395 . 5 1 1 A 33 33 GLU HA H 33 4.012 4.090 -0.078 1
1 400 . 5 1 1 A 33 33 GLU C C 33 179.900 179.161 0.739 1
1 401 . 5 1 1 A 33 33 GLU CA C 33 60.615 59.133 1.482 1
1 402 . 5 1 1 A 33 33 GLU CB C 33 28.895 29.221 -0.326 1
1 404 . 5 1 1 A 33 33 GLU N N 33 120.517 119.071 1.446 1
1 405 . 5 1 1 A 34 34 GLU H H 34 7.623 7.975 -0.352 1
1 406 . 5 1 1 A 34 34 GLU HA H 34 4.096 4.018 0.078 1
1 411 . 5 1 1 A 34 34 GLU C C 34 179.100 179.100 0.000 1
1 412 . 5 1 1 A 34 34 GLU CA C 34 58.647 58.912 -0.265 1
1 413 . 5 1 1 A 34 34 GLU CB C 34 30.874 29.817 1.057 1
1 415 . 5 1 1 A 34 34 GLU N N 34 118.275 119.763 -1.488 1
1 416 . 5 1 1 A 35 35 ALA H H 35 8.131 8.595 -0.464 1
1 417 . 5 1 1 A 35 35 ALA HA H 35 3.828 4.086 -0.258 1
1 421 . 5 1 1 A 35 35 ALA C C 35 179.800 179.676 0.124 1
1 422 . 5 1 1 A 35 35 ALA CA C 35 55.337 55.288 0.049 1
1 423 . 5 1 1 A 35 35 ALA CB C 35 18.361 18.624 -0.263 1
1 424 . 5 1 1 A 35 35 ALA N N 35 123.551 122.986 0.565 1
1 425 . 5 1 1 A 36 36 SER H H 36 8.279 8.715 -0.436 1
1 426 . 5 1 1 A 36 36 SER HA H 36 3.875 4.086 -0.211 1
1 429 . 5 1 1 A 36 36 SER C C 36 176.100 177.170 -1.070 1
1 430 . 5 1 1 A 36 36 SER CA C 36 61.573 60.987 0.586 1
1 431 . 5 1 1 A 36 36 SER CB C 36 63.126 63.143 -0.017 1
1 432 . 5 1 1 A 36 36 SER N N 36 112.905 113.080 -0.175 1
1 433 . 5 1 1 A 37 37 LYS H H 37 7.120 7.625 -0.505 1
1 434 . 5 1 1 A 37 37 LYS HA H 37 4.203 4.070 0.133 1
1 443 . 5 1 1 A 37 37 LYS C C 37 177.100 178.333 -1.233 1
1 444 . 5 1 1 A 37 37 LYS CA C 37 57.553 58.042 -0.489 1
1 445 . 5 1 1 A 37 37 LYS CB C 37 32.178 32.357 -0.179 1
1 449 . 5 1 1 A 37 37 LYS N N 37 119.081 121.401 -2.320 1
1 450 . 5 1 1 A 38 38 LEU H H 38 7.877 7.769 0.108 1
1 451 . 5 1 1 A 38 38 LEU HA H 38 4.138 4.192 -0.054 1
1 461 . 5 1 1 A 38 38 LEU C C 38 176.400 177.145 -0.745 1
1 462 . 5 1 1 A 38 38 LEU CA C 38 54.225 56.757 -2.532 1
1 463 . 5 1 1 A 38 38 LEU CB C 38 42.192 41.985 0.207 1
1 467 . 5 1 1 A 38 38 LEU N N 38 115.729 120.347 -4.618 1
1 468 . 5 1 1 A 39 39 ILE H H 39 6.958 7.135 -0.177 1
1 469 . 5 1 1 A 39 39 ILE HA H 39 3.252 3.803 -0.551 1
1 479 . 5 1 1 A 39 39 ILE C C 39 177.100 177.159 -0.059 1
1 480 . 5 1 1 A 39 39 ILE CA C 39 63.952 64.017 -0.065 1
1 481 . 5 1 1 A 39 39 ILE CB C 39 36.338 37.480 -1.142 1
1 485 . 5 1 1 A 39 39 ILE N N 39 118.446 120.145 -1.699 1
1 486 . 5 1 1 A 40 40 GLY H H 40 8.877 8.924 -0.047 1
1 487 . 5 1 1 A 40 40 GLY HA2 H 40 4.518 3.972 0.546 1
1 488 . 5 1 1 A 40 40 GLY HA3 H 40 3.611 3.979 -0.368 1
1 489 . 5 1 1 A 40 40 GLY C C 40 174.600 174.849 -0.249 1
1 490 . 5 1 1 A 40 40 GLY CA C 40 44.763 44.955 -0.192 1
1 491 . 5 1 1 A 40 40 GLY N N 40 115.966 115.721 0.245 1
1 492 . 5 1 1 A 41 41 ARG H H 41 7.939 7.677 0.262 1
1 493 . 5 1 1 A 41 41 ARG HA H 41 4.481 4.237 0.244 1
1 500 . 5 1 1 A 41 41 ARG C C 41 175.000 174.837 0.163 1
1 501 . 5 1 1 A 41 41 ARG CA C 41 56.298 56.492 -0.194 1
1 502 . 5 1 1 A 41 41 ARG CB C 41 30.619 31.760 -1.141 1
1 505 . 5 1 1 A 41 41 ARG N N 41 118.629 120.370 -1.741 1
1 506 . 5 1 1 A 42 42 LEU H H 42 8.400 8.682 -0.282 1
1 507 . 5 1 1 A 42 42 LEU HA H 42 4.773 4.889 -0.116 1
1 517 . 5 1 1 A 42 42 LEU C C 42 175.200 175.307 -0.107 1
1 518 . 5 1 1 A 42 42 LEU CA C 42 54.561 53.622 0.939 1
1 519 . 5 1 1 A 42 42 LEU CB C 42 44.111 44.218 -0.107 1
1 523 . 5 1 1 A 42 42 LEU N N 42 121.347 123.764 -2.417 1
1 524 . 5 1 1 A 43 43 VAL H H 43 8.189 8.727 -0.538 1
1 525 . 5 1 1 A 43 43 VAL HA H 43 5.045 4.674 0.371 1
1 533 . 5 1 1 A 43 43 VAL C C 43 173.800 174.362 -0.562 1
1 534 . 5 1 1 A 43 43 VAL CA C 43 59.401 61.163 -1.762 1
1 535 . 5 1 1 A 43 43 VAL CB C 43 34.438 32.783 1.655 1
1 538 . 5 1 1 A 43 43 VAL N N 43 120.875 123.461 -2.586 1
1 539 . 5 1 1 A 44 44 LEU H H 44 9.320 9.129 0.191 1
1 540 . 5 1 1 A 44 44 LEU HA H 44 5.371 5.260 0.111 1
1 550 . 5 1 1 A 44 44 LEU C C 44 176.600 175.178 1.422 1
1 551 . 5 1 1 A 44 44 LEU CA C 44 53.600 53.427 0.173 1
1 552 . 5 1 1 A 44 44 LEU CB C 44 44.381 44.089 0.292 1
1 556 . 5 1 1 A 44 44 LEU N N 44 124.820 128.941 -4.121 1
1 557 . 5 1 1 A 45 45 TRP H H 45 9.251 9.068 0.183 1
1 558 . 5 1 1 A 45 45 TRP HA H 45 5.023 5.127 -0.104 1
1 561 . 5 1 1 A 45 45 TRP C C 45 173.100 175.079 -1.979 1
1 562 . 5 1 1 A 45 45 TRP CA C 45 57.182 55.474 1.708 1
1 563 . 5 1 1 A 45 45 TRP CB C 45 31.353 30.699 0.654 1
1 564 . 5 1 1 A 45 45 TRP N N 45 125.368 130.187 -4.819 1
1 565 . 5 1 1 A 46 46 LYS H H 46 8.064 8.469 -0.405 1
1 566 . 5 1 1 A 46 46 LYS HA H 46 4.314 4.451 -0.137 1
1 575 . 5 1 1 A 46 46 LYS C C 46 173.800 175.479 -1.679 1
1 576 . 5 1 1 A 46 46 LYS CA C 46 55.132 55.622 -0.490 1
1 577 . 5 1 1 A 46 46 LYS CB C 46 32.714 32.908 -0.194 1
1 580 . 5 1 1 A 46 46 LYS N N 46 129.540 129.430 0.110 1
1 581 . 5 1 1 A 47 47 SER H H 47 8.208 7.740 0.468 1
1 582 . 5 1 1 A 47 47 SER HA H 47 3.245 3.569 -0.324 1
1 585 . 5 1 1 A 47 47 SER CA C 47 56.564 55.625 0.939 1
1 586 . 5 1 1 A 47 47 SER CB C 47 63.584 62.871 0.713 1
1 587 . 5 1 1 A 47 47 SER N N 47 124.549 122.085 2.464 1
1 588 . 5 1 1 A 48 48 PRO HA H 48 4.286 4.227 0.059 1
1 595 . 5 1 1 A 48 48 PRO C C 48 177.500 177.220 0.280 1
1 596 . 5 1 1 A 48 48 PRO CA C 48 65.461 63.215 2.246 1
1 597 . 5 1 1 A 48 48 PRO CB C 48 31.723 31.280 0.443 1
1 600 . 5 1 1 A 49 49 SER H H 49 7.754 8.076 -0.322 1
1 601 . 5 1 1 A 49 49 SER HA H 49 4.414 4.182 0.232 1
1 604 . 5 1 1 A 49 49 SER C C 49 175.200 174.311 0.889 1
1 605 . 5 1 1 A 49 49 SER CA C 49 58.552 58.727 -0.175 1
1 606 . 5 1 1 A 49 49 SER CB C 49 63.820 61.129 2.691 1
1 607 . 5 1 1 A 49 49 SER N N 49 109.700 119.658 -9.958 1
1 608 . 5 1 1 A 50 50 GLY H H 50 8.194 7.682 0.512 1
1 609 . 5 1 1 A 50 50 GLY HA2 H 50 3.314 4.116 -0.802 1
1 610 . 5 1 1 A 50 50 GLY HA3 H 50 4.354 4.116 0.238 1
1 611 . 5 1 1 A 50 50 GLY C C 50 173.700 174.142 -0.442 1
1 612 . 5 1 1 A 50 50 GLY CA C 50 45.031 46.002 -0.971 1
1 613 . 5 1 1 A 50 50 GLY N N 50 111.568 108.610 2.958 1
1 614 . 5 1 1 A 51 51 LYS H H 51 7.246 7.569 -0.323 1
1 615 . 5 1 1 A 51 51 LYS HA H 51 4.246 4.677 -0.431 1
1 624 . 5 1 1 A 51 51 LYS C C 51 175.900 174.533 1.367 1
1 625 . 5 1 1 A 51 51 LYS CA C 51 55.948 55.692 0.256 1
1 626 . 5 1 1 A 51 51 LYS CB C 51 32.893 35.732 -2.839 1
1 630 . 5 1 1 A 51 51 LYS N N 51 120.424 118.100 2.324 1
1 631 . 5 1 1 A 52 52 ILE H H 52 8.718 8.735 -0.017 1
1 632 . 5 1 1 A 52 52 ILE HA H 52 4.670 4.377 0.293 1
1 642 . 5 1 1 A 52 52 ILE C C 52 176.100 175.683 0.417 1
1 643 . 5 1 1 A 52 52 ILE CA C 52 60.261 60.619 -0.358 1
1 644 . 5 1 1 A 52 52 ILE CB C 52 38.268 37.538 0.730 1
1 648 . 5 1 1 A 52 52 ILE N N 52 125.588 127.649 -2.061 1
1 649 . 5 1 1 A 53 53 LEU H H 53 9.558 8.979 0.579 1
1 650 . 5 1 1 A 53 53 LEU HA H 53 4.930 5.009 -0.079 1
1 660 . 5 1 1 A 53 53 LEU C C 53 175.800 176.032 -0.232 1
1 661 . 5 1 1 A 53 53 LEU CA C 53 54.305 53.625 0.680 1
1 662 . 5 1 1 A 53 53 LEU CB C 53 44.080 44.362 -0.282 1
1 666 . 5 1 1 A 53 53 LEU N N 53 131.583 129.200 2.383 1
1 667 . 5 1 1 A 54 54 LYS H H 54 8.746 9.072 -0.326 1
1 668 . 5 1 1 A 54 54 LYS HA H 54 5.463 5.551 -0.088 1
1 677 . 5 1 1 A 54 54 LYS C C 54 176.200 175.266 0.934 1
1 678 . 5 1 1 A 54 54 LYS CA C 54 55.474 55.046 0.428 1
1 679 . 5 1 1 A 54 54 LYS CB C 54 35.349 34.892 0.457 1
1 683 . 5 1 1 A 54 54 LYS N N 54 120.463 120.030 0.433 1
1 684 . 5 1 1 A 55 55 GLY H H 55 9.217 8.493 0.724 1
1 685 . 5 1 1 A 55 55 GLY HA2 H 55 4.347 3.139 1.208 1
1 686 . 5 1 1 A 55 55 GLY HA3 H 55 1.960 3.824 -1.864 1
1 687 . 5 1 1 A 55 55 GLY C C 55 172.400 172.235 0.165 1
1 688 . 5 1 1 A 55 55 GLY CA C 55 43.890 43.873 0.017 1
1 689 . 5 1 1 A 55 55 GLY N N 55 114.284 109.619 4.665 1
1 690 . 5 1 1 A 56 56 LYS H H 56 8.015 7.993 0.022 1
1 691 . 5 1 1 A 56 56 LYS HA H 56 5.145 4.781 0.364 1
1 700 . 5 1 1 A 56 56 LYS C C 56 176.000 174.951 1.049 1
1 701 . 5 1 1 A 56 56 LYS CA C 56 54.614 55.354 -0.740 1
1 702 . 5 1 1 A 56 56 LYS CB C 56 36.639 36.086 0.553 1
1 706 . 5 1 1 A 56 56 LYS N N 56 118.868 120.324 -1.456 1
1 707 . 5 1 1 A 57 57 ILE H H 57 8.693 8.458 0.235 1
1 708 . 5 1 1 A 57 57 ILE HA H 57 4.149 4.074 0.075 1
1 718 . 5 1 1 A 57 57 ILE C C 57 177.200 177.059 0.141 1
1 719 . 5 1 1 A 57 57 ILE CA C 57 62.915 62.084 0.831 1
1 720 . 5 1 1 A 57 57 ILE CB C 57 36.286 37.929 -1.643 1
1 724 . 5 1 1 A 57 57 ILE N N 57 124.413 127.525 -3.112 1
1 725 . 5 1 1 A 58 58 VAL H H 58 8.931 8.591 0.340 1
1 726 . 5 1 1 A 58 58 VAL HA H 58 4.652 4.315 0.337 1
1 734 . 5 1 1 A 58 58 VAL C C 58 175.500 176.138 -0.638 1
1 735 . 5 1 1 A 58 58 VAL CA C 58 62.104 62.585 -0.481 1
1 736 . 5 1 1 A 58 58 VAL CB C 58 34.118 32.878 1.240 1
1 739 . 5 1 1 A 58 58 VAL N N 58 122.666 120.914 1.752 1
1 740 . 5 1 1 A 59 59 ARG H H 59 7.628 7.620 0.008 1
1 741 . 5 1 1 A 59 59 ARG HA H 59 4.667 4.670 -0.003 1
1 748 . 5 1 1 A 59 59 ARG C C 59 175.000 173.866 1.134 1
1 749 . 5 1 1 A 59 59 ARG CA C 59 55.579 54.726 0.853 1
1 750 . 5 1 1 A 59 59 ARG CB C 59 34.890 32.873 2.017 1
1 753 . 5 1 1 A 59 59 ARG N N 59 117.696 118.547 -0.851 1
1 754 . 5 1 1 A 60 60 VAL H H 60 8.647 8.426 0.221 1
1 755 . 5 1 1 A 60 60 VAL HA H 60 4.405 4.265 0.140 1
1 763 . 5 1 1 A 60 60 VAL C C 60 173.700 175.017 -1.317 1
1 764 . 5 1 1 A 60 60 VAL CA C 60 63.124 62.293 0.831 1
1 765 . 5 1 1 A 60 60 VAL CB C 60 32.087 32.907 -0.820 1
1 768 . 5 1 1 A 60 60 VAL N N 60 117.604 122.701 -5.097 1
1 769 . 5 1 1 A 61 61 HIS H H 61 8.397 8.956 -0.559 1
1 770 . 5 1 1 A 61 61 HIS HA H 61 4.796 4.992 -0.196 1
1 773 . 5 1 1 A 61 61 HIS C C 61 174.200 174.959 -0.759 1
1 774 . 5 1 1 A 61 61 HIS CA C 61 55.883 55.154 0.729 1
1 775 . 5 1 1 A 61 61 HIS CB C 61 33.995 33.248 0.747 1
1 776 . 5 1 1 A 61 61 HIS N N 61 124.046 126.949 -2.903 1
1 777 . 5 1 1 A 62 62 GLY H H 62 8.619 9.109 -0.490 1
1 778 . 5 1 1 A 62 62 GLY HA2 H 62 4.014 3.705 0.309 1
1 779 . 5 1 1 A 62 62 GLY HA3 H 62 3.771 3.804 -0.033 1
1 780 . 5 1 1 A 62 62 GLY C C 62 176.300 174.475 1.825 1
1 781 . 5 1 1 A 62 62 GLY CA C 62 45.006 45.164 -0.158 1
1 782 . 5 1 1 A 62 62 GLY N N 62 114.965 114.998 -0.033 1
1 783 . 5 1 1 A 63 63 THR H H 63 8.945 8.620 0.325 1
1 784 . 5 1 1 A 63 63 THR HA H 63 4.533 4.470 0.063 1
1 789 . 5 1 1 A 63 63 THR C C 63 175.200 174.436 0.764 1
1 790 . 5 1 1 A 63 63 THR CA C 63 61.793 61.949 -0.156 1
1 791 . 5 1 1 A 63 63 THR CB C 63 69.548 66.982 2.566 1
1 793 . 5 1 1 A 63 63 THR N N 63 111.112 114.286 -3.174 1
1 794 . 5 1 1 A 64 64 LYS H H 64 9.133 8.634 0.499 1
1 795 . 5 1 1 A 64 64 LYS HA H 64 4.588 4.033 0.555 1
1 802 . 5 1 1 A 64 64 LYS C C 64 175.500 175.701 -0.201 1
1 803 . 5 1 1 A 64 64 LYS CA C 64 55.231 57.173 -1.942 1
1 804 . 5 1 1 A 64 64 LYS CB C 64 32.452 30.238 2.214 1
1 807 . 5 1 1 A 64 64 LYS N N 64 122.500 124.730 -2.230 1
1 808 . 5 1 1 A 65 65 GLY H H 65 7.987 7.926 0.061 1
1 809 . 5 1 1 A 65 65 GLY HA2 H 65 4.500 4.075 0.425 1
1 810 . 5 1 1 A 65 65 GLY HA3 H 65 3.135 4.087 -0.952 1
1 811 . 5 1 1 A 65 65 GLY C C 65 171.300 173.028 -1.728 1
1 812 . 5 1 1 A 65 65 GLY CA C 65 44.920 45.768 -0.848 1
1 813 . 5 1 1 A 65 65 GLY N N 65 106.884 108.048 -1.164 1
1 814 . 5 1 1 A 66 66 ALA H H 66 7.671 8.316 -0.645 1
1 815 . 5 1 1 A 66 66 ALA HA H 66 4.911 4.515 0.396 1
1 819 . 5 1 1 A 66 66 ALA C C 66 177.400 176.780 0.620 1
1 820 . 5 1 1 A 66 66 ALA CA C 66 52.232 51.823 0.409 1
1 821 . 5 1 1 A 66 66 ALA CB C 66 18.719 19.857 -1.138 1
1 822 . 5 1 1 A 66 66 ALA N N 66 115.951 125.597 -9.646 1
1 823 . 5 1 1 A 67 67 VAL H H 67 8.951 8.657 0.294 1
1 824 . 5 1 1 A 67 67 VAL HA H 67 4.875 4.780 0.095 1
1 832 . 5 1 1 A 67 67 VAL C C 67 173.400 173.843 -0.443 1
1 833 . 5 1 1 A 67 67 VAL CA C 67 59.368 59.346 0.022 1
1 834 . 5 1 1 A 67 67 VAL CB C 67 36.262 36.079 0.183 1
1 837 . 5 1 1 A 67 67 VAL N N 67 108.601 111.850 -3.249 1
1 838 . 5 1 1 A 68 68 ARG H H 68 9.043 8.818 0.225 1
1 839 . 5 1 1 A 68 68 ARG HA H 68 5.179 4.784 0.395 1
1 846 . 5 1 1 A 68 68 ARG C C 68 175.000 175.294 -0.294 1
1 847 . 5 1 1 A 68 68 ARG CA C 68 54.632 55.540 -0.908 1
1 848 . 5 1 1 A 68 68 ARG CB C 68 32.597 31.388 1.209 1
1 851 . 5 1 1 A 68 68 ARG N N 68 118.441 124.419 -5.978 1
1 852 . 5 1 1 A 69 69 ALA H H 69 9.561 8.418 1.143 1
1 853 . 5 1 1 A 69 69 ALA HA H 69 5.409 4.988 0.421 1
1 857 . 5 1 1 A 69 69 ALA C C 69 174.400 175.312 -0.912 1
1 858 . 5 1 1 A 69 69 ALA CA C 69 49.830 50.821 -0.991 1
1 859 . 5 1 1 A 69 69 ALA CB C 69 23.932 24.322 -0.390 1
1 860 . 5 1 1 A 69 69 ALA N N 69 126.495 126.774 -0.279 1
1 861 . 5 1 1 A 70 70 ARG H H 70 8.692 8.518 0.174 1
1 862 . 5 1 1 A 70 70 ARG HA H 70 5.169 5.365 -0.196 1
1 869 . 5 1 1 A 70 70 ARG C C 70 175.700 174.943 0.757 1
1 870 . 5 1 1 A 70 70 ARG CA C 70 55.090 54.280 0.810 1
1 871 . 5 1 1 A 70 70 ARG CB C 70 33.544 33.708 -0.164 1
1 874 . 5 1 1 A 70 70 ARG N N 70 122.321 118.598 3.723 1
1 875 . 5 1 1 A 71 71 PHE H H 71 9.442 8.825 0.617 1
1 876 . 5 1 1 A 71 71 PHE HA H 71 4.859 4.912 -0.053 1
1 879 . 5 1 1 A 71 71 PHE C C 71 175.700 176.363 -0.663 1
1 880 . 5 1 1 A 71 71 PHE CA C 71 57.465 57.140 0.325 1
1 881 . 5 1 1 A 71 71 PHE CB C 71 41.819 39.629 2.190 1
1 882 . 5 1 1 A 71 71 PHE N N 71 128.794 123.909 4.885 1
1 883 . 5 1 1 A 72 72 GLU H H 72 8.968 8.833 0.135 1
1 884 . 5 1 1 A 72 72 GLU HA H 72 4.242 4.143 0.099 1
1 889 . 5 1 1 A 72 72 GLU C C 72 176.500 178.474 -1.974 1
1 890 . 5 1 1 A 72 72 GLU CA C 72 58.604 58.968 -0.364 1
1 891 . 5 1 1 A 72 72 GLU CB C 72 30.263 28.986 1.277 1
1 893 . 5 1 1 A 72 72 GLU N N 72 121.197 124.564 -3.367 1
1 894 . 5 1 1 A 73 73 LYS H H 73 8.123 7.944 0.179 1
1 895 . 5 1 1 A 73 73 LYS HA H 73 4.514 4.213 0.301 1
1 904 . 5 1 1 A 73 73 LYS C C 73 175.300 177.129 -1.829 1
1 905 . 5 1 1 A 73 73 LYS CA C 73 54.839 58.152 -3.313 1
1 906 . 5 1 1 A 73 73 LYS CB C 73 34.555 32.981 1.574 1
1 910 . 5 1 1 A 73 73 LYS N N 73 117.266 117.012 0.254 1
1 911 . 5 1 1 A 74 74 GLY H H 74 8.138 7.694 0.444 1
1 912 . 5 1 1 A 74 74 GLY HA2 H 74 3.733 4.097 -0.364 1
1 913 . 5 1 1 A 74 74 GLY HA3 H 74 3.734 4.098 -0.364 1
1 914 . 5 1 1 A 74 74 GLY C C 74 173.300 172.778 0.522 1
1 915 . 5 1 1 A 74 74 GLY CA C 74 45.289 44.325 0.964 1
1 916 . 5 1 1 A 74 74 GLY N N 74 105.973 104.149 1.824 1
1 917 . 5 1 1 A 75 75 LEU H H 75 7.924 8.360 -0.436 1
1 918 . 5 1 1 A 75 75 LEU HA H 75 4.337 4.646 -0.309 1
1 928 . 5 1 1 A 75 75 LEU CA C 75 52.387 52.485 -0.098 1
1 929 . 5 1 1 A 75 75 LEU CB C 75 41.391 41.065 0.326 1
1 933 . 5 1 1 A 75 75 LEU N N 75 122.540 122.366 0.174 1
1 934 . 5 1 1 A 76 76 PRO HA H 76 4.527 4.335 0.192 1
1 941 . 5 1 1 A 76 76 PRO C C 76 176.700 177.266 -0.566 1
1 942 . 5 1 1 A 76 76 PRO CA C 76 62.467 63.635 -1.168 1
1 943 . 5 1 1 A 76 76 PRO CB C 76 32.055 32.197 -0.142 1
1 946 . 5 1 1 A 77 77 GLY H H 77 8.346 8.954 -0.608 1
1 947 . 5 1 1 A 77 77 GLY HA2 H 77 3.912 3.812 0.100 1
1 948 . 5 1 1 A 77 77 GLY HA3 H 77 3.836 3.820 0.016 1
1 949 . 5 1 1 A 77 77 GLY C C 77 174.900 173.814 1.086 1
1 950 . 5 1 1 A 77 77 GLY CA C 77 46.447 47.300 -0.853 1
1 951 . 5 1 1 A 77 77 GLY N N 77 107.966 110.969 -3.003 1
1 952 . 5 1 1 A 78 78 GLN H H 78 8.226 8.289 -0.063 1
1 953 . 5 1 1 A 78 78 GLN HA H 78 4.244 4.452 -0.208 1
1 960 . 5 1 1 A 78 78 GLN C C 78 175.500 174.805 0.695 1
1 961 . 5 1 1 A 78 78 GLN CA C 78 57.091 55.660 1.431 1
1 962 . 5 1 1 A 78 78 GLN CB C 78 28.933 30.569 -1.636 1
1 964 . 5 1 1 A 78 78 GLN N N 78 118.286 123.776 -5.490 1
1 966 . 5 1 1 A 79 79 ALA H H 79 7.890 8.603 -0.713 1
1 967 . 5 1 1 A 79 79 ALA HA H 79 4.211 4.673 -0.462 1
1 971 . 5 1 1 A 79 79 ALA C C 79 177.100 176.765 0.335 1
1 972 . 5 1 1 A 79 79 ALA CA C 79 52.573 51.058 1.515 1
1 973 . 5 1 1 A 79 79 ALA CB C 79 19.067 19.216 -0.149 1
1 974 . 5 1 1 A 79 79 ALA N N 79 122.012 129.111 -7.099 1
1 975 . 5 1 1 A 80 80 LEU H H 80 7.340 7.620 -0.280 1
1 976 . 5 1 1 A 80 80 LEU HA H 80 3.548 3.924 -0.376 1
1 986 . 5 1 1 A 80 80 LEU C C 80 178.200 177.706 0.494 1
1 987 . 5 1 1 A 80 80 LEU CA C 80 57.059 56.565 0.494 1
1 988 . 5 1 1 A 80 80 LEU CB C 80 41.010 41.639 -0.629 1
1 992 . 5 1 1 A 80 80 LEU N N 80 117.413 121.412 -3.999 1
1 993 . 5 1 1 A 81 81 GLY H H 81 8.704 8.917 -0.213 1
1 994 . 5 1 1 A 81 81 GLY HA2 H 81 3.477 4.001 -0.524 1
1 995 . 5 1 1 A 81 81 GLY HA3 H 81 4.176 4.007 0.169 1
1 996 . 5 1 1 A 81 81 GLY C C 81 173.200 174.411 -1.211 1
1 997 . 5 1 1 A 81 81 GLY CA C 81 45.500 44.957 0.543 1
1 998 . 5 1 1 A 81 81 GLY N N 81 113.076 114.972 -1.896 1
1 999 . 5 1 1 A 82 82 ASP H H 82 8.092 7.763 0.329 1
1 1000 . 5 1 1 A 82 82 ASP HA H 82 4.711 4.859 -0.148 1
1 1003 . 5 1 1 A 82 82 ASP C C 82 175.400 176.013 -0.613 1
1 1004 . 5 1 1 A 82 82 ASP CA C 82 53.447 54.963 -1.516 1
1 1005 . 5 1 1 A 82 82 ASP CB C 82 42.306 41.842 0.464 1
1 1006 . 5 1 1 A 82 82 ASP N N 82 120.648 121.413 -0.765 1
1 1007 . 5 1 1 A 83 83 TYR H H 83 8.637 8.737 -0.100 1
1 1008 . 5 1 1 A 83 83 TYR HA H 83 5.725 4.706 1.019 1
1 1011 . 5 1 1 A 83 83 TYR C C 83 176.800 176.351 0.449 1
1 1012 . 5 1 1 A 83 83 TYR CA C 83 57.359 59.498 -2.139 1
1 1013 . 5 1 1 A 83 83 TYR CB C 83 40.594 39.268 1.326 1
1 1014 . 5 1 1 A 83 83 TYR N N 83 117.015 121.295 -4.280 1
1 1015 . 5 1 1 A 84 84 VAL H H 84 8.747 8.642 0.105 1
1 1016 . 5 1 1 A 84 84 VAL HA H 84 5.006 5.118 -0.112 1
1 1024 . 5 1 1 A 84 84 VAL C C 84 175.200 175.021 0.179 1
1 1025 . 5 1 1 A 84 84 VAL CA C 84 58.855 60.522 -1.667 1
1 1026 . 5 1 1 A 84 84 VAL CB C 84 35.371 33.368 2.003 1
1 1029 . 5 1 1 A 84 84 VAL N N 84 111.283 119.081 -7.798 1
1 1030 . 5 1 1 A 85 85 GLU H H 85 8.384 8.794 -0.410 1
1 1031 . 5 1 1 A 85 85 GLU HA H 85 5.129 5.371 -0.242 1
1 1036 . 5 1 1 A 85 85 GLU C C 85 174.900 175.363 -0.463 1
1 1037 . 5 1 1 A 85 85 GLU CA C 85 55.209 54.859 0.350 1
1 1038 . 5 1 1 A 85 85 GLU CB C 85 33.531 34.406 -0.875 1
1 1040 . 5 1 1 A 85 85 GLU N N 85 118.476 120.806 -2.330 1
1 1041 . 5 1 1 A 86 86 ILE H H 86 9.344 8.715 0.629 1
1 1042 . 5 1 1 A 86 86 ILE HA H 86 4.951 4.560 0.391 1
1 1052 . 5 1 1 A 86 86 ILE C C 86 176.000 174.908 1.092 1
1 1053 . 5 1 1 A 86 86 ILE CA C 86 60.535 60.545 -0.010 1
1 1054 . 5 1 1 A 86 86 ILE CB C 86 39.154 37.696 1.458 1
1 1058 . 5 1 1 A 86 86 ILE N N 86 124.495 123.308 1.187 1
1 1 . 6 1 1 A 2 2 ARG HA H 2 5.159 4.986 0.173 1
1 8 . 6 1 1 A 2 2 ARG C C 2 175.500 175.474 0.026 1
1 9 . 6 1 1 A 2 2 ARG CA C 2 55.183 55.027 0.156 1
1 10 . 6 1 1 A 2 2 ARG CB C 2 32.737 32.885 -0.148 1
1 13 . 6 1 1 A 3 3 ILE H H 3 8.800 8.563 0.237 1
1 14 . 6 1 1 A 3 3 ILE HA H 3 4.674 4.781 -0.107 1
1 24 . 6 1 1 A 3 3 ILE C C 3 175.000 173.607 1.393 1
1 25 . 6 1 1 A 3 3 ILE CA C 3 60.050 59.716 0.334 1
1 26 . 6 1 1 A 3 3 ILE CB C 3 41.249 42.374 -1.125 1
1 30 . 6 1 1 A 3 3 ILE N N 3 119.700 121.035 -1.335 1
1 31 . 6 1 1 A 4 4 LYS H H 4 8.864 8.902 -0.038 1
1 32 . 6 1 1 A 4 4 LYS HA H 4 5.180 5.070 0.110 1
1 41 . 6 1 1 A 4 4 LYS C C 4 176.800 175.583 1.217 1
1 42 . 6 1 1 A 4 4 LYS CA C 4 55.798 55.032 0.766 1
1 43 . 6 1 1 A 4 4 LYS CB C 4 35.471 34.653 0.818 1
1 47 . 6 1 1 A 4 4 LYS N N 4 123.785 126.469 -2.684 1
1 48 . 6 1 1 A 5 5 GLY H H 5 8.662 8.205 0.457 1
1 49 . 6 1 1 A 5 5 GLY HA2 H 5 3.122 4.279 -1.157 1
1 50 . 6 1 1 A 5 5 GLY HA3 H 5 5.139 4.303 0.836 1
1 51 . 6 1 1 A 5 5 GLY C C 5 170.800 171.609 -0.809 1
1 52 . 6 1 1 A 5 5 GLY CA C 5 44.967 45.520 -0.553 1
1 53 . 6 1 1 A 5 5 GLY N N 5 107.023 110.574 -3.551 1
1 54 . 6 1 1 A 6 6 VAL H H 6 8.168 8.345 -0.177 1
1 55 . 6 1 1 A 6 6 VAL HA H 6 4.936 4.392 0.544 1
1 63 . 6 1 1 A 6 6 VAL C C 6 175.100 174.737 0.363 1
1 64 . 6 1 1 A 6 6 VAL CA C 6 60.066 60.521 -0.455 1
1 65 . 6 1 1 A 6 6 VAL CB C 6 35.501 35.566 -0.065 1
1 68 . 6 1 1 A 6 6 VAL N N 6 118.930 119.184 -0.254 1
1 69 . 6 1 1 A 7 7 VAL H H 7 8.663 8.532 0.131 1
1 70 . 6 1 1 A 7 7 VAL HA H 7 3.771 4.037 -0.266 1
1 78 . 6 1 1 A 7 7 VAL C C 7 176.020 175.461 0.559 1
1 79 . 6 1 1 A 7 7 VAL CA C 7 63.861 63.008 0.853 1
1 80 . 6 1 1 A 7 7 VAL CB C 7 31.549 32.131 -0.582 1
1 83 . 6 1 1 A 7 7 VAL N N 7 126.733 126.379 0.354 1
1 84 . 6 1 1 A 8 8 LEU H H 8 9.077 8.509 0.568 1
1 85 . 6 1 1 A 8 8 LEU HA H 8 4.396 4.342 0.054 1
1 95 . 6 1 1 A 8 8 LEU C C 8 177.000 176.525 0.475 1
1 96 . 6 1 1 A 8 8 LEU CA C 8 55.871 55.988 -0.117 1
1 97 . 6 1 1 A 8 8 LEU CB C 8 43.337 42.856 0.481 1
1 101 . 6 1 1 A 8 8 LEU N N 8 128.947 127.614 1.333 1
1 102 . 6 1 1 A 9 9 SER H H 9 7.409 7.550 -0.141 1
1 103 . 6 1 1 A 9 9 SER HA H 9 4.347 4.664 -0.317 1
1 106 . 6 1 1 A 9 9 SER C C 9 172.900 171.744 1.156 1
1 107 . 6 1 1 A 9 9 SER CA C 9 57.866 57.560 0.306 1
1 108 . 6 1 1 A 9 9 SER CB C 9 64.173 65.326 -1.153 1
1 109 . 6 1 1 A 9 9 SER N N 9 108.469 109.517 -1.048 1
1 110 . 6 1 1 A 10 10 TYR H H 10 8.464 8.927 -0.463 1
1 111 . 6 1 1 A 10 10 TYR HA H 10 5.064 4.865 0.199 1
1 114 . 6 1 1 A 10 10 TYR C C 10 175.400 174.296 1.104 1
1 115 . 6 1 1 A 10 10 TYR CA C 10 57.258 57.125 0.133 1
1 116 . 6 1 1 A 10 10 TYR CB C 10 40.325 39.848 0.477 1
1 117 . 6 1 1 A 10 10 TYR N N 10 121.190 128.030 -6.840 1
1 118 . 6 1 1 A 11 11 ARG H H 11 8.545 8.481 0.064 1
1 119 . 6 1 1 A 11 11 ARG HA H 11 4.441 4.749 -0.308 1
1 126 . 6 1 1 A 11 11 ARG C C 11 174.800 175.323 -0.523 1
1 127 . 6 1 1 A 11 11 ARG CA C 11 55.308 55.823 -0.515 1
1 128 . 6 1 1 A 11 11 ARG CB C 11 31.551 31.561 -0.010 1
1 131 . 6 1 1 A 11 11 ARG N N 11 124.044 126.405 -2.361 1
1 132 . 6 1 1 A 12 12 ARG H H 12 8.562 8.654 -0.092 1
1 133 . 6 1 1 A 12 12 ARG HA H 12 4.577 4.772 -0.195 1
1 140 . 6 1 1 A 12 12 ARG C C 12 176.100 175.186 0.914 1
1 141 . 6 1 1 A 12 12 ARG CA C 12 55.803 54.794 1.009 1
1 142 . 6 1 1 A 12 12 ARG CB C 12 31.265 30.914 0.351 1
1 145 . 6 1 1 A 12 12 ARG N N 12 124.990 124.566 0.424 1
1 146 . 6 1 1 A 13 13 SER H H 13 8.485 8.750 -0.265 1
1 147 . 6 1 1 A 13 13 SER HA H 13 4.542 4.460 0.082 1
1 150 . 6 1 1 A 13 13 SER C C 13 175.000 173.903 1.097 1
1 151 . 6 1 1 A 13 13 SER CA C 13 57.790 58.303 -0.513 1
1 152 . 6 1 1 A 13 13 SER CB C 13 64.666 64.501 0.165 1
1 153 . 6 1 1 A 13 13 SER N N 13 118.058 119.673 -1.615 1
1 154 . 6 1 1 A 14 14 LYS H H 14 8.663 8.910 -0.247 1
1 155 . 6 1 1 A 14 14 LYS HA H 14 4.178 4.471 -0.293 1
1 164 . 6 1 1 A 14 14 LYS C C 14 177.400 177.424 -0.024 1
1 165 . 6 1 1 A 14 14 LYS CA C 14 57.997 57.011 0.986 1
1 166 . 6 1 1 A 14 14 LYS CB C 14 32.686 34.010 -1.324 1
1 170 . 6 1 1 A 14 14 LYS N N 14 123.187 120.009 3.178 1
1 171 . 6 1 1 A 15 15 GLU H H 15 8.525 8.412 0.113 1
1 172 . 6 1 1 A 15 15 GLU HA H 15 4.217 4.339 -0.122 1
1 177 . 6 1 1 A 15 15 GLU C C 15 176.300 176.373 -0.073 1
1 178 . 6 1 1 A 15 15 GLU CA C 15 57.504 57.583 -0.079 1
1 179 . 6 1 1 A 15 15 GLU CB C 15 29.654 29.566 0.088 1
1 181 . 6 1 1 A 15 15 GLU N N 15 118.364 117.125 1.239 1
1 182 . 6 1 1 A 16 16 ASN H H 16 7.985 7.896 0.089 1
1 183 . 6 1 1 A 16 16 ASN HA H 16 4.690 4.716 -0.026 1
1 188 . 6 1 1 A 16 16 ASN C C 16 175.100 174.750 0.350 1
1 189 . 6 1 1 A 16 16 ASN CA C 16 53.363 52.899 0.464 1
1 190 . 6 1 1 A 16 16 ASN CB C 16 39.022 39.469 -0.447 1
1 191 . 6 1 1 A 16 16 ASN N N 16 117.467 119.778 -2.311 1
1 193 . 6 1 1 A 17 17 GLN H H 17 8.384 8.664 -0.280 1
1 194 . 6 1 1 A 17 17 GLN HA H 17 4.256 4.339 -0.083 1
1 201 . 6 1 1 A 17 17 GLN C C 17 175.800 175.391 0.409 1
1 202 . 6 1 1 A 17 17 GLN CA C 17 56.678 55.953 0.725 1
1 203 . 6 1 1 A 17 17 GLN CB C 17 29.071 28.727 0.344 1
1 205 . 6 1 1 A 17 17 GLN N N 17 119.788 125.870 -6.082 1
1 207 . 6 1 1 A 18 18 HIS H H 18 8.209 8.672 -0.463 1
1 208 . 6 1 1 A 18 18 HIS HA H 18 4.683 4.723 -0.040 1
1 211 . 6 1 1 A 18 18 HIS C C 18 175.080 175.077 0.003 1
1 212 . 6 1 1 A 18 18 HIS CA C 18 55.839 55.680 0.159 1
1 213 . 6 1 1 A 18 18 HIS CB C 18 30.460 32.029 -1.569 1
1 214 . 6 1 1 A 18 18 HIS N N 18 117.984 126.368 -8.384 1
1 215 . 6 1 1 A 19 19 ASN H H 19 8.430 8.256 0.174 1
1 216 . 6 1 1 A 19 19 ASN HA H 19 4.813 4.770 0.043 1
1 221 . 6 1 1 A 19 19 ASN C C 19 174.300 174.284 0.016 1
1 222 . 6 1 1 A 19 19 ASN CA C 19 53.172 53.521 -0.349 1
1 223 . 6 1 1 A 19 19 ASN CB C 19 38.503 38.444 0.059 1
1 224 . 6 1 1 A 19 19 ASN N N 19 122.300 117.811 4.489 1
1 226 . 6 1 1 A 20 20 ASN H H 20 8.353 8.438 -0.085 1
1 227 . 6 1 1 A 20 20 ASN HA H 20 4.828 4.969 -0.141 1
1 232 . 6 1 1 A 20 20 ASN C C 20 174.000 175.213 -1.213 1
1 233 . 6 1 1 A 20 20 ASN CA C 20 53.292 52.850 0.442 1
1 234 . 6 1 1 A 20 20 ASN CB C 20 38.896 38.990 -0.094 1
1 235 . 6 1 1 A 20 20 ASN N N 20 117.387 118.767 -1.380 1
1 237 . 6 1 1 A 21 21 VAL H H 21 8.285 8.190 0.095 1
1 238 . 6 1 1 A 21 21 VAL HA H 21 5.090 4.846 0.244 1
1 246 . 6 1 1 A 21 21 VAL C C 21 174.900 174.284 0.616 1
1 247 . 6 1 1 A 21 21 VAL CA C 21 61.409 59.982 1.427 1
1 248 . 6 1 1 A 21 21 VAL CB C 21 33.979 35.426 -1.447 1
1 251 . 6 1 1 A 21 21 VAL N N 21 120.718 121.094 -0.376 1
1 252 . 6 1 1 A 22 22 MET H H 22 9.083 8.452 0.631 1
1 253 . 6 1 1 A 22 22 MET HA H 22 5.073 4.539 0.534 1
1 258 . 6 1 1 A 22 22 MET C C 22 174.600 174.134 0.466 1
1 259 . 6 1 1 A 22 22 MET CA C 22 53.096 54.364 -1.268 1
1 260 . 6 1 1 A 22 22 MET CB C 22 36.612 35.818 0.794 1
1 262 . 6 1 1 A 22 22 MET N N 22 123.693 122.452 1.241 1
1 263 . 6 1 1 A 23 23 ILE H H 23 8.761 8.568 0.193 1
1 264 . 6 1 1 A 23 23 ILE HA H 23 4.738 4.788 -0.050 1
1 274 . 6 1 1 A 23 23 ILE C C 23 175.500 174.908 0.592 1
1 275 . 6 1 1 A 23 23 ILE CA C 23 59.230 60.416 -1.186 1
1 276 . 6 1 1 A 23 23 ILE CB C 23 36.022 39.194 -3.172 1
1 280 . 6 1 1 A 23 23 ILE N N 23 123.898 126.003 -2.105 1
1 281 . 6 1 1 A 24 24 ILE H H 24 9.048 8.401 0.647 1
1 282 . 6 1 1 A 24 24 ILE HA H 24 4.881 4.835 0.046 1
1 292 . 6 1 1 A 24 24 ILE C C 24 174.200 175.096 -0.896 1
1 293 . 6 1 1 A 24 24 ILE CA C 24 58.256 59.444 -1.188 1
1 294 . 6 1 1 A 24 24 ILE CB C 24 42.799 42.467 0.332 1
1 298 . 6 1 1 A 24 24 ILE N N 24 126.877 127.074 -0.197 1
1 299 . 6 1 1 A 25 25 LYS H H 25 9.205 8.515 0.690 1
1 300 . 6 1 1 A 25 25 LYS HA H 25 5.109 4.899 0.210 1
1 305 . 6 1 1 A 25 25 LYS CA C 25 50.908 52.920 -2.012 1
1 306 . 6 1 1 A 25 25 LYS CB C 25 34.893 34.838 0.055 1
1 307 . 6 1 1 A 25 25 LYS N N 25 127.192 125.972 1.220 1
1 308 . 6 1 1 A 26 26 PRO HA H 26 4.823 4.528 0.295 1
1 315 . 6 1 1 A 26 26 PRO C C 26 177.300 177.293 0.007 1
1 316 . 6 1 1 A 26 26 PRO CA C 26 61.185 62.393 -1.208 1
1 317 . 6 1 1 A 26 26 PRO CB C 26 30.625 29.428 1.197 1
1 320 . 6 1 1 A 27 27 LEU H H 27 8.861 8.870 -0.009 1
1 321 . 6 1 1 A 27 27 LEU HA H 27 4.101 4.137 -0.036 1
1 331 . 6 1 1 A 27 27 LEU C C 27 177.800 176.435 1.365 1
1 332 . 6 1 1 A 27 27 LEU CA C 27 57.590 57.500 0.090 1
1 333 . 6 1 1 A 27 27 LEU CB C 27 40.721 41.759 -1.038 1
1 337 . 6 1 1 A 27 27 LEU N N 27 127.814 123.858 3.956 1
1 338 . 6 1 1 A 28 28 ASP H H 28 8.818 8.241 0.577 1
1 339 . 6 1 1 A 28 28 ASP HA H 28 4.477 4.798 -0.321 1
1 342 . 6 1 1 A 28 28 ASP C C 28 174.500 176.753 -2.253 1
1 343 . 6 1 1 A 28 28 ASP CA C 28 55.417 55.030 0.387 1
1 344 . 6 1 1 A 28 28 ASP CB C 28 40.527 41.552 -1.025 1
1 345 . 6 1 1 A 28 28 ASP N N 28 114.920 116.452 -1.532 1
1 346 . 6 1 1 A 29 29 VAL H H 29 7.004 7.927 -0.923 1
1 347 . 6 1 1 A 29 29 VAL HA H 29 4.164 3.693 0.471 1
1 355 . 6 1 1 A 29 29 VAL C C 29 175.600 175.980 -0.380 1
1 356 . 6 1 1 A 29 29 VAL CA C 29 62.553 63.005 -0.452 1
1 357 . 6 1 1 A 29 29 VAL CB C 29 32.711 29.772 2.939 1
1 360 . 6 1 1 A 29 29 VAL N N 29 119.689 116.262 3.427 1
1 361 . 6 1 1 A 30 30 ASN H H 30 8.802 8.433 0.369 1
1 362 . 6 1 1 A 30 30 ASN HA H 30 5.409 5.079 0.330 1
1 367 . 6 1 1 A 30 30 ASN C C 30 173.400 174.312 -0.912 1
1 368 . 6 1 1 A 30 30 ASN CA C 30 53.262 52.991 0.271 1
1 369 . 6 1 1 A 30 30 ASN CB C 30 41.186 38.017 3.169 1
1 370 . 6 1 1 A 30 30 ASN N N 30 122.479 118.424 4.055 1
1 372 . 6 1 1 A 31 31 SER H H 31 7.329 7.620 -0.291 1
1 373 . 6 1 1 A 31 31 SER HA H 31 4.878 4.747 0.131 1
1 376 . 6 1 1 A 31 31 SER C C 31 173.700 174.290 -0.590 1
1 377 . 6 1 1 A 31 31 SER CA C 31 56.428 57.085 -0.657 1
1 378 . 6 1 1 A 31 31 SER CB C 31 67.086 65.413 1.673 1
1 379 . 6 1 1 A 31 31 SER N N 31 109.583 113.034 -3.451 1
1 380 . 6 1 1 A 32 32 ARG H H 32 8.688 8.798 -0.110 1
1 381 . 6 1 1 A 32 32 ARG HA H 32 4.229 4.003 0.226 1
1 388 . 6 1 1 A 32 32 ARG C C 32 178.300 177.316 0.984 1
1 389 . 6 1 1 A 32 32 ARG CA C 32 58.914 59.468 -0.554 1
1 390 . 6 1 1 A 32 32 ARG CB C 32 30.785 29.929 0.856 1
1 393 . 6 1 1 A 32 32 ARG N N 32 123.538 127.115 -3.577 1
1 394 . 6 1 1 A 33 33 GLU H H 33 9.157 7.936 1.221 1
1 395 . 6 1 1 A 33 33 GLU HA H 33 4.012 4.059 -0.047 1
1 400 . 6 1 1 A 33 33 GLU C C 33 179.900 178.474 1.426 1
1 401 . 6 1 1 A 33 33 GLU CA C 33 60.615 59.383 1.232 1
1 402 . 6 1 1 A 33 33 GLU CB C 33 28.895 29.237 -0.342 1
1 404 . 6 1 1 A 33 33 GLU N N 33 120.517 119.180 1.337 1
1 405 . 6 1 1 A 34 34 GLU H H 34 7.623 7.885 -0.262 1
1 406 . 6 1 1 A 34 34 GLU HA H 34 4.096 4.092 0.004 1
1 411 . 6 1 1 A 34 34 GLU C C 34 179.100 178.396 0.704 1
1 412 . 6 1 1 A 34 34 GLU CA C 34 58.647 58.949 -0.302 1
1 413 . 6 1 1 A 34 34 GLU CB C 34 30.874 29.705 1.169 1
1 415 . 6 1 1 A 34 34 GLU N N 34 118.275 119.718 -1.443 1
1 416 . 6 1 1 A 35 35 ALA H H 35 8.131 8.873 -0.742 1
1 417 . 6 1 1 A 35 35 ALA HA H 35 3.828 4.072 -0.244 1
1 421 . 6 1 1 A 35 35 ALA C C 35 179.800 179.487 0.313 1
1 422 . 6 1 1 A 35 35 ALA CA C 35 55.337 55.292 0.045 1
1 423 . 6 1 1 A 35 35 ALA CB C 35 18.361 18.599 -0.238 1
1 424 . 6 1 1 A 35 35 ALA N N 35 123.551 122.441 1.110 1
1 425 . 6 1 1 A 36 36 SER H H 36 8.279 8.587 -0.308 1
1 426 . 6 1 1 A 36 36 SER HA H 36 3.875 4.147 -0.272 1
1 429 . 6 1 1 A 36 36 SER C C 36 176.100 176.592 -0.492 1
1 430 . 6 1 1 A 36 36 SER CA C 36 61.573 60.959 0.614 1
1 431 . 6 1 1 A 36 36 SER CB C 36 63.126 63.004 0.122 1
1 432 . 6 1 1 A 36 36 SER N N 36 112.905 112.878 0.027 1
1 433 . 6 1 1 A 37 37 LYS H H 37 7.120 7.736 -0.616 1
1 434 . 6 1 1 A 37 37 LYS HA H 37 4.203 4.044 0.159 1
1 443 . 6 1 1 A 37 37 LYS C C 37 177.100 179.416 -2.316 1
1 444 . 6 1 1 A 37 37 LYS CA C 37 57.553 59.626 -2.073 1
1 445 . 6 1 1 A 37 37 LYS CB C 37 32.178 32.134 0.044 1
1 449 . 6 1 1 A 37 37 LYS N N 37 119.081 120.824 -1.743 1
1 450 . 6 1 1 A 38 38 LEU H H 38 7.877 7.785 0.092 1
1 451 . 6 1 1 A 38 38 LEU HA H 38 4.138 4.214 -0.076 1
1 461 . 6 1 1 A 38 38 LEU C C 38 176.400 178.484 -2.084 1
1 462 . 6 1 1 A 38 38 LEU CA C 38 54.225 56.033 -1.808 1
1 463 . 6 1 1 A 38 38 LEU CB C 38 42.192 41.098 1.094 1
1 467 . 6 1 1 A 38 38 LEU N N 38 115.729 117.585 -1.856 1
1 468 . 6 1 1 A 39 39 ILE H H 39 6.958 7.280 -0.322 1
1 469 . 6 1 1 A 39 39 ILE HA H 39 3.252 3.991 -0.739 1
1 479 . 6 1 1 A 39 39 ILE C C 39 177.100 177.328 -0.228 1
1 480 . 6 1 1 A 39 39 ILE CA C 39 63.952 64.221 -0.269 1
1 481 . 6 1 1 A 39 39 ILE CB C 39 36.338 37.846 -1.508 1
1 485 . 6 1 1 A 39 39 ILE N N 39 118.446 120.677 -2.231 1
1 486 . 6 1 1 A 40 40 GLY H H 40 8.877 7.823 1.054 1
1 487 . 6 1 1 A 40 40 GLY HA2 H 40 4.518 3.983 0.535 1
1 488 . 6 1 1 A 40 40 GLY HA3 H 40 3.611 3.987 -0.376 1
1 489 . 6 1 1 A 40 40 GLY C C 40 174.600 174.125 0.475 1
1 490 . 6 1 1 A 40 40 GLY CA C 40 44.763 45.152 -0.389 1
1 491 . 6 1 1 A 40 40 GLY N N 40 115.966 108.915 7.051 1
1 492 . 6 1 1 A 41 41 ARG H H 41 7.939 8.460 -0.521 1
1 493 . 6 1 1 A 41 41 ARG HA H 41 4.481 4.346 0.135 1
1 500 . 6 1 1 A 41 41 ARG C C 41 175.000 174.951 0.049 1
1 501 . 6 1 1 A 41 41 ARG CA C 41 56.298 56.047 0.251 1
1 502 . 6 1 1 A 41 41 ARG CB C 41 30.619 31.389 -0.770 1
1 505 . 6 1 1 A 41 41 ARG N N 41 118.629 120.467 -1.838 1
1 506 . 6 1 1 A 42 42 LEU H H 42 8.400 8.576 -0.176 1
1 507 . 6 1 1 A 42 42 LEU HA H 42 4.773 4.842 -0.069 1
1 517 . 6 1 1 A 42 42 LEU C C 42 175.200 175.713 -0.513 1
1 518 . 6 1 1 A 42 42 LEU CA C 42 54.561 53.647 0.914 1
1 519 . 6 1 1 A 42 42 LEU CB C 42 44.111 44.623 -0.512 1
1 523 . 6 1 1 A 42 42 LEU N N 42 121.347 123.833 -2.486 1
1 524 . 6 1 1 A 43 43 VAL H H 43 8.189 8.774 -0.585 1
1 525 . 6 1 1 A 43 43 VAL HA H 43 5.045 4.846 0.199 1
1 533 . 6 1 1 A 43 43 VAL C C 43 173.800 174.842 -1.042 1
1 534 . 6 1 1 A 43 43 VAL CA C 43 59.401 61.223 -1.822 1
1 535 . 6 1 1 A 43 43 VAL CB C 43 34.438 33.625 0.813 1
1 538 . 6 1 1 A 43 43 VAL N N 43 120.875 122.160 -1.285 1
1 539 . 6 1 1 A 44 44 LEU H H 44 9.320 8.841 0.479 1
1 540 . 6 1 1 A 44 44 LEU HA H 44 5.371 5.185 0.186 1
1 550 . 6 1 1 A 44 44 LEU C C 44 176.600 174.777 1.823 1
1 551 . 6 1 1 A 44 44 LEU CA C 44 53.600 53.549 0.051 1
1 552 . 6 1 1 A 44 44 LEU CB C 44 44.381 44.251 0.130 1
1 556 . 6 1 1 A 44 44 LEU N N 44 124.820 127.943 -3.123 1
1 557 . 6 1 1 A 45 45 TRP H H 45 9.251 8.969 0.282 1
1 558 . 6 1 1 A 45 45 TRP HA H 45 5.023 5.273 -0.250 1
1 561 . 6 1 1 A 45 45 TRP C C 45 173.100 175.953 -2.853 1
1 562 . 6 1 1 A 45 45 TRP CA C 45 57.182 55.964 1.218 1
1 563 . 6 1 1 A 45 45 TRP CB C 45 31.353 32.311 -0.958 1
1 564 . 6 1 1 A 45 45 TRP N N 45 125.368 129.951 -4.583 1
1 565 . 6 1 1 A 46 46 LYS H H 46 8.064 8.389 -0.325 1
1 566 . 6 1 1 A 46 46 LYS HA H 46 4.314 4.367 -0.053 1
1 575 . 6 1 1 A 46 46 LYS C C 46 173.800 175.219 -1.419 1
1 576 . 6 1 1 A 46 46 LYS CA C 46 55.132 55.688 -0.556 1
1 577 . 6 1 1 A 46 46 LYS CB C 46 32.714 33.940 -1.226 1
1 580 . 6 1 1 A 46 46 LYS N N 46 129.540 126.253 3.287 1
1 581 . 6 1 1 A 47 47 SER H H 47 8.208 8.253 -0.045 1
1 582 . 6 1 1 A 47 47 SER HA H 47 3.245 4.502 -1.257 1
1 585 . 6 1 1 A 47 47 SER CA C 47 56.564 55.961 0.603 1
1 586 . 6 1 1 A 47 47 SER CB C 47 63.584 63.139 0.445 1
1 587 . 6 1 1 A 47 47 SER N N 47 124.549 114.908 9.641 1
1 588 . 6 1 1 A 48 48 PRO HA H 48 4.286 4.412 -0.126 1
1 595 . 6 1 1 A 48 48 PRO C C 48 177.500 177.210 0.290 1
1 596 . 6 1 1 A 48 48 PRO CA C 48 65.461 63.379 2.082 1
1 597 . 6 1 1 A 48 48 PRO CB C 48 31.723 32.170 -0.447 1
1 600 . 6 1 1 A 49 49 SER H H 49 7.754 8.882 -1.128 1
1 601 . 6 1 1 A 49 49 SER HA H 49 4.414 4.239 0.175 1
1 604 . 6 1 1 A 49 49 SER C C 49 175.200 174.071 1.129 1
1 605 . 6 1 1 A 49 49 SER CA C 49 58.552 59.927 -1.375 1
1 606 . 6 1 1 A 49 49 SER CB C 49 63.820 62.831 0.989 1
1 607 . 6 1 1 A 49 49 SER N N 49 109.700 117.623 -7.923 1
1 608 . 6 1 1 A 50 50 GLY H H 50 8.194 8.077 0.117 1
1 609 . 6 1 1 A 50 50 GLY HA2 H 50 3.314 4.129 -0.815 1
1 610 . 6 1 1 A 50 50 GLY HA3 H 50 4.354 4.131 0.223 1
1 611 . 6 1 1 A 50 50 GLY C C 50 173.700 173.256 0.444 1
1 612 . 6 1 1 A 50 50 GLY CA C 50 45.031 45.705 -0.674 1
1 613 . 6 1 1 A 50 50 GLY N N 50 111.568 108.550 3.018 1
1 614 . 6 1 1 A 51 51 LYS H H 51 7.246 8.202 -0.956 1
1 615 . 6 1 1 A 51 51 LYS HA H 51 4.246 4.656 -0.410 1
1 624 . 6 1 1 A 51 51 LYS C C 51 175.900 174.567 1.333 1
1 625 . 6 1 1 A 51 51 LYS CA C 51 55.948 55.692 0.256 1
1 626 . 6 1 1 A 51 51 LYS CB C 51 32.893 36.525 -3.632 1
1 630 . 6 1 1 A 51 51 LYS N N 51 120.424 119.089 1.335 1
1 631 . 6 1 1 A 52 52 ILE H H 52 8.718 8.560 0.158 1
1 632 . 6 1 1 A 52 52 ILE HA H 52 4.670 4.313 0.357 1
1 642 . 6 1 1 A 52 52 ILE C C 52 176.100 175.455 0.645 1
1 643 . 6 1 1 A 52 52 ILE CA C 52 60.261 61.654 -1.393 1
1 644 . 6 1 1 A 52 52 ILE CB C 52 38.268 38.089 0.179 1
1 648 . 6 1 1 A 52 52 ILE N N 52 125.588 126.672 -1.084 1
1 649 . 6 1 1 A 53 53 LEU H H 53 9.558 8.426 1.132 1
1 650 . 6 1 1 A 53 53 LEU HA H 53 4.930 5.186 -0.256 1
1 660 . 6 1 1 A 53 53 LEU C C 53 175.800 176.033 -0.233 1
1 661 . 6 1 1 A 53 53 LEU CA C 53 54.305 54.265 0.040 1
1 662 . 6 1 1 A 53 53 LEU CB C 53 44.080 45.147 -1.067 1
1 666 . 6 1 1 A 53 53 LEU N N 53 131.583 125.563 6.020 1
1 667 . 6 1 1 A 54 54 LYS H H 54 8.746 8.810 -0.064 1
1 668 . 6 1 1 A 54 54 LYS HA H 54 5.463 5.083 0.380 1
1 677 . 6 1 1 A 54 54 LYS C C 54 176.200 176.033 0.167 1
1 678 . 6 1 1 A 54 54 LYS CA C 54 55.474 55.190 0.284 1
1 679 . 6 1 1 A 54 54 LYS CB C 54 35.349 34.596 0.753 1
1 683 . 6 1 1 A 54 54 LYS N N 54 120.463 124.675 -4.212 1
1 684 . 6 1 1 A 55 55 GLY H H 55 9.217 8.150 1.067 1
1 685 . 6 1 1 A 55 55 GLY HA2 H 55 4.347 3.724 0.623 1
1 686 . 6 1 1 A 55 55 GLY HA3 H 55 1.960 3.964 -2.004 1
1 687 . 6 1 1 A 55 55 GLY C C 55 172.400 171.896 0.504 1
1 688 . 6 1 1 A 55 55 GLY CA C 55 43.890 45.299 -1.409 1
1 689 . 6 1 1 A 55 55 GLY N N 55 114.284 108.078 6.206 1
1 690 . 6 1 1 A 56 56 LYS H H 56 8.015 8.343 -0.328 1
1 691 . 6 1 1 A 56 56 LYS HA H 56 5.145 4.885 0.260 1
1 700 . 6 1 1 A 56 56 LYS C C 56 176.000 174.622 1.378 1
1 701 . 6 1 1 A 56 56 LYS CA C 56 54.614 55.344 -0.730 1
1 702 . 6 1 1 A 56 56 LYS CB C 56 36.639 36.368 0.271 1
1 706 . 6 1 1 A 56 56 LYS N N 56 118.868 119.630 -0.762 1
1 707 . 6 1 1 A 57 57 ILE H H 57 8.693 8.385 0.308 1
1 708 . 6 1 1 A 57 57 ILE HA H 57 4.149 4.065 0.084 1
1 718 . 6 1 1 A 57 57 ILE C C 57 177.200 177.209 -0.009 1
1 719 . 6 1 1 A 57 57 ILE CA C 57 62.915 62.009 0.906 1
1 720 . 6 1 1 A 57 57 ILE CB C 57 36.286 37.721 -1.435 1
1 724 . 6 1 1 A 57 57 ILE N N 57 124.413 127.629 -3.216 1
1 725 . 6 1 1 A 58 58 VAL H H 58 8.931 8.948 -0.017 1
1 726 . 6 1 1 A 58 58 VAL HA H 58 4.652 4.335 0.317 1
1 734 . 6 1 1 A 58 58 VAL C C 58 175.500 176.230 -0.730 1
1 735 . 6 1 1 A 58 58 VAL CA C 58 62.104 62.596 -0.492 1
1 736 . 6 1 1 A 58 58 VAL CB C 58 34.118 32.934 1.184 1
1 739 . 6 1 1 A 58 58 VAL N N 58 122.666 121.183 1.483 1
1 740 . 6 1 1 A 59 59 ARG H H 59 7.628 7.615 0.013 1
1 741 . 6 1 1 A 59 59 ARG HA H 59 4.667 4.789 -0.122 1
1 748 . 6 1 1 A 59 59 ARG C C 59 175.000 174.099 0.901 1
1 749 . 6 1 1 A 59 59 ARG CA C 59 55.579 54.295 1.284 1
1 750 . 6 1 1 A 59 59 ARG CB C 59 34.890 35.200 -0.310 1
1 753 . 6 1 1 A 59 59 ARG N N 59 117.696 120.392 -2.696 1
1 754 . 6 1 1 A 60 60 VAL H H 60 8.647 8.523 0.124 1
1 755 . 6 1 1 A 60 60 VAL HA H 60 4.405 4.523 -0.118 1
1 763 . 6 1 1 A 60 60 VAL C C 60 173.700 174.566 -0.866 1
1 764 . 6 1 1 A 60 60 VAL CA C 60 63.124 61.676 1.448 1
1 765 . 6 1 1 A 60 60 VAL CB C 60 32.087 33.014 -0.927 1
1 768 . 6 1 1 A 60 60 VAL N N 60 117.604 122.152 -4.548 1
1 769 . 6 1 1 A 61 61 HIS H H 61 8.397 8.674 -0.277 1
1 770 . 6 1 1 A 61 61 HIS HA H 61 4.796 4.978 -0.182 1
1 773 . 6 1 1 A 61 61 HIS C C 61 174.200 174.961 -0.761 1
1 774 . 6 1 1 A 61 61 HIS CA C 61 55.883 55.358 0.525 1
1 775 . 6 1 1 A 61 61 HIS CB C 61 33.995 32.991 1.004 1
1 776 . 6 1 1 A 61 61 HIS N N 61 124.046 127.179 -3.133 1
1 777 . 6 1 1 A 62 62 GLY H H 62 8.619 8.459 0.160 1
1 778 . 6 1 1 A 62 62 GLY HA2 H 62 4.014 3.670 0.344 1
1 779 . 6 1 1 A 62 62 GLY HA3 H 62 3.771 3.750 0.021 1
1 780 . 6 1 1 A 62 62 GLY C C 62 176.300 174.654 1.646 1
1 781 . 6 1 1 A 62 62 GLY CA C 62 45.006 45.164 -0.158 1
1 782 . 6 1 1 A 62 62 GLY N N 62 114.965 114.742 0.223 1
1 783 . 6 1 1 A 63 63 THR H H 63 8.945 8.491 0.454 1
1 784 . 6 1 1 A 63 63 THR HA H 63 4.533 4.186 0.347 1
1 789 . 6 1 1 A 63 63 THR C C 63 175.200 174.438 0.762 1
1 790 . 6 1 1 A 63 63 THR CA C 63 61.793 64.354 -2.561 1
1 791 . 6 1 1 A 63 63 THR CB C 63 69.548 68.251 1.297 1
1 793 . 6 1 1 A 63 63 THR N N 63 111.112 114.065 -2.953 1
1 794 . 6 1 1 A 64 64 LYS H H 64 9.133 8.279 0.854 1
1 795 . 6 1 1 A 64 64 LYS HA H 64 4.588 4.317 0.271 1
1 802 . 6 1 1 A 64 64 LYS C C 64 175.500 176.402 -0.902 1
1 803 . 6 1 1 A 64 64 LYS CA C 64 55.231 55.951 -0.720 1
1 804 . 6 1 1 A 64 64 LYS CB C 64 32.452 31.873 0.579 1
1 807 . 6 1 1 A 64 64 LYS N N 64 122.500 123.542 -1.042 1
1 808 . 6 1 1 A 65 65 GLY H H 65 7.987 7.580 0.407 1
1 809 . 6 1 1 A 65 65 GLY HA2 H 65 4.500 4.186 0.314 1
1 810 . 6 1 1 A 65 65 GLY HA3 H 65 3.135 4.189 -1.054 1
1 811 . 6 1 1 A 65 65 GLY C C 65 171.300 172.528 -1.228 1
1 812 . 6 1 1 A 65 65 GLY CA C 65 44.920 46.050 -1.130 1
1 813 . 6 1 1 A 65 65 GLY N N 65 106.884 108.776 -1.892 1
1 814 . 6 1 1 A 66 66 ALA H H 66 7.671 8.304 -0.633 1
1 815 . 6 1 1 A 66 66 ALA HA H 66 4.911 4.460 0.451 1
1 819 . 6 1 1 A 66 66 ALA C C 66 177.400 176.732 0.668 1
1 820 . 6 1 1 A 66 66 ALA CA C 66 52.232 51.875 0.357 1
1 821 . 6 1 1 A 66 66 ALA CB C 66 18.719 20.121 -1.402 1
1 822 . 6 1 1 A 66 66 ALA N N 66 115.951 125.874 -9.923 1
1 823 . 6 1 1 A 67 67 VAL H H 67 8.951 8.665 0.286 1
1 824 . 6 1 1 A 67 67 VAL HA H 67 4.875 4.905 -0.030 1
1 832 . 6 1 1 A 67 67 VAL C C 67 173.400 173.874 -0.474 1
1 833 . 6 1 1 A 67 67 VAL CA C 67 59.368 59.188 0.180 1
1 834 . 6 1 1 A 67 67 VAL CB C 67 36.262 36.157 0.105 1
1 837 . 6 1 1 A 67 67 VAL N N 67 108.601 111.188 -2.587 1
1 838 . 6 1 1 A 68 68 ARG H H 68 9.043 8.720 0.323 1
1 839 . 6 1 1 A 68 68 ARG HA H 68 5.179 4.679 0.500 1
1 846 . 6 1 1 A 68 68 ARG C C 68 175.000 175.397 -0.397 1
1 847 . 6 1 1 A 68 68 ARG CA C 68 54.632 55.626 -0.994 1
1 848 . 6 1 1 A 68 68 ARG CB C 68 32.597 31.311 1.286 1
1 851 . 6 1 1 A 68 68 ARG N N 68 118.441 123.608 -5.167 1
1 852 . 6 1 1 A 69 69 ALA H H 69 9.561 8.538 1.023 1
1 853 . 6 1 1 A 69 69 ALA HA H 69 5.409 5.025 0.384 1
1 857 . 6 1 1 A 69 69 ALA C C 69 174.400 175.316 -0.916 1
1 858 . 6 1 1 A 69 69 ALA CA C 69 49.830 50.821 -0.991 1
1 859 . 6 1 1 A 69 69 ALA CB C 69 23.932 24.349 -0.417 1
1 860 . 6 1 1 A 69 69 ALA N N 69 126.495 126.528 -0.033 1
1 861 . 6 1 1 A 70 70 ARG H H 70 8.692 8.542 0.150 1
1 862 . 6 1 1 A 70 70 ARG HA H 70 5.169 5.066 0.103 1
1 869 . 6 1 1 A 70 70 ARG C C 70 175.700 174.910 0.790 1
1 870 . 6 1 1 A 70 70 ARG CA C 70 55.090 54.363 0.727 1
1 871 . 6 1 1 A 70 70 ARG CB C 70 33.544 33.894 -0.350 1
1 874 . 6 1 1 A 70 70 ARG N N 70 122.321 118.706 3.615 1
1 875 . 6 1 1 A 71 71 PHE H H 71 9.442 9.307 0.135 1
1 876 . 6 1 1 A 71 71 PHE HA H 71 4.859 4.999 -0.140 1
1 879 . 6 1 1 A 71 71 PHE C C 71 175.700 176.052 -0.352 1
1 880 . 6 1 1 A 71 71 PHE CA C 71 57.465 57.116 0.349 1
1 881 . 6 1 1 A 71 71 PHE CB C 71 41.819 40.120 1.699 1
1 882 . 6 1 1 A 71 71 PHE N N 71 128.794 123.761 5.033 1
1 883 . 6 1 1 A 72 72 GLU H H 72 8.968 9.182 -0.214 1
1 884 . 6 1 1 A 72 72 GLU HA H 72 4.242 4.183 0.059 1
1 889 . 6 1 1 A 72 72 GLU C C 72 176.500 178.349 -1.849 1
1 890 . 6 1 1 A 72 72 GLU CA C 72 58.604 59.232 -0.628 1
1 891 . 6 1 1 A 72 72 GLU CB C 72 30.263 29.596 0.667 1
1 893 . 6 1 1 A 72 72 GLU N N 72 121.197 124.572 -3.375 1
1 894 . 6 1 1 A 73 73 LYS H H 73 8.123 7.955 0.168 1
1 895 . 6 1 1 A 73 73 LYS HA H 73 4.514 4.209 0.305 1
1 904 . 6 1 1 A 73 73 LYS C C 73 175.300 177.131 -1.831 1
1 905 . 6 1 1 A 73 73 LYS CA C 73 54.839 58.151 -3.312 1
1 906 . 6 1 1 A 73 73 LYS CB C 73 34.555 33.000 1.555 1
1 910 . 6 1 1 A 73 73 LYS N N 73 117.266 117.764 -0.498 1
1 911 . 6 1 1 A 74 74 GLY H H 74 8.138 7.739 0.399 1
1 912 . 6 1 1 A 74 74 GLY HA2 H 74 3.733 4.030 -0.297 1
1 913 . 6 1 1 A 74 74 GLY HA3 H 74 3.734 4.033 -0.299 1
1 914 . 6 1 1 A 74 74 GLY C C 74 173.300 172.575 0.725 1
1 915 . 6 1 1 A 74 74 GLY CA C 74 45.289 44.327 0.962 1
1 916 . 6 1 1 A 74 74 GLY N N 74 105.973 104.450 1.523 1
1 917 . 6 1 1 A 75 75 LEU H H 75 7.924 8.237 -0.313 1
1 918 . 6 1 1 A 75 75 LEU HA H 75 4.337 4.658 -0.321 1
1 928 . 6 1 1 A 75 75 LEU CA C 75 52.387 52.089 0.298 1
1 929 . 6 1 1 A 75 75 LEU CB C 75 41.391 41.830 -0.439 1
1 933 . 6 1 1 A 75 75 LEU N N 75 122.540 122.111 0.429 1
1 934 . 6 1 1 A 76 76 PRO HA H 76 4.527 4.508 0.019 1
1 941 . 6 1 1 A 76 76 PRO C C 76 176.700 177.032 -0.332 1
1 942 . 6 1 1 A 76 76 PRO CA C 76 62.467 62.514 -0.047 1
1 943 . 6 1 1 A 76 76 PRO CB C 76 32.055 33.146 -1.091 1
1 946 . 6 1 1 A 77 77 GLY H H 77 8.346 8.289 0.057 1
1 947 . 6 1 1 A 77 77 GLY HA2 H 77 3.912 3.811 0.101 1
1 948 . 6 1 1 A 77 77 GLY HA3 H 77 3.836 3.837 -0.001 1
1 949 . 6 1 1 A 77 77 GLY C C 77 174.900 173.936 0.964 1
1 950 . 6 1 1 A 77 77 GLY CA C 77 46.447 46.363 0.084 1
1 951 . 6 1 1 A 77 77 GLY N N 77 107.966 106.555 1.411 1
1 952 . 6 1 1 A 78 78 GLN H H 78 8.226 7.656 0.570 1
1 953 . 6 1 1 A 78 78 GLN HA H 78 4.244 4.598 -0.354 1
1 960 . 6 1 1 A 78 78 GLN C C 78 175.500 174.490 1.010 1
1 961 . 6 1 1 A 78 78 GLN CA C 78 57.091 54.123 2.968 1
1 962 . 6 1 1 A 78 78 GLN CB C 78 28.933 30.826 -1.893 1
1 964 . 6 1 1 A 78 78 GLN N N 78 118.286 119.318 -1.032 1
1 966 . 6 1 1 A 79 79 ALA H H 79 7.890 8.529 -0.639 1
1 967 . 6 1 1 A 79 79 ALA HA H 79 4.211 3.973 0.238 1
1 971 . 6 1 1 A 79 79 ALA C C 79 177.100 176.462 0.638 1
1 972 . 6 1 1 A 79 79 ALA CA C 79 52.573 54.213 -1.640 1
1 973 . 6 1 1 A 79 79 ALA CB C 79 19.067 17.599 1.468 1
1 974 . 6 1 1 A 79 79 ALA N N 79 122.012 121.823 0.189 1
1 975 . 6 1 1 A 80 80 LEU H H 80 7.340 7.772 -0.432 1
1 976 . 6 1 1 A 80 80 LEU HA H 80 3.548 3.946 -0.398 1
1 986 . 6 1 1 A 80 80 LEU C C 80 178.200 177.273 0.927 1
1 987 . 6 1 1 A 80 80 LEU CA C 80 57.059 56.078 0.981 1
1 988 . 6 1 1 A 80 80 LEU CB C 80 41.010 41.672 -0.662 1
1 992 . 6 1 1 A 80 80 LEU N N 80 117.413 120.104 -2.691 1
1 993 . 6 1 1 A 81 81 GLY H H 81 8.704 8.702 0.002 1
1 994 . 6 1 1 A 81 81 GLY HA2 H 81 3.477 4.009 -0.532 1
1 995 . 6 1 1 A 81 81 GLY HA3 H 81 4.176 4.037 0.139 1
1 996 . 6 1 1 A 81 81 GLY C C 81 173.200 174.218 -1.018 1
1 997 . 6 1 1 A 81 81 GLY CA C 81 45.500 44.903 0.597 1
1 998 . 6 1 1 A 81 81 GLY N N 81 113.076 113.834 -0.758 1
1 999 . 6 1 1 A 82 82 ASP H H 82 8.092 7.945 0.147 1
1 1000 . 6 1 1 A 82 82 ASP HA H 82 4.711 4.892 -0.181 1
1 1003 . 6 1 1 A 82 82 ASP C C 82 175.400 175.200 0.200 1
1 1004 . 6 1 1 A 82 82 ASP CA C 82 53.447 53.721 -0.274 1
1 1005 . 6 1 1 A 82 82 ASP CB C 82 42.306 42.121 0.185 1
1 1006 . 6 1 1 A 82 82 ASP N N 82 120.648 121.189 -0.541 1
1 1007 . 6 1 1 A 83 83 TYR H H 83 8.637 9.141 -0.504 1
1 1008 . 6 1 1 A 83 83 TYR HA H 83 5.725 5.193 0.532 1
1 1011 . 6 1 1 A 83 83 TYR C C 83 176.800 176.358 0.442 1
1 1012 . 6 1 1 A 83 83 TYR CA C 83 57.359 57.287 0.072 1
1 1013 . 6 1 1 A 83 83 TYR CB C 83 40.594 39.981 0.613 1
1 1014 . 6 1 1 A 83 83 TYR N N 83 117.015 118.700 -1.685 1
1 1015 . 6 1 1 A 84 84 VAL H H 84 8.747 8.849 -0.102 1
1 1016 . 6 1 1 A 84 84 VAL HA H 84 5.006 5.117 -0.111 1
1 1024 . 6 1 1 A 84 84 VAL C C 84 175.200 174.999 0.201 1
1 1025 . 6 1 1 A 84 84 VAL CA C 84 58.855 60.541 -1.686 1
1 1026 . 6 1 1 A 84 84 VAL CB C 84 35.371 33.390 1.981 1
1 1029 . 6 1 1 A 84 84 VAL N N 84 111.283 119.782 -8.499 1
1 1030 . 6 1 1 A 85 85 GLU H H 85 8.384 8.771 -0.387 1
1 1031 . 6 1 1 A 85 85 GLU HA H 85 5.129 5.454 -0.325 1
1 1036 . 6 1 1 A 85 85 GLU C C 85 174.900 175.342 -0.442 1
1 1037 . 6 1 1 A 85 85 GLU CA C 85 55.209 54.802 0.407 1
1 1038 . 6 1 1 A 85 85 GLU CB C 85 33.531 34.358 -0.827 1
1 1040 . 6 1 1 A 85 85 GLU N N 85 118.476 120.777 -2.301 1
1 1041 . 6 1 1 A 86 86 ILE H H 86 9.344 8.830 0.514 1
1 1042 . 6 1 1 A 86 86 ILE HA H 86 4.951 4.579 0.372 1
1 1052 . 6 1 1 A 86 86 ILE C C 86 176.000 175.048 0.952 1
1 1053 . 6 1 1 A 86 86 ILE CA C 86 60.535 60.729 -0.194 1
1 1054 . 6 1 1 A 86 86 ILE CB C 86 39.154 36.963 2.191 1
1 1058 . 6 1 1 A 86 86 ILE N N 86 124.495 123.188 1.307 1
1 1 . 7 1 1 A 2 2 ARG HA H 2 5.159 4.844 0.315 1
1 8 . 7 1 1 A 2 2 ARG C C 2 175.500 175.243 0.257 1
1 9 . 7 1 1 A 2 2 ARG CA C 2 55.183 54.267 0.916 1
1 10 . 7 1 1 A 2 2 ARG CB C 2 32.737 32.759 -0.022 1
1 13 . 7 1 1 A 3 3 ILE H H 3 8.800 8.800 0.000 1
1 14 . 7 1 1 A 3 3 ILE HA H 3 4.674 4.848 -0.174 1
1 24 . 7 1 1 A 3 3 ILE C C 3 175.000 174.449 0.551 1
1 25 . 7 1 1 A 3 3 ILE CA C 3 60.050 59.632 0.418 1
1 26 . 7 1 1 A 3 3 ILE CB C 3 41.249 42.750 -1.501 1
1 30 . 7 1 1 A 3 3 ILE N N 3 119.700 120.699 -0.999 1
1 31 . 7 1 1 A 4 4 LYS H H 4 8.864 8.879 -0.015 1
1 32 . 7 1 1 A 4 4 LYS HA H 4 5.180 5.490 -0.310 1
1 41 . 7 1 1 A 4 4 LYS C C 4 176.800 174.854 1.946 1
1 42 . 7 1 1 A 4 4 LYS CA C 4 55.798 54.971 0.827 1
1 43 . 7 1 1 A 4 4 LYS CB C 4 35.471 35.781 -0.310 1
1 47 . 7 1 1 A 4 4 LYS N N 4 123.785 121.170 2.615 1
1 48 . 7 1 1 A 5 5 GLY H H 5 8.662 9.113 -0.451 1
1 49 . 7 1 1 A 5 5 GLY HA2 H 5 3.122 4.187 -1.065 1
1 50 . 7 1 1 A 5 5 GLY HA3 H 5 5.139 4.191 0.948 1
1 51 . 7 1 1 A 5 5 GLY C C 5 170.800 172.626 -1.826 1
1 52 . 7 1 1 A 5 5 GLY CA C 5 44.967 44.385 0.582 1
1 53 . 7 1 1 A 5 5 GLY N N 5 107.023 109.445 -2.422 1
1 54 . 7 1 1 A 6 6 VAL H H 6 8.168 8.231 -0.063 1
1 55 . 7 1 1 A 6 6 VAL HA H 6 4.936 4.334 0.602 1
1 63 . 7 1 1 A 6 6 VAL C C 6 175.100 174.953 0.147 1
1 64 . 7 1 1 A 6 6 VAL CA C 6 60.066 60.345 -0.279 1
1 65 . 7 1 1 A 6 6 VAL CB C 6 35.501 35.548 -0.047 1
1 68 . 7 1 1 A 6 6 VAL N N 6 118.930 119.835 -0.905 1
1 69 . 7 1 1 A 7 7 VAL H H 7 8.663 8.827 -0.164 1
1 70 . 7 1 1 A 7 7 VAL HA H 7 3.771 4.003 -0.232 1
1 78 . 7 1 1 A 7 7 VAL C C 7 176.020 175.471 0.549 1
1 79 . 7 1 1 A 7 7 VAL CA C 7 63.861 63.087 0.774 1
1 80 . 7 1 1 A 7 7 VAL CB C 7 31.549 32.212 -0.663 1
1 83 . 7 1 1 A 7 7 VAL N N 7 126.733 126.249 0.484 1
1 84 . 7 1 1 A 8 8 LEU H H 8 9.077 8.700 0.377 1
1 85 . 7 1 1 A 8 8 LEU HA H 8 4.396 4.358 0.038 1
1 95 . 7 1 1 A 8 8 LEU C C 8 177.000 176.504 0.496 1
1 96 . 7 1 1 A 8 8 LEU CA C 8 55.871 55.917 -0.046 1
1 97 . 7 1 1 A 8 8 LEU CB C 8 43.337 42.766 0.571 1
1 101 . 7 1 1 A 8 8 LEU N N 8 128.947 127.927 1.020 1
1 102 . 7 1 1 A 9 9 SER H H 9 7.409 7.530 -0.121 1
1 103 . 7 1 1 A 9 9 SER HA H 9 4.347 4.712 -0.365 1
1 106 . 7 1 1 A 9 9 SER C C 9 172.900 172.188 0.712 1
1 107 . 7 1 1 A 9 9 SER CA C 9 57.866 57.590 0.276 1
1 108 . 7 1 1 A 9 9 SER CB C 9 64.173 65.325 -1.152 1
1 109 . 7 1 1 A 9 9 SER N N 9 108.469 109.518 -1.049 1
1 110 . 7 1 1 A 10 10 TYR H H 10 8.464 8.869 -0.405 1
1 111 . 7 1 1 A 10 10 TYR HA H 10 5.064 5.205 -0.141 1
1 114 . 7 1 1 A 10 10 TYR C C 10 175.400 175.408 -0.008 1
1 115 . 7 1 1 A 10 10 TYR CA C 10 57.258 56.277 0.981 1
1 116 . 7 1 1 A 10 10 TYR CB C 10 40.325 40.221 0.104 1
1 117 . 7 1 1 A 10 10 TYR N N 10 121.190 122.295 -1.105 1
1 118 . 7 1 1 A 11 11 ARG H H 11 8.545 9.317 -0.772 1
1 119 . 7 1 1 A 11 11 ARG HA H 11 4.441 4.577 -0.136 1
1 126 . 7 1 1 A 11 11 ARG C C 11 174.800 175.208 -0.408 1
1 127 . 7 1 1 A 11 11 ARG CA C 11 55.308 55.295 0.013 1
1 128 . 7 1 1 A 11 11 ARG CB C 11 31.551 32.140 -0.589 1
1 131 . 7 1 1 A 11 11 ARG N N 11 124.044 123.708 0.336 1
1 132 . 7 1 1 A 12 12 ARG H H 12 8.562 8.578 -0.016 1
1 133 . 7 1 1 A 12 12 ARG HA H 12 4.577 4.722 -0.145 1
1 140 . 7 1 1 A 12 12 ARG C C 12 176.100 175.094 1.006 1
1 141 . 7 1 1 A 12 12 ARG CA C 12 55.803 54.563 1.240 1
1 142 . 7 1 1 A 12 12 ARG CB C 12 31.265 30.636 0.629 1
1 145 . 7 1 1 A 12 12 ARG N N 12 124.990 124.010 0.980 1
1 146 . 7 1 1 A 13 13 SER H H 13 8.485 8.910 -0.425 1
1 147 . 7 1 1 A 13 13 SER HA H 13 4.542 4.459 0.083 1
1 150 . 7 1 1 A 13 13 SER C C 13 175.000 173.702 1.298 1
1 151 . 7 1 1 A 13 13 SER CA C 13 57.790 58.903 -1.113 1
1 152 . 7 1 1 A 13 13 SER CB C 13 64.666 63.529 1.137 1
1 153 . 7 1 1 A 13 13 SER N N 13 118.058 122.098 -4.040 1
1 154 . 7 1 1 A 14 14 LYS H H 14 8.663 8.676 -0.013 1
1 155 . 7 1 1 A 14 14 LYS HA H 14 4.178 4.859 -0.681 1
1 164 . 7 1 1 A 14 14 LYS C C 14 177.400 175.839 1.561 1
1 165 . 7 1 1 A 14 14 LYS CA C 14 57.997 54.894 3.103 1
1 166 . 7 1 1 A 14 14 LYS CB C 14 32.686 32.618 0.068 1
1 170 . 7 1 1 A 14 14 LYS N N 14 123.187 121.352 1.835 1
1 171 . 7 1 1 A 15 15 GLU H H 15 8.525 9.367 -0.842 1
1 172 . 7 1 1 A 15 15 GLU HA H 15 4.217 4.552 -0.335 1
1 177 . 7 1 1 A 15 15 GLU C C 15 176.300 176.148 0.152 1
1 178 . 7 1 1 A 15 15 GLU CA C 15 57.504 57.409 0.095 1
1 179 . 7 1 1 A 15 15 GLU CB C 15 29.654 32.237 -2.583 1
1 181 . 7 1 1 A 15 15 GLU N N 15 118.364 120.961 -2.597 1
1 182 . 7 1 1 A 16 16 ASN H H 16 7.985 8.049 -0.064 1
1 183 . 7 1 1 A 16 16 ASN HA H 16 4.690 4.848 -0.158 1
1 188 . 7 1 1 A 16 16 ASN C C 16 175.100 175.220 -0.120 1
1 189 . 7 1 1 A 16 16 ASN CA C 16 53.363 52.462 0.901 1
1 190 . 7 1 1 A 16 16 ASN CB C 16 39.022 40.121 -1.099 1
1 191 . 7 1 1 A 16 16 ASN N N 16 117.467 116.991 0.476 1
1 193 . 7 1 1 A 17 17 GLN H H 17 8.384 8.675 -0.291 1
1 194 . 7 1 1 A 17 17 GLN HA H 17 4.256 4.488 -0.232 1
1 201 . 7 1 1 A 17 17 GLN C C 17 175.800 175.898 -0.098 1
1 202 . 7 1 1 A 17 17 GLN CA C 17 56.678 56.630 0.048 1
1 203 . 7 1 1 A 17 17 GLN CB C 17 29.071 29.816 -0.745 1
1 205 . 7 1 1 A 17 17 GLN N N 17 119.788 119.361 0.427 1
1 207 . 7 1 1 A 18 18 HIS H H 18 8.209 7.777 0.432 1
1 208 . 7 1 1 A 18 18 HIS HA H 18 4.683 4.747 -0.064 1
1 211 . 7 1 1 A 18 18 HIS C C 18 175.080 173.998 1.082 1
1 212 . 7 1 1 A 18 18 HIS CA C 18 55.839 54.920 0.919 1
1 213 . 7 1 1 A 18 18 HIS CB C 18 30.460 31.380 -0.920 1
1 214 . 7 1 1 A 18 18 HIS N N 18 117.984 119.387 -1.403 1
1 215 . 7 1 1 A 19 19 ASN H H 19 8.430 7.748 0.682 1
1 216 . 7 1 1 A 19 19 ASN HA H 19 4.813 4.547 0.266 1
1 221 . 7 1 1 A 19 19 ASN C C 19 174.300 174.570 -0.270 1
1 222 . 7 1 1 A 19 19 ASN CA C 19 53.172 53.857 -0.685 1
1 223 . 7 1 1 A 19 19 ASN CB C 19 38.503 38.893 -0.390 1
1 224 . 7 1 1 A 19 19 ASN N N 19 122.300 117.312 4.988 1
1 226 . 7 1 1 A 20 20 ASN H H 20 8.353 8.692 -0.339 1
1 227 . 7 1 1 A 20 20 ASN HA H 20 4.828 5.201 -0.373 1
1 232 . 7 1 1 A 20 20 ASN C C 20 174.000 173.521 0.479 1
1 233 . 7 1 1 A 20 20 ASN CA C 20 53.292 53.405 -0.113 1
1 234 . 7 1 1 A 20 20 ASN CB C 20 38.896 41.491 -2.595 1
1 235 . 7 1 1 A 20 20 ASN N N 20 117.387 119.729 -2.342 1
1 237 . 7 1 1 A 21 21 VAL H H 21 8.285 8.484 -0.199 1
1 238 . 7 1 1 A 21 21 VAL HA H 21 5.090 5.041 0.049 1
1 246 . 7 1 1 A 21 21 VAL C C 21 174.900 174.308 0.592 1
1 247 . 7 1 1 A 21 21 VAL CA C 21 61.409 60.112 1.297 1
1 248 . 7 1 1 A 21 21 VAL CB C 21 33.979 35.019 -1.040 1
1 251 . 7 1 1 A 21 21 VAL N N 21 120.718 125.684 -4.966 1
1 252 . 7 1 1 A 22 22 MET H H 22 9.083 8.726 0.357 1
1 253 . 7 1 1 A 22 22 MET HA H 22 5.073 5.235 -0.162 1
1 258 . 7 1 1 A 22 22 MET C C 22 174.600 173.987 0.613 1
1 259 . 7 1 1 A 22 22 MET CA C 22 53.096 53.879 -0.783 1
1 260 . 7 1 1 A 22 22 MET CB C 22 36.612 35.943 0.669 1
1 262 . 7 1 1 A 22 22 MET N N 22 123.693 120.955 2.738 1
1 263 . 7 1 1 A 23 23 ILE H H 23 8.761 8.659 0.102 1
1 264 . 7 1 1 A 23 23 ILE HA H 23 4.738 4.773 -0.035 1
1 274 . 7 1 1 A 23 23 ILE C C 23 175.500 175.187 0.313 1
1 275 . 7 1 1 A 23 23 ILE CA C 23 59.230 60.474 -1.244 1
1 276 . 7 1 1 A 23 23 ILE CB C 23 36.022 38.986 -2.964 1
1 280 . 7 1 1 A 23 23 ILE N N 23 123.898 122.909 0.989 1
1 281 . 7 1 1 A 24 24 ILE H H 24 9.048 8.965 0.083 1
1 282 . 7 1 1 A 24 24 ILE HA H 24 4.881 4.873 0.008 1
1 292 . 7 1 1 A 24 24 ILE C C 24 174.200 174.810 -0.610 1
1 293 . 7 1 1 A 24 24 ILE CA C 24 58.256 59.559 -1.303 1
1 294 . 7 1 1 A 24 24 ILE CB C 24 42.799 42.354 0.445 1
1 298 . 7 1 1 A 24 24 ILE N N 24 126.877 127.107 -0.230 1
1 299 . 7 1 1 A 25 25 LYS H H 25 9.205 8.314 0.891 1
1 300 . 7 1 1 A 25 25 LYS HA H 25 5.109 4.715 0.394 1
1 305 . 7 1 1 A 25 25 LYS CA C 25 50.908 52.852 -1.944 1
1 306 . 7 1 1 A 25 25 LYS CB C 25 34.893 36.144 -1.251 1
1 307 . 7 1 1 A 25 25 LYS N N 25 127.192 125.737 1.455 1
1 308 . 7 1 1 A 26 26 PRO HA H 26 4.823 4.549 0.274 1
1 315 . 7 1 1 A 26 26 PRO C C 26 177.300 177.621 -0.321 1
1 316 . 7 1 1 A 26 26 PRO CA C 26 61.185 62.416 -1.231 1
1 317 . 7 1 1 A 26 26 PRO CB C 26 30.625 33.161 -2.536 1
1 320 . 7 1 1 A 27 27 LEU H H 27 8.861 8.734 0.127 1
1 321 . 7 1 1 A 27 27 LEU HA H 27 4.101 3.894 0.207 1
1 331 . 7 1 1 A 27 27 LEU C C 27 177.800 178.352 -0.552 1
1 332 . 7 1 1 A 27 27 LEU CA C 27 57.590 58.419 -0.829 1
1 333 . 7 1 1 A 27 27 LEU CB C 27 40.721 41.950 -1.229 1
1 337 . 7 1 1 A 27 27 LEU N N 27 127.814 122.163 5.651 1
1 338 . 7 1 1 A 28 28 ASP H H 28 8.818 7.925 0.893 1
1 339 . 7 1 1 A 28 28 ASP HA H 28 4.477 4.579 -0.102 1
1 342 . 7 1 1 A 28 28 ASP C C 28 174.500 176.790 -2.290 1
1 343 . 7 1 1 A 28 28 ASP CA C 28 55.417 55.774 -0.357 1
1 344 . 7 1 1 A 28 28 ASP CB C 28 40.527 41.531 -1.004 1
1 345 . 7 1 1 A 28 28 ASP N N 28 114.920 117.423 -2.503 1
1 346 . 7 1 1 A 29 29 VAL H H 29 7.004 7.907 -0.903 1
1 347 . 7 1 1 A 29 29 VAL HA H 29 4.164 3.745 0.419 1
1 355 . 7 1 1 A 29 29 VAL C C 29 175.600 176.057 -0.457 1
1 356 . 7 1 1 A 29 29 VAL CA C 29 62.553 63.062 -0.509 1
1 357 . 7 1 1 A 29 29 VAL CB C 29 32.711 29.815 2.896 1
1 360 . 7 1 1 A 29 29 VAL N N 29 119.689 117.250 2.439 1
1 361 . 7 1 1 A 30 30 ASN H H 30 8.802 8.427 0.375 1
1 362 . 7 1 1 A 30 30 ASN HA H 30 5.409 5.082 0.327 1
1 367 . 7 1 1 A 30 30 ASN C C 30 173.400 174.212 -0.812 1
1 368 . 7 1 1 A 30 30 ASN CA C 30 53.262 53.310 -0.048 1
1 369 . 7 1 1 A 30 30 ASN CB C 30 41.186 37.886 3.300 1
1 370 . 7 1 1 A 30 30 ASN N N 30 122.479 118.508 3.971 1
1 372 . 7 1 1 A 31 31 SER H H 31 7.329 7.631 -0.302 1
1 373 . 7 1 1 A 31 31 SER HA H 31 4.878 4.807 0.071 1
1 376 . 7 1 1 A 31 31 SER C C 31 173.700 174.256 -0.556 1
1 377 . 7 1 1 A 31 31 SER CA C 31 56.428 57.573 -1.145 1
1 378 . 7 1 1 A 31 31 SER CB C 31 67.086 66.186 0.900 1
1 379 . 7 1 1 A 31 31 SER N N 31 109.583 113.996 -4.413 1
1 380 . 7 1 1 A 32 32 ARG H H 32 8.688 8.779 -0.091 1
1 381 . 7 1 1 A 32 32 ARG HA H 32 4.229 3.910 0.319 1
1 388 . 7 1 1 A 32 32 ARG C C 32 178.300 177.828 0.472 1
1 389 . 7 1 1 A 32 32 ARG CA C 32 58.914 59.301 -0.387 1
1 390 . 7 1 1 A 32 32 ARG CB C 32 30.785 29.888 0.897 1
1 393 . 7 1 1 A 32 32 ARG N N 32 123.538 126.619 -3.081 1
1 394 . 7 1 1 A 33 33 GLU H H 33 9.157 8.511 0.646 1
1 395 . 7 1 1 A 33 33 GLU HA H 33 4.012 4.109 -0.097 1
1 400 . 7 1 1 A 33 33 GLU C C 33 179.900 179.287 0.613 1
1 401 . 7 1 1 A 33 33 GLU CA C 33 60.615 59.058 1.557 1
1 402 . 7 1 1 A 33 33 GLU CB C 33 28.895 29.182 -0.287 1
1 404 . 7 1 1 A 33 33 GLU N N 33 120.517 118.796 1.721 1
1 405 . 7 1 1 A 34 34 GLU H H 34 7.623 8.125 -0.502 1
1 406 . 7 1 1 A 34 34 GLU HA H 34 4.096 4.104 -0.008 1
1 411 . 7 1 1 A 34 34 GLU C C 34 179.100 178.670 0.430 1
1 412 . 7 1 1 A 34 34 GLU CA C 34 58.647 59.211 -0.564 1
1 413 . 7 1 1 A 34 34 GLU CB C 34 30.874 29.223 1.651 1
1 415 . 7 1 1 A 34 34 GLU N N 34 118.275 120.352 -2.077 1
1 416 . 7 1 1 A 35 35 ALA H H 35 8.131 8.498 -0.367 1
1 417 . 7 1 1 A 35 35 ALA HA H 35 3.828 4.116 -0.288 1
1 421 . 7 1 1 A 35 35 ALA C C 35 179.800 179.546 0.254 1
1 422 . 7 1 1 A 35 35 ALA CA C 35 55.337 55.282 0.055 1
1 423 . 7 1 1 A 35 35 ALA CB C 35 18.361 18.633 -0.272 1
1 424 . 7 1 1 A 35 35 ALA N N 35 123.551 122.413 1.138 1
1 425 . 7 1 1 A 36 36 SER H H 36 8.279 8.852 -0.573 1
1 426 . 7 1 1 A 36 36 SER HA H 36 3.875 4.168 -0.293 1
1 429 . 7 1 1 A 36 36 SER C C 36 176.100 176.542 -0.442 1
1 430 . 7 1 1 A 36 36 SER CA C 36 61.573 60.950 0.623 1
1 431 . 7 1 1 A 36 36 SER CB C 36 63.126 63.180 -0.054 1
1 432 . 7 1 1 A 36 36 SER N N 36 112.905 112.704 0.201 1
1 433 . 7 1 1 A 37 37 LYS H H 37 7.120 7.451 -0.331 1
1 434 . 7 1 1 A 37 37 LYS HA H 37 4.203 4.059 0.144 1
1 443 . 7 1 1 A 37 37 LYS C C 37 177.100 179.311 -2.211 1
1 444 . 7 1 1 A 37 37 LYS CA C 37 57.553 59.657 -2.104 1
1 445 . 7 1 1 A 37 37 LYS CB C 37 32.178 32.150 0.028 1
1 449 . 7 1 1 A 37 37 LYS N N 37 119.081 121.432 -2.351 1
1 450 . 7 1 1 A 38 38 LEU H H 38 7.877 7.989 -0.112 1
1 451 . 7 1 1 A 38 38 LEU HA H 38 4.138 4.368 -0.230 1
1 461 . 7 1 1 A 38 38 LEU C C 38 176.400 176.768 -0.368 1
1 462 . 7 1 1 A 38 38 LEU CA C 38 54.225 55.340 -1.115 1
1 463 . 7 1 1 A 38 38 LEU CB C 38 42.192 41.378 0.814 1
1 467 . 7 1 1 A 38 38 LEU N N 38 115.729 115.669 0.060 1
1 468 . 7 1 1 A 39 39 ILE H H 39 6.958 7.177 -0.219 1
1 469 . 7 1 1 A 39 39 ILE HA H 39 3.252 3.740 -0.488 1
1 479 . 7 1 1 A 39 39 ILE C C 39 177.100 177.327 -0.227 1
1 480 . 7 1 1 A 39 39 ILE CA C 39 63.952 63.010 0.942 1
1 481 . 7 1 1 A 39 39 ILE CB C 39 36.338 37.695 -1.357 1
1 485 . 7 1 1 A 39 39 ILE N N 39 118.446 121.955 -3.509 1
1 486 . 7 1 1 A 40 40 GLY H H 40 8.877 8.913 -0.036 1
1 487 . 7 1 1 A 40 40 GLY HA2 H 40 4.518 3.809 0.709 1
1 488 . 7 1 1 A 40 40 GLY HA3 H 40 3.611 3.816 -0.205 1
1 489 . 7 1 1 A 40 40 GLY C C 40 174.600 174.541 0.059 1
1 490 . 7 1 1 A 40 40 GLY CA C 40 44.763 45.798 -1.035 1
1 491 . 7 1 1 A 40 40 GLY N N 40 115.966 117.392 -1.426 1
1 492 . 7 1 1 A 41 41 ARG H H 41 7.939 7.439 0.500 1
1 493 . 7 1 1 A 41 41 ARG HA H 41 4.481 4.395 0.086 1
1 500 . 7 1 1 A 41 41 ARG C C 41 175.000 175.052 -0.052 1
1 501 . 7 1 1 A 41 41 ARG CA C 41 56.298 55.897 0.401 1
1 502 . 7 1 1 A 41 41 ARG CB C 41 30.619 31.101 -0.482 1
1 505 . 7 1 1 A 41 41 ARG N N 41 118.629 120.108 -1.479 1
1 506 . 7 1 1 A 42 42 LEU H H 42 8.400 8.539 -0.139 1
1 507 . 7 1 1 A 42 42 LEU HA H 42 4.773 4.840 -0.067 1
1 517 . 7 1 1 A 42 42 LEU C C 42 175.200 175.416 -0.216 1
1 518 . 7 1 1 A 42 42 LEU CA C 42 54.561 53.749 0.812 1
1 519 . 7 1 1 A 42 42 LEU CB C 42 44.111 43.772 0.339 1
1 523 . 7 1 1 A 42 42 LEU N N 42 121.347 122.646 -1.299 1
1 524 . 7 1 1 A 43 43 VAL H H 43 8.189 8.727 -0.538 1
1 525 . 7 1 1 A 43 43 VAL HA H 43 5.045 4.654 0.391 1
1 533 . 7 1 1 A 43 43 VAL C C 43 173.800 174.962 -1.162 1
1 534 . 7 1 1 A 43 43 VAL CA C 43 59.401 61.259 -1.858 1
1 535 . 7 1 1 A 43 43 VAL CB C 43 34.438 33.078 1.360 1
1 538 . 7 1 1 A 43 43 VAL N N 43 120.875 124.972 -4.097 1
1 539 . 7 1 1 A 44 44 LEU H H 44 9.320 8.857 0.463 1
1 540 . 7 1 1 A 44 44 LEU HA H 44 5.371 5.105 0.266 1
1 550 . 7 1 1 A 44 44 LEU C C 44 176.600 174.788 1.812 1
1 551 . 7 1 1 A 44 44 LEU CA C 44 53.600 53.626 -0.026 1
1 552 . 7 1 1 A 44 44 LEU CB C 44 44.381 44.147 0.234 1
1 556 . 7 1 1 A 44 44 LEU N N 44 124.820 127.736 -2.916 1
1 557 . 7 1 1 A 45 45 TRP H H 45 9.251 9.061 0.190 1
1 558 . 7 1 1 A 45 45 TRP HA H 45 5.023 5.264 -0.241 1
1 561 . 7 1 1 A 45 45 TRP C C 45 173.100 175.042 -1.942 1
1 562 . 7 1 1 A 45 45 TRP CA C 45 57.182 55.460 1.722 1
1 563 . 7 1 1 A 45 45 TRP CB C 45 31.353 31.183 0.170 1
1 564 . 7 1 1 A 45 45 TRP N N 45 125.368 130.085 -4.717 1
1 565 . 7 1 1 A 46 46 LYS H H 46 8.064 8.336 -0.272 1
1 566 . 7 1 1 A 46 46 LYS HA H 46 4.314 4.316 -0.002 1
1 575 . 7 1 1 A 46 46 LYS C C 46 173.800 175.720 -1.920 1
1 576 . 7 1 1 A 46 46 LYS CA C 46 55.132 55.478 -0.346 1
1 577 . 7 1 1 A 46 46 LYS CB C 46 32.714 32.252 0.462 1
1 580 . 7 1 1 A 46 46 LYS N N 46 129.540 124.464 5.076 1
1 581 . 7 1 1 A 47 47 SER H H 47 8.208 7.980 0.228 1
1 582 . 7 1 1 A 47 47 SER HA H 47 3.245 3.578 -0.333 1
1 585 . 7 1 1 A 47 47 SER CA C 47 56.564 56.778 -0.214 1
1 586 . 7 1 1 A 47 47 SER CB C 47 63.584 62.588 0.996 1
1 587 . 7 1 1 A 47 47 SER N N 47 124.549 120.020 4.529 1
1 588 . 7 1 1 A 48 48 PRO HA H 48 4.286 4.403 -0.117 1
1 595 . 7 1 1 A 48 48 PRO C C 48 177.500 177.254 0.246 1
1 596 . 7 1 1 A 48 48 PRO CA C 48 65.461 64.389 1.072 1
1 597 . 7 1 1 A 48 48 PRO CB C 48 31.723 32.043 -0.320 1
1 600 . 7 1 1 A 49 49 SER H H 49 7.754 7.832 -0.078 1
1 601 . 7 1 1 A 49 49 SER HA H 49 4.414 4.315 0.099 1
1 604 . 7 1 1 A 49 49 SER C C 49 175.200 175.375 -0.175 1
1 605 . 7 1 1 A 49 49 SER CA C 49 58.552 58.145 0.407 1
1 606 . 7 1 1 A 49 49 SER CB C 49 63.820 62.614 1.206 1
1 607 . 7 1 1 A 49 49 SER N N 49 109.700 110.436 -0.736 1
1 608 . 7 1 1 A 50 50 GLY H H 50 8.194 7.957 0.237 1
1 609 . 7 1 1 A 50 50 GLY HA2 H 50 3.314 3.873 -0.559 1
1 610 . 7 1 1 A 50 50 GLY HA3 H 50 4.354 3.897 0.457 1
1 611 . 7 1 1 A 50 50 GLY C C 50 173.700 174.055 -0.355 1
1 612 . 7 1 1 A 50 50 GLY CA C 50 45.031 45.683 -0.652 1
1 613 . 7 1 1 A 50 50 GLY N N 50 111.568 110.483 1.085 1
1 614 . 7 1 1 A 51 51 LYS H H 51 7.246 7.916 -0.670 1
1 615 . 7 1 1 A 51 51 LYS HA H 51 4.246 4.378 -0.132 1
1 624 . 7 1 1 A 51 51 LYS C C 51 175.900 175.589 0.311 1
1 625 . 7 1 1 A 51 51 LYS CA C 51 55.948 55.925 0.023 1
1 626 . 7 1 1 A 51 51 LYS CB C 51 32.893 32.756 0.137 1
1 630 . 7 1 1 A 51 51 LYS N N 51 120.424 121.873 -1.449 1
1 631 . 7 1 1 A 52 52 ILE H H 52 8.718 8.713 0.005 1
1 632 . 7 1 1 A 52 52 ILE HA H 52 4.670 4.375 0.295 1
1 642 . 7 1 1 A 52 52 ILE C C 52 176.100 175.603 0.497 1
1 643 . 7 1 1 A 52 52 ILE CA C 52 60.261 60.530 -0.269 1
1 644 . 7 1 1 A 52 52 ILE CB C 52 38.268 37.440 0.828 1
1 648 . 7 1 1 A 52 52 ILE N N 52 125.588 128.478 -2.890 1
1 649 . 7 1 1 A 53 53 LEU H H 53 9.558 9.000 0.558 1
1 650 . 7 1 1 A 53 53 LEU HA H 53 4.930 5.150 -0.220 1
1 660 . 7 1 1 A 53 53 LEU C C 53 175.800 176.263 -0.463 1
1 661 . 7 1 1 A 53 53 LEU CA C 53 54.305 53.387 0.918 1
1 662 . 7 1 1 A 53 53 LEU CB C 53 44.080 44.540 -0.460 1
1 666 . 7 1 1 A 53 53 LEU N N 53 131.583 129.153 2.430 1
1 667 . 7 1 1 A 54 54 LYS H H 54 8.746 9.006 -0.260 1
1 668 . 7 1 1 A 54 54 LYS HA H 54 5.463 5.418 0.045 1
1 677 . 7 1 1 A 54 54 LYS C C 54 176.200 174.889 1.311 1
1 678 . 7 1 1 A 54 54 LYS CA C 54 55.474 54.906 0.568 1
1 679 . 7 1 1 A 54 54 LYS CB C 54 35.349 35.717 -0.368 1
1 683 . 7 1 1 A 54 54 LYS N N 54 120.463 120.647 -0.184 1
1 684 . 7 1 1 A 55 55 GLY H H 55 9.217 8.650 0.567 1
1 685 . 7 1 1 A 55 55 GLY HA2 H 55 4.347 3.395 0.952 1
1 686 . 7 1 1 A 55 55 GLY HA3 H 55 1.960 3.876 -1.916 1
1 687 . 7 1 1 A 55 55 GLY C C 55 172.400 172.435 -0.035 1
1 688 . 7 1 1 A 55 55 GLY CA C 55 43.890 44.134 -0.244 1
1 689 . 7 1 1 A 55 55 GLY N N 55 114.284 109.163 5.121 1
1 690 . 7 1 1 A 56 56 LYS H H 56 8.015 7.718 0.297 1
1 691 . 7 1 1 A 56 56 LYS HA H 56 5.145 4.807 0.338 1
1 700 . 7 1 1 A 56 56 LYS C C 56 176.000 174.667 1.333 1
1 701 . 7 1 1 A 56 56 LYS CA C 56 54.614 55.380 -0.766 1
1 702 . 7 1 1 A 56 56 LYS CB C 56 36.639 36.061 0.578 1
1 706 . 7 1 1 A 56 56 LYS N N 56 118.868 121.048 -2.180 1
1 707 . 7 1 1 A 57 57 ILE H H 57 8.693 8.237 0.456 1
1 708 . 7 1 1 A 57 57 ILE HA H 57 4.149 4.170 -0.021 1
1 718 . 7 1 1 A 57 57 ILE C C 57 177.200 177.114 0.086 1
1 719 . 7 1 1 A 57 57 ILE CA C 57 62.915 62.025 0.890 1
1 720 . 7 1 1 A 57 57 ILE CB C 57 36.286 37.933 -1.647 1
1 724 . 7 1 1 A 57 57 ILE N N 57 124.413 127.496 -3.083 1
1 725 . 7 1 1 A 58 58 VAL H H 58 8.931 8.670 0.261 1
1 726 . 7 1 1 A 58 58 VAL HA H 58 4.652 4.340 0.312 1
1 734 . 7 1 1 A 58 58 VAL C C 58 175.500 176.112 -0.612 1
1 735 . 7 1 1 A 58 58 VAL CA C 58 62.104 62.242 -0.138 1
1 736 . 7 1 1 A 58 58 VAL CB C 58 34.118 33.114 1.004 1
1 739 . 7 1 1 A 58 58 VAL N N 58 122.666 120.737 1.929 1
1 740 . 7 1 1 A 59 59 ARG H H 59 7.628 7.534 0.094 1
1 741 . 7 1 1 A 59 59 ARG HA H 59 4.667 4.662 0.005 1
1 748 . 7 1 1 A 59 59 ARG C C 59 175.000 173.546 1.454 1
1 749 . 7 1 1 A 59 59 ARG CA C 59 55.579 54.918 0.661 1
1 750 . 7 1 1 A 59 59 ARG CB C 59 34.890 32.585 2.305 1
1 753 . 7 1 1 A 59 59 ARG N N 59 117.696 118.377 -0.681 1
1 754 . 7 1 1 A 60 60 VAL H H 60 8.647 8.613 0.034 1
1 755 . 7 1 1 A 60 60 VAL HA H 60 4.405 4.678 -0.273 1
1 763 . 7 1 1 A 60 60 VAL C C 60 173.700 174.377 -0.677 1
1 764 . 7 1 1 A 60 60 VAL CA C 60 63.124 60.882 2.242 1
1 765 . 7 1 1 A 60 60 VAL CB C 60 32.087 32.706 -0.619 1
1 768 . 7 1 1 A 60 60 VAL N N 60 117.604 122.585 -4.981 1
1 769 . 7 1 1 A 61 61 HIS H H 61 8.397 8.981 -0.584 1
1 770 . 7 1 1 A 61 61 HIS HA H 61 4.796 4.999 -0.203 1
1 773 . 7 1 1 A 61 61 HIS C C 61 174.200 175.481 -1.281 1
1 774 . 7 1 1 A 61 61 HIS CA C 61 55.883 54.490 1.393 1
1 775 . 7 1 1 A 61 61 HIS CB C 61 33.995 32.752 1.243 1
1 776 . 7 1 1 A 61 61 HIS N N 61 124.046 126.455 -2.409 1
1 777 . 7 1 1 A 62 62 GLY H H 62 8.619 8.418 0.201 1
1 778 . 7 1 1 A 62 62 GLY HA2 H 62 4.014 3.894 0.120 1
1 779 . 7 1 1 A 62 62 GLY HA3 H 62 3.771 3.914 -0.143 1
1 780 . 7 1 1 A 62 62 GLY C C 62 176.300 174.521 1.779 1
1 781 . 7 1 1 A 62 62 GLY CA C 62 45.006 45.282 -0.276 1
1 782 . 7 1 1 A 62 62 GLY N N 62 114.965 112.077 2.888 1
1 783 . 7 1 1 A 63 63 THR H H 63 8.945 8.213 0.732 1
1 784 . 7 1 1 A 63 63 THR HA H 63 4.533 4.334 0.199 1
1 789 . 7 1 1 A 63 63 THR C C 63 175.200 174.056 1.144 1
1 790 . 7 1 1 A 63 63 THR CA C 63 61.793 62.418 -0.625 1
1 791 . 7 1 1 A 63 63 THR CB C 63 69.548 68.419 1.129 1
1 793 . 7 1 1 A 63 63 THR N N 63 111.112 113.802 -2.690 1
1 794 . 7 1 1 A 64 64 LYS H H 64 9.133 8.841 0.292 1
1 795 . 7 1 1 A 64 64 LYS HA H 64 4.588 4.001 0.587 1
1 802 . 7 1 1 A 64 64 LYS C C 64 175.500 175.745 -0.245 1
1 803 . 7 1 1 A 64 64 LYS CA C 64 55.231 57.514 -2.283 1
1 804 . 7 1 1 A 64 64 LYS CB C 64 32.452 31.922 0.530 1
1 807 . 7 1 1 A 64 64 LYS N N 64 122.500 122.257 0.243 1
1 808 . 7 1 1 A 65 65 GLY H H 65 7.987 8.403 -0.416 1
1 809 . 7 1 1 A 65 65 GLY HA2 H 65 4.500 4.029 0.471 1
1 810 . 7 1 1 A 65 65 GLY HA3 H 65 3.135 4.031 -0.896 1
1 811 . 7 1 1 A 65 65 GLY C C 65 171.300 172.095 -0.795 1
1 812 . 7 1 1 A 65 65 GLY CA C 65 44.920 45.100 -0.180 1
1 813 . 7 1 1 A 65 65 GLY N N 65 106.884 106.446 0.438 1
1 814 . 7 1 1 A 66 66 ALA H H 66 7.671 8.534 -0.863 1
1 815 . 7 1 1 A 66 66 ALA HA H 66 4.911 4.951 -0.040 1
1 819 . 7 1 1 A 66 66 ALA C C 66 177.400 175.473 1.927 1
1 820 . 7 1 1 A 66 66 ALA CA C 66 52.232 51.569 0.663 1
1 821 . 7 1 1 A 66 66 ALA CB C 66 18.719 22.887 -4.168 1
1 822 . 7 1 1 A 66 66 ALA N N 66 115.951 125.229 -9.278 1
1 823 . 7 1 1 A 67 67 VAL H H 67 8.951 8.559 0.392 1
1 824 . 7 1 1 A 67 67 VAL HA H 67 4.875 4.848 0.027 1
1 832 . 7 1 1 A 67 67 VAL C C 67 173.400 173.718 -0.318 1
1 833 . 7 1 1 A 67 67 VAL CA C 67 59.368 59.541 -0.173 1
1 834 . 7 1 1 A 67 67 VAL CB C 67 36.262 35.955 0.307 1
1 837 . 7 1 1 A 67 67 VAL N N 67 108.601 115.025 -6.424 1
1 838 . 7 1 1 A 68 68 ARG H H 68 9.043 8.916 0.127 1
1 839 . 7 1 1 A 68 68 ARG HA H 68 5.179 4.879 0.300 1
1 846 . 7 1 1 A 68 68 ARG C C 68 175.000 175.322 -0.322 1
1 847 . 7 1 1 A 68 68 ARG CA C 68 54.632 55.324 -0.692 1
1 848 . 7 1 1 A 68 68 ARG CB C 68 32.597 31.425 1.172 1
1 851 . 7 1 1 A 68 68 ARG N N 68 118.441 124.678 -6.237 1
1 852 . 7 1 1 A 69 69 ALA H H 69 9.561 8.571 0.990 1
1 853 . 7 1 1 A 69 69 ALA HA H 69 5.409 5.071 0.338 1
1 857 . 7 1 1 A 69 69 ALA C C 69 174.400 175.404 -1.004 1
1 858 . 7 1 1 A 69 69 ALA CA C 69 49.830 50.776 -0.946 1
1 859 . 7 1 1 A 69 69 ALA CB C 69 23.932 24.350 -0.418 1
1 860 . 7 1 1 A 69 69 ALA N N 69 126.495 126.729 -0.234 1
1 861 . 7 1 1 A 70 70 ARG H H 70 8.692 8.757 -0.065 1
1 862 . 7 1 1 A 70 70 ARG HA H 70 5.169 4.905 0.264 1
1 869 . 7 1 1 A 70 70 ARG C C 70 175.700 174.466 1.234 1
1 870 . 7 1 1 A 70 70 ARG CA C 70 55.090 55.265 -0.175 1
1 871 . 7 1 1 A 70 70 ARG CB C 70 33.544 34.094 -0.550 1
1 874 . 7 1 1 A 70 70 ARG N N 70 122.321 120.734 1.587 1
1 875 . 7 1 1 A 71 71 PHE H H 71 9.442 9.158 0.284 1
1 876 . 7 1 1 A 71 71 PHE HA H 71 4.859 4.785 0.074 1
1 879 . 7 1 1 A 71 71 PHE C C 71 175.700 176.930 -1.230 1
1 880 . 7 1 1 A 71 71 PHE CA C 71 57.465 57.520 -0.055 1
1 881 . 7 1 1 A 71 71 PHE CB C 71 41.819 40.399 1.420 1
1 882 . 7 1 1 A 71 71 PHE N N 71 128.794 125.833 2.961 1
1 883 . 7 1 1 A 72 72 GLU H H 72 8.968 9.026 -0.058 1
1 884 . 7 1 1 A 72 72 GLU HA H 72 4.242 4.137 0.105 1
1 889 . 7 1 1 A 72 72 GLU C C 72 176.500 176.944 -0.444 1
1 890 . 7 1 1 A 72 72 GLU CA C 72 58.604 58.463 0.141 1
1 891 . 7 1 1 A 72 72 GLU CB C 72 30.263 28.828 1.435 1
1 893 . 7 1 1 A 72 72 GLU N N 72 121.197 122.332 -1.135 1
1 894 . 7 1 1 A 73 73 LYS H H 73 8.123 7.894 0.229 1
1 895 . 7 1 1 A 73 73 LYS HA H 73 4.514 4.681 -0.167 1
1 904 . 7 1 1 A 73 73 LYS C C 73 175.300 175.986 -0.686 1
1 905 . 7 1 1 A 73 73 LYS CA C 73 54.839 57.932 -3.093 1
1 906 . 7 1 1 A 73 73 LYS CB C 73 34.555 35.301 -0.746 1
1 910 . 7 1 1 A 73 73 LYS N N 73 117.266 119.440 -2.174 1
1 911 . 7 1 1 A 74 74 GLY H H 74 8.138 7.589 0.549 1
1 912 . 7 1 1 A 74 74 GLY HA2 H 74 3.733 4.039 -0.306 1
1 913 . 7 1 1 A 74 74 GLY HA3 H 74 3.734 4.111 -0.377 1
1 914 . 7 1 1 A 74 74 GLY C C 74 173.300 172.023 1.277 1
1 915 . 7 1 1 A 74 74 GLY CA C 74 45.289 44.296 0.993 1
1 916 . 7 1 1 A 74 74 GLY N N 74 105.973 105.956 0.017 1
1 917 . 7 1 1 A 75 75 LEU H H 75 7.924 8.083 -0.159 1
1 918 . 7 1 1 A 75 75 LEU HA H 75 4.337 4.608 -0.271 1
1 928 . 7 1 1 A 75 75 LEU CA C 75 52.387 52.329 0.058 1
1 929 . 7 1 1 A 75 75 LEU CB C 75 41.391 41.916 -0.525 1
1 933 . 7 1 1 A 75 75 LEU N N 75 122.540 121.357 1.183 1
1 934 . 7 1 1 A 76 76 PRO HA H 76 4.527 4.522 0.005 1
1 941 . 7 1 1 A 76 76 PRO C C 76 176.700 177.385 -0.685 1
1 942 . 7 1 1 A 76 76 PRO CA C 76 62.467 63.750 -1.283 1
1 943 . 7 1 1 A 76 76 PRO CB C 76 32.055 31.150 0.905 1
1 946 . 7 1 1 A 77 77 GLY H H 77 8.346 8.834 -0.488 1
1 947 . 7 1 1 A 77 77 GLY HA2 H 77 3.912 3.793 0.119 1
1 948 . 7 1 1 A 77 77 GLY HA3 H 77 3.836 3.810 0.026 1
1 949 . 7 1 1 A 77 77 GLY C C 77 174.900 174.184 0.716 1
1 950 . 7 1 1 A 77 77 GLY CA C 77 46.447 47.181 -0.734 1
1 951 . 7 1 1 A 77 77 GLY N N 77 107.966 112.488 -4.522 1
1 952 . 7 1 1 A 78 78 GLN H H 78 8.226 8.466 -0.240 1
1 953 . 7 1 1 A 78 78 GLN HA H 78 4.244 4.441 -0.197 1
1 960 . 7 1 1 A 78 78 GLN C C 78 175.500 175.836 -0.336 1
1 961 . 7 1 1 A 78 78 GLN CA C 78 57.091 55.819 1.272 1
1 962 . 7 1 1 A 78 78 GLN CB C 78 28.933 28.827 0.106 1
1 964 . 7 1 1 A 78 78 GLN N N 78 118.286 125.904 -7.618 1
1 966 . 7 1 1 A 79 79 ALA H H 79 7.890 8.486 -0.596 1
1 967 . 7 1 1 A 79 79 ALA HA H 79 4.211 4.660 -0.449 1
1 971 . 7 1 1 A 79 79 ALA C C 79 177.100 177.131 -0.031 1
1 972 . 7 1 1 A 79 79 ALA CA C 79 52.573 51.575 0.998 1
1 973 . 7 1 1 A 79 79 ALA CB C 79 19.067 20.470 -1.403 1
1 974 . 7 1 1 A 79 79 ALA N N 79 122.012 129.353 -7.341 1
1 975 . 7 1 1 A 80 80 LEU H H 80 7.340 7.531 -0.191 1
1 976 . 7 1 1 A 80 80 LEU HA H 80 3.548 3.903 -0.355 1
1 986 . 7 1 1 A 80 80 LEU C C 80 178.200 177.433 0.767 1
1 987 . 7 1 1 A 80 80 LEU CA C 80 57.059 56.600 0.459 1
1 988 . 7 1 1 A 80 80 LEU CB C 80 41.010 41.700 -0.690 1
1 992 . 7 1 1 A 80 80 LEU N N 80 117.413 120.871 -3.458 1
1 993 . 7 1 1 A 81 81 GLY H H 81 8.704 8.867 -0.163 1
1 994 . 7 1 1 A 81 81 GLY HA2 H 81 3.477 4.000 -0.523 1
1 995 . 7 1 1 A 81 81 GLY HA3 H 81 4.176 4.031 0.145 1
1 996 . 7 1 1 A 81 81 GLY C C 81 173.200 174.345 -1.145 1
1 997 . 7 1 1 A 81 81 GLY CA C 81 45.500 45.021 0.479 1
1 998 . 7 1 1 A 81 81 GLY N N 81 113.076 115.171 -2.095 1
1 999 . 7 1 1 A 82 82 ASP H H 82 8.092 7.877 0.215 1
1 1000 . 7 1 1 A 82 82 ASP HA H 82 4.711 4.893 -0.182 1
1 1003 . 7 1 1 A 82 82 ASP C C 82 175.400 175.934 -0.534 1
1 1004 . 7 1 1 A 82 82 ASP CA C 82 53.447 55.011 -1.564 1
1 1005 . 7 1 1 A 82 82 ASP CB C 82 42.306 41.605 0.701 1
1 1006 . 7 1 1 A 82 82 ASP N N 82 120.648 122.113 -1.465 1
1 1007 . 7 1 1 A 83 83 TYR H H 83 8.637 8.819 -0.182 1
1 1008 . 7 1 1 A 83 83 TYR HA H 83 5.725 4.690 1.035 1
1 1011 . 7 1 1 A 83 83 TYR C C 83 176.800 176.275 0.525 1
1 1012 . 7 1 1 A 83 83 TYR CA C 83 57.359 59.509 -2.150 1
1 1013 . 7 1 1 A 83 83 TYR CB C 83 40.594 39.366 1.228 1
1 1014 . 7 1 1 A 83 83 TYR N N 83 117.015 122.002 -4.987 1
1 1015 . 7 1 1 A 84 84 VAL H H 84 8.747 8.586 0.161 1
1 1016 . 7 1 1 A 84 84 VAL HA H 84 5.006 5.127 -0.121 1
1 1024 . 7 1 1 A 84 84 VAL C C 84 175.200 175.008 0.192 1
1 1025 . 7 1 1 A 84 84 VAL CA C 84 58.855 60.369 -1.514 1
1 1026 . 7 1 1 A 84 84 VAL CB C 84 35.371 33.539 1.832 1
1 1029 . 7 1 1 A 84 84 VAL N N 84 111.283 119.249 -7.966 1
1 1030 . 7 1 1 A 85 85 GLU H H 85 8.384 8.863 -0.479 1
1 1031 . 7 1 1 A 85 85 GLU HA H 85 5.129 5.268 -0.139 1
1 1036 . 7 1 1 A 85 85 GLU C C 85 174.900 175.308 -0.408 1
1 1037 . 7 1 1 A 85 85 GLU CA C 85 55.209 54.910 0.299 1
1 1038 . 7 1 1 A 85 85 GLU CB C 85 33.531 34.048 -0.517 1
1 1040 . 7 1 1 A 85 85 GLU N N 85 118.476 120.700 -2.224 1
1 1041 . 7 1 1 A 86 86 ILE H H 86 9.344 8.891 0.453 1
1 1042 . 7 1 1 A 86 86 ILE HA H 86 4.951 4.465 0.486 1
1 1052 . 7 1 1 A 86 86 ILE C C 86 176.000 175.157 0.843 1
1 1053 . 7 1 1 A 86 86 ILE CA C 86 60.535 60.719 -0.184 1
1 1054 . 7 1 1 A 86 86 ILE CB C 86 39.154 36.522 2.632 1
1 1058 . 7 1 1 A 86 86 ILE N N 86 124.495 124.028 0.467 1
1 1 . 8 1 1 A 2 2 ARG HA H 2 5.159 4.788 0.371 1
1 8 . 8 1 1 A 2 2 ARG C C 2 175.500 175.207 0.293 1
1 9 . 8 1 1 A 2 2 ARG CA C 2 55.183 55.192 -0.009 1
1 10 . 8 1 1 A 2 2 ARG CB C 2 32.737 32.047 0.690 1
1 13 . 8 1 1 A 3 3 ILE H H 3 8.800 8.552 0.248 1
1 14 . 8 1 1 A 3 3 ILE HA H 3 4.674 4.833 -0.159 1
1 24 . 8 1 1 A 3 3 ILE C C 3 175.000 175.135 -0.135 1
1 25 . 8 1 1 A 3 3 ILE CA C 3 60.050 59.906 0.144 1
1 26 . 8 1 1 A 3 3 ILE CB C 3 41.249 42.567 -1.318 1
1 30 . 8 1 1 A 3 3 ILE N N 3 119.700 120.182 -0.482 1
1 31 . 8 1 1 A 4 4 LYS H H 4 8.864 8.516 0.348 1
1 32 . 8 1 1 A 4 4 LYS HA H 4 5.180 4.732 0.448 1
1 41 . 8 1 1 A 4 4 LYS C C 4 176.800 176.196 0.604 1
1 42 . 8 1 1 A 4 4 LYS CA C 4 55.798 55.798 0.000 1
1 43 . 8 1 1 A 4 4 LYS CB C 4 35.471 34.436 1.035 1
1 47 . 8 1 1 A 4 4 LYS N N 4 123.785 125.459 -1.674 1
1 48 . 8 1 1 A 5 5 GLY H H 5 8.662 8.286 0.376 1
1 49 . 8 1 1 A 5 5 GLY HA2 H 5 3.122 4.244 -1.122 1
1 50 . 8 1 1 A 5 5 GLY HA3 H 5 5.139 4.253 0.886 1
1 51 . 8 1 1 A 5 5 GLY C C 5 170.800 171.381 -0.581 1
1 52 . 8 1 1 A 5 5 GLY CA C 5 44.967 45.468 -0.501 1
1 53 . 8 1 1 A 5 5 GLY N N 5 107.023 108.447 -1.424 1
1 54 . 8 1 1 A 6 6 VAL H H 6 8.168 8.300 -0.132 1
1 55 . 8 1 1 A 6 6 VAL HA H 6 4.936 4.377 0.559 1
1 63 . 8 1 1 A 6 6 VAL C C 6 175.100 174.426 0.674 1
1 64 . 8 1 1 A 6 6 VAL CA C 6 60.066 60.322 -0.256 1
1 65 . 8 1 1 A 6 6 VAL CB C 6 35.501 35.385 0.116 1
1 68 . 8 1 1 A 6 6 VAL N N 6 118.930 119.434 -0.504 1
1 69 . 8 1 1 A 7 7 VAL H H 7 8.663 8.744 -0.081 1
1 70 . 8 1 1 A 7 7 VAL HA H 7 3.771 4.019 -0.248 1
1 78 . 8 1 1 A 7 7 VAL C C 7 176.020 175.462 0.558 1
1 79 . 8 1 1 A 7 7 VAL CA C 7 63.861 62.612 1.249 1
1 80 . 8 1 1 A 7 7 VAL CB C 7 31.549 31.959 -0.410 1
1 83 . 8 1 1 A 7 7 VAL N N 7 126.733 125.931 0.802 1
1 84 . 8 1 1 A 8 8 LEU H H 8 9.077 8.531 0.546 1
1 85 . 8 1 1 A 8 8 LEU HA H 8 4.396 4.358 0.038 1
1 95 . 8 1 1 A 8 8 LEU C C 8 177.000 176.872 0.128 1
1 96 . 8 1 1 A 8 8 LEU CA C 8 55.871 55.938 -0.067 1
1 97 . 8 1 1 A 8 8 LEU CB C 8 43.337 42.912 0.425 1
1 101 . 8 1 1 A 8 8 LEU N N 8 128.947 127.136 1.811 1
1 102 . 8 1 1 A 9 9 SER H H 9 7.409 7.633 -0.224 1
1 103 . 8 1 1 A 9 9 SER HA H 9 4.347 4.718 -0.371 1
1 106 . 8 1 1 A 9 9 SER C C 9 172.900 171.882 1.018 1
1 107 . 8 1 1 A 9 9 SER CA C 9 57.866 57.571 0.295 1
1 108 . 8 1 1 A 9 9 SER CB C 9 64.173 65.585 -1.412 1
1 109 . 8 1 1 A 9 9 SER N N 9 108.469 110.042 -1.573 1
1 110 . 8 1 1 A 10 10 TYR H H 10 8.464 9.032 -0.568 1
1 111 . 8 1 1 A 10 10 TYR HA H 10 5.064 4.963 0.101 1
1 114 . 8 1 1 A 10 10 TYR C C 10 175.400 174.208 1.192 1
1 115 . 8 1 1 A 10 10 TYR CA C 10 57.258 56.803 0.455 1
1 116 . 8 1 1 A 10 10 TYR CB C 10 40.325 39.961 0.364 1
1 117 . 8 1 1 A 10 10 TYR N N 10 121.190 129.582 -8.392 1
1 118 . 8 1 1 A 11 11 ARG H H 11 8.545 8.450 0.095 1
1 119 . 8 1 1 A 11 11 ARG HA H 11 4.441 4.600 -0.159 1
1 126 . 8 1 1 A 11 11 ARG C C 11 174.800 175.014 -0.214 1
1 127 . 8 1 1 A 11 11 ARG CA C 11 55.308 55.284 0.024 1
1 128 . 8 1 1 A 11 11 ARG CB C 11 31.551 32.235 -0.684 1
1 131 . 8 1 1 A 11 11 ARG N N 11 124.044 127.174 -3.130 1
1 132 . 8 1 1 A 12 12 ARG H H 12 8.562 8.673 -0.111 1
1 133 . 8 1 1 A 12 12 ARG HA H 12 4.577 4.549 0.028 1
1 140 . 8 1 1 A 12 12 ARG C C 12 176.100 174.631 1.469 1
1 141 . 8 1 1 A 12 12 ARG CA C 12 55.803 54.488 1.315 1
1 142 . 8 1 1 A 12 12 ARG CB C 12 31.265 30.673 0.592 1
1 145 . 8 1 1 A 12 12 ARG N N 12 124.990 124.198 0.792 1
1 146 . 8 1 1 A 13 13 SER H H 13 8.485 8.519 -0.034 1
1 147 . 8 1 1 A 13 13 SER HA H 13 4.542 4.346 0.196 1
1 150 . 8 1 1 A 13 13 SER C C 13 175.000 174.555 0.445 1
1 151 . 8 1 1 A 13 13 SER CA C 13 57.790 60.313 -2.523 1
1 152 . 8 1 1 A 13 13 SER CB C 13 64.666 63.624 1.042 1
1 153 . 8 1 1 A 13 13 SER N N 13 118.058 121.069 -3.011 1
1 154 . 8 1 1 A 14 14 LYS H H 14 8.663 8.681 -0.018 1
1 155 . 8 1 1 A 14 14 LYS HA H 14 4.178 4.277 -0.099 1
1 164 . 8 1 1 A 14 14 LYS C C 14 177.400 177.973 -0.573 1
1 165 . 8 1 1 A 14 14 LYS CA C 14 57.997 57.929 0.068 1
1 166 . 8 1 1 A 14 14 LYS CB C 14 32.686 32.088 0.598 1
1 170 . 8 1 1 A 14 14 LYS N N 14 123.187 126.587 -3.400 1
1 171 . 8 1 1 A 15 15 GLU H H 15 8.525 7.876 0.649 1
1 172 . 8 1 1 A 15 15 GLU HA H 15 4.217 4.355 -0.138 1
1 177 . 8 1 1 A 15 15 GLU C C 15 176.300 176.892 -0.592 1
1 178 . 8 1 1 A 15 15 GLU CA C 15 57.504 56.537 0.967 1
1 179 . 8 1 1 A 15 15 GLU CB C 15 29.654 29.912 -0.258 1
1 181 . 8 1 1 A 15 15 GLU N N 15 118.364 118.789 -0.425 1
1 182 . 8 1 1 A 16 16 ASN H H 16 7.985 8.174 -0.189 1
1 183 . 8 1 1 A 16 16 ASN HA H 16 4.690 4.607 0.083 1
1 188 . 8 1 1 A 16 16 ASN C C 16 175.100 175.502 -0.402 1
1 189 . 8 1 1 A 16 16 ASN CA C 16 53.363 55.067 -1.704 1
1 190 . 8 1 1 A 16 16 ASN CB C 16 39.022 38.161 0.861 1
1 191 . 8 1 1 A 16 16 ASN N N 16 117.467 117.156 0.311 1
1 193 . 8 1 1 A 17 17 GLN H H 17 8.384 9.821 -1.437 1
1 194 . 8 1 1 A 17 17 GLN HA H 17 4.256 4.342 -0.086 1
1 201 . 8 1 1 A 17 17 GLN C C 17 175.800 176.150 -0.350 1
1 202 . 8 1 1 A 17 17 GLN CA C 17 56.678 55.540 1.138 1
1 203 . 8 1 1 A 17 17 GLN CB C 17 29.071 27.530 1.541 1
1 205 . 8 1 1 A 17 17 GLN N N 17 119.788 116.345 3.443 1
1 207 . 8 1 1 A 18 18 HIS H H 18 8.209 8.147 0.062 1
1 208 . 8 1 1 A 18 18 HIS HA H 18 4.683 4.670 0.013 1
1 211 . 8 1 1 A 18 18 HIS C C 18 175.080 175.232 -0.152 1
1 212 . 8 1 1 A 18 18 HIS CA C 18 55.839 56.209 -0.370 1
1 213 . 8 1 1 A 18 18 HIS CB C 18 30.460 32.329 -1.869 1
1 214 . 8 1 1 A 18 18 HIS N N 18 117.984 117.998 -0.014 1
1 215 . 8 1 1 A 19 19 ASN H H 19 8.430 8.207 0.223 1
1 216 . 8 1 1 A 19 19 ASN HA H 19 4.813 4.736 0.077 1
1 221 . 8 1 1 A 19 19 ASN C C 19 174.300 174.328 -0.028 1
1 222 . 8 1 1 A 19 19 ASN CA C 19 53.172 53.668 -0.496 1
1 223 . 8 1 1 A 19 19 ASN CB C 19 38.503 37.936 0.567 1
1 224 . 8 1 1 A 19 19 ASN N N 19 122.300 118.263 4.037 1
1 226 . 8 1 1 A 20 20 ASN H H 20 8.353 8.535 -0.182 1
1 227 . 8 1 1 A 20 20 ASN HA H 20 4.828 4.706 0.122 1
1 232 . 8 1 1 A 20 20 ASN C C 20 174.000 175.479 -1.479 1
1 233 . 8 1 1 A 20 20 ASN CA C 20 53.292 53.401 -0.109 1
1 234 . 8 1 1 A 20 20 ASN CB C 20 38.896 39.000 -0.104 1
1 235 . 8 1 1 A 20 20 ASN N N 20 117.387 119.907 -2.520 1
1 237 . 8 1 1 A 21 21 VAL H H 21 8.285 8.372 -0.087 1
1 238 . 8 1 1 A 21 21 VAL HA H 21 5.090 4.807 0.283 1
1 246 . 8 1 1 A 21 21 VAL C C 21 174.900 175.170 -0.270 1
1 247 . 8 1 1 A 21 21 VAL CA C 21 61.409 60.962 0.447 1
1 248 . 8 1 1 A 21 21 VAL CB C 21 33.979 33.918 0.061 1
1 251 . 8 1 1 A 21 21 VAL N N 21 120.718 123.537 -2.819 1
1 252 . 8 1 1 A 22 22 MET H H 22 9.083 8.690 0.393 1
1 253 . 8 1 1 A 22 22 MET HA H 22 5.073 5.026 0.047 1
1 258 . 8 1 1 A 22 22 MET C C 22 174.600 174.776 -0.176 1
1 259 . 8 1 1 A 22 22 MET CA C 22 53.096 54.810 -1.714 1
1 260 . 8 1 1 A 22 22 MET CB C 22 36.612 35.913 0.699 1
1 262 . 8 1 1 A 22 22 MET N N 22 123.693 124.444 -0.751 1
1 263 . 8 1 1 A 23 23 ILE H H 23 8.761 8.811 -0.050 1
1 264 . 8 1 1 A 23 23 ILE HA H 23 4.738 4.693 0.045 1
1 274 . 8 1 1 A 23 23 ILE C C 23 175.500 175.250 0.250 1
1 275 . 8 1 1 A 23 23 ILE CA C 23 59.230 61.260 -2.030 1
1 276 . 8 1 1 A 23 23 ILE CB C 23 36.022 38.158 -2.136 1
1 280 . 8 1 1 A 23 23 ILE N N 23 123.898 126.453 -2.555 1
1 281 . 8 1 1 A 24 24 ILE H H 24 9.048 8.971 0.077 1
1 282 . 8 1 1 A 24 24 ILE HA H 24 4.881 4.854 0.027 1
1 292 . 8 1 1 A 24 24 ILE C C 24 174.200 174.819 -0.619 1
1 293 . 8 1 1 A 24 24 ILE CA C 24 58.256 59.366 -1.110 1
1 294 . 8 1 1 A 24 24 ILE CB C 24 42.799 42.302 0.497 1
1 298 . 8 1 1 A 24 24 ILE N N 24 126.877 127.361 -0.484 1
1 299 . 8 1 1 A 25 25 LYS H H 25 9.205 8.294 0.911 1
1 300 . 8 1 1 A 25 25 LYS HA H 25 5.109 4.670 0.439 1
1 305 . 8 1 1 A 25 25 LYS CA C 25 50.908 52.829 -1.921 1
1 306 . 8 1 1 A 25 25 LYS CB C 25 34.893 35.924 -1.031 1
1 307 . 8 1 1 A 25 25 LYS N N 25 127.192 125.788 1.404 1
1 308 . 8 1 1 A 26 26 PRO HA H 26 4.823 4.546 0.277 1
1 315 . 8 1 1 A 26 26 PRO C C 26 177.300 177.683 -0.383 1
1 316 . 8 1 1 A 26 26 PRO CA C 26 61.185 62.410 -1.225 1
1 317 . 8 1 1 A 26 26 PRO CB C 26 30.625 32.898 -2.273 1
1 320 . 8 1 1 A 27 27 LEU H H 27 8.861 8.652 0.209 1
1 321 . 8 1 1 A 27 27 LEU HA H 27 4.101 3.898 0.203 1
1 331 . 8 1 1 A 27 27 LEU C C 27 177.800 178.059 -0.259 1
1 332 . 8 1 1 A 27 27 LEU CA C 27 57.590 58.469 -0.879 1
1 333 . 8 1 1 A 27 27 LEU CB C 27 40.721 42.020 -1.299 1
1 337 . 8 1 1 A 27 27 LEU N N 27 127.814 123.087 4.727 1
1 338 . 8 1 1 A 28 28 ASP H H 28 8.818 8.050 0.768 1
1 339 . 8 1 1 A 28 28 ASP HA H 28 4.477 4.587 -0.110 1
1 342 . 8 1 1 A 28 28 ASP C C 28 174.500 176.626 -2.126 1
1 343 . 8 1 1 A 28 28 ASP CA C 28 55.417 56.126 -0.709 1
1 344 . 8 1 1 A 28 28 ASP CB C 28 40.527 41.495 -0.968 1
1 345 . 8 1 1 A 28 28 ASP N N 28 114.920 117.721 -2.801 1
1 346 . 8 1 1 A 29 29 VAL H H 29 7.004 7.906 -0.902 1
1 347 . 8 1 1 A 29 29 VAL HA H 29 4.164 3.745 0.419 1
1 355 . 8 1 1 A 29 29 VAL C C 29 175.600 175.982 -0.382 1
1 356 . 8 1 1 A 29 29 VAL CA C 29 62.553 62.983 -0.430 1
1 357 . 8 1 1 A 29 29 VAL CB C 29 32.711 29.738 2.973 1
1 360 . 8 1 1 A 29 29 VAL N N 29 119.689 117.037 2.652 1
1 361 . 8 1 1 A 30 30 ASN H H 30 8.802 8.276 0.526 1
1 362 . 8 1 1 A 30 30 ASN HA H 30 5.409 5.086 0.323 1
1 367 . 8 1 1 A 30 30 ASN C C 30 173.400 174.183 -0.783 1
1 368 . 8 1 1 A 30 30 ASN CA C 30 53.262 53.208 0.054 1
1 369 . 8 1 1 A 30 30 ASN CB C 30 41.186 38.078 3.108 1
1 370 . 8 1 1 A 30 30 ASN N N 30 122.479 119.455 3.024 1
1 372 . 8 1 1 A 31 31 SER H H 31 7.329 7.626 -0.297 1
1 373 . 8 1 1 A 31 31 SER HA H 31 4.878 4.795 0.083 1
1 376 . 8 1 1 A 31 31 SER C C 31 173.700 174.291 -0.591 1
1 377 . 8 1 1 A 31 31 SER CA C 31 56.428 57.520 -1.092 1
1 378 . 8 1 1 A 31 31 SER CB C 31 67.086 66.052 1.034 1
1 379 . 8 1 1 A 31 31 SER N N 31 109.583 114.288 -4.705 1
1 380 . 8 1 1 A 32 32 ARG H H 32 8.688 8.805 -0.117 1
1 381 . 8 1 1 A 32 32 ARG HA H 32 4.229 3.894 0.335 1
1 388 . 8 1 1 A 32 32 ARG C C 32 178.300 177.356 0.944 1
1 389 . 8 1 1 A 32 32 ARG CA C 32 58.914 59.460 -0.546 1
1 390 . 8 1 1 A 32 32 ARG CB C 32 30.785 29.879 0.906 1
1 393 . 8 1 1 A 32 32 ARG N N 32 123.538 126.941 -3.403 1
1 394 . 8 1 1 A 33 33 GLU H H 33 9.157 8.292 0.865 1
1 395 . 8 1 1 A 33 33 GLU HA H 33 4.012 4.065 -0.053 1
1 400 . 8 1 1 A 33 33 GLU C C 33 179.900 179.209 0.691 1
1 401 . 8 1 1 A 33 33 GLU CA C 33 60.615 59.462 1.153 1
1 402 . 8 1 1 A 33 33 GLU CB C 33 28.895 29.144 -0.249 1
1 404 . 8 1 1 A 33 33 GLU N N 33 120.517 119.257 1.260 1
1 405 . 8 1 1 A 34 34 GLU H H 34 7.623 8.096 -0.473 1
1 406 . 8 1 1 A 34 34 GLU HA H 34 4.096 4.104 -0.008 1
1 411 . 8 1 1 A 34 34 GLU C C 34 179.100 178.730 0.370 1
1 412 . 8 1 1 A 34 34 GLU CA C 34 58.647 59.069 -0.422 1
1 413 . 8 1 1 A 34 34 GLU CB C 34 30.874 29.142 1.732 1
1 415 . 8 1 1 A 34 34 GLU N N 34 118.275 119.664 -1.389 1
1 416 . 8 1 1 A 35 35 ALA H H 35 8.131 8.555 -0.424 1
1 417 . 8 1 1 A 35 35 ALA HA H 35 3.828 4.102 -0.274 1
1 421 . 8 1 1 A 35 35 ALA C C 35 179.800 179.315 0.485 1
1 422 . 8 1 1 A 35 35 ALA CA C 35 55.337 55.224 0.113 1
1 423 . 8 1 1 A 35 35 ALA CB C 35 18.361 18.661 -0.300 1
1 424 . 8 1 1 A 35 35 ALA N N 35 123.551 122.538 1.013 1
1 425 . 8 1 1 A 36 36 SER H H 36 8.279 8.871 -0.592 1
1 426 . 8 1 1 A 36 36 SER HA H 36 3.875 4.181 -0.306 1
1 429 . 8 1 1 A 36 36 SER C C 36 176.100 176.746 -0.646 1
1 430 . 8 1 1 A 36 36 SER CA C 36 61.573 61.060 0.513 1
1 431 . 8 1 1 A 36 36 SER CB C 36 63.126 62.879 0.247 1
1 432 . 8 1 1 A 36 36 SER N N 36 112.905 113.176 -0.271 1
1 433 . 8 1 1 A 37 37 LYS H H 37 7.120 7.705 -0.585 1
1 434 . 8 1 1 A 37 37 LYS HA H 37 4.203 4.060 0.143 1
1 443 . 8 1 1 A 37 37 LYS C C 37 177.100 179.602 -2.502 1
1 444 . 8 1 1 A 37 37 LYS CA C 37 57.553 59.561 -2.008 1
1 445 . 8 1 1 A 37 37 LYS CB C 37 32.178 32.130 0.048 1
1 449 . 8 1 1 A 37 37 LYS N N 37 119.081 120.876 -1.795 1
1 450 . 8 1 1 A 38 38 LEU H H 38 7.877 7.695 0.182 1
1 451 . 8 1 1 A 38 38 LEU HA H 38 4.138 4.213 -0.075 1
1 461 . 8 1 1 A 38 38 LEU C C 38 176.400 178.456 -2.056 1
1 462 . 8 1 1 A 38 38 LEU CA C 38 54.225 56.221 -1.996 1
1 463 . 8 1 1 A 38 38 LEU CB C 38 42.192 41.091 1.101 1
1 467 . 8 1 1 A 38 38 LEU N N 38 115.729 117.740 -2.011 1
1 468 . 8 1 1 A 39 39 ILE H H 39 6.958 7.246 -0.288 1
1 469 . 8 1 1 A 39 39 ILE HA H 39 3.252 3.943 -0.691 1
1 479 . 8 1 1 A 39 39 ILE C C 39 177.100 177.283 -0.183 1
1 480 . 8 1 1 A 39 39 ILE CA C 39 63.952 64.466 -0.514 1
1 481 . 8 1 1 A 39 39 ILE CB C 39 36.338 37.778 -1.440 1
1 485 . 8 1 1 A 39 39 ILE N N 39 118.446 120.776 -2.330 1
1 486 . 8 1 1 A 40 40 GLY H H 40 8.877 7.882 0.995 1
1 487 . 8 1 1 A 40 40 GLY HA2 H 40 4.518 3.998 0.520 1
1 488 . 8 1 1 A 40 40 GLY HA3 H 40 3.611 4.001 -0.390 1
1 489 . 8 1 1 A 40 40 GLY C C 40 174.600 174.174 0.426 1
1 490 . 8 1 1 A 40 40 GLY CA C 40 44.763 45.190 -0.427 1
1 491 . 8 1 1 A 40 40 GLY N N 40 115.966 108.956 7.010 1
1 492 . 8 1 1 A 41 41 ARG H H 41 7.939 8.061 -0.122 1
1 493 . 8 1 1 A 41 41 ARG HA H 41 4.481 4.440 0.041 1
1 500 . 8 1 1 A 41 41 ARG C C 41 175.000 174.933 0.067 1
1 501 . 8 1 1 A 41 41 ARG CA C 41 56.298 56.013 0.285 1
1 502 . 8 1 1 A 41 41 ARG CB C 41 30.619 31.952 -1.333 1
1 505 . 8 1 1 A 41 41 ARG N N 41 118.629 120.403 -1.774 1
1 506 . 8 1 1 A 42 42 LEU H H 42 8.400 8.379 0.021 1
1 507 . 8 1 1 A 42 42 LEU HA H 42 4.773 4.817 -0.044 1
1 517 . 8 1 1 A 42 42 LEU C C 42 175.200 175.149 0.051 1
1 518 . 8 1 1 A 42 42 LEU CA C 42 54.561 53.713 0.848 1
1 519 . 8 1 1 A 42 42 LEU CB C 42 44.111 45.197 -1.086 1
1 523 . 8 1 1 A 42 42 LEU N N 42 121.347 123.008 -1.661 1
1 524 . 8 1 1 A 43 43 VAL H H 43 8.189 8.757 -0.568 1
1 525 . 8 1 1 A 43 43 VAL HA H 43 5.045 4.885 0.160 1
1 533 . 8 1 1 A 43 43 VAL C C 43 173.800 174.183 -0.383 1
1 534 . 8 1 1 A 43 43 VAL CA C 43 59.401 60.502 -1.101 1
1 535 . 8 1 1 A 43 43 VAL CB C 43 34.438 33.665 0.773 1
1 538 . 8 1 1 A 43 43 VAL N N 43 120.875 119.752 1.123 1
1 539 . 8 1 1 A 44 44 LEU H H 44 9.320 9.071 0.249 1
1 540 . 8 1 1 A 44 44 LEU HA H 44 5.371 5.185 0.186 1
1 550 . 8 1 1 A 44 44 LEU C C 44 176.600 175.062 1.538 1
1 551 . 8 1 1 A 44 44 LEU CA C 44 53.600 53.461 0.139 1
1 552 . 8 1 1 A 44 44 LEU CB C 44 44.381 43.940 0.441 1
1 556 . 8 1 1 A 44 44 LEU N N 44 124.820 129.329 -4.509 1
1 557 . 8 1 1 A 45 45 TRP H H 45 9.251 8.942 0.309 1
1 558 . 8 1 1 A 45 45 TRP HA H 45 5.023 5.342 -0.319 1
1 561 . 8 1 1 A 45 45 TRP C C 45 173.100 175.069 -1.969 1
1 562 . 8 1 1 A 45 45 TRP CA C 45 57.182 55.313 1.869 1
1 563 . 8 1 1 A 45 45 TRP CB C 45 31.353 31.743 -0.390 1
1 564 . 8 1 1 A 45 45 TRP N N 45 125.368 129.930 -4.562 1
1 565 . 8 1 1 A 46 46 LYS H H 46 8.064 8.493 -0.429 1
1 566 . 8 1 1 A 46 46 LYS HA H 46 4.314 4.234 0.080 1
1 575 . 8 1 1 A 46 46 LYS C C 46 173.800 174.800 -1.000 1
1 576 . 8 1 1 A 46 46 LYS CA C 46 55.132 55.444 -0.312 1
1 577 . 8 1 1 A 46 46 LYS CB C 46 32.714 32.393 0.321 1
1 580 . 8 1 1 A 46 46 LYS N N 46 129.540 123.962 5.578 1
1 581 . 8 1 1 A 47 47 SER H H 47 8.208 7.499 0.709 1
1 582 . 8 1 1 A 47 47 SER HA H 47 3.245 3.818 -0.573 1
1 585 . 8 1 1 A 47 47 SER CA C 47 56.564 55.586 0.978 1
1 586 . 8 1 1 A 47 47 SER CB C 47 63.584 63.542 0.042 1
1 587 . 8 1 1 A 47 47 SER N N 47 124.549 120.956 3.593 1
1 588 . 8 1 1 A 48 48 PRO HA H 48 4.286 4.354 -0.068 1
1 595 . 8 1 1 A 48 48 PRO C C 48 177.500 177.678 -0.178 1
1 596 . 8 1 1 A 48 48 PRO CA C 48 65.461 64.157 1.304 1
1 597 . 8 1 1 A 48 48 PRO CB C 48 31.723 31.761 -0.038 1
1 600 . 8 1 1 A 49 49 SER H H 49 7.754 7.718 0.036 1
1 601 . 8 1 1 A 49 49 SER HA H 49 4.414 4.494 -0.080 1
1 604 . 8 1 1 A 49 49 SER C C 49 175.200 174.615 0.585 1
1 605 . 8 1 1 A 49 49 SER CA C 49 58.552 58.302 0.250 1
1 606 . 8 1 1 A 49 49 SER CB C 49 63.820 63.648 0.172 1
1 607 . 8 1 1 A 49 49 SER N N 49 109.700 112.183 -2.483 1
1 608 . 8 1 1 A 50 50 GLY H H 50 8.194 9.520 -1.326 1
1 609 . 8 1 1 A 50 50 GLY HA2 H 50 3.314 3.898 -0.584 1
1 610 . 8 1 1 A 50 50 GLY HA3 H 50 4.354 3.918 0.436 1
1 611 . 8 1 1 A 50 50 GLY C C 50 173.700 173.573 0.127 1
1 612 . 8 1 1 A 50 50 GLY CA C 50 45.031 46.381 -1.350 1
1 613 . 8 1 1 A 50 50 GLY N N 50 111.568 109.597 1.971 1
1 614 . 8 1 1 A 51 51 LYS H H 51 7.246 7.140 0.106 1
1 615 . 8 1 1 A 51 51 LYS HA H 51 4.246 4.506 -0.260 1
1 624 . 8 1 1 A 51 51 LYS C C 51 175.900 174.608 1.292 1
1 625 . 8 1 1 A 51 51 LYS CA C 51 55.948 55.869 0.079 1
1 626 . 8 1 1 A 51 51 LYS CB C 51 32.893 34.518 -1.625 1
1 630 . 8 1 1 A 51 51 LYS N N 51 120.424 118.000 2.424 1
1 631 . 8 1 1 A 52 52 ILE H H 52 8.718 8.846 -0.128 1
1 632 . 8 1 1 A 52 52 ILE HA H 52 4.670 4.193 0.477 1
1 642 . 8 1 1 A 52 52 ILE C C 52 176.100 175.295 0.805 1
1 643 . 8 1 1 A 52 52 ILE CA C 52 60.261 60.249 0.012 1
1 644 . 8 1 1 A 52 52 ILE CB C 52 38.268 37.263 1.005 1
1 648 . 8 1 1 A 52 52 ILE N N 52 125.588 127.230 -1.642 1
1 649 . 8 1 1 A 53 53 LEU H H 53 9.558 8.704 0.854 1
1 650 . 8 1 1 A 53 53 LEU HA H 53 4.930 5.171 -0.241 1
1 660 . 8 1 1 A 53 53 LEU C C 53 175.800 176.058 -0.258 1
1 661 . 8 1 1 A 53 53 LEU CA C 53 54.305 53.237 1.068 1
1 662 . 8 1 1 A 53 53 LEU CB C 53 44.080 45.056 -0.976 1
1 666 . 8 1 1 A 53 53 LEU N N 53 131.583 129.007 2.576 1
1 667 . 8 1 1 A 54 54 LYS H H 54 8.746 8.955 -0.209 1
1 668 . 8 1 1 A 54 54 LYS HA H 54 5.463 5.497 -0.034 1
1 677 . 8 1 1 A 54 54 LYS C C 54 176.200 175.070 1.130 1
1 678 . 8 1 1 A 54 54 LYS CA C 54 55.474 55.147 0.327 1
1 679 . 8 1 1 A 54 54 LYS CB C 54 35.349 34.684 0.665 1
1 683 . 8 1 1 A 54 54 LYS N N 54 120.463 120.827 -0.364 1
1 684 . 8 1 1 A 55 55 GLY H H 55 9.217 8.939 0.278 1
1 685 . 8 1 1 A 55 55 GLY HA2 H 55 4.347 3.554 0.793 1
1 686 . 8 1 1 A 55 55 GLY HA3 H 55 1.960 3.908 -1.948 1
1 687 . 8 1 1 A 55 55 GLY C C 55 172.400 172.434 -0.034 1
1 688 . 8 1 1 A 55 55 GLY CA C 55 43.890 44.301 -0.411 1
1 689 . 8 1 1 A 55 55 GLY N N 55 114.284 109.891 4.393 1
1 690 . 8 1 1 A 56 56 LYS H H 56 8.015 8.138 -0.123 1
1 691 . 8 1 1 A 56 56 LYS HA H 56 5.145 4.832 0.313 1
1 700 . 8 1 1 A 56 56 LYS C C 56 176.000 174.593 1.407 1
1 701 . 8 1 1 A 56 56 LYS CA C 56 54.614 55.254 -0.640 1
1 702 . 8 1 1 A 56 56 LYS CB C 56 36.639 36.318 0.321 1
1 706 . 8 1 1 A 56 56 LYS N N 56 118.868 121.614 -2.746 1
1 707 . 8 1 1 A 57 57 ILE H H 57 8.693 8.339 0.354 1
1 708 . 8 1 1 A 57 57 ILE HA H 57 4.149 4.123 0.026 1
1 718 . 8 1 1 A 57 57 ILE C C 57 177.200 177.055 0.145 1
1 719 . 8 1 1 A 57 57 ILE CA C 57 62.915 61.878 1.037 1
1 720 . 8 1 1 A 57 57 ILE CB C 57 36.286 37.978 -1.692 1
1 724 . 8 1 1 A 57 57 ILE N N 57 124.413 127.217 -2.804 1
1 725 . 8 1 1 A 58 58 VAL H H 58 8.931 8.526 0.405 1
1 726 . 8 1 1 A 58 58 VAL HA H 58 4.652 4.363 0.289 1
1 734 . 8 1 1 A 58 58 VAL C C 58 175.500 176.132 -0.632 1
1 735 . 8 1 1 A 58 58 VAL CA C 58 62.104 62.275 -0.171 1
1 736 . 8 1 1 A 58 58 VAL CB C 58 34.118 33.198 0.920 1
1 739 . 8 1 1 A 58 58 VAL N N 58 122.666 120.316 2.350 1
1 740 . 8 1 1 A 59 59 ARG H H 59 7.628 7.589 0.039 1
1 741 . 8 1 1 A 59 59 ARG HA H 59 4.667 4.717 -0.050 1
1 748 . 8 1 1 A 59 59 ARG C C 59 175.000 173.585 1.415 1
1 749 . 8 1 1 A 59 59 ARG CA C 59 55.579 54.992 0.587 1
1 750 . 8 1 1 A 59 59 ARG CB C 59 34.890 32.558 2.332 1
1 753 . 8 1 1 A 59 59 ARG N N 59 117.696 118.173 -0.477 1
1 754 . 8 1 1 A 60 60 VAL H H 60 8.647 8.805 -0.158 1
1 755 . 8 1 1 A 60 60 VAL HA H 60 4.405 4.735 -0.330 1
1 763 . 8 1 1 A 60 60 VAL C C 60 173.700 174.602 -0.902 1
1 764 . 8 1 1 A 60 60 VAL CA C 60 63.124 60.543 2.581 1
1 765 . 8 1 1 A 60 60 VAL CB C 60 32.087 33.604 -1.517 1
1 768 . 8 1 1 A 60 60 VAL N N 60 117.604 122.050 -4.446 1
1 769 . 8 1 1 A 61 61 HIS H H 61 8.397 8.982 -0.585 1
1 770 . 8 1 1 A 61 61 HIS HA H 61 4.796 4.964 -0.168 1
1 773 . 8 1 1 A 61 61 HIS C C 61 174.200 175.631 -1.431 1
1 774 . 8 1 1 A 61 61 HIS CA C 61 55.883 54.552 1.331 1
1 775 . 8 1 1 A 61 61 HIS CB C 61 33.995 33.017 0.978 1
1 776 . 8 1 1 A 61 61 HIS N N 61 124.046 126.275 -2.229 1
1 777 . 8 1 1 A 62 62 GLY H H 62 8.619 8.580 0.039 1
1 778 . 8 1 1 A 62 62 GLY HA2 H 62 4.014 3.888 0.126 1
1 779 . 8 1 1 A 62 62 GLY HA3 H 62 3.771 3.895 -0.124 1
1 780 . 8 1 1 A 62 62 GLY C C 62 176.300 174.487 1.813 1
1 781 . 8 1 1 A 62 62 GLY CA C 62 45.006 45.205 -0.199 1
1 782 . 8 1 1 A 62 62 GLY N N 62 114.965 111.965 3.000 1
1 783 . 8 1 1 A 63 63 THR H H 63 8.945 8.287 0.658 1
1 784 . 8 1 1 A 63 63 THR HA H 63 4.533 4.284 0.249 1
1 789 . 8 1 1 A 63 63 THR C C 63 175.200 173.899 1.301 1
1 790 . 8 1 1 A 63 63 THR CA C 63 61.793 62.576 -0.783 1
1 791 . 8 1 1 A 63 63 THR CB C 63 69.548 68.791 0.757 1
1 793 . 8 1 1 A 63 63 THR N N 63 111.112 113.859 -2.747 1
1 794 . 8 1 1 A 64 64 LYS H H 64 9.133 8.782 0.351 1
1 795 . 8 1 1 A 64 64 LYS HA H 64 4.588 4.211 0.377 1
1 802 . 8 1 1 A 64 64 LYS C C 64 175.500 175.410 0.090 1
1 803 . 8 1 1 A 64 64 LYS CA C 64 55.231 58.096 -2.865 1
1 804 . 8 1 1 A 64 64 LYS CB C 64 32.452 32.486 -0.034 1
1 807 . 8 1 1 A 64 64 LYS N N 64 122.500 122.374 0.126 1
1 808 . 8 1 1 A 65 65 GLY H H 65 7.987 8.837 -0.850 1
1 809 . 8 1 1 A 65 65 GLY HA2 H 65 4.500 4.038 0.462 1
1 810 . 8 1 1 A 65 65 GLY HA3 H 65 3.135 4.040 -0.905 1
1 811 . 8 1 1 A 65 65 GLY C C 65 171.300 171.827 -0.527 1
1 812 . 8 1 1 A 65 65 GLY CA C 65 44.920 45.918 -0.998 1
1 813 . 8 1 1 A 65 65 GLY N N 65 106.884 106.002 0.882 1
1 814 . 8 1 1 A 66 66 ALA H H 66 7.671 8.595 -0.924 1
1 815 . 8 1 1 A 66 66 ALA HA H 66 4.911 4.901 0.010 1
1 819 . 8 1 1 A 66 66 ALA C C 66 177.400 175.654 1.746 1
1 820 . 8 1 1 A 66 66 ALA CA C 66 52.232 51.616 0.616 1
1 821 . 8 1 1 A 66 66 ALA CB C 66 18.719 22.777 -4.058 1
1 822 . 8 1 1 A 66 66 ALA N N 66 115.951 125.354 -9.403 1
1 823 . 8 1 1 A 67 67 VAL H H 67 8.951 8.896 0.055 1
1 824 . 8 1 1 A 67 67 VAL HA H 67 4.875 4.751 0.124 1
1 832 . 8 1 1 A 67 67 VAL C C 67 173.400 173.750 -0.350 1
1 833 . 8 1 1 A 67 67 VAL CA C 67 59.368 59.581 -0.213 1
1 834 . 8 1 1 A 67 67 VAL CB C 67 36.262 35.839 0.423 1
1 837 . 8 1 1 A 67 67 VAL N N 67 108.601 114.317 -5.716 1
1 838 . 8 1 1 A 68 68 ARG H H 68 9.043 8.756 0.287 1
1 839 . 8 1 1 A 68 68 ARG HA H 68 5.179 4.839 0.340 1
1 846 . 8 1 1 A 68 68 ARG C C 68 175.000 175.328 -0.328 1
1 847 . 8 1 1 A 68 68 ARG CA C 68 54.632 55.439 -0.807 1
1 848 . 8 1 1 A 68 68 ARG CB C 68 32.597 31.442 1.155 1
1 851 . 8 1 1 A 68 68 ARG N N 68 118.441 124.701 -6.260 1
1 852 . 8 1 1 A 69 69 ALA H H 69 9.561 8.424 1.137 1
1 853 . 8 1 1 A 69 69 ALA HA H 69 5.409 4.976 0.433 1
1 857 . 8 1 1 A 69 69 ALA C C 69 174.400 175.228 -0.828 1
1 858 . 8 1 1 A 69 69 ALA CA C 69 49.830 50.844 -1.014 1
1 859 . 8 1 1 A 69 69 ALA CB C 69 23.932 24.492 -0.560 1
1 860 . 8 1 1 A 69 69 ALA N N 69 126.495 126.475 0.020 1
1 861 . 8 1 1 A 70 70 ARG H H 70 8.692 8.542 0.150 1
1 862 . 8 1 1 A 70 70 ARG HA H 70 5.169 5.193 -0.024 1
1 869 . 8 1 1 A 70 70 ARG C C 70 175.700 174.950 0.750 1
1 870 . 8 1 1 A 70 70 ARG CA C 70 55.090 54.476 0.614 1
1 871 . 8 1 1 A 70 70 ARG CB C 70 33.544 33.006 0.538 1
1 874 . 8 1 1 A 70 70 ARG N N 70 122.321 117.877 4.444 1
1 875 . 8 1 1 A 71 71 PHE H H 71 9.442 9.305 0.137 1
1 876 . 8 1 1 A 71 71 PHE HA H 71 4.859 4.979 -0.120 1
1 879 . 8 1 1 A 71 71 PHE C C 71 175.700 175.794 -0.094 1
1 880 . 8 1 1 A 71 71 PHE CA C 71 57.465 57.005 0.460 1
1 881 . 8 1 1 A 71 71 PHE CB C 71 41.819 39.344 2.475 1
1 882 . 8 1 1 A 71 71 PHE N N 71 128.794 124.701 4.093 1
1 883 . 8 1 1 A 72 72 GLU H H 72 8.968 8.901 0.067 1
1 884 . 8 1 1 A 72 72 GLU HA H 72 4.242 4.354 -0.112 1
1 889 . 8 1 1 A 72 72 GLU C C 72 176.500 178.299 -1.799 1
1 890 . 8 1 1 A 72 72 GLU CA C 72 58.604 58.113 0.491 1
1 891 . 8 1 1 A 72 72 GLU CB C 72 30.263 29.729 0.534 1
1 893 . 8 1 1 A 72 72 GLU N N 72 121.197 125.050 -3.853 1
1 894 . 8 1 1 A 73 73 LYS H H 73 8.123 7.935 0.188 1
1 895 . 8 1 1 A 73 73 LYS HA H 73 4.514 4.183 0.331 1
1 904 . 8 1 1 A 73 73 LYS C C 73 175.300 176.973 -1.673 1
1 905 . 8 1 1 A 73 73 LYS CA C 73 54.839 58.234 -3.395 1
1 906 . 8 1 1 A 73 73 LYS CB C 73 34.555 32.994 1.561 1
1 910 . 8 1 1 A 73 73 LYS N N 73 117.266 118.648 -1.382 1
1 911 . 8 1 1 A 74 74 GLY H H 74 8.138 7.583 0.555 1
1 912 . 8 1 1 A 74 74 GLY HA2 H 74 3.733 4.094 -0.361 1
1 913 . 8 1 1 A 74 74 GLY HA3 H 74 3.734 4.102 -0.368 1
1 914 . 8 1 1 A 74 74 GLY C C 74 173.300 172.649 0.651 1
1 915 . 8 1 1 A 74 74 GLY CA C 74 45.289 44.517 0.772 1
1 916 . 8 1 1 A 74 74 GLY N N 74 105.973 103.942 2.031 1
1 917 . 8 1 1 A 75 75 LEU H H 75 7.924 8.329 -0.405 1
1 918 . 8 1 1 A 75 75 LEU HA H 75 4.337 4.651 -0.314 1
1 928 . 8 1 1 A 75 75 LEU CA C 75 52.387 52.714 -0.327 1
1 929 . 8 1 1 A 75 75 LEU CB C 75 41.391 41.613 -0.222 1
1 933 . 8 1 1 A 75 75 LEU N N 75 122.540 122.456 0.084 1
1 934 . 8 1 1 A 76 76 PRO HA H 76 4.527 4.414 0.113 1
1 941 . 8 1 1 A 76 76 PRO C C 76 176.700 176.636 0.064 1
1 942 . 8 1 1 A 76 76 PRO CA C 76 62.467 65.197 -2.730 1
1 943 . 8 1 1 A 76 76 PRO CB C 76 32.055 31.547 0.508 1
1 946 . 8 1 1 A 77 77 GLY H H 77 8.346 7.414 0.932 1
1 947 . 8 1 1 A 77 77 GLY HA2 H 77 3.912 4.075 -0.163 1
1 948 . 8 1 1 A 77 77 GLY HA3 H 77 3.836 4.076 -0.240 1
1 949 . 8 1 1 A 77 77 GLY C C 77 174.900 174.069 0.831 1
1 950 . 8 1 1 A 77 77 GLY CA C 77 46.447 45.790 0.657 1
1 951 . 8 1 1 A 77 77 GLY N N 77 107.966 104.086 3.880 1
1 952 . 8 1 1 A 78 78 GLN H H 78 8.226 9.014 -0.788 1
1 953 . 8 1 1 A 78 78 GLN HA H 78 4.244 4.051 0.193 1
1 960 . 8 1 1 A 78 78 GLN C C 78 175.500 176.306 -0.806 1
1 961 . 8 1 1 A 78 78 GLN CA C 78 57.091 56.753 0.338 1
1 962 . 8 1 1 A 78 78 GLN CB C 78 28.933 27.135 1.798 1
1 964 . 8 1 1 A 78 78 GLN N N 78 118.286 125.216 -6.930 1
1 966 . 8 1 1 A 79 79 ALA H H 79 7.890 8.185 -0.295 1
1 967 . 8 1 1 A 79 79 ALA HA H 79 4.211 4.454 -0.243 1
1 971 . 8 1 1 A 79 79 ALA C C 79 177.100 177.448 -0.348 1
1 972 . 8 1 1 A 79 79 ALA CA C 79 52.573 51.367 1.206 1
1 973 . 8 1 1 A 79 79 ALA CB C 79 19.067 19.977 -0.910 1
1 974 . 8 1 1 A 79 79 ALA N N 79 122.012 120.430 1.582 1
1 975 . 8 1 1 A 80 80 LEU H H 80 7.340 7.584 -0.244 1
1 976 . 8 1 1 A 80 80 LEU HA H 80 3.548 3.859 -0.311 1
1 986 . 8 1 1 A 80 80 LEU C C 80 178.200 177.467 0.733 1
1 987 . 8 1 1 A 80 80 LEU CA C 80 57.059 56.609 0.450 1
1 988 . 8 1 1 A 80 80 LEU CB C 80 41.010 41.686 -0.676 1
1 992 . 8 1 1 A 80 80 LEU N N 80 117.413 120.543 -3.130 1
1 993 . 8 1 1 A 81 81 GLY H H 81 8.704 8.763 -0.059 1
1 994 . 8 1 1 A 81 81 GLY HA2 H 81 3.477 3.959 -0.482 1
1 995 . 8 1 1 A 81 81 GLY HA3 H 81 4.176 4.005 0.171 1
1 996 . 8 1 1 A 81 81 GLY C C 81 173.200 174.360 -1.160 1
1 997 . 8 1 1 A 81 81 GLY CA C 81 45.500 45.079 0.421 1
1 998 . 8 1 1 A 81 81 GLY N N 81 113.076 114.820 -1.744 1
1 999 . 8 1 1 A 82 82 ASP H H 82 8.092 7.859 0.233 1
1 1000 . 8 1 1 A 82 82 ASP HA H 82 4.711 4.831 -0.120 1
1 1003 . 8 1 1 A 82 82 ASP C C 82 175.400 175.804 -0.404 1
1 1004 . 8 1 1 A 82 82 ASP CA C 82 53.447 54.920 -1.473 1
1 1005 . 8 1 1 A 82 82 ASP CB C 82 42.306 41.667 0.639 1
1 1006 . 8 1 1 A 82 82 ASP N N 82 120.648 121.908 -1.260 1
1 1007 . 8 1 1 A 83 83 TYR H H 83 8.637 8.720 -0.083 1
1 1008 . 8 1 1 A 83 83 TYR HA H 83 5.725 4.570 1.155 1
1 1011 . 8 1 1 A 83 83 TYR C C 83 176.800 175.940 0.860 1
1 1012 . 8 1 1 A 83 83 TYR CA C 83 57.359 58.991 -1.632 1
1 1013 . 8 1 1 A 83 83 TYR CB C 83 40.594 39.084 1.510 1
1 1014 . 8 1 1 A 83 83 TYR N N 83 117.015 121.600 -4.585 1
1 1015 . 8 1 1 A 84 84 VAL H H 84 8.747 8.385 0.362 1
1 1016 . 8 1 1 A 84 84 VAL HA H 84 5.006 4.950 0.056 1
1 1024 . 8 1 1 A 84 84 VAL C C 84 175.200 174.921 0.279 1
1 1025 . 8 1 1 A 84 84 VAL CA C 84 58.855 60.224 -1.369 1
1 1026 . 8 1 1 A 84 84 VAL CB C 84 35.371 33.367 2.004 1
1 1029 . 8 1 1 A 84 84 VAL N N 84 111.283 119.182 -7.899 1
1 1030 . 8 1 1 A 85 85 GLU H H 85 8.384 8.786 -0.402 1
1 1031 . 8 1 1 A 85 85 GLU HA H 85 5.129 5.383 -0.254 1
1 1036 . 8 1 1 A 85 85 GLU C C 85 174.900 175.036 -0.136 1
1 1037 . 8 1 1 A 85 85 GLU CA C 85 55.209 54.833 0.376 1
1 1038 . 8 1 1 A 85 85 GLU CB C 85 33.531 34.201 -0.670 1
1 1040 . 8 1 1 A 85 85 GLU N N 85 118.476 120.890 -2.414 1
1 1041 . 8 1 1 A 86 86 ILE H H 86 9.344 8.998 0.346 1
1 1042 . 8 1 1 A 86 86 ILE HA H 86 4.951 4.484 0.467 1
1 1052 . 8 1 1 A 86 86 ILE C C 86 176.000 174.930 1.070 1
1 1053 . 8 1 1 A 86 86 ILE CA C 86 60.535 60.912 -0.377 1
1 1054 . 8 1 1 A 86 86 ILE CB C 86 39.154 36.985 2.169 1
1 1058 . 8 1 1 A 86 86 ILE N N 86 124.495 122.540 1.955 1
1 1 . 9 1 1 A 2 2 ARG HA H 2 5.159 4.802 0.357 1
1 8 . 9 1 1 A 2 2 ARG C C 2 175.500 175.101 0.399 1
1 9 . 9 1 1 A 2 2 ARG CA C 2 55.183 54.995 0.188 1
1 10 . 9 1 1 A 2 2 ARG CB C 2 32.737 32.838 -0.101 1
1 13 . 9 1 1 A 3 3 ILE H H 3 8.800 8.436 0.364 1
1 14 . 9 1 1 A 3 3 ILE HA H 3 4.674 4.934 -0.260 1
1 24 . 9 1 1 A 3 3 ILE C C 3 175.000 174.150 0.850 1
1 25 . 9 1 1 A 3 3 ILE CA C 3 60.050 59.686 0.364 1
1 26 . 9 1 1 A 3 3 ILE CB C 3 41.249 42.864 -1.615 1
1 30 . 9 1 1 A 3 3 ILE N N 3 119.700 119.896 -0.196 1
1 31 . 9 1 1 A 4 4 LYS H H 4 8.864 8.939 -0.075 1
1 32 . 9 1 1 A 4 4 LYS HA H 4 5.180 5.416 -0.236 1
1 41 . 9 1 1 A 4 4 LYS C C 4 176.800 175.252 1.548 1
1 42 . 9 1 1 A 4 4 LYS CA C 4 55.798 55.103 0.695 1
1 43 . 9 1 1 A 4 4 LYS CB C 4 35.471 34.870 0.601 1
1 47 . 9 1 1 A 4 4 LYS N N 4 123.785 120.943 2.842 1
1 48 . 9 1 1 A 5 5 GLY H H 5 8.662 8.949 -0.287 1
1 49 . 9 1 1 A 5 5 GLY HA2 H 5 3.122 4.231 -1.109 1
1 50 . 9 1 1 A 5 5 GLY HA3 H 5 5.139 4.236 0.903 1
1 51 . 9 1 1 A 5 5 GLY C C 5 170.800 172.256 -1.456 1
1 52 . 9 1 1 A 5 5 GLY CA C 5 44.967 44.211 0.756 1
1 53 . 9 1 1 A 5 5 GLY N N 5 107.023 109.758 -2.735 1
1 54 . 9 1 1 A 6 6 VAL H H 6 8.168 8.685 -0.517 1
1 55 . 9 1 1 A 6 6 VAL HA H 6 4.936 4.472 0.464 1
1 63 . 9 1 1 A 6 6 VAL C C 6 175.100 174.046 1.054 1
1 64 . 9 1 1 A 6 6 VAL CA C 6 60.066 59.428 0.638 1
1 65 . 9 1 1 A 6 6 VAL CB C 6 35.501 35.341 0.160 1
1 68 . 9 1 1 A 6 6 VAL N N 6 118.930 118.642 0.288 1
1 69 . 9 1 1 A 7 7 VAL H H 7 8.663 8.776 -0.113 1
1 70 . 9 1 1 A 7 7 VAL HA H 7 3.771 4.160 -0.389 1
1 78 . 9 1 1 A 7 7 VAL C C 7 176.020 175.424 0.596 1
1 79 . 9 1 1 A 7 7 VAL CA C 7 63.861 62.990 0.871 1
1 80 . 9 1 1 A 7 7 VAL CB C 7 31.549 31.893 -0.344 1
1 83 . 9 1 1 A 7 7 VAL N N 7 126.733 128.333 -1.600 1
1 84 . 9 1 1 A 8 8 LEU H H 8 9.077 8.755 0.322 1
1 85 . 9 1 1 A 8 8 LEU HA H 8 4.396 4.350 0.046 1
1 95 . 9 1 1 A 8 8 LEU C C 8 177.000 176.541 0.459 1
1 96 . 9 1 1 A 8 8 LEU CA C 8 55.871 56.010 -0.139 1
1 97 . 9 1 1 A 8 8 LEU CB C 8 43.337 42.596 0.741 1
1 101 . 9 1 1 A 8 8 LEU N N 8 128.947 128.274 0.673 1
1 102 . 9 1 1 A 9 9 SER H H 9 7.409 7.741 -0.332 1
1 103 . 9 1 1 A 9 9 SER HA H 9 4.347 4.949 -0.602 1
1 106 . 9 1 1 A 9 9 SER C C 9 172.900 172.412 0.488 1
1 107 . 9 1 1 A 9 9 SER CA C 9 57.866 57.929 -0.063 1
1 108 . 9 1 1 A 9 9 SER CB C 9 64.173 66.956 -2.783 1
1 109 . 9 1 1 A 9 9 SER N N 9 108.469 110.840 -2.371 1
1 110 . 9 1 1 A 10 10 TYR H H 10 8.464 9.030 -0.566 1
1 111 . 9 1 1 A 10 10 TYR HA H 10 5.064 5.460 -0.396 1
1 114 . 9 1 1 A 10 10 TYR C C 10 175.400 175.030 0.370 1
1 115 . 9 1 1 A 10 10 TYR CA C 10 57.258 55.787 1.471 1
1 116 . 9 1 1 A 10 10 TYR CB C 10 40.325 40.585 -0.260 1
1 117 . 9 1 1 A 10 10 TYR N N 10 121.190 120.647 0.543 1
1 118 . 9 1 1 A 11 11 ARG H H 11 8.545 8.734 -0.189 1
1 119 . 9 1 1 A 11 11 ARG HA H 11 4.441 4.387 0.054 1
1 126 . 9 1 1 A 11 11 ARG C C 11 174.800 176.274 -1.474 1
1 127 . 9 1 1 A 11 11 ARG CA C 11 55.308 55.661 -0.353 1
1 128 . 9 1 1 A 11 11 ARG CB C 11 31.551 30.717 0.834 1
1 131 . 9 1 1 A 11 11 ARG N N 11 124.044 122.002 2.042 1
1 132 . 9 1 1 A 12 12 ARG H H 12 8.562 8.283 0.279 1
1 133 . 9 1 1 A 12 12 ARG HA H 12 4.577 4.378 0.199 1
1 140 . 9 1 1 A 12 12 ARG C C 12 176.100 176.260 -0.160 1
1 141 . 9 1 1 A 12 12 ARG CA C 12 55.803 55.811 -0.008 1
1 142 . 9 1 1 A 12 12 ARG CB C 12 31.265 29.255 2.010 1
1 145 . 9 1 1 A 12 12 ARG N N 12 124.990 122.619 2.371 1
1 146 . 9 1 1 A 13 13 SER H H 13 8.485 7.491 0.994 1
1 147 . 9 1 1 A 13 13 SER HA H 13 4.542 4.254 0.288 1
1 150 . 9 1 1 A 13 13 SER C C 13 175.000 174.243 0.757 1
1 151 . 9 1 1 A 13 13 SER CA C 13 57.790 59.361 -1.571 1
1 152 . 9 1 1 A 13 13 SER CB C 13 64.666 63.706 0.960 1
1 153 . 9 1 1 A 13 13 SER N N 13 118.058 117.279 0.779 1
1 154 . 9 1 1 A 14 14 LYS H H 14 8.663 8.768 -0.105 1
1 155 . 9 1 1 A 14 14 LYS HA H 14 4.178 4.534 -0.356 1
1 164 . 9 1 1 A 14 14 LYS C C 14 177.400 176.404 0.996 1
1 165 . 9 1 1 A 14 14 LYS CA C 14 57.997 57.636 0.361 1
1 166 . 9 1 1 A 14 14 LYS CB C 14 32.686 35.536 -2.850 1
1 170 . 9 1 1 A 14 14 LYS N N 14 123.187 125.391 -2.204 1
1 171 . 9 1 1 A 15 15 GLU H H 15 8.525 7.785 0.740 1
1 172 . 9 1 1 A 15 15 GLU HA H 15 4.217 4.292 -0.075 1
1 177 . 9 1 1 A 15 15 GLU C C 15 176.300 176.838 -0.538 1
1 178 . 9 1 1 A 15 15 GLU CA C 15 57.504 57.362 0.142 1
1 179 . 9 1 1 A 15 15 GLU CB C 15 29.654 29.906 -0.252 1
1 181 . 9 1 1 A 15 15 GLU N N 15 118.364 119.794 -1.430 1
1 182 . 9 1 1 A 16 16 ASN H H 16 7.985 9.306 -1.321 1
1 183 . 9 1 1 A 16 16 ASN HA H 16 4.690 4.349 0.341 1
1 188 . 9 1 1 A 16 16 ASN C C 16 175.100 175.146 -0.046 1
1 189 . 9 1 1 A 16 16 ASN CA C 16 53.363 54.842 -1.479 1
1 190 . 9 1 1 A 16 16 ASN CB C 16 39.022 37.191 1.831 1
1 191 . 9 1 1 A 16 16 ASN N N 16 117.467 118.018 -0.551 1
1 193 . 9 1 1 A 17 17 GLN H H 17 8.384 8.396 -0.012 1
1 194 . 9 1 1 A 17 17 GLN HA H 17 4.256 4.135 0.121 1
1 201 . 9 1 1 A 17 17 GLN C C 17 175.800 174.771 1.029 1
1 202 . 9 1 1 A 17 17 GLN CA C 17 56.678 56.726 -0.048 1
1 203 . 9 1 1 A 17 17 GLN CB C 17 29.071 27.742 1.329 1
1 205 . 9 1 1 A 17 17 GLN N N 17 119.788 117.960 1.828 1
1 207 . 9 1 1 A 18 18 HIS H H 18 8.209 8.548 -0.339 1
1 208 . 9 1 1 A 18 18 HIS HA H 18 4.683 4.713 -0.030 1
1 211 . 9 1 1 A 18 18 HIS C C 18 175.080 174.734 0.346 1
1 212 . 9 1 1 A 18 18 HIS CA C 18 55.839 55.550 0.289 1
1 213 . 9 1 1 A 18 18 HIS CB C 18 30.460 32.524 -2.064 1
1 214 . 9 1 1 A 18 18 HIS N N 18 117.984 126.223 -8.239 1
1 215 . 9 1 1 A 19 19 ASN H H 19 8.430 8.263 0.167 1
1 216 . 9 1 1 A 19 19 ASN HA H 19 4.813 4.753 0.060 1
1 221 . 9 1 1 A 19 19 ASN C C 19 174.300 174.356 -0.056 1
1 222 . 9 1 1 A 19 19 ASN CA C 19 53.172 53.691 -0.519 1
1 223 . 9 1 1 A 19 19 ASN CB C 19 38.503 38.050 0.453 1
1 224 . 9 1 1 A 19 19 ASN N N 19 122.300 117.417 4.883 1
1 226 . 9 1 1 A 20 20 ASN H H 20 8.353 8.538 -0.185 1
1 227 . 9 1 1 A 20 20 ASN HA H 20 4.828 5.100 -0.272 1
1 232 . 9 1 1 A 20 20 ASN C C 20 174.000 175.403 -1.403 1
1 233 . 9 1 1 A 20 20 ASN CA C 20 53.292 53.205 0.087 1
1 234 . 9 1 1 A 20 20 ASN CB C 20 38.896 38.929 -0.033 1
1 235 . 9 1 1 A 20 20 ASN N N 20 117.387 120.052 -2.665 1
1 237 . 9 1 1 A 21 21 VAL H H 21 8.285 8.531 -0.246 1
1 238 . 9 1 1 A 21 21 VAL HA H 21 5.090 4.794 0.296 1
1 246 . 9 1 1 A 21 21 VAL C C 21 174.900 175.140 -0.240 1
1 247 . 9 1 1 A 21 21 VAL CA C 21 61.409 60.679 0.730 1
1 248 . 9 1 1 A 21 21 VAL CB C 21 33.979 33.125 0.854 1
1 251 . 9 1 1 A 21 21 VAL N N 21 120.718 123.551 -2.833 1
1 252 . 9 1 1 A 22 22 MET H H 22 9.083 8.650 0.433 1
1 253 . 9 1 1 A 22 22 MET HA H 22 5.073 5.041 0.032 1
1 258 . 9 1 1 A 22 22 MET C C 22 174.600 174.705 -0.105 1
1 259 . 9 1 1 A 22 22 MET CA C 22 53.096 54.541 -1.445 1
1 260 . 9 1 1 A 22 22 MET CB C 22 36.612 35.897 0.715 1
1 262 . 9 1 1 A 22 22 MET N N 22 123.693 122.960 0.733 1
1 263 . 9 1 1 A 23 23 ILE H H 23 8.761 8.711 0.050 1
1 264 . 9 1 1 A 23 23 ILE HA H 23 4.738 4.624 0.114 1
1 274 . 9 1 1 A 23 23 ILE C C 23 175.500 175.552 -0.052 1
1 275 . 9 1 1 A 23 23 ILE CA C 23 59.230 61.390 -2.160 1
1 276 . 9 1 1 A 23 23 ILE CB C 23 36.022 38.276 -2.254 1
1 280 . 9 1 1 A 23 23 ILE N N 23 123.898 126.389 -2.491 1
1 281 . 9 1 1 A 24 24 ILE H H 24 9.048 8.772 0.276 1
1 282 . 9 1 1 A 24 24 ILE HA H 24 4.881 4.857 0.024 1
1 292 . 9 1 1 A 24 24 ILE C C 24 174.200 174.835 -0.635 1
1 293 . 9 1 1 A 24 24 ILE CA C 24 58.256 59.518 -1.262 1
1 294 . 9 1 1 A 24 24 ILE CB C 24 42.799 42.744 0.055 1
1 298 . 9 1 1 A 24 24 ILE N N 24 126.877 128.134 -1.257 1
1 299 . 9 1 1 A 25 25 LYS H H 25 9.205 8.656 0.549 1
1 300 . 9 1 1 A 25 25 LYS HA H 25 5.109 4.811 0.298 1
1 305 . 9 1 1 A 25 25 LYS CA C 25 50.908 52.873 -1.965 1
1 306 . 9 1 1 A 25 25 LYS CB C 25 34.893 36.081 -1.188 1
1 307 . 9 1 1 A 25 25 LYS N N 25 127.192 126.130 1.062 1
1 308 . 9 1 1 A 26 26 PRO HA H 26 4.823 4.646 0.177 1
1 315 . 9 1 1 A 26 26 PRO C C 26 177.300 177.259 0.041 1
1 316 . 9 1 1 A 26 26 PRO CA C 26 61.185 62.607 -1.422 1
1 317 . 9 1 1 A 26 26 PRO CB C 26 30.625 29.589 1.036 1
1 320 . 9 1 1 A 27 27 LEU H H 27 8.861 8.969 -0.108 1
1 321 . 9 1 1 A 27 27 LEU HA H 27 4.101 4.213 -0.112 1
1 331 . 9 1 1 A 27 27 LEU C C 27 177.800 176.420 1.380 1
1 332 . 9 1 1 A 27 27 LEU CA C 27 57.590 57.347 0.243 1
1 333 . 9 1 1 A 27 27 LEU CB C 27 40.721 41.838 -1.117 1
1 337 . 9 1 1 A 27 27 LEU N N 27 127.814 120.902 6.912 1
1 338 . 9 1 1 A 28 28 ASP H H 28 8.818 8.451 0.367 1
1 339 . 9 1 1 A 28 28 ASP HA H 28 4.477 4.706 -0.229 1
1 342 . 9 1 1 A 28 28 ASP C C 28 174.500 176.803 -2.303 1
1 343 . 9 1 1 A 28 28 ASP CA C 28 55.417 55.097 0.320 1
1 344 . 9 1 1 A 28 28 ASP CB C 28 40.527 41.551 -1.024 1
1 345 . 9 1 1 A 28 28 ASP N N 28 114.920 116.910 -1.990 1
1 346 . 9 1 1 A 29 29 VAL H H 29 7.004 7.936 -0.932 1
1 347 . 9 1 1 A 29 29 VAL HA H 29 4.164 3.746 0.418 1
1 355 . 9 1 1 A 29 29 VAL C C 29 175.600 175.914 -0.314 1
1 356 . 9 1 1 A 29 29 VAL CA C 29 62.553 63.014 -0.461 1
1 357 . 9 1 1 A 29 29 VAL CB C 29 32.711 29.858 2.853 1
1 360 . 9 1 1 A 29 29 VAL N N 29 119.689 116.994 2.695 1
1 361 . 9 1 1 A 30 30 ASN H H 30 8.802 8.417 0.385 1
1 362 . 9 1 1 A 30 30 ASN HA H 30 5.409 5.084 0.325 1
1 367 . 9 1 1 A 30 30 ASN C C 30 173.400 174.457 -1.057 1
1 368 . 9 1 1 A 30 30 ASN CA C 30 53.262 53.193 0.069 1
1 369 . 9 1 1 A 30 30 ASN CB C 30 41.186 37.877 3.309 1
1 370 . 9 1 1 A 30 30 ASN N N 30 122.479 118.506 3.973 1
1 372 . 9 1 1 A 31 31 SER H H 31 7.329 7.380 -0.051 1
1 373 . 9 1 1 A 31 31 SER HA H 31 4.878 4.793 0.085 1
1 376 . 9 1 1 A 31 31 SER C C 31 173.700 174.426 -0.726 1
1 377 . 9 1 1 A 31 31 SER CA C 31 56.428 57.687 -1.259 1
1 378 . 9 1 1 A 31 31 SER CB C 31 67.086 65.368 1.718 1
1 379 . 9 1 1 A 31 31 SER N N 31 109.583 114.735 -5.152 1
1 380 . 9 1 1 A 32 32 ARG H H 32 8.688 8.702 -0.014 1
1 381 . 9 1 1 A 32 32 ARG HA H 32 4.229 3.904 0.325 1
1 388 . 9 1 1 A 32 32 ARG C C 32 178.300 177.826 0.474 1
1 389 . 9 1 1 A 32 32 ARG CA C 32 58.914 59.419 -0.505 1
1 390 . 9 1 1 A 32 32 ARG CB C 32 30.785 29.935 0.850 1
1 393 . 9 1 1 A 32 32 ARG N N 32 123.538 127.971 -4.433 1
1 394 . 9 1 1 A 33 33 GLU H H 33 9.157 8.480 0.677 1
1 395 . 9 1 1 A 33 33 GLU HA H 33 4.012 4.106 -0.094 1
1 400 . 9 1 1 A 33 33 GLU C C 33 179.900 179.126 0.774 1
1 401 . 9 1 1 A 33 33 GLU CA C 33 60.615 59.106 1.509 1
1 402 . 9 1 1 A 33 33 GLU CB C 33 28.895 29.153 -0.258 1
1 404 . 9 1 1 A 33 33 GLU N N 33 120.517 118.895 1.622 1
1 405 . 9 1 1 A 34 34 GLU H H 34 7.623 8.031 -0.408 1
1 406 . 9 1 1 A 34 34 GLU HA H 34 4.096 4.005 0.091 1
1 411 . 9 1 1 A 34 34 GLU C C 34 179.100 179.094 0.006 1
1 412 . 9 1 1 A 34 34 GLU CA C 34 58.647 59.331 -0.684 1
1 413 . 9 1 1 A 34 34 GLU CB C 34 30.874 29.616 1.258 1
1 415 . 9 1 1 A 34 34 GLU N N 34 118.275 120.204 -1.929 1
1 416 . 9 1 1 A 35 35 ALA H H 35 8.131 8.784 -0.653 1
1 417 . 9 1 1 A 35 35 ALA HA H 35 3.828 4.116 -0.288 1
1 421 . 9 1 1 A 35 35 ALA C C 35 179.800 180.122 -0.322 1
1 422 . 9 1 1 A 35 35 ALA CA C 35 55.337 55.258 0.079 1
1 423 . 9 1 1 A 35 35 ALA CB C 35 18.361 18.577 -0.216 1
1 424 . 9 1 1 A 35 35 ALA N N 35 123.551 123.388 0.163 1
1 425 . 9 1 1 A 36 36 SER H H 36 8.279 8.592 -0.313 1
1 426 . 9 1 1 A 36 36 SER HA H 36 3.875 4.178 -0.303 1
1 429 . 9 1 1 A 36 36 SER C C 36 176.100 176.084 0.016 1
1 430 . 9 1 1 A 36 36 SER CA C 36 61.573 61.569 0.004 1
1 431 . 9 1 1 A 36 36 SER CB C 36 63.126 62.947 0.179 1
1 432 . 9 1 1 A 36 36 SER N N 36 112.905 114.250 -1.345 1
1 433 . 9 1 1 A 37 37 LYS H H 37 7.120 7.460 -0.340 1
1 434 . 9 1 1 A 37 37 LYS HA H 37 4.203 4.076 0.127 1
1 443 . 9 1 1 A 37 37 LYS C C 37 177.100 179.209 -2.109 1
1 444 . 9 1 1 A 37 37 LYS CA C 37 57.553 59.799 -2.246 1
1 445 . 9 1 1 A 37 37 LYS CB C 37 32.178 32.340 -0.162 1
1 449 . 9 1 1 A 37 37 LYS N N 37 119.081 121.292 -2.211 1
1 450 . 9 1 1 A 38 38 LEU H H 38 7.877 7.641 0.236 1
1 451 . 9 1 1 A 38 38 LEU HA H 38 4.138 4.261 -0.123 1
1 461 . 9 1 1 A 38 38 LEU C C 38 176.400 178.299 -1.899 1
1 462 . 9 1 1 A 38 38 LEU CA C 38 54.225 55.297 -1.072 1
1 463 . 9 1 1 A 38 38 LEU CB C 38 42.192 41.124 1.068 1
1 467 . 9 1 1 A 38 38 LEU N N 38 115.729 117.124 -1.395 1
1 468 . 9 1 1 A 39 39 ILE H H 39 6.958 7.761 -0.803 1
1 469 . 9 1 1 A 39 39 ILE HA H 39 3.252 3.874 -0.622 1
1 479 . 9 1 1 A 39 39 ILE C C 39 177.100 177.486 -0.386 1
1 480 . 9 1 1 A 39 39 ILE CA C 39 63.952 64.781 -0.829 1
1 481 . 9 1 1 A 39 39 ILE CB C 39 36.338 37.649 -1.311 1
1 485 . 9 1 1 A 39 39 ILE N N 39 118.446 120.975 -2.529 1
1 486 . 9 1 1 A 40 40 GLY H H 40 8.877 7.958 0.919 1
1 487 . 9 1 1 A 40 40 GLY HA2 H 40 4.518 3.952 0.566 1
1 488 . 9 1 1 A 40 40 GLY HA3 H 40 3.611 3.954 -0.343 1
1 489 . 9 1 1 A 40 40 GLY C C 40 174.600 173.501 1.099 1
1 490 . 9 1 1 A 40 40 GLY CA C 40 44.763 45.193 -0.430 1
1 491 . 9 1 1 A 40 40 GLY N N 40 115.966 108.324 7.642 1
1 492 . 9 1 1 A 41 41 ARG H H 41 7.939 8.123 -0.184 1
1 493 . 9 1 1 A 41 41 ARG HA H 41 4.481 4.359 0.122 1
1 500 . 9 1 1 A 41 41 ARG C C 41 175.000 175.562 -0.562 1
1 501 . 9 1 1 A 41 41 ARG CA C 41 56.298 55.893 0.405 1
1 502 . 9 1 1 A 41 41 ARG CB C 41 30.619 30.852 -0.233 1
1 505 . 9 1 1 A 41 41 ARG N N 41 118.629 122.352 -3.723 1
1 506 . 9 1 1 A 42 42 LEU H H 42 8.400 8.581 -0.181 1
1 507 . 9 1 1 A 42 42 LEU HA H 42 4.773 4.828 -0.055 1
1 517 . 9 1 1 A 42 42 LEU C C 42 175.200 175.652 -0.452 1
1 518 . 9 1 1 A 42 42 LEU CA C 42 54.561 53.826 0.735 1
1 519 . 9 1 1 A 42 42 LEU CB C 42 44.111 43.467 0.644 1
1 523 . 9 1 1 A 42 42 LEU N N 42 121.347 128.039 -6.692 1
1 524 . 9 1 1 A 43 43 VAL H H 43 8.189 8.664 -0.475 1
1 525 . 9 1 1 A 43 43 VAL HA H 43 5.045 4.698 0.347 1
1 533 . 9 1 1 A 43 43 VAL C C 43 173.800 174.706 -0.906 1
1 534 . 9 1 1 A 43 43 VAL CA C 43 59.401 61.532 -2.131 1
1 535 . 9 1 1 A 43 43 VAL CB C 43 34.438 32.986 1.452 1
1 538 . 9 1 1 A 43 43 VAL N N 43 120.875 123.452 -2.577 1
1 539 . 9 1 1 A 44 44 LEU H H 44 9.320 8.894 0.426 1
1 540 . 9 1 1 A 44 44 LEU HA H 44 5.371 5.124 0.247 1
1 550 . 9 1 1 A 44 44 LEU C C 44 176.600 175.323 1.277 1
1 551 . 9 1 1 A 44 44 LEU CA C 44 53.600 53.447 0.153 1
1 552 . 9 1 1 A 44 44 LEU CB C 44 44.381 43.239 1.142 1
1 556 . 9 1 1 A 44 44 LEU N N 44 124.820 127.854 -3.034 1
1 557 . 9 1 1 A 45 45 TRP H H 45 9.251 8.980 0.271 1
1 558 . 9 1 1 A 45 45 TRP HA H 45 5.023 4.932 0.091 1
1 561 . 9 1 1 A 45 45 TRP C C 45 173.100 175.033 -1.933 1
1 562 . 9 1 1 A 45 45 TRP CA C 45 57.182 56.172 1.010 1
1 563 . 9 1 1 A 45 45 TRP CB C 45 31.353 30.273 1.080 1
1 564 . 9 1 1 A 45 45 TRP N N 45 125.368 129.377 -4.009 1
1 565 . 9 1 1 A 46 46 LYS H H 46 8.064 8.497 -0.433 1
1 566 . 9 1 1 A 46 46 LYS HA H 46 4.314 4.469 -0.155 1
1 575 . 9 1 1 A 46 46 LYS C C 46 173.800 175.501 -1.701 1
1 576 . 9 1 1 A 46 46 LYS CA C 46 55.132 55.447 -0.315 1
1 577 . 9 1 1 A 46 46 LYS CB C 46 32.714 32.365 0.349 1
1 580 . 9 1 1 A 46 46 LYS N N 46 129.540 129.810 -0.270 1
1 581 . 9 1 1 A 47 47 SER H H 47 8.208 8.262 -0.054 1
1 582 . 9 1 1 A 47 47 SER HA H 47 3.245 3.924 -0.679 1
1 585 . 9 1 1 A 47 47 SER CA C 47 56.564 56.501 0.063 1
1 586 . 9 1 1 A 47 47 SER CB C 47 63.584 63.486 0.098 1
1 587 . 9 1 1 A 47 47 SER N N 47 124.549 119.711 4.838 1
1 588 . 9 1 1 A 48 48 PRO HA H 48 4.286 4.428 -0.142 1
1 595 . 9 1 1 A 48 48 PRO C C 48 177.500 177.924 -0.424 1
1 596 . 9 1 1 A 48 48 PRO CA C 48 65.461 64.439 1.022 1
1 597 . 9 1 1 A 48 48 PRO CB C 48 31.723 32.046 -0.323 1
1 600 . 9 1 1 A 49 49 SER H H 49 7.754 7.850 -0.096 1
1 601 . 9 1 1 A 49 49 SER HA H 49 4.414 4.514 -0.100 1
1 604 . 9 1 1 A 49 49 SER C C 49 175.200 174.677 0.523 1
1 605 . 9 1 1 A 49 49 SER CA C 49 58.552 58.621 -0.069 1
1 606 . 9 1 1 A 49 49 SER CB C 49 63.820 63.532 0.288 1
1 607 . 9 1 1 A 49 49 SER N N 49 109.700 112.274 -2.574 1
1 608 . 9 1 1 A 50 50 GLY H H 50 8.194 8.114 0.080 1
1 609 . 9 1 1 A 50 50 GLY HA2 H 50 3.314 3.894 -0.580 1
1 610 . 9 1 1 A 50 50 GLY HA3 H 50 4.354 3.911 0.443 1
1 611 . 9 1 1 A 50 50 GLY C C 50 173.700 174.027 -0.327 1
1 612 . 9 1 1 A 50 50 GLY CA C 50 45.031 45.154 -0.123 1
1 613 . 9 1 1 A 50 50 GLY N N 50 111.568 109.800 1.768 1
1 614 . 9 1 1 A 51 51 LYS H H 51 7.246 7.616 -0.370 1
1 615 . 9 1 1 A 51 51 LYS HA H 51 4.246 4.454 -0.208 1
1 624 . 9 1 1 A 51 51 LYS C C 51 175.900 175.470 0.430 1
1 625 . 9 1 1 A 51 51 LYS CA C 51 55.948 55.842 0.106 1
1 626 . 9 1 1 A 51 51 LYS CB C 51 32.893 32.607 0.286 1
1 630 . 9 1 1 A 51 51 LYS N N 51 120.424 121.834 -1.410 1
1 631 . 9 1 1 A 52 52 ILE H H 52 8.718 8.647 0.071 1
1 632 . 9 1 1 A 52 52 ILE HA H 52 4.670 4.594 0.076 1
1 642 . 9 1 1 A 52 52 ILE C C 52 176.100 175.677 0.423 1
1 643 . 9 1 1 A 52 52 ILE CA C 52 60.261 60.531 -0.270 1
1 644 . 9 1 1 A 52 52 ILE CB C 52 38.268 37.412 0.856 1
1 648 . 9 1 1 A 52 52 ILE N N 52 125.588 128.322 -2.734 1
1 649 . 9 1 1 A 53 53 LEU H H 53 9.558 9.078 0.480 1
1 650 . 9 1 1 A 53 53 LEU HA H 53 4.930 4.885 0.045 1
1 660 . 9 1 1 A 53 53 LEU C C 53 175.800 176.139 -0.339 1
1 661 . 9 1 1 A 53 53 LEU CA C 53 54.305 54.070 0.235 1
1 662 . 9 1 1 A 53 53 LEU CB C 53 44.080 42.770 1.310 1
1 666 . 9 1 1 A 53 53 LEU N N 53 131.583 129.464 2.119 1
1 667 . 9 1 1 A 54 54 LYS H H 54 8.746 8.629 0.117 1
1 668 . 9 1 1 A 54 54 LYS HA H 54 5.463 4.711 0.752 1
1 677 . 9 1 1 A 54 54 LYS C C 54 176.200 176.495 -0.295 1
1 678 . 9 1 1 A 54 54 LYS CA C 54 55.474 55.289 0.185 1
1 679 . 9 1 1 A 54 54 LYS CB C 54 35.349 33.006 2.343 1
1 683 . 9 1 1 A 54 54 LYS N N 54 120.463 125.255 -4.792 1
1 684 . 9 1 1 A 55 55 GLY H H 55 9.217 9.283 -0.066 1
1 685 . 9 1 1 A 55 55 GLY HA2 H 55 4.347 3.618 0.729 1
1 686 . 9 1 1 A 55 55 GLY HA3 H 55 1.960 3.767 -1.807 1
1 687 . 9 1 1 A 55 55 GLY C C 55 172.400 172.044 0.356 1
1 688 . 9 1 1 A 55 55 GLY CA C 55 43.890 44.066 -0.176 1
1 689 . 9 1 1 A 55 55 GLY N N 55 114.284 112.879 1.405 1
1 690 . 9 1 1 A 56 56 LYS H H 56 8.015 8.094 -0.079 1
1 691 . 9 1 1 A 56 56 LYS HA H 56 5.145 4.811 0.334 1
1 700 . 9 1 1 A 56 56 LYS C C 56 176.000 174.635 1.365 1
1 701 . 9 1 1 A 56 56 LYS CA C 56 54.614 55.380 -0.766 1
1 702 . 9 1 1 A 56 56 LYS CB C 56 36.639 36.411 0.228 1
1 706 . 9 1 1 A 56 56 LYS N N 56 118.868 119.595 -0.727 1
1 707 . 9 1 1 A 57 57 ILE H H 57 8.693 8.276 0.417 1
1 708 . 9 1 1 A 57 57 ILE HA H 57 4.149 4.308 -0.159 1
1 718 . 9 1 1 A 57 57 ILE C C 57 177.200 177.072 0.128 1
1 719 . 9 1 1 A 57 57 ILE CA C 57 62.915 61.361 1.554 1
1 720 . 9 1 1 A 57 57 ILE CB C 57 36.286 37.991 -1.705 1
1 724 . 9 1 1 A 57 57 ILE N N 57 124.413 127.438 -3.025 1
1 725 . 9 1 1 A 58 58 VAL H H 58 8.931 8.762 0.169 1
1 726 . 9 1 1 A 58 58 VAL HA H 58 4.652 4.369 0.283 1
1 734 . 9 1 1 A 58 58 VAL C C 58 175.500 176.169 -0.669 1
1 735 . 9 1 1 A 58 58 VAL CA C 58 62.104 62.296 -0.192 1
1 736 . 9 1 1 A 58 58 VAL CB C 58 34.118 33.216 0.902 1
1 739 . 9 1 1 A 58 58 VAL N N 58 122.666 120.172 2.494 1
1 740 . 9 1 1 A 59 59 ARG H H 59 7.628 7.615 0.013 1
1 741 . 9 1 1 A 59 59 ARG HA H 59 4.667 4.700 -0.033 1
1 748 . 9 1 1 A 59 59 ARG C C 59 175.000 173.504 1.496 1
1 749 . 9 1 1 A 59 59 ARG CA C 59 55.579 54.972 0.607 1
1 750 . 9 1 1 A 59 59 ARG CB C 59 34.890 32.702 2.188 1
1 753 . 9 1 1 A 59 59 ARG N N 59 117.696 118.178 -0.482 1
1 754 . 9 1 1 A 60 60 VAL H H 60 8.647 8.656 -0.009 1
1 755 . 9 1 1 A 60 60 VAL HA H 60 4.405 4.756 -0.351 1
1 763 . 9 1 1 A 60 60 VAL C C 60 173.700 174.598 -0.898 1
1 764 . 9 1 1 A 60 60 VAL CA C 60 63.124 60.404 2.720 1
1 765 . 9 1 1 A 60 60 VAL CB C 60 32.087 33.938 -1.851 1
1 768 . 9 1 1 A 60 60 VAL N N 60 117.604 122.125 -4.521 1
1 769 . 9 1 1 A 61 61 HIS H H 61 8.397 9.028 -0.631 1
1 770 . 9 1 1 A 61 61 HIS HA H 61 4.796 5.049 -0.253 1
1 773 . 9 1 1 A 61 61 HIS C C 61 174.200 174.416 -0.216 1
1 774 . 9 1 1 A 61 61 HIS CA C 61 55.883 54.477 1.406 1
1 775 . 9 1 1 A 61 61 HIS CB C 61 33.995 32.900 1.095 1
1 776 . 9 1 1 A 61 61 HIS N N 61 124.046 127.335 -3.289 1
1 777 . 9 1 1 A 62 62 GLY H H 62 8.619 7.296 1.323 1
1 778 . 9 1 1 A 62 62 GLY HA2 H 62 4.014 3.642 0.372 1
1 779 . 9 1 1 A 62 62 GLY HA3 H 62 3.771 3.829 -0.058 1
1 780 . 9 1 1 A 62 62 GLY C C 62 176.300 174.718 1.582 1
1 781 . 9 1 1 A 62 62 GLY CA C 62 45.006 45.220 -0.214 1
1 782 . 9 1 1 A 62 62 GLY N N 62 114.965 112.504 2.461 1
1 783 . 9 1 1 A 63 63 THR H H 63 8.945 8.466 0.479 1
1 784 . 9 1 1 A 63 63 THR HA H 63 4.533 4.261 0.272 1
1 789 . 9 1 1 A 63 63 THR C C 63 175.200 174.524 0.676 1
1 790 . 9 1 1 A 63 63 THR CA C 63 61.793 63.795 -2.002 1
1 791 . 9 1 1 A 63 63 THR CB C 63 69.548 67.004 2.544 1
1 793 . 9 1 1 A 63 63 THR N N 63 111.112 114.218 -3.106 1
1 794 . 9 1 1 A 64 64 LYS H H 64 9.133 8.716 0.417 1
1 795 . 9 1 1 A 64 64 LYS HA H 64 4.588 4.223 0.365 1
1 802 . 9 1 1 A 64 64 LYS C C 64 175.500 176.283 -0.783 1
1 803 . 9 1 1 A 64 64 LYS CA C 64 55.231 55.690 -0.459 1
1 804 . 9 1 1 A 64 64 LYS CB C 64 32.452 32.042 0.410 1
1 807 . 9 1 1 A 64 64 LYS N N 64 122.500 117.225 5.275 1
1 808 . 9 1 1 A 65 65 GLY H H 65 7.987 7.396 0.591 1
1 809 . 9 1 1 A 65 65 GLY HA2 H 65 4.500 4.045 0.455 1
1 810 . 9 1 1 A 65 65 GLY HA3 H 65 3.135 4.048 -0.913 1
1 811 . 9 1 1 A 65 65 GLY C C 65 171.300 172.151 -0.851 1
1 812 . 9 1 1 A 65 65 GLY CA C 65 44.920 45.119 -0.199 1
1 813 . 9 1 1 A 65 65 GLY N N 65 106.884 107.919 -1.035 1
1 814 . 9 1 1 A 66 66 ALA H H 66 7.671 8.544 -0.873 1
1 815 . 9 1 1 A 66 66 ALA HA H 66 4.911 5.040 -0.129 1
1 819 . 9 1 1 A 66 66 ALA C C 66 177.400 175.555 1.845 1
1 820 . 9 1 1 A 66 66 ALA CA C 66 52.232 51.597 0.635 1
1 821 . 9 1 1 A 66 66 ALA CB C 66 18.719 22.888 -4.169 1
1 822 . 9 1 1 A 66 66 ALA N N 66 115.951 125.049 -9.098 1
1 823 . 9 1 1 A 67 67 VAL H H 67 8.951 8.907 0.044 1
1 824 . 9 1 1 A 67 67 VAL HA H 67 4.875 4.882 -0.007 1
1 832 . 9 1 1 A 67 67 VAL C C 67 173.400 173.760 -0.360 1
1 833 . 9 1 1 A 67 67 VAL CA C 67 59.368 59.562 -0.194 1
1 834 . 9 1 1 A 67 67 VAL CB C 67 36.262 35.926 0.336 1
1 837 . 9 1 1 A 67 67 VAL N N 67 108.601 114.537 -5.936 1
1 838 . 9 1 1 A 68 68 ARG H H 68 9.043 8.699 0.344 1
1 839 . 9 1 1 A 68 68 ARG HA H 68 5.179 5.046 0.133 1
1 846 . 9 1 1 A 68 68 ARG C C 68 175.000 175.777 -0.777 1
1 847 . 9 1 1 A 68 68 ARG CA C 68 54.632 55.443 -0.811 1
1 848 . 9 1 1 A 68 68 ARG CB C 68 32.597 32.091 0.506 1
1 851 . 9 1 1 A 68 68 ARG N N 68 118.441 123.904 -5.463 1
1 852 . 9 1 1 A 69 69 ALA H H 69 9.561 8.657 0.904 1
1 853 . 9 1 1 A 69 69 ALA HA H 69 5.409 4.990 0.419 1
1 857 . 9 1 1 A 69 69 ALA C C 69 174.400 175.322 -0.922 1
1 858 . 9 1 1 A 69 69 ALA CA C 69 49.830 50.795 -0.965 1
1 859 . 9 1 1 A 69 69 ALA CB C 69 23.932 24.428 -0.496 1
1 860 . 9 1 1 A 69 69 ALA N N 69 126.495 123.033 3.462 1
1 861 . 9 1 1 A 70 70 ARG H H 70 8.692 7.986 0.706 1
1 862 . 9 1 1 A 70 70 ARG HA H 70 5.169 5.183 -0.014 1
1 869 . 9 1 1 A 70 70 ARG C C 70 175.700 174.829 0.871 1
1 870 . 9 1 1 A 70 70 ARG CA C 70 55.090 54.283 0.807 1
1 871 . 9 1 1 A 70 70 ARG CB C 70 33.544 33.750 -0.206 1
1 874 . 9 1 1 A 70 70 ARG N N 70 122.321 118.264 4.057 1
1 875 . 9 1 1 A 71 71 PHE H H 71 9.442 9.250 0.192 1
1 876 . 9 1 1 A 71 71 PHE HA H 71 4.859 4.798 0.061 1
1 879 . 9 1 1 A 71 71 PHE C C 71 175.700 176.571 -0.871 1
1 880 . 9 1 1 A 71 71 PHE CA C 71 57.465 57.266 0.199 1
1 881 . 9 1 1 A 71 71 PHE CB C 71 41.819 40.656 1.163 1
1 882 . 9 1 1 A 71 71 PHE N N 71 128.794 123.110 5.684 1
1 883 . 9 1 1 A 72 72 GLU H H 72 8.968 8.540 0.428 1
1 884 . 9 1 1 A 72 72 GLU HA H 72 4.242 4.375 -0.133 1
1 889 . 9 1 1 A 72 72 GLU C C 72 176.500 177.419 -0.919 1
1 890 . 9 1 1 A 72 72 GLU CA C 72 58.604 55.826 2.778 1
1 891 . 9 1 1 A 72 72 GLU CB C 72 30.263 28.554 1.709 1
1 893 . 9 1 1 A 72 72 GLU N N 72 121.197 121.062 0.135 1
1 894 . 9 1 1 A 73 73 LYS H H 73 8.123 8.555 -0.432 1
1 895 . 9 1 1 A 73 73 LYS HA H 73 4.514 4.314 0.200 1
1 904 . 9 1 1 A 73 73 LYS C C 73 175.300 177.488 -2.188 1
1 905 . 9 1 1 A 73 73 LYS CA C 73 54.839 57.894 -3.055 1
1 906 . 9 1 1 A 73 73 LYS CB C 73 34.555 32.353 2.202 1
1 910 . 9 1 1 A 73 73 LYS N N 73 117.266 119.362 -2.096 1
1 911 . 9 1 1 A 74 74 GLY H H 74 8.138 8.275 -0.137 1
1 912 . 9 1 1 A 74 74 GLY HA2 H 74 3.733 3.910 -0.177 1
1 913 . 9 1 1 A 74 74 GLY HA3 H 74 3.734 3.959 -0.225 1
1 914 . 9 1 1 A 74 74 GLY C C 74 173.300 175.703 -2.403 1
1 915 . 9 1 1 A 74 74 GLY CA C 74 45.289 47.153 -1.864 1
1 916 . 9 1 1 A 74 74 GLY N N 74 105.973 107.434 -1.461 1
1 917 . 9 1 1 A 75 75 LEU H H 75 7.924 7.587 0.337 1
1 918 . 9 1 1 A 75 75 LEU HA H 75 4.337 4.014 0.323 1
1 928 . 9 1 1 A 75 75 LEU CA C 75 52.387 53.094 -0.707 1
1 929 . 9 1 1 A 75 75 LEU CB C 75 41.391 41.925 -0.534 1
1 933 . 9 1 1 A 75 75 LEU N N 75 122.540 120.986 1.554 1
1 934 . 9 1 1 A 76 76 PRO HA H 76 4.527 4.580 -0.053 1
1 941 . 9 1 1 A 76 76 PRO C C 76 176.700 176.415 0.285 1
1 942 . 9 1 1 A 76 76 PRO CA C 76 62.467 62.277 0.190 1
1 943 . 9 1 1 A 76 76 PRO CB C 76 32.055 33.089 -1.034 1
1 946 . 9 1 1 A 77 77 GLY H H 77 8.346 8.515 -0.169 1
1 947 . 9 1 1 A 77 77 GLY HA2 H 77 3.912 3.773 0.139 1
1 948 . 9 1 1 A 77 77 GLY HA3 H 77 3.836 3.796 0.040 1
1 949 . 9 1 1 A 77 77 GLY C C 77 174.900 174.923 -0.023 1
1 950 . 9 1 1 A 77 77 GLY CA C 77 46.447 46.266 0.181 1
1 951 . 9 1 1 A 77 77 GLY N N 77 107.966 108.659 -0.693 1
1 952 . 9 1 1 A 78 78 GLN H H 78 8.226 8.959 -0.733 1
1 953 . 9 1 1 A 78 78 GLN HA H 78 4.244 4.298 -0.054 1
1 960 . 9 1 1 A 78 78 GLN C C 78 175.500 174.772 0.728 1
1 961 . 9 1 1 A 78 78 GLN CA C 78 57.091 56.258 0.833 1
1 962 . 9 1 1 A 78 78 GLN CB C 78 28.933 28.144 0.789 1
1 964 . 9 1 1 A 78 78 GLN N N 78 118.286 124.885 -6.599 1
1 966 . 9 1 1 A 79 79 ALA H H 79 7.890 8.552 -0.662 1
1 967 . 9 1 1 A 79 79 ALA HA H 79 4.211 4.478 -0.267 1
1 971 . 9 1 1 A 79 79 ALA C C 79 177.100 177.118 -0.018 1
1 972 . 9 1 1 A 79 79 ALA CA C 79 52.573 52.692 -0.119 1
1 973 . 9 1 1 A 79 79 ALA CB C 79 19.067 21.161 -2.094 1
1 974 . 9 1 1 A 79 79 ALA N N 79 122.012 126.030 -4.018 1
1 975 . 9 1 1 A 80 80 LEU H H 80 7.340 7.516 -0.176 1
1 976 . 9 1 1 A 80 80 LEU HA H 80 3.548 3.819 -0.271 1
1 986 . 9 1 1 A 80 80 LEU C C 80 178.200 177.665 0.535 1
1 987 . 9 1 1 A 80 80 LEU CA C 80 57.059 56.690 0.369 1
1 988 . 9 1 1 A 80 80 LEU CB C 80 41.010 41.721 -0.711 1
1 992 . 9 1 1 A 80 80 LEU N N 80 117.413 119.999 -2.586 1
1 993 . 9 1 1 A 81 81 GLY H H 81 8.704 8.971 -0.267 1
1 994 . 9 1 1 A 81 81 GLY HA2 H 81 3.477 3.940 -0.463 1
1 995 . 9 1 1 A 81 81 GLY HA3 H 81 4.176 3.978 0.198 1
1 996 . 9 1 1 A 81 81 GLY C C 81 173.200 174.073 -0.873 1
1 997 . 9 1 1 A 81 81 GLY CA C 81 45.500 44.849 0.651 1
1 998 . 9 1 1 A 81 81 GLY N N 81 113.076 115.425 -2.349 1
1 999 . 9 1 1 A 82 82 ASP H H 82 8.092 8.053 0.039 1
1 1000 . 9 1 1 A 82 82 ASP HA H 82 4.711 4.848 -0.137 1
1 1003 . 9 1 1 A 82 82 ASP C C 82 175.400 176.053 -0.653 1
1 1004 . 9 1 1 A 82 82 ASP CA C 82 53.447 54.947 -1.500 1
1 1005 . 9 1 1 A 82 82 ASP CB C 82 42.306 41.774 0.532 1
1 1006 . 9 1 1 A 82 82 ASP N N 82 120.648 121.630 -0.982 1
1 1007 . 9 1 1 A 83 83 TYR H H 83 8.637 8.752 -0.115 1
1 1008 . 9 1 1 A 83 83 TYR HA H 83 5.725 4.712 1.013 1
1 1011 . 9 1 1 A 83 83 TYR C C 83 176.800 176.269 0.531 1
1 1012 . 9 1 1 A 83 83 TYR CA C 83 57.359 59.467 -2.108 1
1 1013 . 9 1 1 A 83 83 TYR CB C 83 40.594 39.144 1.450 1
1 1014 . 9 1 1 A 83 83 TYR N N 83 117.015 121.681 -4.666 1
1 1015 . 9 1 1 A 84 84 VAL H H 84 8.747 8.498 0.249 1
1 1016 . 9 1 1 A 84 84 VAL HA H 84 5.006 5.156 -0.150 1
1 1024 . 9 1 1 A 84 84 VAL C C 84 175.200 175.001 0.199 1
1 1025 . 9 1 1 A 84 84 VAL CA C 84 58.855 60.431 -1.576 1
1 1026 . 9 1 1 A 84 84 VAL CB C 84 35.371 33.948 1.423 1
1 1029 . 9 1 1 A 84 84 VAL N N 84 111.283 119.359 -8.076 1
1 1030 . 9 1 1 A 85 85 GLU H H 85 8.384 8.838 -0.454 1
1 1031 . 9 1 1 A 85 85 GLU HA H 85 5.129 5.301 -0.172 1
1 1036 . 9 1 1 A 85 85 GLU C C 85 174.900 175.310 -0.410 1
1 1037 . 9 1 1 A 85 85 GLU CA C 85 55.209 54.999 0.210 1
1 1038 . 9 1 1 A 85 85 GLU CB C 85 33.531 34.384 -0.853 1
1 1040 . 9 1 1 A 85 85 GLU N N 85 118.476 120.239 -1.763 1
1 1041 . 9 1 1 A 86 86 ILE H H 86 9.344 8.905 0.439 1
1 1042 . 9 1 1 A 86 86 ILE HA H 86 4.951 4.565 0.386 1
1 1052 . 9 1 1 A 86 86 ILE C C 86 176.000 175.342 0.658 1
1 1053 . 9 1 1 A 86 86 ILE CA C 86 60.535 60.728 -0.193 1
1 1054 . 9 1 1 A 86 86 ILE CB C 86 39.154 37.419 1.735 1
1 1058 . 9 1 1 A 86 86 ILE N N 86 124.495 123.405 1.090 1
1 1 . 10 1 1 A 2 2 ARG HA H 2 5.159 5.045 0.114 1
1 8 . 10 1 1 A 2 2 ARG C C 2 175.500 175.077 0.423 1
1 9 . 10 1 1 A 2 2 ARG CA C 2 55.183 54.284 0.899 1
1 10 . 10 1 1 A 2 2 ARG CB C 2 32.737 33.294 -0.557 1
1 13 . 10 1 1 A 3 3 ILE H H 3 8.800 8.646 0.154 1
1 14 . 10 1 1 A 3 3 ILE HA H 3 4.674 4.792 -0.118 1
1 24 . 10 1 1 A 3 3 ILE C C 3 175.000 174.534 0.466 1
1 25 . 10 1 1 A 3 3 ILE CA C 3 60.050 59.598 0.452 1
1 26 . 10 1 1 A 3 3 ILE CB C 3 41.249 42.779 -1.530 1
1 30 . 10 1 1 A 3 3 ILE N N 3 119.700 120.756 -1.056 1
1 31 . 10 1 1 A 4 4 LYS H H 4 8.864 8.927 -0.063 1
1 32 . 10 1 1 A 4 4 LYS HA H 4 5.180 5.396 -0.216 1
1 41 . 10 1 1 A 4 4 LYS C C 4 176.800 175.087 1.713 1
1 42 . 10 1 1 A 4 4 LYS CA C 4 55.798 54.848 0.950 1
1 43 . 10 1 1 A 4 4 LYS CB C 4 35.471 34.946 0.525 1
1 47 . 10 1 1 A 4 4 LYS N N 4 123.785 121.687 2.098 1
1 48 . 10 1 1 A 5 5 GLY H H 5 8.662 9.029 -0.367 1
1 49 . 10 1 1 A 5 5 GLY HA2 H 5 3.122 4.102 -0.980 1
1 50 . 10 1 1 A 5 5 GLY HA3 H 5 5.139 4.126 1.013 1
1 51 . 10 1 1 A 5 5 GLY C C 5 170.800 172.778 -1.978 1
1 52 . 10 1 1 A 5 5 GLY CA C 5 44.967 44.058 0.909 1
1 53 . 10 1 1 A 5 5 GLY N N 5 107.023 109.563 -2.540 1
1 54 . 10 1 1 A 6 6 VAL H H 6 8.168 8.083 0.085 1
1 55 . 10 1 1 A 6 6 VAL HA H 6 4.936 4.365 0.571 1
1 63 . 10 1 1 A 6 6 VAL C C 6 175.100 174.825 0.275 1
1 64 . 10 1 1 A 6 6 VAL CA C 6 60.066 60.413 -0.347 1
1 65 . 10 1 1 A 6 6 VAL CB C 6 35.501 35.418 0.083 1
1 68 . 10 1 1 A 6 6 VAL N N 6 118.930 119.918 -0.988 1
1 69 . 10 1 1 A 7 7 VAL H H 7 8.663 8.812 -0.149 1
1 70 . 10 1 1 A 7 7 VAL HA H 7 3.771 4.074 -0.303 1
1 78 . 10 1 1 A 7 7 VAL C C 7 176.020 175.566 0.454 1
1 79 . 10 1 1 A 7 7 VAL CA C 7 63.861 63.202 0.659 1
1 80 . 10 1 1 A 7 7 VAL CB C 7 31.549 32.206 -0.657 1
1 83 . 10 1 1 A 7 7 VAL N N 7 126.733 126.138 0.595 1
1 84 . 10 1 1 A 8 8 LEU H H 8 9.077 8.625 0.452 1
1 85 . 10 1 1 A 8 8 LEU HA H 8 4.396 4.483 -0.087 1
1 95 . 10 1 1 A 8 8 LEU C C 8 177.000 176.657 0.343 1
1 96 . 10 1 1 A 8 8 LEU CA C 8 55.871 55.725 0.146 1
1 97 . 10 1 1 A 8 8 LEU CB C 8 43.337 43.477 -0.140 1
1 101 . 10 1 1 A 8 8 LEU N N 8 128.947 127.422 1.525 1
1 102 . 10 1 1 A 9 9 SER H H 9 7.409 7.665 -0.256 1
1 103 . 10 1 1 A 9 9 SER HA H 9 4.347 4.953 -0.606 1
1 106 . 10 1 1 A 9 9 SER C C 9 172.900 171.933 0.967 1
1 107 . 10 1 1 A 9 9 SER CA C 9 57.866 57.717 0.149 1
1 108 . 10 1 1 A 9 9 SER CB C 9 64.173 66.735 -2.562 1
1 109 . 10 1 1 A 9 9 SER N N 9 108.469 111.534 -3.065 1
1 110 . 10 1 1 A 10 10 TYR H H 10 8.464 8.938 -0.474 1
1 111 . 10 1 1 A 10 10 TYR HA H 10 5.064 5.141 -0.077 1
1 114 . 10 1 1 A 10 10 TYR C C 10 175.400 173.964 1.436 1
1 115 . 10 1 1 A 10 10 TYR CA C 10 57.258 56.276 0.982 1
1 116 . 10 1 1 A 10 10 TYR CB C 10 40.325 40.291 0.034 1
1 117 . 10 1 1 A 10 10 TYR N N 10 121.190 127.116 -5.926 1
1 118 . 10 1 1 A 11 11 ARG H H 11 8.545 8.542 0.003 1
1 119 . 10 1 1 A 11 11 ARG HA H 11 4.441 4.612 -0.171 1
1 126 . 10 1 1 A 11 11 ARG C C 11 174.800 176.328 -1.528 1
1 127 . 10 1 1 A 11 11 ARG CA C 11 55.308 55.581 -0.273 1
1 128 . 10 1 1 A 11 11 ARG CB C 11 31.551 31.536 0.015 1
1 131 . 10 1 1 A 11 11 ARG N N 11 124.044 127.681 -3.637 1
1 132 . 10 1 1 A 12 12 ARG H H 12 8.562 8.328 0.234 1
1 133 . 10 1 1 A 12 12 ARG HA H 12 4.577 4.393 0.184 1
1 140 . 10 1 1 A 12 12 ARG C C 12 176.100 175.961 0.139 1
1 141 . 10 1 1 A 12 12 ARG CA C 12 55.803 55.505 0.298 1
1 142 . 10 1 1 A 12 12 ARG CB C 12 31.265 29.623 1.642 1
1 145 . 10 1 1 A 12 12 ARG N N 12 124.990 121.245 3.745 1
1 146 . 10 1 1 A 13 13 SER H H 13 8.485 7.877 0.608 1
1 147 . 10 1 1 A 13 13 SER HA H 13 4.542 4.353 0.189 1
1 150 . 10 1 1 A 13 13 SER C C 13 175.000 174.009 0.991 1
1 151 . 10 1 1 A 13 13 SER CA C 13 57.790 58.706 -0.916 1
1 152 . 10 1 1 A 13 13 SER CB C 13 64.666 62.551 2.115 1
1 153 . 10 1 1 A 13 13 SER N N 13 118.058 115.045 3.013 1
1 154 . 10 1 1 A 14 14 LYS H H 14 8.663 8.621 0.042 1
1 155 . 10 1 1 A 14 14 LYS HA H 14 4.178 4.457 -0.279 1
1 164 . 10 1 1 A 14 14 LYS C C 14 177.400 176.840 0.560 1
1 165 . 10 1 1 A 14 14 LYS CA C 14 57.997 57.771 0.226 1
1 166 . 10 1 1 A 14 14 LYS CB C 14 32.686 34.880 -2.194 1
1 170 . 10 1 1 A 14 14 LYS N N 14 123.187 125.282 -2.095 1
1 171 . 10 1 1 A 15 15 GLU H H 15 8.525 8.218 0.307 1
1 172 . 10 1 1 A 15 15 GLU HA H 15 4.217 4.494 -0.277 1
1 177 . 10 1 1 A 15 15 GLU C C 15 176.300 175.835 0.465 1
1 178 . 10 1 1 A 15 15 GLU CA C 15 57.504 55.970 1.534 1
1 179 . 10 1 1 A 15 15 GLU CB C 15 29.654 29.577 0.077 1
1 181 . 10 1 1 A 15 15 GLU N N 15 118.364 117.696 0.668 1
1 182 . 10 1 1 A 16 16 ASN H H 16 7.985 8.071 -0.086 1
1 183 . 10 1 1 A 16 16 ASN HA H 16 4.690 4.445 0.245 1
1 188 . 10 1 1 A 16 16 ASN C C 16 175.100 175.505 -0.405 1
1 189 . 10 1 1 A 16 16 ASN CA C 16 53.363 54.004 -0.641 1
1 190 . 10 1 1 A 16 16 ASN CB C 16 39.022 36.815 2.207 1
1 191 . 10 1 1 A 16 16 ASN N N 16 117.467 116.723 0.744 1
1 193 . 10 1 1 A 17 17 GLN H H 17 8.384 8.161 0.223 1
1 194 . 10 1 1 A 17 17 GLN HA H 17 4.256 4.478 -0.222 1
1 201 . 10 1 1 A 17 17 GLN C C 17 175.800 175.863 -0.063 1
1 202 . 10 1 1 A 17 17 GLN CA C 17 56.678 57.077 -0.399 1
1 203 . 10 1 1 A 17 17 GLN CB C 17 29.071 30.391 -1.320 1
1 205 . 10 1 1 A 17 17 GLN N N 17 119.788 123.918 -4.130 1
1 207 . 10 1 1 A 18 18 HIS H H 18 8.209 7.722 0.487 1
1 208 . 10 1 1 A 18 18 HIS HA H 18 4.683 4.841 -0.158 1
1 211 . 10 1 1 A 18 18 HIS C C 18 175.080 174.249 0.831 1
1 212 . 10 1 1 A 18 18 HIS CA C 18 55.839 57.072 -1.233 1
1 213 . 10 1 1 A 18 18 HIS CB C 18 30.460 31.864 -1.404 1
1 214 . 10 1 1 A 18 18 HIS N N 18 117.984 116.248 1.736 1
1 215 . 10 1 1 A 19 19 ASN H H 19 8.430 7.810 0.620 1
1 216 . 10 1 1 A 19 19 ASN HA H 19 4.813 4.907 -0.094 1
1 221 . 10 1 1 A 19 19 ASN C C 19 174.300 173.544 0.756 1
1 222 . 10 1 1 A 19 19 ASN CA C 19 53.172 52.102 1.070 1
1 223 . 10 1 1 A 19 19 ASN CB C 19 38.503 40.732 -2.229 1
1 224 . 10 1 1 A 19 19 ASN N N 19 122.300 116.222 6.078 1
1 226 . 10 1 1 A 20 20 ASN H H 20 8.353 8.686 -0.333 1
1 227 . 10 1 1 A 20 20 ASN HA H 20 4.828 4.951 -0.123 1
1 232 . 10 1 1 A 20 20 ASN C C 20 174.000 174.948 -0.948 1
1 233 . 10 1 1 A 20 20 ASN CA C 20 53.292 53.284 0.008 1
1 234 . 10 1 1 A 20 20 ASN CB C 20 38.896 38.754 0.142 1
1 235 . 10 1 1 A 20 20 ASN N N 20 117.387 119.401 -2.014 1
1 237 . 10 1 1 A 21 21 VAL H H 21 8.285 8.556 -0.271 1
1 238 . 10 1 1 A 21 21 VAL HA H 21 5.090 4.766 0.324 1
1 246 . 10 1 1 A 21 21 VAL C C 21 174.900 174.774 0.126 1
1 247 . 10 1 1 A 21 21 VAL CA C 21 61.409 60.902 0.507 1
1 248 . 10 1 1 A 21 21 VAL CB C 21 33.979 33.966 0.013 1
1 251 . 10 1 1 A 21 21 VAL N N 21 120.718 125.177 -4.459 1
1 252 . 10 1 1 A 22 22 MET H H 22 9.083 8.645 0.438 1
1 253 . 10 1 1 A 22 22 MET HA H 22 5.073 5.200 -0.127 1
1 258 . 10 1 1 A 22 22 MET C C 22 174.600 173.930 0.670 1
1 259 . 10 1 1 A 22 22 MET CA C 22 53.096 53.759 -0.663 1
1 260 . 10 1 1 A 22 22 MET CB C 22 36.612 35.734 0.878 1
1 262 . 10 1 1 A 22 22 MET N N 22 123.693 121.665 2.028 1
1 263 . 10 1 1 A 23 23 ILE H H 23 8.761 8.634 0.127 1
1 264 . 10 1 1 A 23 23 ILE HA H 23 4.738 4.747 -0.009 1
1 274 . 10 1 1 A 23 23 ILE C C 23 175.500 175.219 0.281 1
1 275 . 10 1 1 A 23 23 ILE CA C 23 59.230 60.441 -1.211 1
1 276 . 10 1 1 A 23 23 ILE CB C 23 36.022 39.014 -2.992 1
1 280 . 10 1 1 A 23 23 ILE N N 23 123.898 122.150 1.748 1
1 281 . 10 1 1 A 24 24 ILE H H 24 9.048 8.694 0.354 1
1 282 . 10 1 1 A 24 24 ILE HA H 24 4.881 4.850 0.031 1
1 292 . 10 1 1 A 24 24 ILE C C 24 174.200 175.170 -0.970 1
1 293 . 10 1 1 A 24 24 ILE CA C 24 58.256 59.440 -1.184 1
1 294 . 10 1 1 A 24 24 ILE CB C 24 42.799 42.332 0.467 1
1 298 . 10 1 1 A 24 24 ILE N N 24 126.877 126.897 -0.020 1
1 299 . 10 1 1 A 25 25 LYS H H 25 9.205 8.502 0.703 1
1 300 . 10 1 1 A 25 25 LYS HA H 25 5.109 4.856 0.253 1
1 305 . 10 1 1 A 25 25 LYS CA C 25 50.908 52.951 -2.043 1
1 306 . 10 1 1 A 25 25 LYS CB C 25 34.893 34.963 -0.070 1
1 307 . 10 1 1 A 25 25 LYS N N 25 127.192 126.125 1.067 1
1 308 . 10 1 1 A 26 26 PRO HA H 26 4.823 4.499 0.324 1
1 315 . 10 1 1 A 26 26 PRO C C 26 177.300 177.338 -0.038 1
1 316 . 10 1 1 A 26 26 PRO CA C 26 61.185 62.278 -1.093 1
1 317 . 10 1 1 A 26 26 PRO CB C 26 30.625 29.358 1.267 1
1 320 . 10 1 1 A 27 27 LEU H H 27 8.861 8.653 0.208 1
1 321 . 10 1 1 A 27 27 LEU HA H 27 4.101 4.111 -0.010 1
1 331 . 10 1 1 A 27 27 LEU C C 27 177.800 176.931 0.869 1
1 332 . 10 1 1 A 27 27 LEU CA C 27 57.590 58.073 -0.483 1
1 333 . 10 1 1 A 27 27 LEU CB C 27 40.721 41.832 -1.111 1
1 337 . 10 1 1 A 27 27 LEU N N 27 127.814 124.269 3.545 1
1 338 . 10 1 1 A 28 28 ASP H H 28 8.818 7.784 1.034 1
1 339 . 10 1 1 A 28 28 ASP HA H 28 4.477 4.664 -0.187 1
1 342 . 10 1 1 A 28 28 ASP C C 28 174.500 176.738 -2.238 1
1 343 . 10 1 1 A 28 28 ASP CA C 28 55.417 55.623 -0.206 1
1 344 . 10 1 1 A 28 28 ASP CB C 28 40.527 41.558 -1.031 1
1 345 . 10 1 1 A 28 28 ASP N N 28 114.920 116.511 -1.591 1
1 346 . 10 1 1 A 29 29 VAL H H 29 7.004 7.925 -0.921 1
1 347 . 10 1 1 A 29 29 VAL HA H 29 4.164 3.677 0.487 1
1 355 . 10 1 1 A 29 29 VAL C C 29 175.600 175.887 -0.287 1
1 356 . 10 1 1 A 29 29 VAL CA C 29 62.553 62.915 -0.362 1
1 357 . 10 1 1 A 29 29 VAL CB C 29 32.711 29.768 2.943 1
1 360 . 10 1 1 A 29 29 VAL N N 29 119.689 116.678 3.011 1
1 361 . 10 1 1 A 30 30 ASN H H 30 8.802 8.456 0.346 1
1 362 . 10 1 1 A 30 30 ASN HA H 30 5.409 4.898 0.511 1
1 367 . 10 1 1 A 30 30 ASN C C 30 173.400 174.488 -1.088 1
1 368 . 10 1 1 A 30 30 ASN CA C 30 53.262 52.917 0.345 1
1 369 . 10 1 1 A 30 30 ASN CB C 30 41.186 37.998 3.188 1
1 370 . 10 1 1 A 30 30 ASN N N 30 122.479 119.202 3.277 1
1 372 . 10 1 1 A 31 31 SER H H 31 7.329 7.554 -0.225 1
1 373 . 10 1 1 A 31 31 SER HA H 31 4.878 4.786 0.092 1
1 376 . 10 1 1 A 31 31 SER C C 31 173.700 174.302 -0.602 1
1 377 . 10 1 1 A 31 31 SER CA C 31 56.428 57.595 -1.167 1
1 378 . 10 1 1 A 31 31 SER CB C 31 67.086 65.979 1.107 1
1 379 . 10 1 1 A 31 31 SER N N 31 109.583 114.603 -5.020 1
1 380 . 10 1 1 A 32 32 ARG H H 32 8.688 8.755 -0.067 1
1 381 . 10 1 1 A 32 32 ARG HA H 32 4.229 4.108 0.121 1
1 388 . 10 1 1 A 32 32 ARG C C 32 178.300 177.857 0.443 1
1 389 . 10 1 1 A 32 32 ARG CA C 32 58.914 59.465 -0.551 1
1 390 . 10 1 1 A 32 32 ARG CB C 32 30.785 29.930 0.855 1
1 393 . 10 1 1 A 32 32 ARG N N 32 123.538 127.436 -3.898 1
1 394 . 10 1 1 A 33 33 GLU H H 33 9.157 8.368 0.789 1
1 395 . 10 1 1 A 33 33 GLU HA H 33 4.012 4.054 -0.042 1
1 400 . 10 1 1 A 33 33 GLU C C 33 179.900 179.227 0.673 1
1 401 . 10 1 1 A 33 33 GLU CA C 33 60.615 59.158 1.457 1
1 402 . 10 1 1 A 33 33 GLU CB C 33 28.895 29.280 -0.385 1
1 404 . 10 1 1 A 33 33 GLU N N 33 120.517 119.068 1.449 1
1 405 . 10 1 1 A 34 34 GLU H H 34 7.623 8.147 -0.524 1
1 406 . 10 1 1 A 34 34 GLU HA H 34 4.096 4.074 0.022 1
1 411 . 10 1 1 A 34 34 GLU C C 34 179.100 179.166 -0.066 1
1 412 . 10 1 1 A 34 34 GLU CA C 34 58.647 59.002 -0.355 1
1 413 . 10 1 1 A 34 34 GLU CB C 34 30.874 29.370 1.504 1
1 415 . 10 1 1 A 34 34 GLU N N 34 118.275 120.003 -1.728 1
1 416 . 10 1 1 A 35 35 ALA H H 35 8.131 8.444 -0.313 1
1 417 . 10 1 1 A 35 35 ALA HA H 35 3.828 4.094 -0.266 1
1 421 . 10 1 1 A 35 35 ALA C C 35 179.800 180.327 -0.527 1
1 422 . 10 1 1 A 35 35 ALA CA C 35 55.337 55.239 0.098 1
1 423 . 10 1 1 A 35 35 ALA CB C 35 18.361 18.557 -0.196 1
1 424 . 10 1 1 A 35 35 ALA N N 35 123.551 123.335 0.216 1
1 425 . 10 1 1 A 36 36 SER H H 36 8.279 8.625 -0.346 1
1 426 . 10 1 1 A 36 36 SER HA H 36 3.875 4.170 -0.295 1
1 429 . 10 1 1 A 36 36 SER C C 36 176.100 176.180 -0.080 1
1 430 . 10 1 1 A 36 36 SER CA C 36 61.573 61.693 -0.120 1
1 431 . 10 1 1 A 36 36 SER CB C 36 63.126 63.064 0.062 1
1 432 . 10 1 1 A 36 36 SER N N 36 112.905 114.260 -1.355 1
1 433 . 10 1 1 A 37 37 LYS H H 37 7.120 8.407 -1.287 1
1 434 . 10 1 1 A 37 37 LYS HA H 37 4.203 4.092 0.111 1
1 443 . 10 1 1 A 37 37 LYS C C 37 177.100 178.168 -1.068 1
1 444 . 10 1 1 A 37 37 LYS CA C 37 57.553 58.468 -0.915 1
1 445 . 10 1 1 A 37 37 LYS CB C 37 32.178 32.186 -0.008 1
1 449 . 10 1 1 A 37 37 LYS N N 37 119.081 121.474 -2.393 1
1 450 . 10 1 1 A 38 38 LEU H H 38 7.877 8.235 -0.358 1
1 451 . 10 1 1 A 38 38 LEU HA H 38 4.138 4.484 -0.346 1
1 461 . 10 1 1 A 38 38 LEU C C 38 176.400 176.969 -0.569 1
1 462 . 10 1 1 A 38 38 LEU CA C 38 54.225 56.182 -1.957 1
1 463 . 10 1 1 A 38 38 LEU CB C 38 42.192 42.377 -0.185 1
1 467 . 10 1 1 A 38 38 LEU N N 38 115.729 116.145 -0.416 1
1 468 . 10 1 1 A 39 39 ILE H H 39 6.958 7.124 -0.166 1
1 469 . 10 1 1 A 39 39 ILE HA H 39 3.252 3.793 -0.541 1
1 479 . 10 1 1 A 39 39 ILE C C 39 177.100 177.113 -0.013 1
1 480 . 10 1 1 A 39 39 ILE CA C 39 63.952 64.030 -0.078 1
1 481 . 10 1 1 A 39 39 ILE CB C 39 36.338 37.393 -1.055 1
1 485 . 10 1 1 A 39 39 ILE N N 39 118.446 122.396 -3.950 1
1 486 . 10 1 1 A 40 40 GLY H H 40 8.877 8.960 -0.083 1
1 487 . 10 1 1 A 40 40 GLY HA2 H 40 4.518 3.966 0.552 1
1 488 . 10 1 1 A 40 40 GLY HA3 H 40 3.611 3.974 -0.363 1
1 489 . 10 1 1 A 40 40 GLY C C 40 174.600 174.418 0.182 1
1 490 . 10 1 1 A 40 40 GLY CA C 40 44.763 44.857 -0.094 1
1 491 . 10 1 1 A 40 40 GLY N N 40 115.966 115.596 0.370 1
1 492 . 10 1 1 A 41 41 ARG H H 41 7.939 7.960 -0.021 1
1 493 . 10 1 1 A 41 41 ARG HA H 41 4.481 4.347 0.134 1
1 500 . 10 1 1 A 41 41 ARG C C 41 175.000 175.384 -0.384 1
1 501 . 10 1 1 A 41 41 ARG CA C 41 56.298 55.892 0.406 1
1 502 . 10 1 1 A 41 41 ARG CB C 41 30.619 31.434 -0.815 1
1 505 . 10 1 1 A 41 41 ARG N N 41 118.629 122.421 -3.792 1
1 506 . 10 1 1 A 42 42 LEU H H 42 8.400 8.335 0.065 1
1 507 . 10 1 1 A 42 42 LEU HA H 42 4.773 4.721 0.052 1
1 517 . 10 1 1 A 42 42 LEU C C 42 175.200 175.558 -0.358 1
1 518 . 10 1 1 A 42 42 LEU CA C 42 54.561 54.573 -0.012 1
1 519 . 10 1 1 A 42 42 LEU CB C 42 44.111 42.798 1.313 1
1 523 . 10 1 1 A 42 42 LEU N N 42 121.347 127.330 -5.983 1
1 524 . 10 1 1 A 43 43 VAL H H 43 8.189 8.155 0.034 1
1 525 . 10 1 1 A 43 43 VAL HA H 43 5.045 4.583 0.462 1
1 533 . 10 1 1 A 43 43 VAL C C 43 173.800 174.793 -0.993 1
1 534 . 10 1 1 A 43 43 VAL CA C 43 59.401 61.311 -1.910 1
1 535 . 10 1 1 A 43 43 VAL CB C 43 34.438 32.669 1.769 1
1 538 . 10 1 1 A 43 43 VAL N N 43 120.875 124.760 -3.885 1
1 539 . 10 1 1 A 44 44 LEU H H 44 9.320 9.237 0.083 1
1 540 . 10 1 1 A 44 44 LEU HA H 44 5.371 4.978 0.393 1
1 550 . 10 1 1 A 44 44 LEU C C 44 176.600 175.139 1.461 1
1 551 . 10 1 1 A 44 44 LEU CA C 44 53.600 53.835 -0.235 1
1 552 . 10 1 1 A 44 44 LEU CB C 44 44.381 41.611 2.770 1
1 556 . 10 1 1 A 44 44 LEU N N 44 124.820 127.906 -3.086 1
1 557 . 10 1 1 A 45 45 TRP H H 45 9.251 8.890 0.361 1
1 558 . 10 1 1 A 45 45 TRP HA H 45 5.023 5.119 -0.096 1
1 561 . 10 1 1 A 45 45 TRP C C 45 173.100 175.021 -1.921 1
1 562 . 10 1 1 A 45 45 TRP CA C 45 57.182 55.990 1.192 1
1 563 . 10 1 1 A 45 45 TRP CB C 45 31.353 31.247 0.106 1
1 564 . 10 1 1 A 45 45 TRP N N 45 125.368 128.115 -2.747 1
1 565 . 10 1 1 A 46 46 LYS H H 46 8.064 8.772 -0.708 1
1 566 . 10 1 1 A 46 46 LYS HA H 46 4.314 4.274 0.040 1
1 575 . 10 1 1 A 46 46 LYS C C 46 173.800 175.411 -1.611 1
1 576 . 10 1 1 A 46 46 LYS CA C 46 55.132 55.589 -0.457 1
1 577 . 10 1 1 A 46 46 LYS CB C 46 32.714 31.992 0.722 1
1 580 . 10 1 1 A 46 46 LYS N N 46 129.540 130.058 -0.518 1
1 581 . 10 1 1 A 47 47 SER H H 47 8.208 7.774 0.434 1
1 582 . 10 1 1 A 47 47 SER HA H 47 3.245 4.028 -0.783 1
1 585 . 10 1 1 A 47 47 SER CA C 47 56.564 56.985 -0.421 1
1 586 . 10 1 1 A 47 47 SER CB C 47 63.584 62.396 1.188 1
1 587 . 10 1 1 A 47 47 SER N N 47 124.549 123.017 1.532 1
1 588 . 10 1 1 A 48 48 PRO HA H 48 4.286 4.410 -0.124 1
1 595 . 10 1 1 A 48 48 PRO C C 48 177.500 177.551 -0.051 1
1 596 . 10 1 1 A 48 48 PRO CA C 48 65.461 64.987 0.474 1
1 597 . 10 1 1 A 48 48 PRO CB C 48 31.723 32.020 -0.297 1
1 600 . 10 1 1 A 49 49 SER H H 49 7.754 7.628 0.126 1
1 601 . 10 1 1 A 49 49 SER HA H 49 4.414 4.474 -0.060 1
1 604 . 10 1 1 A 49 49 SER C C 49 175.200 174.503 0.697 1
1 605 . 10 1 1 A 49 49 SER CA C 49 58.552 58.101 0.451 1
1 606 . 10 1 1 A 49 49 SER CB C 49 63.820 63.267 0.553 1
1 607 . 10 1 1 A 49 49 SER N N 49 109.700 111.842 -2.142 1
1 608 . 10 1 1 A 50 50 GLY H H 50 8.194 7.932 0.262 1
1 609 . 10 1 1 A 50 50 GLY HA2 H 50 3.314 3.857 -0.543 1
1 610 . 10 1 1 A 50 50 GLY HA3 H 50 4.354 3.875 0.479 1
1 611 . 10 1 1 A 50 50 GLY C C 50 173.700 173.992 -0.292 1
1 612 . 10 1 1 A 50 50 GLY CA C 50 45.031 45.618 -0.587 1
1 613 . 10 1 1 A 50 50 GLY N N 50 111.568 110.082 1.486 1
1 614 . 10 1 1 A 51 51 LYS H H 51 7.246 7.840 -0.594 1
1 615 . 10 1 1 A 51 51 LYS HA H 51 4.246 4.236 0.010 1
1 624 . 10 1 1 A 51 51 LYS C C 51 175.900 175.901 -0.001 1
1 625 . 10 1 1 A 51 51 LYS CA C 51 55.948 55.857 0.091 1
1 626 . 10 1 1 A 51 51 LYS CB C 51 32.893 32.652 0.241 1
1 630 . 10 1 1 A 51 51 LYS N N 51 120.424 121.678 -1.254 1
1 631 . 10 1 1 A 52 52 ILE H H 52 8.718 8.608 0.110 1
1 632 . 10 1 1 A 52 52 ILE HA H 52 4.670 4.241 0.429 1
1 642 . 10 1 1 A 52 52 ILE C C 52 176.100 175.491 0.609 1
1 643 . 10 1 1 A 52 52 ILE CA C 52 60.261 60.458 -0.197 1
1 644 . 10 1 1 A 52 52 ILE CB C 52 38.268 37.583 0.685 1
1 648 . 10 1 1 A 52 52 ILE N N 52 125.588 128.502 -2.914 1
1 649 . 10 1 1 A 53 53 LEU H H 53 9.558 8.541 1.017 1
1 650 . 10 1 1 A 53 53 LEU HA H 53 4.930 5.000 -0.070 1
1 660 . 10 1 1 A 53 53 LEU C C 53 175.800 176.865 -1.065 1
1 661 . 10 1 1 A 53 53 LEU CA C 53 54.305 53.652 0.653 1
1 662 . 10 1 1 A 53 53 LEU CB C 53 44.080 42.937 1.143 1
1 666 . 10 1 1 A 53 53 LEU N N 53 131.583 129.166 2.417 1
1 667 . 10 1 1 A 54 54 LYS H H 54 8.746 8.800 -0.054 1
1 668 . 10 1 1 A 54 54 LYS HA H 54 5.463 5.019 0.444 1
1 677 . 10 1 1 A 54 54 LYS C C 54 176.200 176.041 0.159 1
1 678 . 10 1 1 A 54 54 LYS CA C 54 55.474 55.346 0.128 1
1 679 . 10 1 1 A 54 54 LYS CB C 54 35.349 34.725 0.624 1
1 683 . 10 1 1 A 54 54 LYS N N 54 120.463 124.283 -3.820 1
1 684 . 10 1 1 A 55 55 GLY H H 55 9.217 8.453 0.764 1
1 685 . 10 1 1 A 55 55 GLY HA2 H 55 4.347 3.699 0.648 1
1 686 . 10 1 1 A 55 55 GLY HA3 H 55 1.960 3.893 -1.933 1
1 687 . 10 1 1 A 55 55 GLY C C 55 172.400 171.987 0.413 1
1 688 . 10 1 1 A 55 55 GLY CA C 55 43.890 45.115 -1.225 1
1 689 . 10 1 1 A 55 55 GLY N N 55 114.284 108.234 6.050 1
1 690 . 10 1 1 A 56 56 LYS H H 56 8.015 8.249 -0.234 1
1 691 . 10 1 1 A 56 56 LYS HA H 56 5.145 4.855 0.290 1
1 700 . 10 1 1 A 56 56 LYS C C 56 176.000 175.193 0.807 1
1 701 . 10 1 1 A 56 56 LYS CA C 56 54.614 55.281 -0.667 1
1 702 . 10 1 1 A 56 56 LYS CB C 56 36.639 35.960 0.679 1
1 706 . 10 1 1 A 56 56 LYS N N 56 118.868 119.548 -0.680 1
1 707 . 10 1 1 A 57 57 ILE H H 57 8.693 8.741 -0.048 1
1 708 . 10 1 1 A 57 57 ILE HA H 57 4.149 4.124 0.025 1
1 718 . 10 1 1 A 57 57 ILE C C 57 177.200 177.118 0.082 1
1 719 . 10 1 1 A 57 57 ILE CA C 57 62.915 62.124 0.791 1
1 720 . 10 1 1 A 57 57 ILE CB C 57 36.286 38.046 -1.760 1
1 724 . 10 1 1 A 57 57 ILE N N 57 124.413 127.542 -3.129 1
1 725 . 10 1 1 A 58 58 VAL H H 58 8.931 8.894 0.037 1
1 726 . 10 1 1 A 58 58 VAL HA H 58 4.652 4.387 0.265 1
1 734 . 10 1 1 A 58 58 VAL C C 58 175.500 176.051 -0.551 1
1 735 . 10 1 1 A 58 58 VAL CA C 58 62.104 62.182 -0.078 1
1 736 . 10 1 1 A 58 58 VAL CB C 58 34.118 33.371 0.747 1
1 739 . 10 1 1 A 58 58 VAL N N 58 122.666 120.315 2.351 1
1 740 . 10 1 1 A 59 59 ARG H H 59 7.628 7.616 0.012 1
1 741 . 10 1 1 A 59 59 ARG HA H 59 4.667 4.669 -0.002 1
1 748 . 10 1 1 A 59 59 ARG C C 59 175.000 173.671 1.329 1
1 749 . 10 1 1 A 59 59 ARG CA C 59 55.579 54.870 0.709 1
1 750 . 10 1 1 A 59 59 ARG CB C 59 34.890 32.910 1.980 1
1 753 . 10 1 1 A 59 59 ARG N N 59 117.696 118.438 -0.742 1
1 754 . 10 1 1 A 60 60 VAL H H 60 8.647 8.579 0.068 1
1 755 . 10 1 1 A 60 60 VAL HA H 60 4.405 4.564 -0.159 1
1 763 . 10 1 1 A 60 60 VAL C C 60 173.700 174.798 -1.098 1
1 764 . 10 1 1 A 60 60 VAL CA C 60 63.124 61.291 1.833 1
1 765 . 10 1 1 A 60 60 VAL CB C 60 32.087 33.168 -1.081 1
1 768 . 10 1 1 A 60 60 VAL N N 60 117.604 122.477 -4.873 1
1 769 . 10 1 1 A 61 61 HIS H H 61 8.397 9.076 -0.679 1
1 770 . 10 1 1 A 61 61 HIS HA H 61 4.796 5.005 -0.209 1
1 773 . 10 1 1 A 61 61 HIS C C 61 174.200 174.979 -0.779 1
1 774 . 10 1 1 A 61 61 HIS CA C 61 55.883 55.145 0.738 1
1 775 . 10 1 1 A 61 61 HIS CB C 61 33.995 33.106 0.889 1
1 776 . 10 1 1 A 61 61 HIS N N 61 124.046 127.368 -3.322 1
1 777 . 10 1 1 A 62 62 GLY H H 62 8.619 8.527 0.092 1
1 778 . 10 1 1 A 62 62 GLY HA2 H 62 4.014 3.712 0.302 1
1 779 . 10 1 1 A 62 62 GLY HA3 H 62 3.771 3.792 -0.021 1
1 780 . 10 1 1 A 62 62 GLY C C 62 176.300 174.677 1.623 1
1 781 . 10 1 1 A 62 62 GLY CA C 62 45.006 45.186 -0.180 1
1 782 . 10 1 1 A 62 62 GLY N N 62 114.965 114.453 0.512 1
1 783 . 10 1 1 A 63 63 THR H H 63 8.945 8.542 0.403 1
1 784 . 10 1 1 A 63 63 THR HA H 63 4.533 4.192 0.341 1
1 789 . 10 1 1 A 63 63 THR C C 63 175.200 174.647 0.553 1
1 790 . 10 1 1 A 63 63 THR CA C 63 61.793 64.184 -2.391 1
1 791 . 10 1 1 A 63 63 THR CB C 63 69.548 68.257 1.291 1
1 793 . 10 1 1 A 63 63 THR N N 63 111.112 114.082 -2.970 1
1 794 . 10 1 1 A 64 64 LYS H H 64 9.133 8.552 0.581 1
1 795 . 10 1 1 A 64 64 LYS HA H 64 4.588 4.320 0.268 1
1 802 . 10 1 1 A 64 64 LYS C C 64 175.500 176.446 -0.946 1
1 803 . 10 1 1 A 64 64 LYS CA C 64 55.231 56.010 -0.779 1
1 804 . 10 1 1 A 64 64 LYS CB C 64 32.452 31.960 0.492 1
1 807 . 10 1 1 A 64 64 LYS N N 64 122.500 125.581 -3.081 1
1 808 . 10 1 1 A 65 65 GLY H H 65 7.987 7.665 0.322 1
1 809 . 10 1 1 A 65 65 GLY HA2 H 65 4.500 4.165 0.335 1
1 810 . 10 1 1 A 65 65 GLY HA3 H 65 3.135 4.169 -1.034 1
1 811 . 10 1 1 A 65 65 GLY C C 65 171.300 172.592 -1.292 1
1 812 . 10 1 1 A 65 65 GLY CA C 65 44.920 45.937 -1.017 1
1 813 . 10 1 1 A 65 65 GLY N N 65 106.884 108.911 -2.027 1
1 814 . 10 1 1 A 66 66 ALA H H 66 7.671 8.359 -0.688 1
1 815 . 10 1 1 A 66 66 ALA HA H 66 4.911 4.418 0.493 1
1 819 . 10 1 1 A 66 66 ALA C C 66 177.400 176.738 0.662 1
1 820 . 10 1 1 A 66 66 ALA CA C 66 52.232 52.021 0.211 1
1 821 . 10 1 1 A 66 66 ALA CB C 66 18.719 20.053 -1.334 1
1 822 . 10 1 1 A 66 66 ALA N N 66 115.951 125.767 -9.816 1
1 823 . 10 1 1 A 67 67 VAL H H 67 8.951 8.726 0.225 1
1 824 . 10 1 1 A 67 67 VAL HA H 67 4.875 4.808 0.067 1
1 832 . 10 1 1 A 67 67 VAL C C 67 173.400 173.842 -0.442 1
1 833 . 10 1 1 A 67 67 VAL CA C 67 59.368 59.323 0.045 1
1 834 . 10 1 1 A 67 67 VAL CB C 67 36.262 36.152 0.110 1
1 837 . 10 1 1 A 67 67 VAL N N 67 108.601 111.428 -2.827 1
1 838 . 10 1 1 A 68 68 ARG H H 68 9.043 8.387 0.656 1
1 839 . 10 1 1 A 68 68 ARG HA H 68 5.179 4.695 0.484 1
1 846 . 10 1 1 A 68 68 ARG C C 68 175.000 175.315 -0.315 1
1 847 . 10 1 1 A 68 68 ARG CA C 68 54.632 55.515 -0.883 1
1 848 . 10 1 1 A 68 68 ARG CB C 68 32.597 31.361 1.236 1
1 851 . 10 1 1 A 68 68 ARG N N 68 118.441 123.770 -5.329 1
1 852 . 10 1 1 A 69 69 ALA H H 69 9.561 8.331 1.230 1
1 853 . 10 1 1 A 69 69 ALA HA H 69 5.409 5.049 0.360 1
1 857 . 10 1 1 A 69 69 ALA C C 69 174.400 175.338 -0.938 1
1 858 . 10 1 1 A 69 69 ALA CA C 69 49.830 50.895 -1.065 1
1 859 . 10 1 1 A 69 69 ALA CB C 69 23.932 24.028 -0.096 1
1 860 . 10 1 1 A 69 69 ALA N N 69 126.495 126.492 0.003 1
1 861 . 10 1 1 A 70 70 ARG H H 70 8.692 8.627 0.065 1
1 862 . 10 1 1 A 70 70 ARG HA H 70 5.169 5.076 0.093 1
1 869 . 10 1 1 A 70 70 ARG C C 70 175.700 174.818 0.882 1
1 870 . 10 1 1 A 70 70 ARG CA C 70 55.090 54.415 0.675 1
1 871 . 10 1 1 A 70 70 ARG CB C 70 33.544 33.601 -0.057 1
1 874 . 10 1 1 A 70 70 ARG N N 70 122.321 119.319 3.002 1
1 875 . 10 1 1 A 71 71 PHE H H 71 9.442 9.288 0.154 1
1 876 . 10 1 1 A 71 71 PHE HA H 71 4.859 5.055 -0.196 1
1 879 . 10 1 1 A 71 71 PHE C C 71 175.700 176.043 -0.343 1
1 880 . 10 1 1 A 71 71 PHE CA C 71 57.465 56.678 0.787 1
1 881 . 10 1 1 A 71 71 PHE CB C 71 41.819 40.282 1.537 1
1 882 . 10 1 1 A 71 71 PHE N N 71 128.794 123.331 5.463 1
1 883 . 10 1 1 A 72 72 GLU H H 72 8.968 8.987 -0.019 1
1 884 . 10 1 1 A 72 72 GLU HA H 72 4.242 4.279 -0.037 1
1 889 . 10 1 1 A 72 72 GLU C C 72 176.500 176.499 0.001 1
1 890 . 10 1 1 A 72 72 GLU CA C 72 58.604 57.921 0.683 1
1 891 . 10 1 1 A 72 72 GLU CB C 72 30.263 29.743 0.520 1
1 893 . 10 1 1 A 72 72 GLU N N 72 121.197 124.400 -3.203 1
1 894 . 10 1 1 A 73 73 LYS H H 73 8.123 8.120 0.003 1
1 895 . 10 1 1 A 73 73 LYS HA H 73 4.514 4.694 -0.180 1
1 904 . 10 1 1 A 73 73 LYS C C 73 175.300 177.392 -2.092 1
1 905 . 10 1 1 A 73 73 LYS CA C 73 54.839 57.402 -2.563 1
1 906 . 10 1 1 A 73 73 LYS CB C 73 34.555 35.554 -0.999 1
1 910 . 10 1 1 A 73 73 LYS N N 73 117.266 120.388 -3.122 1
1 911 . 10 1 1 A 74 74 GLY H H 74 8.138 8.126 0.012 1
1 912 . 10 1 1 A 74 74 GLY HA2 H 74 3.733 4.005 -0.272 1
1 913 . 10 1 1 A 74 74 GLY HA3 H 74 3.734 4.164 -0.430 1
1 914 . 10 1 1 A 74 74 GLY C C 74 173.300 173.182 0.118 1
1 915 . 10 1 1 A 74 74 GLY CA C 74 45.289 46.950 -1.661 1
1 916 . 10 1 1 A 74 74 GLY N N 74 105.973 107.256 -1.283 1
1 917 . 10 1 1 A 75 75 LEU H H 75 7.924 8.989 -1.065 1
1 918 . 10 1 1 A 75 75 LEU HA H 75 4.337 4.863 -0.526 1
1 928 . 10 1 1 A 75 75 LEU CA C 75 52.387 51.917 0.470 1
1 929 . 10 1 1 A 75 75 LEU CB C 75 41.391 43.603 -2.212 1
1 933 . 10 1 1 A 75 75 LEU N N 75 122.540 121.726 0.814 1
1 934 . 10 1 1 A 76 76 PRO HA H 76 4.527 4.378 0.149 1
1 941 . 10 1 1 A 76 76 PRO C C 76 176.700 177.566 -0.866 1
1 942 . 10 1 1 A 76 76 PRO CA C 76 62.467 65.670 -3.203 1
1 943 . 10 1 1 A 76 76 PRO CB C 76 32.055 31.326 0.729 1
1 946 . 10 1 1 A 77 77 GLY H H 77 8.346 7.531 0.815 1
1 947 . 10 1 1 A 77 77 GLY HA2 H 77 3.912 4.057 -0.145 1
1 948 . 10 1 1 A 77 77 GLY HA3 H 77 3.836 4.082 -0.246 1
1 949 . 10 1 1 A 77 77 GLY C C 77 174.900 173.852 1.048 1
1 950 . 10 1 1 A 77 77 GLY CA C 77 46.447 45.420 1.027 1
1 951 . 10 1 1 A 77 77 GLY N N 77 107.966 105.357 2.609 1
1 952 . 10 1 1 A 78 78 GLN H H 78 8.226 7.603 0.623 1
1 953 . 10 1 1 A 78 78 GLN HA H 78 4.244 4.597 -0.353 1
1 960 . 10 1 1 A 78 78 GLN C C 78 175.500 174.353 1.147 1
1 961 . 10 1 1 A 78 78 GLN CA C 78 57.091 55.945 1.146 1
1 962 . 10 1 1 A 78 78 GLN CB C 78 28.933 30.764 -1.831 1
1 964 . 10 1 1 A 78 78 GLN N N 78 118.286 119.378 -1.092 1
1 966 . 10 1 1 A 79 79 ALA H H 79 7.890 8.335 -0.445 1
1 967 . 10 1 1 A 79 79 ALA HA H 79 4.211 4.756 -0.545 1
1 971 . 10 1 1 A 79 79 ALA C C 79 177.100 177.068 0.032 1
1 972 . 10 1 1 A 79 79 ALA CA C 79 52.573 51.186 1.387 1
1 973 . 10 1 1 A 79 79 ALA CB C 79 19.067 20.261 -1.194 1
1 974 . 10 1 1 A 79 79 ALA N N 79 122.012 127.705 -5.693 1
1 975 . 10 1 1 A 80 80 LEU H H 80 7.340 7.556 -0.216 1
1 976 . 10 1 1 A 80 80 LEU HA H 80 3.548 4.082 -0.534 1
1 986 . 10 1 1 A 80 80 LEU C C 80 178.200 177.493 0.707 1
1 987 . 10 1 1 A 80 80 LEU CA C 80 57.059 55.539 1.520 1
1 988 . 10 1 1 A 80 80 LEU CB C 80 41.010 42.048 -1.038 1
1 992 . 10 1 1 A 80 80 LEU N N 80 117.413 120.333 -2.920 1
1 993 . 10 1 1 A 81 81 GLY H H 81 8.704 8.727 -0.023 1
1 994 . 10 1 1 A 81 81 GLY HA2 H 81 3.477 4.008 -0.531 1
1 995 . 10 1 1 A 81 81 GLY HA3 H 81 4.176 4.020 0.156 1
1 996 . 10 1 1 A 81 81 GLY C C 81 173.200 174.437 -1.237 1
1 997 . 10 1 1 A 81 81 GLY CA C 81 45.500 45.104 0.396 1
1 998 . 10 1 1 A 81 81 GLY N N 81 113.076 113.874 -0.798 1
1 999 . 10 1 1 A 82 82 ASP H H 82 8.092 8.026 0.066 1
1 1000 . 10 1 1 A 82 82 ASP HA H 82 4.711 4.832 -0.121 1
1 1003 . 10 1 1 A 82 82 ASP C C 82 175.400 175.850 -0.450 1
1 1004 . 10 1 1 A 82 82 ASP CA C 82 53.447 54.942 -1.495 1
1 1005 . 10 1 1 A 82 82 ASP CB C 82 42.306 41.390 0.916 1
1 1006 . 10 1 1 A 82 82 ASP N N 82 120.648 121.883 -1.235 1
1 1007 . 10 1 1 A 83 83 TYR H H 83 8.637 8.729 -0.092 1
1 1008 . 10 1 1 A 83 83 TYR HA H 83 5.725 4.578 1.147 1
1 1011 . 10 1 1 A 83 83 TYR C C 83 176.800 176.055 0.745 1
1 1012 . 10 1 1 A 83 83 TYR CA C 83 57.359 59.407 -2.048 1
1 1013 . 10 1 1 A 83 83 TYR CB C 83 40.594 39.270 1.324 1
1 1014 . 10 1 1 A 83 83 TYR N N 83 117.015 122.019 -5.004 1
1 1015 . 10 1 1 A 84 84 VAL H H 84 8.747 8.424 0.323 1
1 1016 . 10 1 1 A 84 84 VAL HA H 84 5.006 4.828 0.178 1
1 1024 . 10 1 1 A 84 84 VAL C C 84 175.200 174.962 0.238 1
1 1025 . 10 1 1 A 84 84 VAL CA C 84 58.855 60.344 -1.489 1
1 1026 . 10 1 1 A 84 84 VAL CB C 84 35.371 33.246 2.125 1
1 1029 . 10 1 1 A 84 84 VAL N N 84 111.283 119.123 -7.840 1
1 1030 . 10 1 1 A 85 85 GLU H H 85 8.384 8.888 -0.504 1
1 1031 . 10 1 1 A 85 85 GLU HA H 85 5.129 5.301 -0.172 1
1 1036 . 10 1 1 A 85 85 GLU C C 85 174.900 175.233 -0.333 1
1 1037 . 10 1 1 A 85 85 GLU CA C 85 55.209 54.842 0.367 1
1 1038 . 10 1 1 A 85 85 GLU CB C 85 33.531 34.452 -0.921 1
1 1040 . 10 1 1 A 85 85 GLU N N 85 118.476 120.687 -2.211 1
1 1041 . 10 1 1 A 86 86 ILE H H 86 9.344 8.841 0.503 1
1 1042 . 10 1 1 A 86 86 ILE HA H 86 4.951 4.590 0.361 1
1 1052 . 10 1 1 A 86 86 ILE C C 86 176.000 175.338 0.662 1
1 1053 . 10 1 1 A 86 86 ILE CA C 86 60.535 60.517 0.018 1
1 1054 . 10 1 1 A 86 86 ILE CB C 86 39.154 37.563 1.591 1
1 1058 . 10 1 1 A 86 86 ILE N N 86 124.495 123.283 1.212 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 82 0.866 1
2 1 1 1 "RMS(OBS, PRED)" CA 85 1.065 1
3 1 1 1 "RMS(OBS, PRED)" CB 76 1.287 1
4 1 1 1 "RMS(OBS, PRED)" H 81 0.452 1
5 1 1 1 "RMS(OBS, PRED)" HA 94 0.405 1
6 1 1 1 "RMS(OBS, PRED)" N 81 3.503 1
7 1 2 1 "RMS(OBS, PRED)" C 82 0.945 1
8 1 2 1 "RMS(OBS, PRED)" CA 85 1.097 1
9 1 2 1 "RMS(OBS, PRED)" CB 76 1.200 1
10 1 2 1 "RMS(OBS, PRED)" H 81 0.455 1
11 1 2 1 "RMS(OBS, PRED)" HA 94 0.394 1
12 1 2 1 "RMS(OBS, PRED)" N 81 3.839 1
13 1 3 1 "RMS(OBS, PRED)" C 82 0.936 1
14 1 3 1 "RMS(OBS, PRED)" CA 85 1.002 1
15 1 3 1 "RMS(OBS, PRED)" CB 76 1.402 1
16 1 3 1 "RMS(OBS, PRED)" H 81 0.459 1
17 1 3 1 "RMS(OBS, PRED)" HA 94 0.392 1
18 1 3 1 "RMS(OBS, PRED)" N 81 3.682 1
19 1 4 1 "RMS(OBS, PRED)" C 82 0.971 1
20 1 4 1 "RMS(OBS, PRED)" CA 85 1.041 1
21 1 4 1 "RMS(OBS, PRED)" CB 76 1.445 1
22 1 4 1 "RMS(OBS, PRED)" H 81 0.489 1
23 1 4 1 "RMS(OBS, PRED)" HA 94 0.385 1
24 1 4 1 "RMS(OBS, PRED)" N 81 3.286 1
25 1 5 1 "RMS(OBS, PRED)" C 82 0.966 1
26 1 5 1 "RMS(OBS, PRED)" CA 85 1.053 1
27 1 5 1 "RMS(OBS, PRED)" CB 76 1.336 1
28 1 5 1 "RMS(OBS, PRED)" H 81 0.428 1
29 1 5 1 "RMS(OBS, PRED)" HA 94 0.385 1
30 1 5 1 "RMS(OBS, PRED)" N 81 3.535 1
31 1 6 1 "RMS(OBS, PRED)" C 82 0.992 1
32 1 6 1 "RMS(OBS, PRED)" CA 85 1.040 1
33 1 6 1 "RMS(OBS, PRED)" CB 76 1.196 1
34 1 6 1 "RMS(OBS, PRED)" H 81 0.483 1
35 1 6 1 "RMS(OBS, PRED)" HA 94 0.404 1
36 1 6 1 "RMS(OBS, PRED)" N 81 3.581 1
37 1 7 1 "RMS(OBS, PRED)" C 82 0.933 1
38 1 7 1 "RMS(OBS, PRED)" CA 85 1.061 1
39 1 7 1 "RMS(OBS, PRED)" CB 76 1.311 1
40 1 7 1 "RMS(OBS, PRED)" H 81 0.424 1
41 1 7 1 "RMS(OBS, PRED)" HA 94 0.378 1
42 1 7 1 "RMS(OBS, PRED)" N 81 3.293 1
43 1 8 1 "RMS(OBS, PRED)" C 82 0.925 1
44 1 8 1 "RMS(OBS, PRED)" CA 85 1.126 1
45 1 8 1 "RMS(OBS, PRED)" CB 76 1.277 1
46 1 8 1 "RMS(OBS, PRED)" H 81 0.501 1
47 1 8 1 "RMS(OBS, PRED)" HA 94 0.384 1
48 1 8 1 "RMS(OBS, PRED)" N 81 3.359 1
49 1 9 1 "RMS(OBS, PRED)" C 82 0.968 1
50 1 9 1 "RMS(OBS, PRED)" CA 85 1.068 1
51 1 9 1 "RMS(OBS, PRED)" CB 76 1.408 1
52 1 9 1 "RMS(OBS, PRED)" H 81 0.472 1
53 1 9 1 "RMS(OBS, PRED)" HA 94 0.390 1
54 1 9 1 "RMS(OBS, PRED)" N 81 3.535 1
55 1 10 1 "RMS(OBS, PRED)" C 82 0.886 1
56 1 10 1 "RMS(OBS, PRED)" CA 85 1.030 1
57 1 10 1 "RMS(OBS, PRED)" CB 76 1.327 1
58 1 10 1 "RMS(OBS, PRED)" H 81 0.468 1
59 1 10 1 "RMS(OBS, PRED)" HA 94 0.412 1
60 1 10 1 "RMS(OBS, PRED)" N 81 3.289 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 ARG HA H 2 5.159 4.857 0.302 2
1 8 . 1 1 A 2 2 ARG C C 2 175.500 175.296 0.204 2
1 9 . 1 1 A 2 2 ARG CA C 2 55.183 54.871 0.312 2
1 10 . 1 1 A 2 2 ARG CB C 2 32.737 32.572 0.165 2
1 13 . 1 1 A 3 3 ILE H H 3 8.800 8.562 0.239 2
1 14 . 1 1 A 3 3 ILE HA H 3 4.674 4.863 -0.189 2
1 24 . 1 1 A 3 3 ILE C C 3 175.000 174.430 0.570 2
1 25 . 1 1 A 3 3 ILE CA C 3 60.050 59.679 0.371 2
1 26 . 1 1 A 3 3 ILE CB C 3 41.249 42.432 -1.183 2
1 30 . 1 1 A 3 3 ILE N N 3 119.700 120.619 -0.919 2
1 31 . 1 1 A 4 4 LYS H H 4 8.864 8.827 0.037 2
1 32 . 1 1 A 4 4 LYS HA H 4 5.180 5.271 -0.091 2
1 41 . 1 1 A 4 4 LYS C C 4 176.800 175.338 1.462 2
1 42 . 1 1 A 4 4 LYS CA C 4 55.798 54.999 0.799 2
1 43 . 1 1 A 4 4 LYS CB C 4 35.471 35.073 0.398 2
1 47 . 1 1 A 4 4 LYS N N 4 123.785 122.457 1.328 2
1 48 . 1 1 A 5 5 GLY H H 5 8.662 8.757 -0.095 2
1 49 . 1 1 A 5 5 GLY HA2 H 5 3.122 4.182 -1.060 2
1 50 . 1 1 A 5 5 GLY HA3 H 5 5.139 4.205 0.934 2
1 51 . 1 1 A 5 5 GLY C C 5 170.800 172.143 -1.343 2
1 52 . 1 1 A 5 5 GLY CA C 5 44.967 44.695 0.272 2
1 53 . 1 1 A 5 5 GLY N N 5 107.023 109.172 -2.149 2
1 54 . 1 1 A 6 6 VAL H H 6 8.168 8.286 -0.118 2
1 55 . 1 1 A 6 6 VAL HA H 6 4.936 4.375 0.561 2
1 63 . 1 1 A 6 6 VAL C C 6 175.100 174.714 0.386 2
1 64 . 1 1 A 6 6 VAL CA C 6 60.066 60.348 -0.282 2
1 65 . 1 1 A 6 6 VAL CB C 6 35.501 35.439 0.062 2
1 68 . 1 1 A 6 6 VAL N N 6 118.930 119.572 -0.642 2
1 69 . 1 1 A 7 7 VAL H H 7 8.663 8.792 -0.129 2
1 70 . 1 1 A 7 7 VAL HA H 7 3.771 4.061 -0.290 2
1 78 . 1 1 A 7 7 VAL C C 7 176.020 175.610 0.410 2
1 79 . 1 1 A 7 7 VAL CA C 7 63.861 62.942 0.919 2
1 80 . 1 1 A 7 7 VAL CB C 7 31.549 32.051 -0.502 2
1 83 . 1 1 A 7 7 VAL N N 7 126.733 126.538 0.195 2
1 84 . 1 1 A 8 8 LEU H H 8 9.077 8.689 0.388 2
1 85 . 1 1 A 8 8 LEU HA H 8 4.396 4.422 -0.026 2
1 95 . 1 1 A 8 8 LEU C C 8 177.000 176.633 0.367 2
1 96 . 1 1 A 8 8 LEU CA C 8 55.871 55.770 0.101 2
1 97 . 1 1 A 8 8 LEU CB C 8 43.337 43.090 0.247 2
1 101 . 1 1 A 8 8 LEU N N 8 128.947 126.782 2.165 2
1 102 . 1 1 A 9 9 SER H H 9 7.409 7.658 -0.249 2
1 103 . 1 1 A 9 9 SER HA H 9 4.347 4.812 -0.465 2
1 106 . 1 1 A 9 9 SER C C 9 172.900 171.929 0.971 2
1 107 . 1 1 A 9 9 SER CA C 9 57.866 57.669 0.197 2
1 108 . 1 1 A 9 9 SER CB C 9 64.173 65.955 -1.782 2
1 109 . 1 1 A 9 9 SER N N 9 108.469 110.389 -1.920 2
1 110 . 1 1 A 10 10 TYR H H 10 8.464 8.970 -0.506 2
1 111 . 1 1 A 10 10 TYR HA H 10 5.064 5.087 -0.023 2
1 114 . 1 1 A 10 10 TYR C C 10 175.400 174.299 1.101 2
1 115 . 1 1 A 10 10 TYR CA C 10 57.258 56.623 0.635 2
1 116 . 1 1 A 10 10 TYR CB C 10 40.325 40.258 0.067 2
1 117 . 1 1 A 10 10 TYR N N 10 121.190 126.594 -5.404 2
1 118 . 1 1 A 11 11 ARG H H 11 8.545 8.524 0.021 2
1 119 . 1 1 A 11 11 ARG HA H 11 4.441 4.529 -0.088 2
1 126 . 1 1 A 11 11 ARG C C 11 174.800 175.513 -0.713 2
1 127 . 1 1 A 11 11 ARG CA C 11 55.308 55.411 -0.104 2
1 128 . 1 1 A 11 11 ARG CB C 11 31.551 31.501 0.050 2
1 131 . 1 1 A 11 11 ARG N N 11 124.044 126.846 -2.802 2
1 132 . 1 1 A 12 12 ARG H H 12 8.562 8.466 0.096 2
1 133 . 1 1 A 12 12 ARG HA H 12 4.577 4.441 0.136 2
1 140 . 1 1 A 12 12 ARG C C 12 176.100 175.567 0.533 2
1 141 . 1 1 A 12 12 ARG CA C 12 55.803 55.142 0.661 2
1 142 . 1 1 A 12 12 ARG CB C 12 31.265 29.669 1.596 2
1 145 . 1 1 A 12 12 ARG N N 12 124.990 124.607 0.383 2
1 146 . 1 1 A 13 13 SER H H 13 8.485 8.221 0.264 2
1 147 . 1 1 A 13 13 SER HA H 13 4.542 4.380 0.162 2
1 150 . 1 1 A 13 13 SER C C 13 175.000 174.004 0.996 2
1 151 . 1 1 A 13 13 SER CA C 13 57.790 58.912 -1.122 2
1 152 . 1 1 A 13 13 SER CB C 13 64.666 63.353 1.313 2
1 153 . 1 1 A 13 13 SER N N 13 118.058 118.080 -0.022 2
1 154 . 1 1 A 14 14 LYS H H 14 8.663 8.579 0.084 2
1 155 . 1 1 A 14 14 LYS HA H 14 4.178 4.329 -0.151 2
1 164 . 1 1 A 14 14 LYS C C 14 177.400 176.679 0.721 2
1 165 . 1 1 A 14 14 LYS CA C 14 57.997 57.638 0.359 2
1 166 . 1 1 A 14 14 LYS CB C 14 32.686 32.981 -0.295 2
1 170 . 1 1 A 14 14 LYS N N 14 123.187 123.522 -0.335 2
1 171 . 1 1 A 15 15 GLU H H 15 8.525 8.287 0.238 2
1 172 . 1 1 A 15 15 GLU HA H 15 4.217 4.339 -0.122 2
1 177 . 1 1 A 15 15 GLU C C 15 176.300 176.141 0.159 2
1 178 . 1 1 A 15 15 GLU CA C 15 57.504 57.137 0.367 2
1 179 . 1 1 A 15 15 GLU CB C 15 29.654 30.133 -0.479 2
1 181 . 1 1 A 15 15 GLU N N 15 118.364 118.688 -0.323 2
1 182 . 1 1 A 16 16 ASN H H 16 7.985 8.429 -0.444 2
1 183 . 1 1 A 16 16 ASN HA H 16 4.690 4.696 -0.006 2
1 188 . 1 1 A 16 16 ASN C C 16 175.100 175.049 0.051 2
1 189 . 1 1 A 16 16 ASN CA C 16 53.363 53.629 -0.266 2
1 190 . 1 1 A 16 16 ASN CB C 16 39.022 38.759 0.263 2
1 191 . 1 1 A 16 16 ASN N N 16 117.467 117.365 0.102 2
1 193 . 1 1 A 17 17 GLN H H 17 8.384 8.715 -0.331 2
1 194 . 1 1 A 17 17 GLN HA H 17 4.256 4.358 -0.102 2
1 201 . 1 1 A 17 17 GLN C C 17 175.800 175.684 0.116 2
1 202 . 1 1 A 17 17 GLN CA C 17 56.678 56.428 0.250 2
1 203 . 1 1 A 17 17 GLN CB C 17 29.071 29.149 -0.078 2
1 205 . 1 1 A 17 17 GLN N N 17 119.788 121.578 -1.790 2
1 207 . 1 1 A 18 18 HIS H H 18 8.209 8.056 0.153 2
1 208 . 1 1 A 18 18 HIS HA H 18 4.683 4.763 -0.080 2
1 211 . 1 1 A 18 18 HIS C C 18 175.080 174.745 0.335 2
1 212 . 1 1 A 18 18 HIS CA C 18 55.839 55.821 0.018 2
1 213 . 1 1 A 18 18 HIS CB C 18 30.460 31.812 -1.352 2
1 214 . 1 1 A 18 18 HIS N N 18 117.984 120.547 -2.563 2
1 215 . 1 1 A 19 19 ASN H H 19 8.430 8.041 0.389 2
1 216 . 1 1 A 19 19 ASN HA H 19 4.813 4.670 0.143 2
1 221 . 1 1 A 19 19 ASN C C 19 174.300 174.283 0.017 2
1 222 . 1 1 A 19 19 ASN CA C 19 53.172 53.691 -0.519 2
1 223 . 1 1 A 19 19 ASN CB C 19 38.503 38.672 -0.169 2
1 224 . 1 1 A 19 19 ASN N N 19 122.300 117.062 5.238 2
1 226 . 1 1 A 20 20 ASN H H 20 8.353 8.433 -0.080 2
1 227 . 1 1 A 20 20 ASN HA H 20 4.828 4.995 -0.167 2
1 232 . 1 1 A 20 20 ASN C C 20 174.000 174.599 -0.599 2
1 233 . 1 1 A 20 20 ASN CA C 20 53.292 53.076 0.216 2
1 234 . 1 1 A 20 20 ASN CB C 20 38.896 39.666 -0.770 2
1 235 . 1 1 A 20 20 ASN N N 20 117.387 119.129 -1.742 2
1 237 . 1 1 A 21 21 VAL H H 21 8.285 8.616 -0.331 2
1 238 . 1 1 A 21 21 VAL HA H 21 5.090 4.867 0.223 2
1 246 . 1 1 A 21 21 VAL C C 21 174.900 174.737 0.163 2
1 247 . 1 1 A 21 21 VAL CA C 21 61.409 60.553 0.856 2
1 248 . 1 1 A 21 21 VAL CB C 21 33.979 34.271 -0.292 2
1 251 . 1 1 A 21 21 VAL N N 21 120.718 124.245 -3.527 2
1 252 . 1 1 A 22 22 MET H H 22 9.083 8.662 0.421 2
1 253 . 1 1 A 22 22 MET HA H 22 5.073 5.012 0.061 2
1 258 . 1 1 A 22 22 MET C C 22 174.600 174.243 0.357 2
1 259 . 1 1 A 22 22 MET CA C 22 53.096 54.251 -1.155 2
1 260 . 1 1 A 22 22 MET CB C 22 36.612 35.834 0.778 2
1 262 . 1 1 A 22 22 MET N N 22 123.693 122.941 0.752 2
1 263 . 1 1 A 23 23 ILE H H 23 8.761 8.688 0.073 2
1 264 . 1 1 A 23 23 ILE HA H 23 4.738 4.801 -0.063 2
1 274 . 1 1 A 23 23 ILE C C 23 175.500 175.169 0.331 2
1 275 . 1 1 A 23 23 ILE CA C 23 59.230 60.519 -1.289 2
1 276 . 1 1 A 23 23 ILE CB C 23 36.022 38.982 -2.960 2
1 280 . 1 1 A 23 23 ILE N N 23 123.898 124.883 -0.985 2
1 281 . 1 1 A 24 24 ILE H H 24 9.048 8.815 0.233 2
1 282 . 1 1 A 24 24 ILE HA H 24 4.881 4.862 0.019 2
1 292 . 1 1 A 24 24 ILE C C 24 174.200 175.021 -0.821 2
1 293 . 1 1 A 24 24 ILE CA C 24 58.256 59.550 -1.294 2
1 294 . 1 1 A 24 24 ILE CB C 24 42.799 42.312 0.487 2
1 298 . 1 1 A 24 24 ILE N N 24 126.877 127.258 -0.381 2
1 299 . 1 1 A 25 25 LYS H H 25 9.205 8.494 0.711 2
1 300 . 1 1 A 25 25 LYS HA H 25 5.109 4.835 0.274 2
1 305 . 1 1 A 25 25 LYS CA C 25 50.908 52.938 -2.030 2
1 306 . 1 1 A 25 25 LYS CB C 25 34.893 35.210 -0.317 2
1 307 . 1 1 A 25 25 LYS N N 25 127.192 126.092 1.100 2
1 308 . 1 1 A 26 26 PRO HA H 26 4.823 4.545 0.278 2
1 315 . 1 1 A 26 26 PRO C C 26 177.300 177.436 -0.136 2
1 316 . 1 1 A 26 26 PRO CA C 26 61.185 62.513 -1.328 2
1 317 . 1 1 A 26 26 PRO CB C 26 30.625 30.847 -0.222 2
1 320 . 1 1 A 27 27 LEU H H 27 8.861 8.691 0.170 2
1 321 . 1 1 A 27 27 LEU HA H 27 4.101 4.039 0.062 2
1 331 . 1 1 A 27 27 LEU C C 27 177.800 177.278 0.522 2
1 332 . 1 1 A 27 27 LEU CA C 27 57.590 57.820 -0.230 2
1 333 . 1 1 A 27 27 LEU CB C 27 40.721 41.850 -1.129 2
1 337 . 1 1 A 27 27 LEU N N 27 127.814 123.810 4.004 2
1 338 . 1 1 A 28 28 ASP H H 28 8.818 8.171 0.647 2
1 339 . 1 1 A 28 28 ASP HA H 28 4.477 4.583 -0.106 2
1 342 . 1 1 A 28 28 ASP C C 28 174.500 176.654 -2.154 2
1 343 . 1 1 A 28 28 ASP CA C 28 55.417 55.922 -0.505 2
1 344 . 1 1 A 28 28 ASP CB C 28 40.527 41.342 -0.815 2
1 345 . 1 1 A 28 28 ASP N N 28 114.920 118.806 -3.886 2
1 346 . 1 1 A 29 29 VAL H H 29 7.004 7.912 -0.908 2
1 347 . 1 1 A 29 29 VAL HA H 29 4.164 3.735 0.429 2
1 355 . 1 1 A 29 29 VAL C C 29 175.600 175.974 -0.374 2
1 356 . 1 1 A 29 29 VAL CA C 29 62.553 63.051 -0.498 2
1 357 . 1 1 A 29 29 VAL CB C 29 32.711 29.739 2.971 2
1 360 . 1 1 A 29 29 VAL N N 29 119.689 116.969 2.720 2
1 361 . 1 1 A 30 30 ASN H H 30 8.802 8.389 0.413 2
1 362 . 1 1 A 30 30 ASN HA H 30 5.409 4.979 0.430 2
1 367 . 1 1 A 30 30 ASN C C 30 173.400 174.370 -0.971 2
1 368 . 1 1 A 30 30 ASN CA C 30 53.262 53.093 0.169 2
1 369 . 1 1 A 30 30 ASN CB C 30 41.186 37.970 3.216 2
1 370 . 1 1 A 30 30 ASN N N 30 122.479 118.597 3.882 2
1 372 . 1 1 A 31 31 SER H H 31 7.329 7.591 -0.262 2
1 373 . 1 1 A 31 31 SER HA H 31 4.878 4.771 0.107 2
1 376 . 1 1 A 31 31 SER C C 31 173.700 174.331 -0.631 2
1 377 . 1 1 A 31 31 SER CA C 31 56.428 57.423 -0.995 2
1 378 . 1 1 A 31 31 SER CB C 31 67.086 65.887 1.199 2
1 379 . 1 1 A 31 31 SER N N 31 109.583 113.437 -3.854 2
1 380 . 1 1 A 32 32 ARG H H 32 8.688 8.779 -0.091 2
1 381 . 1 1 A 32 32 ARG HA H 32 4.229 3.998 0.231 2
1 388 . 1 1 A 32 32 ARG C C 32 178.300 177.586 0.714 2
1 389 . 1 1 A 32 32 ARG CA C 32 58.914 59.432 -0.518 2
1 390 . 1 1 A 32 32 ARG CB C 32 30.785 29.904 0.881 2
1 393 . 1 1 A 32 32 ARG N N 32 123.538 126.419 -2.881 2
1 394 . 1 1 A 33 33 GLU H H 33 9.157 8.299 0.858 2
1 395 . 1 1 A 33 33 GLU HA H 33 4.012 4.095 -0.083 2
1 400 . 1 1 A 33 33 GLU C C 33 179.900 179.045 0.855 2
1 401 . 1 1 A 33 33 GLU CA C 33 60.615 59.256 1.359 2
1 402 . 1 1 A 33 33 GLU CB C 33 28.895 29.183 -0.288 2
1 404 . 1 1 A 33 33 GLU N N 33 120.517 119.009 1.508 2
1 405 . 1 1 A 34 34 GLU H H 34 7.623 8.077 -0.454 2
1 406 . 1 1 A 34 34 GLU HA H 34 4.096 4.070 0.026 2
1 411 . 1 1 A 34 34 GLU C C 34 179.100 178.833 0.267 2
1 412 . 1 1 A 34 34 GLU CA C 34 58.647 59.068 -0.420 2
1 413 . 1 1 A 34 34 GLU CB C 34 30.874 29.622 1.252 2
1 415 . 1 1 A 34 34 GLU N N 34 118.275 119.626 -1.351 2
1 416 . 1 1 A 35 35 ALA H H 35 8.131 8.642 -0.511 2
1 417 . 1 1 A 35 35 ALA HA H 35 3.828 4.096 -0.268 2
1 421 . 1 1 A 35 35 ALA C C 35 179.800 179.716 0.084 2
1 422 . 1 1 A 35 35 ALA CA C 35 55.337 55.248 0.089 2
1 423 . 1 1 A 35 35 ALA CB C 35 18.361 18.628 -0.267 2
1 424 . 1 1 A 35 35 ALA N N 35 123.551 122.883 0.668 2
1 425 . 1 1 A 36 36 SER H H 36 8.279 8.781 -0.502 2
1 426 . 1 1 A 36 36 SER HA H 36 3.875 4.150 -0.275 2
1 429 . 1 1 A 36 36 SER C C 36 176.100 176.644 -0.544 2
1 430 . 1 1 A 36 36 SER CA C 36 61.573 61.178 0.395 2
1 431 . 1 1 A 36 36 SER CB C 36 63.126 62.982 0.144 2
1 432 . 1 1 A 36 36 SER N N 36 112.905 113.219 -0.314 2
1 433 . 1 1 A 37 37 LYS H H 37 7.120 7.775 -0.655 2
1 434 . 1 1 A 37 37 LYS HA H 37 4.203 4.066 0.137 2
1 443 . 1 1 A 37 37 LYS C C 37 177.100 179.011 -1.911 2
1 444 . 1 1 A 37 37 LYS CA C 37 57.553 59.212 -1.659 2
1 445 . 1 1 A 37 37 LYS CB C 37 32.178 32.264 -0.086 2
1 449 . 1 1 A 37 37 LYS N N 37 119.081 121.371 -2.289 2
1 450 . 1 1 A 38 38 LEU H H 38 7.877 7.829 0.048 2
1 451 . 1 1 A 38 38 LEU HA H 38 4.138 4.293 -0.155 2
1 461 . 1 1 A 38 38 LEU C C 38 176.400 177.693 -1.293 2
1 462 . 1 1 A 38 38 LEU CA C 38 54.225 55.899 -1.674 2
1 463 . 1 1 A 38 38 LEU CB C 38 42.192 41.421 0.771 2
1 467 . 1 1 A 38 38 LEU N N 38 115.729 117.240 -1.511 2
1 468 . 1 1 A 39 39 ILE H H 39 6.958 7.388 -0.430 2
1 469 . 1 1 A 39 39 ILE HA H 39 3.252 3.837 -0.585 2
1 479 . 1 1 A 39 39 ILE C C 39 177.100 177.165 -0.064 2
1 480 . 1 1 A 39 39 ILE CA C 39 63.952 64.100 -0.148 2
1 481 . 1 1 A 39 39 ILE CB C 39 36.338 37.638 -1.300 2
1 485 . 1 1 A 39 39 ILE N N 39 118.446 121.099 -2.653 2
1 486 . 1 1 A 40 40 GLY H H 40 8.877 8.424 0.453 2
1 487 . 1 1 A 40 40 GLY HA2 H 40 4.518 3.963 0.555 2
1 488 . 1 1 A 40 40 GLY HA3 H 40 3.611 3.968 -0.357 2
1 489 . 1 1 A 40 40 GLY C C 40 174.600 174.170 0.430 2
1 490 . 1 1 A 40 40 GLY CA C 40 44.763 45.182 -0.419 2
1 491 . 1 1 A 40 40 GLY N N 40 115.966 112.611 3.355 2
1 492 . 1 1 A 41 41 ARG H H 41 7.939 7.991 -0.052 2
1 493 . 1 1 A 41 41 ARG HA H 41 4.481 4.392 0.089 2
1 500 . 1 1 A 41 41 ARG C C 41 175.000 174.881 0.119 2
1 501 . 1 1 A 41 41 ARG CA C 41 56.298 55.969 0.329 2
1 502 . 1 1 A 41 41 ARG CB C 41 30.619 31.847 -1.228 2
1 505 . 1 1 A 41 41 ARG N N 41 118.629 121.366 -2.737 2
1 506 . 1 1 A 42 42 LEU H H 42 8.400 8.512 -0.112 2
1 507 . 1 1 A 42 42 LEU HA H 42 4.773 4.839 -0.066 2
1 517 . 1 1 A 42 42 LEU C C 42 175.200 175.448 -0.248 2
1 518 . 1 1 A 42 42 LEU CA C 42 54.561 53.858 0.703 2
1 519 . 1 1 A 42 42 LEU CB C 42 44.111 44.101 0.010 2
1 523 . 1 1 A 42 42 LEU N N 42 121.347 124.910 -3.563 2
1 524 . 1 1 A 43 43 VAL H H 43 8.189 8.631 -0.442 2
1 525 . 1 1 A 43 43 VAL HA H 43 5.045 4.705 0.340 2
1 533 . 1 1 A 43 43 VAL C C 43 173.800 174.590 -0.790 2
1 534 . 1 1 A 43 43 VAL CA C 43 59.401 61.181 -1.780 2
1 535 . 1 1 A 43 43 VAL CB C 43 34.438 33.016 1.422 2
1 538 . 1 1 A 43 43 VAL N N 43 120.875 123.265 -2.390 2
1 539 . 1 1 A 44 44 LEU H H 44 9.320 8.971 0.349 2
1 540 . 1 1 A 44 44 LEU HA H 44 5.371 5.141 0.230 2
1 550 . 1 1 A 44 44 LEU C C 44 176.600 175.111 1.489 2
1 551 . 1 1 A 44 44 LEU CA C 44 53.600 53.525 0.075 2
1 552 . 1 1 A 44 44 LEU CB C 44 44.381 43.559 0.822 2
1 556 . 1 1 A 44 44 LEU N N 44 124.820 128.433 -3.613 2
1 557 . 1 1 A 45 45 TRP H H 45 9.251 8.960 0.291 2
1 558 . 1 1 A 45 45 TRP HA H 45 5.023 5.177 -0.154 2
1 561 . 1 1 A 45 45 TRP C C 45 173.100 175.203 -2.103 2
1 562 . 1 1 A 45 45 TRP CA C 45 57.182 55.753 1.429 2
1 563 . 1 1 A 45 45 TRP CB C 45 31.353 31.212 0.141 2
1 564 . 1 1 A 45 45 TRP N N 45 125.368 129.558 -4.190 2
1 565 . 1 1 A 46 46 LYS H H 46 8.064 8.498 -0.434 2
1 566 . 1 1 A 46 46 LYS HA H 46 4.314 4.363 -0.049 2
1 575 . 1 1 A 46 46 LYS C C 46 173.800 175.397 -1.597 2
1 576 . 1 1 A 46 46 LYS CA C 46 55.132 55.491 -0.359 2
1 577 . 1 1 A 46 46 LYS CB C 46 32.714 32.655 0.059 2
1 580 . 1 1 A 46 46 LYS N N 46 129.540 127.967 1.573 2
1 581 . 1 1 A 47 47 SER H H 47 8.208 7.953 0.255 2
1 582 . 1 1 A 47 47 SER HA H 47 3.245 3.979 -0.734 2
1 585 . 1 1 A 47 47 SER CA C 47 56.564 56.193 0.372 2
1 586 . 1 1 A 47 47 SER CB C 47 63.584 63.278 0.307 2
1 587 . 1 1 A 47 47 SER N N 47 124.549 119.629 4.920 2
1 588 . 1 1 A 48 48 PRO HA H 48 4.286 4.358 -0.072 2
1 595 . 1 1 A 48 48 PRO C C 48 177.500 177.412 0.088 2
1 596 . 1 1 A 48 48 PRO CA C 48 65.461 64.249 1.212 2
1 597 . 1 1 A 48 48 PRO CB C 48 31.723 31.921 -0.198 2
1 600 . 1 1 A 49 49 SER H H 49 7.754 8.013 -0.259 2
1 601 . 1 1 A 49 49 SER HA H 49 4.414 4.361 0.053 2
1 604 . 1 1 A 49 49 SER C C 49 175.200 174.610 0.590 2
1 605 . 1 1 A 49 49 SER CA C 49 58.552 58.654 -0.102 2
1 606 . 1 1 A 49 49 SER CB C 49 63.820 62.861 0.959 2
1 607 . 1 1 A 49 49 SER N N 49 109.700 113.221 -3.521 2
1 608 . 1 1 A 50 50 GLY H H 50 8.194 8.221 -0.027 2
1 609 . 1 1 A 50 50 GLY HA2 H 50 3.314 3.919 -0.605 2
1 610 . 1 1 A 50 50 GLY HA3 H 50 4.354 3.936 0.418 2
1 611 . 1 1 A 50 50 GLY C C 50 173.700 173.954 -0.254 2
1 612 . 1 1 A 50 50 GLY CA C 50 45.031 45.744 -0.713 2
1 613 . 1 1 A 50 50 GLY N N 50 111.568 109.306 2.262 2
1 614 . 1 1 A 51 51 LYS H H 51 7.246 7.754 -0.508 2
1 615 . 1 1 A 51 51 LYS HA H 51 4.246 4.430 -0.184 2
1 624 . 1 1 A 51 51 LYS C C 51 175.900 175.261 0.639 2
1 625 . 1 1 A 51 51 LYS CA C 51 55.948 55.770 0.178 2
1 626 . 1 1 A 51 51 LYS CB C 51 32.893 33.393 -0.500 2
1 630 . 1 1 A 51 51 LYS N N 51 120.424 120.782 -0.358 2
1 631 . 1 1 A 52 52 ILE H H 52 8.718 8.583 0.135 2
1 632 . 1 1 A 52 52 ILE HA H 52 4.670 4.354 0.316 2
1 642 . 1 1 A 52 52 ILE C C 52 176.100 175.526 0.574 2
1 643 . 1 1 A 52 52 ILE CA C 52 60.261 60.629 -0.368 2
1 644 . 1 1 A 52 52 ILE CB C 52 38.268 37.502 0.766 2
1 648 . 1 1 A 52 52 ILE N N 52 125.588 127.775 -2.187 2
1 649 . 1 1 A 53 53 LEU H H 53 9.558 8.846 0.712 2
1 650 . 1 1 A 53 53 LEU HA H 53 4.930 5.084 -0.154 2
1 660 . 1 1 A 53 53 LEU C C 53 175.800 176.155 -0.355 2
1 661 . 1 1 A 53 53 LEU CA C 53 54.305 53.626 0.679 2
1 662 . 1 1 A 53 53 LEU CB C 53 44.080 44.068 0.012 2
1 666 . 1 1 A 53 53 LEU N N 53 131.583 128.758 2.825 2
1 667 . 1 1 A 54 54 LYS H H 54 8.746 8.874 -0.128 2
1 668 . 1 1 A 54 54 LYS HA H 54 5.463 5.172 0.291 2
1 677 . 1 1 A 54 54 LYS C C 54 176.200 175.564 0.636 2
1 678 . 1 1 A 54 54 LYS CA C 54 55.474 55.140 0.334 2
1 679 . 1 1 A 54 54 LYS CB C 54 35.349 34.328 1.021 2
1 683 . 1 1 A 54 54 LYS N N 54 120.463 122.714 -2.251 2
1 684 . 1 1 A 55 55 GLY H H 55 9.217 8.730 0.486 2
1 685 . 1 1 A 55 55 GLY HA2 H 55 4.347 3.296 1.051 2
1 686 . 1 1 A 55 55 GLY HA3 H 55 1.960 3.793 -1.833 2
1 687 . 1 1 A 55 55 GLY C C 55 172.400 172.208 0.192 2
1 688 . 1 1 A 55 55 GLY CA C 55 43.890 44.222 -0.332 2
1 689 . 1 1 A 55 55 GLY N N 55 114.284 110.185 4.099 2
1 690 . 1 1 A 56 56 LYS H H 56 8.015 8.040 -0.025 2
1 691 . 1 1 A 56 56 LYS HA H 56 5.145 4.812 0.333 2
1 700 . 1 1 A 56 56 LYS C C 56 176.000 174.731 1.269 2
1 701 . 1 1 A 56 56 LYS CA C 56 54.614 55.307 -0.693 2
1 702 . 1 1 A 56 56 LYS CB C 56 36.639 36.275 0.364 2
1 706 . 1 1 A 56 56 LYS N N 56 118.868 120.276 -1.408 2
1 707 . 1 1 A 57 57 ILE H H 57 8.693 8.443 0.250 2
1 708 . 1 1 A 57 57 ILE HA H 57 4.149 4.165 -0.016 2
1 718 . 1 1 A 57 57 ILE C C 57 177.200 177.105 0.095 2
1 719 . 1 1 A 57 57 ILE CA C 57 62.915 61.946 0.969 2
1 720 . 1 1 A 57 57 ILE CB C 57 36.286 37.935 -1.649 2
1 724 . 1 1 A 57 57 ILE N N 57 124.413 127.429 -3.016 2
1 725 . 1 1 A 58 58 VAL H H 58 8.931 8.668 0.262 2
1 726 . 1 1 A 58 58 VAL HA H 58 4.652 4.339 0.313 2
1 734 . 1 1 A 58 58 VAL C C 58 175.500 176.097 -0.597 2
1 735 . 1 1 A 58 58 VAL CA C 58 62.104 62.459 -0.356 2
1 736 . 1 1 A 58 58 VAL CB C 58 34.118 32.962 1.156 2
1 739 . 1 1 A 58 58 VAL N N 58 122.666 120.833 1.833 2
1 740 . 1 1 A 59 59 ARG H H 59 7.628 7.614 0.014 2
1 741 . 1 1 A 59 59 ARG HA H 59 4.667 4.737 -0.070 2
1 748 . 1 1 A 59 59 ARG C C 59 175.000 173.859 1.141 2
1 749 . 1 1 A 59 59 ARG CA C 59 55.579 54.674 0.905 2
1 750 . 1 1 A 59 59 ARG CB C 59 34.890 33.641 1.249 2
1 753 . 1 1 A 59 59 ARG N N 59 117.696 119.065 -1.369 2
1 754 . 1 1 A 60 60 VAL H H 60 8.647 8.605 0.042 2
1 755 . 1 1 A 60 60 VAL HA H 60 4.405 4.570 -0.165 2
1 763 . 1 1 A 60 60 VAL C C 60 173.700 174.645 -0.945 2
1 764 . 1 1 A 60 60 VAL CA C 60 63.124 61.283 1.841 2
1 765 . 1 1 A 60 60 VAL CB C 60 32.087 33.122 -1.035 2
1 768 . 1 1 A 60 60 VAL N N 60 117.604 122.357 -4.753 2
1 769 . 1 1 A 61 61 HIS H H 61 8.397 8.931 -0.534 2
1 770 . 1 1 A 61 61 HIS HA H 61 4.796 4.986 -0.190 2
1 773 . 1 1 A 61 61 HIS C C 61 174.200 175.066 -0.867 2
1 774 . 1 1 A 61 61 HIS CA C 61 55.883 54.845 1.038 2
1 775 . 1 1 A 61 61 HIS CB C 61 33.995 32.722 1.273 2
1 776 . 1 1 A 61 61 HIS N N 61 124.046 127.341 -3.295 2
1 777 . 1 1 A 62 62 GLY H H 62 8.619 8.402 0.217 2
1 778 . 1 1 A 62 62 GLY HA2 H 62 4.014 3.751 0.264 2
1 779 . 1 1 A 62 62 GLY HA3 H 62 3.771 3.829 -0.059 2
1 780 . 1 1 A 62 62 GLY C C 62 176.300 174.569 1.731 2
1 781 . 1 1 A 62 62 GLY CA C 62 45.006 45.201 -0.195 2
1 782 . 1 1 A 62 62 GLY N N 62 114.965 113.712 1.253 2
1 783 . 1 1 A 63 63 THR H H 63 8.945 8.416 0.529 2
1 784 . 1 1 A 63 63 THR HA H 63 4.533 4.286 0.247 2
1 789 . 1 1 A 63 63 THR C C 63 175.200 174.294 0.906 2
1 790 . 1 1 A 63 63 THR CA C 63 61.793 63.229 -1.436 2
1 791 . 1 1 A 63 63 THR CB C 63 69.548 67.956 1.593 2
1 793 . 1 1 A 63 63 THR N N 63 111.112 113.903 -2.792 2
1 794 . 1 1 A 64 64 LYS H H 64 9.133 8.660 0.473 2
1 795 . 1 1 A 64 64 LYS HA H 64 4.588 4.213 0.375 2
1 802 . 1 1 A 64 64 LYS C C 64 175.500 175.872 -0.372 2
1 803 . 1 1 A 64 64 LYS CA C 64 55.231 56.715 -1.484 2
1 804 . 1 1 A 64 64 LYS CB C 64 32.452 31.715 0.737 2
1 807 . 1 1 A 64 64 LYS N N 64 122.500 123.123 -0.623 2
1 808 . 1 1 A 65 65 GLY H H 65 7.987 7.923 0.064 2
1 809 . 1 1 A 65 65 GLY HA2 H 65 4.500 4.092 0.408 2
1 810 . 1 1 A 65 65 GLY HA3 H 65 3.135 4.097 -0.962 2
1 811 . 1 1 A 65 65 GLY C C 65 171.300 172.449 -1.149 2
1 812 . 1 1 A 65 65 GLY CA C 65 44.920 45.690 -0.770 2
1 813 . 1 1 A 65 65 GLY N N 65 106.884 107.660 -0.776 2
1 814 . 1 1 A 66 66 ALA H H 66 7.671 8.428 -0.757 2
1 815 . 1 1 A 66 66 ALA HA H 66 4.911 4.646 0.265 2
1 819 . 1 1 A 66 66 ALA C C 66 177.400 176.259 1.141 2
1 820 . 1 1 A 66 66 ALA CA C 66 52.232 51.781 0.451 2
1 821 . 1 1 A 66 66 ALA CB C 66 18.719 21.156 -2.437 2
1 822 . 1 1 A 66 66 ALA N N 66 115.951 125.490 -9.539 2
1 823 . 1 1 A 67 67 VAL H H 67 8.951 8.662 0.289 2
1 824 . 1 1 A 67 67 VAL HA H 67 4.875 4.857 0.018 2
1 832 . 1 1 A 67 67 VAL C C 67 173.400 173.836 -0.436 2
1 833 . 1 1 A 67 67 VAL CA C 67 59.368 59.383 -0.015 2
1 834 . 1 1 A 67 67 VAL CB C 67 36.262 36.048 0.214 2
1 837 . 1 1 A 67 67 VAL N N 67 108.601 112.796 -4.195 2
1 838 . 1 1 A 68 68 ARG H H 68 9.043 8.839 0.204 2
1 839 . 1 1 A 68 68 ARG HA H 68 5.179 4.793 0.386 2
1 846 . 1 1 A 68 68 ARG C C 68 175.000 175.392 -0.392 2
1 847 . 1 1 A 68 68 ARG CA C 68 54.632 55.525 -0.893 2
1 848 . 1 1 A 68 68 ARG CB C 68 32.597 31.475 1.122 2
1 851 . 1 1 A 68 68 ARG N N 68 118.441 124.089 -5.648 2
1 852 . 1 1 A 69 69 ALA H H 69 9.561 8.562 0.999 2
1 853 . 1 1 A 69 69 ALA HA H 69 5.409 5.014 0.395 2
1 857 . 1 1 A 69 69 ALA C C 69 174.400 175.353 -0.953 2
1 858 . 1 1 A 69 69 ALA CA C 69 49.830 50.853 -1.023 2
1 859 . 1 1 A 69 69 ALA CB C 69 23.932 24.349 -0.417 2
1 860 . 1 1 A 69 69 ALA N N 69 126.495 126.203 0.292 2
1 861 . 1 1 A 70 70 ARG H H 70 8.692 8.539 0.153 2
1 862 . 1 1 A 70 70 ARG HA H 70 5.169 5.104 0.065 2
1 869 . 1 1 A 70 70 ARG C C 70 175.700 174.747 0.953 2
1 870 . 1 1 A 70 70 ARG CA C 70 55.090 54.652 0.438 2
1 871 . 1 1 A 70 70 ARG CB C 70 33.544 33.836 -0.292 2
1 874 . 1 1 A 70 70 ARG N N 70 122.321 119.156 3.165 2
1 875 . 1 1 A 71 71 PHE H H 71 9.442 9.202 0.240 2
1 876 . 1 1 A 71 71 PHE HA H 71 4.859 4.936 -0.076 2
1 879 . 1 1 A 71 71 PHE C C 71 175.700 176.187 -0.487 2
1 880 . 1 1 A 71 71 PHE CA C 71 57.465 57.048 0.417 2
1 881 . 1 1 A 71 71 PHE CB C 71 41.819 40.130 1.689 2
1 882 . 1 1 A 71 71 PHE N N 71 128.794 124.200 4.594 2
1 883 . 1 1 A 72 72 GLU H H 72 8.968 8.958 0.010 2
1 884 . 1 1 A 72 72 GLU HA H 72 4.242 4.191 0.051 2
1 889 . 1 1 A 72 72 GLU C C 72 176.500 177.668 -1.168 2
1 890 . 1 1 A 72 72 GLU CA C 72 58.604 58.285 0.319 2
1 891 . 1 1 A 72 72 GLU CB C 72 30.263 29.338 0.925 2
1 893 . 1 1 A 72 72 GLU N N 72 121.197 123.800 -2.603 2
1 894 . 1 1 A 73 73 LYS H H 73 8.123 7.990 0.133 2
1 895 . 1 1 A 73 73 LYS HA H 73 4.514 4.369 0.145 2
1 904 . 1 1 A 73 73 LYS C C 73 175.300 176.929 -1.629 2
1 905 . 1 1 A 73 73 LYS CA C 73 54.839 57.819 -2.980 2
1 906 . 1 1 A 73 73 LYS CB C 73 34.555 33.628 0.927 2
1 910 . 1 1 A 73 73 LYS N N 73 117.266 118.457 -1.191 2
1 911 . 1 1 A 74 74 GLY H H 74 8.138 7.765 0.373 2
1 912 . 1 1 A 74 74 GLY HA2 H 74 3.733 4.016 -0.283 2
1 913 . 1 1 A 74 74 GLY HA3 H 74 3.734 4.065 -0.331 2
1 914 . 1 1 A 74 74 GLY C C 74 173.300 172.916 0.384 2
1 915 . 1 1 A 74 74 GLY CA C 74 45.289 44.961 0.328 2
1 916 . 1 1 A 74 74 GLY N N 74 105.973 105.470 0.503 2
1 917 . 1 1 A 75 75 LEU H H 75 7.924 8.250 -0.326 2
1 918 . 1 1 A 75 75 LEU HA H 75 4.337 4.598 -0.261 2
1 928 . 1 1 A 75 75 LEU CA C 75 52.387 52.439 -0.052 2
1 929 . 1 1 A 75 75 LEU CB C 75 41.391 41.939 -0.548 2
1 933 . 1 1 A 75 75 LEU N N 75 122.540 121.816 0.724 2
1 934 . 1 1 A 76 76 PRO HA H 76 4.527 4.445 0.082 2
1 941 . 1 1 A 76 76 PRO C C 76 176.700 177.067 -0.367 2
1 942 . 1 1 A 76 76 PRO CA C 76 62.467 63.848 -1.381 2
1 943 . 1 1 A 76 76 PRO CB C 76 32.055 31.925 0.130 2
1 946 . 1 1 A 77 77 GLY H H 77 8.346 8.264 0.082 2
1 947 . 1 1 A 77 77 GLY HA2 H 77 3.912 3.884 0.028 2
1 948 . 1 1 A 77 77 GLY HA3 H 77 3.836 3.907 -0.071 2
1 949 . 1 1 A 77 77 GLY C C 77 174.900 174.212 0.688 2
1 950 . 1 1 A 77 77 GLY CA C 77 46.447 46.282 0.165 2
1 951 . 1 1 A 77 77 GLY N N 77 107.966 108.667 -0.701 2
1 952 . 1 1 A 78 78 GLN H H 78 8.226 8.374 -0.148 2
1 953 . 1 1 A 78 78 GLN HA H 78 4.244 4.368 -0.124 2
1 960 . 1 1 A 78 78 GLN C C 78 175.500 175.472 0.028 2
1 961 . 1 1 A 78 78 GLN CA C 78 57.091 56.023 1.068 2
1 962 . 1 1 A 78 78 GLN CB C 78 28.933 29.286 -0.353 2
1 964 . 1 1 A 78 78 GLN N N 78 118.286 122.842 -4.556 2
1 966 . 1 1 A 79 79 ALA H H 79 7.890 8.289 -0.399 2
1 967 . 1 1 A 79 79 ALA HA H 79 4.211 4.475 -0.264 2
1 971 . 1 1 A 79 79 ALA C C 79 177.100 176.961 0.139 2
1 972 . 1 1 A 79 79 ALA CA C 79 52.573 52.020 0.553 2
1 973 . 1 1 A 79 79 ALA CB C 79 19.067 19.521 -0.454 2
1 974 . 1 1 A 79 79 ALA N N 79 122.012 125.494 -3.482 2
1 975 . 1 1 A 80 80 LEU H H 80 7.340 7.689 -0.348 2
1 976 . 1 1 A 80 80 LEU HA H 80 3.548 3.981 -0.432 2
1 986 . 1 1 A 80 80 LEU C C 80 178.200 177.538 0.662 2
1 987 . 1 1 A 80 80 LEU CA C 80 57.059 56.248 0.811 2
1 988 . 1 1 A 80 80 LEU CB C 80 41.010 41.611 -0.601 2
1 992 . 1 1 A 80 80 LEU N N 80 117.413 120.424 -3.011 2
1 993 . 1 1 A 81 81 GLY H H 81 8.704 8.606 0.098 2
1 994 . 1 1 A 81 81 GLY HA2 H 81 3.477 4.004 -0.527 2
1 995 . 1 1 A 81 81 GLY HA3 H 81 4.176 4.033 0.143 2
1 996 . 1 1 A 81 81 GLY C C 81 173.200 174.198 -0.998 2
1 997 . 1 1 A 81 81 GLY CA C 81 45.500 45.049 0.451 2
1 998 . 1 1 A 81 81 GLY N N 81 113.076 113.435 -0.359 2
1 999 . 1 1 A 82 82 ASP H H 82 8.092 7.893 0.199 2
1 1000 . 1 1 A 82 82 ASP HA H 82 4.711 4.836 -0.125 2
1 1003 . 1 1 A 82 82 ASP C C 82 175.400 175.794 -0.394 2
1 1004 . 1 1 A 82 82 ASP CA C 82 53.447 54.623 -1.176 2
1 1005 . 1 1 A 82 82 ASP CB C 82 42.306 41.797 0.509 2
1 1006 . 1 1 A 82 82 ASP N N 82 120.648 121.893 -1.245 2
1 1007 . 1 1 A 83 83 TYR H H 83 8.637 8.786 -0.149 2
1 1008 . 1 1 A 83 83 TYR HA H 83 5.725 4.709 1.016 2
1 1011 . 1 1 A 83 83 TYR C C 83 176.800 176.124 0.676 2
1 1012 . 1 1 A 83 83 TYR CA C 83 57.359 59.105 -1.746 2
1 1013 . 1 1 A 83 83 TYR CB C 83 40.594 39.233 1.361 2
1 1014 . 1 1 A 83 83 TYR N N 83 117.015 122.802 -5.787 2
1 1015 . 1 1 A 84 84 VAL H H 84 8.747 8.509 0.238 2
1 1016 . 1 1 A 84 84 VAL HA H 84 5.006 5.025 -0.019 2
1 1024 . 1 1 A 84 84 VAL C C 84 175.200 174.960 0.240 2
1 1025 . 1 1 A 84 84 VAL CA C 84 58.855 60.374 -1.519 2
1 1026 . 1 1 A 84 84 VAL CB C 84 35.371 33.494 1.877 2
1 1029 . 1 1 A 84 84 VAL N N 84 111.283 119.323 -8.040 2
1 1030 . 1 1 A 85 85 GLU H H 85 8.384 8.802 -0.417 2
1 1031 . 1 1 A 85 85 GLU HA H 85 5.129 5.307 -0.178 2
1 1036 . 1 1 A 85 85 GLU C C 85 174.900 175.250 -0.350 2
1 1037 . 1 1 A 85 85 GLU CA C 85 55.209 54.839 0.370 2
1 1038 . 1 1 A 85 85 GLU CB C 85 33.531 34.311 -0.780 2
1 1040 . 1 1 A 85 85 GLU N N 85 118.476 120.618 -2.142 2
1 1041 . 1 1 A 86 86 ILE H H 86 9.344 8.840 0.504 2
1 1042 . 1 1 A 86 86 ILE HA H 86 4.951 4.544 0.407 2
1 1052 . 1 1 A 86 86 ILE C C 86 176.000 175.107 0.893 2
1 1053 . 1 1 A 86 86 ILE CA C 86 60.535 60.676 -0.141 2
1 1054 . 1 1 A 86 86 ILE CB C 86 39.154 37.151 2.003 2
1 1058 . 1 1 A 86 86 ILE N N 86 124.495 123.148 1.347 2
stop_
save_