data_15679_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15679
_Entry.PDB_ID 2K1M
_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 20
_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 3 3 PRO HA H 3 4.235 4.543 -0.308 1
1 8 . 1 1 1 A 3 3 PRO CA C 3 63.375 62.278 1.097 1
1 9 . 1 1 1 A 3 3 PRO CB C 3 31.835 33.221 -1.386 1
1 11 . 1 1 1 A 4 4 GLY H H 4 8.439 8.055 0.384 1
1 12 . 1 1 1 A 4 4 GLY HA2 H 4 3.854 3.898 -0.044 1
1 13 . 1 1 1 A 4 4 GLY HA3 H 4 3.819 3.898 -0.079 1
1 14 . 1 1 1 A 4 4 GLY CA C 4 45.043 46.907 -1.864 1
1 15 . 1 1 1 A 4 4 GLY N N 4 108.904 106.339 2.565 1
1 16 . 1 1 1 A 5 5 LYS H H 5 7.974 7.679 0.295 1
1 17 . 1 1 1 A 5 5 LYS HA H 5 4.265 4.798 -0.533 1
1 26 . 1 1 1 A 5 5 LYS CA C 5 55.709 54.361 1.348 1
1 27 . 1 1 1 A 5 5 LYS CB C 5 33.081 36.309 -3.228 1
1 31 . 1 1 1 A 5 5 LYS N N 5 120.616 117.307 3.309 1
1 32 . 1 1 1 A 6 6 LYS H H 6 8.291 8.441 -0.150 1
1 33 . 1 1 1 A 6 6 LYS HA H 6 4.505 4.610 -0.105 1
1 36 . 1 1 1 A 6 6 LYS CA C 6 54.105 54.413 -0.308 1
1 37 . 1 1 1 A 6 6 LYS CB C 6 32.381 31.544 0.837 1
1 38 . 1 1 1 A 6 6 LYS N N 6 124.267 122.819 1.448 1
1 39 . 1 1 1 A 7 7 PRO HA H 7 4.371 4.616 -0.245 1
1 46 . 1 1 1 A 7 7 PRO CA C 7 62.738 62.260 0.478 1
1 47 . 1 1 1 A 7 7 PRO CB C 7 31.942 33.011 -1.069 1
1 50 . 1 1 1 A 8 8 VAL H H 8 8.244 8.356 -0.112 1
1 51 . 1 1 1 A 8 8 VAL HA H 8 4.012 3.996 0.016 1
1 59 . 1 1 1 A 8 8 VAL CA C 8 61.883 62.192 -0.309 1
1 60 . 1 1 1 A 8 8 VAL CB C 8 32.743 31.662 1.081 1
1 63 . 1 1 1 A 8 8 VAL N N 8 120.593 118.604 1.989 1
1 64 . 1 1 1 A 9 9 SER H H 9 8.296 8.683 -0.387 1
1 65 . 1 1 1 A 9 9 SER HA H 9 4.315 4.504 -0.189 1
1 68 . 1 1 1 A 9 9 SER CA C 9 57.429 59.632 -2.203 1
1 69 . 1 1 1 A 9 9 SER CB C 9 63.804 63.743 0.061 1
1 70 . 1 1 1 A 9 9 SER N N 9 118.557 123.070 -4.513 1
1 71 . 1 1 1 A 10 10 ALA H H 10 8.214 8.772 -0.558 1
1 72 . 1 1 1 A 10 10 ALA HA H 10 4.069 4.647 -0.578 1
1 76 . 1 1 1 A 10 10 ALA CA C 10 53.042 51.388 1.654 1
1 77 . 1 1 1 A 10 10 ALA CB C 10 19.919 19.632 0.287 1
1 78 . 1 1 1 A 10 10 ALA N N 10 125.277 125.888 -0.611 1
1 79 . 1 1 1 A 11 11 PHE H H 11 8.238 7.796 0.442 1
1 80 . 1 1 1 A 11 11 PHE HA H 11 4.816 4.922 -0.106 1
1 88 . 1 1 1 A 11 11 PHE CA C 11 57.727 56.250 1.477 1
1 89 . 1 1 1 A 11 11 PHE CB C 11 39.854 39.030 0.824 1
1 94 . 1 1 1 A 11 11 PHE N N 11 114.771 118.034 -3.263 1
1 95 . 1 1 1 A 12 12 SER H H 12 8.809 8.820 -0.011 1
1 96 . 1 1 1 A 12 12 SER HA H 12 4.395 4.253 0.142 1
1 99 . 1 1 1 A 12 12 SER CA C 12 58.641 61.504 -2.863 1
1 100 . 1 1 1 A 12 12 SER CB C 12 63.274 63.193 0.081 1
1 101 . 1 1 1 A 12 12 SER N N 12 119.399 121.037 -1.638 1
1 102 . 1 1 1 A 13 13 LYS H H 13 7.884 7.900 -0.016 1
1 103 . 1 1 1 A 13 13 LYS HA H 13 4.575 4.865 -0.290 1
1 112 . 1 1 1 A 13 13 LYS CA C 13 56.362 55.184 1.178 1
1 113 . 1 1 1 A 13 13 LYS CB C 13 35.664 35.331 0.333 1
1 114 . 1 1 1 A 13 13 LYS N N 13 121.565 119.739 1.826 1
1 115 . 1 1 1 A 14 14 LYS H H 14 8.744 8.618 0.126 1
1 116 . 1 1 1 A 14 14 LYS HA H 14 4.313 4.562 -0.249 1
1 123 . 1 1 1 A 14 14 LYS CA C 14 53.374 54.373 -0.999 1
1 124 . 1 1 1 A 14 14 LYS CB C 14 32.741 33.105 -0.364 1
1 127 . 1 1 1 A 14 14 LYS N N 14 125.096 127.824 -2.728 1
1 128 . 1 1 1 A 15 15 PRO HA H 15 4.693 4.926 -0.233 1
1 135 . 1 1 1 A 15 15 PRO CA C 15 62.248 62.199 0.049 1
1 136 . 1 1 1 A 15 15 PRO CB C 15 31.343 29.149 2.194 1
1 139 . 1 1 1 A 16 16 ARG H H 16 8.118 8.188 -0.070 1
1 140 . 1 1 1 A 16 16 ARG HA H 16 4.592 4.230 0.362 1
1 147 . 1 1 1 A 16 16 ARG CA C 16 53.951 56.200 -2.249 1
1 148 . 1 1 1 A 16 16 ARG CB C 16 32.456 30.433 2.023 1
1 151 . 1 1 1 A 16 16 ARG N N 16 119.622 119.317 0.305 1
1 152 . 1 1 1 A 17 17 SER H H 17 8.511 8.633 -0.122 1
1 153 . 1 1 1 A 17 17 SER HA H 17 5.281 4.588 0.693 1
1 156 . 1 1 1 A 17 17 SER CA C 17 59.888 58.548 1.340 1
1 157 . 1 1 1 A 17 17 SER CB C 17 63.405 64.076 -0.671 1
1 158 . 1 1 1 A 17 17 SER N N 17 117.935 116.016 1.919 1
1 159 . 1 1 1 A 18 18 VAL H H 18 8.389 9.192 -0.803 1
1 160 . 1 1 1 A 18 18 VAL HA H 18 4.660 5.140 -0.480 1
1 168 . 1 1 1 A 18 18 VAL CA C 18 60.004 59.167 0.837 1
1 169 . 1 1 1 A 18 18 VAL CB C 18 36.675 36.271 0.404 1
1 172 . 1 1 1 A 18 18 VAL N N 18 117.416 117.684 -0.268 1
1 173 . 1 1 1 A 19 19 GLU H H 19 8.190 9.155 -0.965 1
1 174 . 1 1 1 A 19 19 GLU HA H 19 5.351 5.402 -0.051 1
1 179 . 1 1 1 A 19 19 GLU CA C 19 54.138 54.717 -0.579 1
1 180 . 1 1 1 A 19 19 GLU CB C 19 31.658 33.115 -1.457 1
1 181 . 1 1 1 A 19 19 GLU N N 19 124.652 118.651 6.001 1
1 182 . 1 1 1 A 20 20 VAL H H 20 8.616 8.364 0.252 1
1 183 . 1 1 1 A 20 20 VAL HA H 20 4.491 4.739 -0.248 1
1 191 . 1 1 1 A 20 20 VAL CA C 20 59.013 59.586 -0.573 1
1 192 . 1 1 1 A 20 20 VAL CB C 20 36.048 35.732 0.316 1
1 195 . 1 1 1 A 20 20 VAL N N 20 120.245 119.108 1.137 1
1 196 . 1 1 1 A 21 21 ALA H H 21 8.375 8.639 -0.264 1
1 197 . 1 1 1 A 21 21 ALA HA H 21 4.364 4.589 -0.225 1
1 201 . 1 1 1 A 21 21 ALA CA C 21 51.307 52.078 -0.771 1
1 202 . 1 1 1 A 21 21 ALA CB C 21 18.726 19.109 -0.383 1
1 203 . 1 1 1 A 21 21 ALA N N 21 126.173 125.978 0.195 1
1 204 . 1 1 1 A 22 22 ALA H H 22 8.287 8.216 0.071 1
1 205 . 1 1 1 A 22 22 ALA HA H 22 3.899 4.000 -0.101 1
1 209 . 1 1 1 A 22 22 ALA CA C 22 53.104 53.966 -0.862 1
1 210 . 1 1 1 A 22 22 ALA CB C 22 17.631 18.503 -0.872 1
1 211 . 1 1 1 A 22 22 ALA N N 22 123.045 123.253 -0.208 1
1 212 . 1 1 1 A 23 23 GLY H H 23 9.862 8.850 1.012 1
1 213 . 1 1 1 A 23 23 GLY HA2 H 23 3.255 3.989 -0.734 1
1 214 . 1 1 1 A 23 23 GLY HA3 H 23 4.371 3.991 0.380 1
1 215 . 1 1 1 A 23 23 GLY CA C 23 44.741 45.035 -0.294 1
1 216 . 1 1 1 A 23 23 GLY N N 23 112.047 111.441 0.606 1
1 217 . 1 1 1 A 24 24 SER H H 24 7.944 7.964 -0.020 1
1 218 . 1 1 1 A 24 24 SER HA H 24 4.750 4.532 0.218 1
1 221 . 1 1 1 A 24 24 SER CA C 24 57.787 56.309 1.478 1
1 222 . 1 1 1 A 24 24 SER CB C 24 63.296 63.878 -0.582 1
1 223 . 1 1 1 A 24 24 SER N N 24 119.405 117.916 1.489 1
1 224 . 1 1 1 A 25 25 PRO HA H 25 5.142 4.642 0.500 1
1 231 . 1 1 1 A 25 25 PRO CA C 25 61.743 62.708 -0.965 1
1 232 . 1 1 1 A 25 25 PRO CB C 25 31.751 32.434 -0.683 1
1 235 . 1 1 1 A 26 26 ALA H H 26 8.688 8.244 0.444 1
1 236 . 1 1 1 A 26 26 ALA HA H 26 4.396 4.808 -0.412 1
1 240 . 1 1 1 A 26 26 ALA CA C 26 49.972 50.798 -0.826 1
1 241 . 1 1 1 A 26 26 ALA CB C 26 22.877 22.004 0.873 1
1 242 . 1 1 1 A 26 26 ALA N N 26 123.024 122.743 0.281 1
1 243 . 1 1 1 A 27 27 VAL H H 27 7.751 8.719 -0.968 1
1 244 . 1 1 1 A 27 27 VAL HA H 27 4.522 5.116 -0.594 1
1 252 . 1 1 1 A 27 27 VAL CA C 27 60.899 58.944 1.955 1
1 253 . 1 1 1 A 27 27 VAL CB C 27 33.331 35.103 -1.772 1
1 255 . 1 1 1 A 27 27 VAL N N 27 121.938 122.143 -0.205 1
1 256 . 1 1 1 A 28 28 PHE H H 28 9.196 9.205 -0.009 1
1 257 . 1 1 1 A 28 28 PHE HA H 28 4.561 4.999 -0.438 1
1 265 . 1 1 1 A 28 28 PHE CA C 28 56.051 56.257 -0.206 1
1 266 . 1 1 1 A 28 28 PHE CB C 28 42.218 42.020 0.198 1
1 271 . 1 1 1 A 28 28 PHE N N 28 126.818 125.867 0.951 1
1 272 . 1 1 1 A 29 29 GLU H H 29 8.583 9.047 -0.464 1
1 273 . 1 1 1 A 29 29 GLU HA H 29 5.405 4.813 0.592 1
1 278 . 1 1 1 A 29 29 GLU CA C 29 54.508 56.061 -1.553 1
1 279 . 1 1 1 A 29 29 GLU CB C 29 33.692 31.164 2.528 1
1 280 . 1 1 1 A 29 29 GLU N N 29 120.733 124.320 -3.587 1
1 281 . 1 1 1 A 30 30 ALA H H 30 9.484 9.402 0.082 1
1 282 . 1 1 1 A 30 30 ALA HA H 30 4.691 5.376 -0.685 1
1 286 . 1 1 1 A 30 30 ALA CA C 30 49.421 50.998 -1.577 1
1 287 . 1 1 1 A 30 30 ALA CB C 30 23.523 22.007 1.516 1
1 288 . 1 1 1 A 30 30 ALA N N 30 124.341 129.336 -4.995 1
1 289 . 1 1 1 A 31 31 GLU H H 31 9.001 9.384 -0.383 1
1 290 . 1 1 1 A 31 31 GLU HA H 31 6.016 5.123 0.893 1
1 295 . 1 1 1 A 31 31 GLU CA C 31 54.301 54.910 -0.609 1
1 296 . 1 1 1 A 31 31 GLU CB C 31 33.336 32.861 0.475 1
1 298 . 1 1 1 A 31 31 GLU N N 31 120.169 123.799 -3.630 1
1 299 . 1 1 1 A 32 32 THR H H 32 9.330 8.874 0.456 1
1 300 . 1 1 1 A 32 32 THR HA H 32 4.842 4.308 0.534 1
1 305 . 1 1 1 A 32 32 THR CA C 32 59.738 60.077 -0.339 1
1 306 . 1 1 1 A 32 32 THR CB C 32 69.791 71.232 -1.441 1
1 308 . 1 1 1 A 32 32 THR N N 32 115.538 114.755 0.783 1
1 309 . 1 1 1 A 33 33 GLU H H 33 7.950 8.818 -0.868 1
1 310 . 1 1 1 A 33 33 GLU HA H 33 3.944 4.442 -0.498 1
1 315 . 1 1 1 A 33 33 GLU CA C 33 58.563 57.201 1.362 1
1 316 . 1 1 1 A 33 33 GLU CB C 33 29.836 30.018 -0.182 1
1 318 . 1 1 1 A 33 33 GLU N N 33 119.723 121.986 -2.263 1
1 319 . 1 1 1 A 34 34 ARG H H 34 7.791 7.507 0.284 1
1 320 . 1 1 1 A 34 34 ARG HA H 34 4.490 4.776 -0.286 1
1 327 . 1 1 1 A 34 34 ARG CA C 34 53.485 55.322 -1.837 1
1 328 . 1 1 1 A 34 34 ARG CB C 34 32.411 33.662 -1.251 1
1 331 . 1 1 1 A 34 34 ARG N N 34 113.251 119.182 -5.931 1
1 332 . 1 1 1 A 35 35 ALA H H 35 8.614 8.540 0.074 1
1 333 . 1 1 1 A 35 35 ALA HA H 35 4.050 4.613 -0.563 1
1 337 . 1 1 1 A 35 35 ALA CA C 35 51.762 51.867 -0.105 1
1 338 . 1 1 1 A 35 35 ALA N N 35 125.041 126.411 -1.370 1
1 339 . 1 1 1 A 36 36 GLY H H 36 8.647 8.910 -0.263 1
1 340 . 1 1 1 A 36 36 GLY HA2 H 36 3.634 3.979 -0.345 1
1 341 . 1 1 1 A 36 36 GLY HA3 H 36 3.960 3.989 -0.029 1
1 342 . 1 1 1 A 36 36 GLY CA C 36 45.703 44.983 0.720 1
1 343 . 1 1 1 A 36 36 GLY N N 36 108.031 110.218 -2.187 1
1 344 . 1 1 1 A 37 37 VAL H H 37 7.077 7.838 -0.761 1
1 345 . 1 1 1 A 37 37 VAL HA H 37 3.869 4.184 -0.315 1
1 353 . 1 1 1 A 37 37 VAL CA C 37 61.469 61.848 -0.379 1
1 354 . 1 1 1 A 37 37 VAL CB C 37 32.942 32.311 0.631 1
1 357 . 1 1 1 A 37 37 VAL N N 37 119.457 119.024 0.433 1
1 358 . 1 1 1 A 38 38 LYS H H 38 8.467 8.431 0.036 1
1 359 . 1 1 1 A 38 38 LYS HA H 38 4.267 4.755 -0.488 1
1 366 . 1 1 1 A 38 38 LYS CA C 38 55.873 55.768 0.105 1
1 367 . 1 1 1 A 38 38 LYS CB C 38 30.881 32.905 -2.024 1
1 370 . 1 1 1 A 38 38 LYS N N 38 128.214 124.314 3.900 1
1 371 . 1 1 1 A 39 39 VAL H H 39 7.993 8.390 -0.397 1
1 372 . 1 1 1 A 39 39 VAL HA H 39 4.537 4.066 0.471 1
1 380 . 1 1 1 A 39 39 VAL CA C 39 60.114 61.965 -1.851 1
1 381 . 1 1 1 A 39 39 VAL CB C 39 33.719 31.687 2.032 1
1 384 . 1 1 1 A 39 39 VAL N N 39 123.133 125.416 -2.283 1
1 385 . 1 1 1 A 40 40 ARG H H 40 8.507 8.388 0.119 1
1 386 . 1 1 1 A 40 40 ARG HA H 40 4.503 4.849 -0.346 1
1 393 . 1 1 1 A 40 40 ARG CA C 40 54.098 55.673 -1.575 1
1 394 . 1 1 1 A 40 40 ARG CB C 40 33.701 30.965 2.736 1
1 397 . 1 1 1 A 40 40 ARG N N 40 124.492 125.664 -1.172 1
1 398 . 1 1 1 A 41 41 TRP H H 41 9.083 9.023 0.060 1
1 399 . 1 1 1 A 41 41 TRP HA H 41 5.311 5.386 -0.075 1
1 408 . 1 1 1 A 41 41 TRP CA C 41 55.134 55.939 -0.805 1
1 409 . 1 1 1 A 41 41 TRP CB C 41 31.370 32.268 -0.898 1
1 413 . 1 1 1 A 41 41 TRP N N 41 123.367 122.122 1.245 1
1 415 . 1 1 1 A 42 42 GLN H H 42 9.532 9.015 0.517 1
1 416 . 1 1 1 A 42 42 GLN HA H 42 5.159 4.691 0.468 1
1 423 . 1 1 1 A 42 42 GLN CA C 42 54.445 54.596 -0.151 1
1 424 . 1 1 1 A 42 42 GLN CB C 42 34.775 32.963 1.812 1
1 426 . 1 1 1 A 42 42 GLN N N 42 118.692 121.491 -2.799 1
1 427 . 1 1 1 A 43 43 ARG H H 43 8.209 9.005 -0.796 1
1 428 . 1 1 1 A 43 43 ARG HA H 43 4.039 4.450 -0.411 1
1 435 . 1 1 1 A 43 43 ARG CA C 43 54.790 53.601 1.189 1
1 436 . 1 1 1 A 43 43 ARG CB C 43 32.202 33.191 -0.989 1
1 439 . 1 1 1 A 43 43 ARG N N 43 119.579 125.265 -5.686 1
1 440 . 1 1 1 A 46 46 SER H H 46 7.513 7.927 -0.414 1
1 441 . 1 1 1 A 46 46 SER HA H 46 4.674 4.812 -0.138 1
1 444 . 1 1 1 A 46 46 SER CA C 46 56.766 56.890 -0.124 1
1 445 . 1 1 1 A 46 46 SER CB C 46 64.815 66.530 -1.715 1
1 446 . 1 1 1 A 46 46 SER N N 46 114.927 115.858 -0.931 1
1 447 . 1 1 1 A 47 47 ASP H H 47 8.698 8.426 0.272 1
1 448 . 1 1 1 A 47 47 ASP HA H 47 4.830 4.773 0.057 1
1 451 . 1 1 1 A 47 47 ASP CA C 47 55.177 53.845 1.332 1
1 452 . 1 1 1 A 47 47 ASP CB C 47 40.385 41.852 -1.467 1
1 453 . 1 1 1 A 47 47 ASP N N 47 125.553 122.830 2.723 1
1 454 . 1 1 1 A 48 48 ILE H H 48 8.781 8.558 0.223 1
1 455 . 1 1 1 A 48 48 ILE HA H 48 3.879 4.723 -0.844 1
1 465 . 1 1 1 A 48 48 ILE CA C 48 61.218 59.601 1.617 1
1 466 . 1 1 1 A 48 48 ILE CB C 48 39.345 40.691 -1.346 1
1 470 . 1 1 1 A 48 48 ILE N N 48 124.032 123.573 0.459 1
1 471 . 1 1 1 A 49 49 SER H H 49 7.963 8.624 -0.661 1
1 472 . 1 1 1 A 49 49 SER HA H 49 4.681 4.867 -0.186 1
1 475 . 1 1 1 A 49 49 SER CA C 49 56.256 57.817 -1.561 1
1 476 . 1 1 1 A 49 49 SER CB C 49 65.243 67.480 -2.237 1
1 477 . 1 1 1 A 49 49 SER N N 49 121.077 119.421 1.656 1
1 478 . 1 1 1 A 50 50 ALA H H 50 8.516 8.414 0.102 1
1 479 . 1 1 1 A 50 50 ALA HA H 50 4.302 4.562 -0.260 1
1 483 . 1 1 1 A 50 50 ALA CA C 50 53.052 52.172 0.880 1
1 484 . 1 1 1 A 50 50 ALA CB C 50 18.821 18.092 0.729 1
1 485 . 1 1 1 A 50 50 ALA N N 50 123.977 126.247 -2.270 1
1 486 . 1 1 1 A 51 51 SER H H 51 9.564 8.254 1.310 1
1 487 . 1 1 1 A 51 51 SER HA H 51 4.797 4.858 -0.061 1
1 490 . 1 1 1 A 51 51 SER CA C 51 56.946 57.400 -0.454 1
1 491 . 1 1 1 A 51 51 SER CB C 51 65.759 66.121 -0.362 1
1 492 . 1 1 1 A 51 51 SER N N 51 117.545 117.370 0.175 1
1 494 . 1 1 1 A 52 52 ASN CA C 52 55.930 54.438 1.492 1
1 495 . 1 1 1 A 52 52 ASN CB C 52 37.045 38.597 -1.552 1
1 496 . 1 1 1 A 53 53 LYS H H 53 8.053 8.827 -0.774 1
1 497 . 1 1 1 A 53 53 LYS HA H 53 3.995 4.021 -0.026 1
1 506 . 1 1 1 A 53 53 LYS CA C 53 53.699 57.776 -4.077 1
1 507 . 1 1 1 A 53 53 LYS CB C 53 33.687 32.043 1.644 1
1 511 . 1 1 1 A 53 53 LYS N N 53 121.638 124.734 -3.096 1
1 512 . 1 1 1 A 54 54 TYR H H 54 6.779 7.846 -1.067 1
1 513 . 1 1 1 A 54 54 TYR HA H 54 5.484 5.291 0.193 1
1 520 . 1 1 1 A 54 54 TYR CA C 54 55.016 56.537 -1.521 1
1 521 . 1 1 1 A 54 54 TYR CB C 54 40.147 43.510 -3.363 1
1 526 . 1 1 1 A 54 54 TYR N N 54 114.754 118.916 -4.162 1
1 527 . 1 1 1 A 55 55 GLY H H 55 9.666 8.259 1.407 1
1 528 . 1 1 1 A 55 55 GLY HA2 H 55 4.653 4.224 0.429 1
1 529 . 1 1 1 A 55 55 GLY HA3 H 55 3.343 4.237 -0.894 1
1 530 . 1 1 1 A 55 55 GLY CA C 55 44.332 45.510 -1.178 1
1 531 . 1 1 1 A 55 55 GLY N N 55 110.691 108.362 2.329 1
1 532 . 1 1 1 A 56 56 LEU H H 56 8.542 8.916 -0.374 1
1 533 . 1 1 1 A 56 56 LEU HA H 56 5.138 4.819 0.319 1
1 543 . 1 1 1 A 56 56 LEU CA C 56 54.213 53.805 0.408 1
1 544 . 1 1 1 A 56 56 LEU CB C 56 45.206 44.645 0.561 1
1 548 . 1 1 1 A 56 56 LEU N N 56 125.972 125.683 0.289 1
1 549 . 1 1 1 A 57 57 ALA H H 57 8.594 8.955 -0.361 1
1 550 . 1 1 1 A 57 57 ALA HA H 57 4.790 4.984 -0.194 1
1 554 . 1 1 1 A 57 57 ALA CA C 57 51.318 50.272 1.046 1
1 555 . 1 1 1 A 57 57 ALA CB C 57 22.564 20.103 2.461 1
1 556 . 1 1 1 A 57 57 ALA N N 57 124.534 127.175 -2.641 1
1 557 . 1 1 1 A 58 58 THR H H 58 8.602 9.005 -0.403 1
1 558 . 1 1 1 A 58 58 THR HA H 58 4.862 5.034 -0.172 1
1 563 . 1 1 1 A 58 58 THR CA C 58 62.034 60.077 1.957 1
1 564 . 1 1 1 A 58 58 THR CB C 58 72.197 71.795 0.402 1
1 566 . 1 1 1 A 58 58 THR N N 58 119.396 119.075 0.321 1
1 567 . 1 1 1 A 59 59 GLU H H 59 8.883 8.541 0.342 1
1 568 . 1 1 1 A 59 59 GLU HA H 59 4.378 4.503 -0.125 1
1 573 . 1 1 1 A 59 59 GLU CA C 59 54.955 55.072 -0.117 1
1 574 . 1 1 1 A 59 59 GLU CB C 59 31.121 30.565 0.556 1
1 576 . 1 1 1 A 59 59 GLU N N 59 128.594 127.730 0.864 1
1 577 . 1 1 1 A 60 60 GLY H H 60 9.045 8.907 0.138 1
1 578 . 1 1 1 A 60 60 GLY HA2 H 60 4.081 3.854 0.227 1
1 579 . 1 1 1 A 60 60 GLY HA3 H 60 3.529 3.861 -0.332 1
1 580 . 1 1 1 A 60 60 GLY CA C 60 47.127 47.217 -0.090 1
1 581 . 1 1 1 A 60 60 GLY N N 60 117.047 115.944 1.103 1
1 582 . 1 1 1 A 61 61 THR H H 61 8.332 8.581 -0.249 1
1 583 . 1 1 1 A 61 61 THR HA H 61 4.129 4.532 -0.403 1
1 588 . 1 1 1 A 61 61 THR CA C 61 61.659 61.712 -0.053 1
1 589 . 1 1 1 A 61 61 THR CB C 61 68.477 68.966 -0.489 1
1 591 . 1 1 1 A 61 61 THR N N 61 118.086 119.282 -1.196 1
1 592 . 1 1 1 A 62 62 ARG H H 62 7.906 7.627 0.279 1
1 593 . 1 1 1 A 62 62 ARG HA H 62 4.754 5.027 -0.273 1
1 600 . 1 1 1 A 62 62 ARG CA C 62 56.040 54.302 1.738 1
1 601 . 1 1 1 A 62 62 ARG CB C 62 31.775 33.679 -1.904 1
1 604 . 1 1 1 A 62 62 ARG N N 62 121.911 121.234 0.677 1
1 605 . 1 1 1 A 63 63 HIS H H 63 9.212 9.115 0.097 1
1 606 . 1 1 1 A 63 63 HIS HA H 63 5.364 5.186 0.178 1
1 611 . 1 1 1 A 63 63 HIS CA C 63 55.066 54.897 0.169 1
1 612 . 1 1 1 A 63 63 HIS CB C 63 33.860 32.746 1.114 1
1 614 . 1 1 1 A 63 63 HIS N N 63 127.111 119.196 7.915 1
1 615 . 1 1 1 A 64 64 THR H H 64 9.261 9.162 0.099 1
1 616 . 1 1 1 A 64 64 THR HA H 64 5.510 5.225 0.285 1
1 621 . 1 1 1 A 64 64 THR CA C 64 60.691 61.955 -1.264 1
1 622 . 1 1 1 A 64 64 THR CB C 64 71.788 69.866 1.922 1
1 624 . 1 1 1 A 64 64 THR N N 64 117.400 118.768 -1.368 1
1 625 . 1 1 1 A 65 65 LEU H H 65 8.456 8.801 -0.345 1
1 626 . 1 1 1 A 65 65 LEU HA H 65 4.642 4.591 0.051 1
1 636 . 1 1 1 A 65 65 LEU CA C 65 52.783 53.347 -0.564 1
1 637 . 1 1 1 A 65 65 LEU CB C 65 41.350 42.654 -1.304 1
1 641 . 1 1 1 A 65 65 LEU N N 65 129.806 129.968 -0.162 1
1 642 . 1 1 1 A 66 66 THR H H 66 9.381 9.091 0.290 1
1 643 . 1 1 1 A 66 66 THR HA H 66 4.975 4.859 0.116 1
1 648 . 1 1 1 A 66 66 THR CA C 66 61.072 61.933 -0.861 1
1 649 . 1 1 1 A 66 66 THR CB C 66 70.346 70.109 0.237 1
1 651 . 1 1 1 A 66 66 THR N N 66 123.110 124.399 -1.289 1
1 652 . 1 1 1 A 67 67 VAL H H 67 9.493 9.435 0.058 1
1 653 . 1 1 1 A 67 67 VAL HA H 67 4.317 4.529 -0.212 1
1 661 . 1 1 1 A 67 67 VAL CA C 67 61.300 61.568 -0.268 1
1 662 . 1 1 1 A 67 67 VAL CB C 67 31.636 34.383 -2.747 1
1 665 . 1 1 1 A 67 67 VAL N N 67 128.451 126.611 1.840 1
1 666 . 1 1 1 A 68 68 ARG H H 68 8.500 8.704 -0.204 1
1 667 . 1 1 1 A 68 68 ARG HA H 68 3.839 4.328 -0.489 1
1 674 . 1 1 1 A 68 68 ARG CA C 68 57.379 56.708 0.671 1
1 675 . 1 1 1 A 68 68 ARG CB C 68 30.481 30.589 -0.108 1
1 678 . 1 1 1 A 68 68 ARG N N 68 124.308 126.969 -2.661 1
1 679 . 1 1 1 A 69 69 GLU H H 69 8.545 7.939 0.606 1
1 680 . 1 1 1 A 69 69 GLU HA H 69 3.147 4.144 -0.997 1
1 685 . 1 1 1 A 69 69 GLU CA C 69 55.733 57.783 -2.050 1
1 686 . 1 1 1 A 69 69 GLU CB C 69 28.793 29.602 -0.809 1
1 688 . 1 1 1 A 69 69 GLU N N 69 118.177 119.439 -1.262 1
1 689 . 1 1 1 A 70 70 VAL H H 70 7.771 7.360 0.411 1
1 690 . 1 1 1 A 70 70 VAL HA H 70 3.810 3.967 -0.157 1
1 698 . 1 1 1 A 70 70 VAL CA C 70 63.848 62.626 1.222 1
1 699 . 1 1 1 A 70 70 VAL CB C 70 31.885 32.373 -0.488 1
1 702 . 1 1 1 A 70 70 VAL N N 70 117.579 119.504 -1.925 1
1 703 . 1 1 1 A 71 71 GLY H H 71 9.389 8.381 1.008 1
1 704 . 1 1 1 A 71 71 GLY HA2 H 71 4.470 4.231 0.239 1
1 705 . 1 1 1 A 71 71 GLY HA3 H 71 3.895 4.233 -0.338 1
1 706 . 1 1 1 A 71 71 GLY CA C 71 43.915 44.861 -0.946 1
1 707 . 1 1 1 A 71 71 GLY N N 71 114.169 114.815 -0.646 1
1 708 . 1 1 1 A 72 72 PRO HA H 72 4.038 4.417 -0.379 1
1 715 . 1 1 1 A 72 72 PRO CA C 72 65.800 64.629 1.171 1
1 716 . 1 1 1 A 72 72 PRO CB C 72 31.553 31.789 -0.236 1
1 719 . 1 1 1 A 73 73 ALA H H 73 8.558 8.354 0.204 1
1 720 . 1 1 1 A 73 73 ALA HA H 73 4.186 4.311 -0.125 1
1 724 . 1 1 1 A 73 73 ALA CA C 73 53.826 53.526 0.300 1
1 725 . 1 1 1 A 73 73 ALA CB C 73 18.152 19.179 -1.027 1
1 726 . 1 1 1 A 73 73 ALA N N 73 118.164 119.782 -1.618 1
1 727 . 1 1 1 A 74 74 ASP H H 74 8.381 7.833 0.548 1
1 728 . 1 1 1 A 74 74 ASP HA H 74 4.586 4.656 -0.070 1
1 731 . 1 1 1 A 74 74 ASP CA C 74 55.178 55.136 0.042 1
1 732 . 1 1 1 A 74 74 ASP CB C 74 42.280 41.036 1.244 1
1 733 . 1 1 1 A 74 74 ASP N N 74 113.856 116.867 -3.011 1
1 734 . 1 1 1 A 75 75 GLN H H 75 7.409 7.813 -0.404 1
1 735 . 1 1 1 A 75 75 GLN HA H 75 4.252 4.584 -0.332 1
1 740 . 1 1 1 A 75 75 GLN CA C 75 56.682 54.963 1.719 1
1 741 . 1 1 1 A 75 75 GLN CB C 75 30.337 27.077 3.260 1
1 743 . 1 1 1 A 75 75 GLN N N 75 119.456 120.327 -0.871 1
1 744 . 1 1 1 A 76 76 GLY H H 76 8.984 8.363 0.621 1
1 745 . 1 1 1 A 76 76 GLY HA2 H 76 4.610 4.042 0.568 1
1 746 . 1 1 1 A 76 76 GLY HA3 H 76 3.863 4.063 -0.200 1
1 747 . 1 1 1 A 76 76 GLY CA C 76 44.149 44.520 -0.371 1
1 748 . 1 1 1 A 76 76 GLY N N 76 112.000 112.133 -0.133 1
1 749 . 1 1 1 A 77 77 SER H H 77 8.106 8.715 -0.609 1
1 750 . 1 1 1 A 77 77 SER HA H 77 5.009 5.422 -0.413 1
1 753 . 1 1 1 A 77 77 SER CA C 77 58.199 56.525 1.674 1
1 754 . 1 1 1 A 77 77 SER CB C 77 64.099 65.767 -1.668 1
1 755 . 1 1 1 A 77 77 SER N N 77 114.587 116.466 -1.879 1
1 756 . 1 1 1 A 78 78 TYR H H 78 9.056 8.895 0.161 1
1 757 . 1 1 1 A 78 78 TYR HA H 78 4.530 4.775 -0.245 1
1 764 . 1 1 1 A 78 78 TYR CA C 78 56.450 56.521 -0.071 1
1 765 . 1 1 1 A 78 78 TYR CB C 78 43.805 39.188 4.617 1
1 770 . 1 1 1 A 78 78 TYR N N 78 127.751 123.661 4.090 1
1 771 . 1 1 1 A 79 79 ALA H H 79 8.558 8.676 -0.118 1
1 772 . 1 1 1 A 79 79 ALA HA H 79 5.233 5.252 -0.019 1
1 776 . 1 1 1 A 79 79 ALA CA C 79 50.806 49.806 1.000 1
1 777 . 1 1 1 A 79 79 ALA CB C 79 23.130 22.529 0.601 1
1 778 . 1 1 1 A 79 79 ALA N N 79 118.647 124.961 -6.314 1
1 779 . 1 1 1 A 80 80 VAL H H 80 8.717 8.615 0.102 1
1 780 . 1 1 1 A 80 80 VAL HA H 80 4.905 4.508 0.397 1
1 788 . 1 1 1 A 80 80 VAL CA C 80 58.760 60.161 -1.401 1
1 789 . 1 1 1 A 80 80 VAL CB C 80 35.087 34.590 0.497 1
1 792 . 1 1 1 A 80 80 VAL N N 80 118.846 118.075 0.771 1
1 793 . 1 1 1 A 81 81 ILE H H 81 8.739 8.962 -0.223 1
1 794 . 1 1 1 A 81 81 ILE HA H 81 5.012 5.162 -0.150 1
1 804 . 1 1 1 A 81 81 ILE CA C 81 59.751 59.758 -0.007 1
1 805 . 1 1 1 A 81 81 ILE CB C 81 42.030 40.662 1.368 1
1 809 . 1 1 1 A 81 81 ILE N N 81 126.232 129.600 -3.368 1
1 810 . 1 1 1 A 82 82 ALA H H 82 8.388 8.725 -0.337 1
1 811 . 1 1 1 A 82 82 ALA HA H 82 4.449 4.453 -0.004 1
1 815 . 1 1 1 A 82 82 ALA CA C 82 50.839 50.620 0.219 1
1 816 . 1 1 1 A 82 82 ALA CB C 82 21.160 19.658 1.502 1
1 817 . 1 1 1 A 82 82 ALA N N 82 128.273 128.024 0.249 1
1 818 . 1 1 1 A 83 83 GLY H H 83 8.841 8.887 -0.046 1
1 819 . 1 1 1 A 83 83 GLY HA2 H 83 3.815 3.846 -0.031 1
1 820 . 1 1 1 A 83 83 GLY HA3 H 83 3.509 3.853 -0.344 1
1 821 . 1 1 1 A 83 83 GLY CA C 83 46.917 47.189 -0.272 1
1 822 . 1 1 1 A 83 83 GLY N N 83 113.065 114.936 -1.871 1
1 823 . 1 1 1 A 85 85 SER H H 85 8.423 7.892 0.531 1
1 824 . 1 1 1 A 85 85 SER HA H 85 4.659 4.386 0.273 1
1 827 . 1 1 1 A 85 85 SER CA C 85 58.485 58.850 -0.365 1
1 828 . 1 1 1 A 85 85 SER CB C 85 64.397 63.888 0.509 1
1 829 . 1 1 1 A 85 85 SER N N 85 119.428 117.530 1.898 1
1 830 . 1 1 1 A 86 86 LYS H H 86 8.490 8.565 -0.075 1
1 831 . 1 1 1 A 86 86 LYS HA H 86 5.243 5.081 0.162 1
1 840 . 1 1 1 A 86 86 LYS CA C 86 54.822 54.657 0.165 1
1 841 . 1 1 1 A 86 86 LYS CB C 86 35.340 35.785 -0.445 1
1 845 . 1 1 1 A 86 86 LYS N N 86 125.678 127.242 -1.564 1
1 846 . 1 1 1 A 87 87 VAL H H 87 8.863 8.590 0.273 1
1 847 . 1 1 1 A 87 87 VAL HA H 87 4.300 4.797 -0.497 1
1 855 . 1 1 1 A 87 87 VAL CA C 87 60.870 59.258 1.612 1
1 856 . 1 1 1 A 87 87 VAL CB C 87 34.228 35.383 -1.155 1
1 859 . 1 1 1 A 87 87 VAL N N 87 126.631 124.797 1.834 1
1 860 . 1 1 1 A 88 88 LYS H H 88 8.475 8.920 -0.445 1
1 861 . 1 1 1 A 88 88 LYS HA H 88 5.065 4.936 0.129 1
1 870 . 1 1 1 A 88 88 LYS CA C 88 55.124 54.295 0.829 1
1 871 . 1 1 1 A 88 88 LYS CB C 88 34.479 36.268 -1.789 1
1 874 . 1 1 1 A 88 88 LYS N N 88 125.592 125.219 0.373 1
1 875 . 1 1 1 A 89 89 PHE H H 89 8.152 8.179 -0.027 1
1 876 . 1 1 1 A 89 89 PHE HA H 89 4.601 5.700 -1.099 1
1 884 . 1 1 1 A 89 89 PHE CA C 89 56.311 54.890 1.421 1
1 885 . 1 1 1 A 89 89 PHE CB C 89 39.383 42.329 -2.946 1
1 888 . 1 1 1 A 89 89 PHE N N 89 119.005 117.490 1.515 1
1 889 . 1 1 1 A 90 90 ASP H H 90 9.006 9.051 -0.045 1
1 890 . 1 1 1 A 90 90 ASP HA H 90 5.565 5.317 0.248 1
1 893 . 1 1 1 A 90 90 ASP CA C 90 53.532 53.974 -0.442 1
1 894 . 1 1 1 A 90 90 ASP CB C 90 45.151 43.003 2.148 1
1 895 . 1 1 1 A 90 90 ASP N N 90 118.742 119.953 -1.211 1
1 896 . 1 1 1 A 91 91 LEU H H 91 8.733 9.089 -0.356 1
1 897 . 1 1 1 A 91 91 LEU HA H 91 5.137 5.241 -0.104 1
1 907 . 1 1 1 A 91 91 LEU CA C 91 54.171 53.659 0.512 1
1 908 . 1 1 1 A 91 91 LEU CB C 91 45.625 44.742 0.883 1
1 911 . 1 1 1 A 91 91 LEU N N 91 121.344 125.965 -4.621 1
1 912 . 1 1 1 A 92 92 LYS H H 92 8.892 8.571 0.321 1
1 913 . 1 1 1 A 92 92 LYS HA H 92 4.733 4.774 -0.041 1
1 922 . 1 1 1 A 92 92 LYS CA C 92 54.910 55.946 -1.036 1
1 923 . 1 1 1 A 92 92 LYS CB C 92 35.261 33.186 2.075 1
1 927 . 1 1 1 A 92 92 LYS N N 92 128.486 127.200 1.286 1
1 928 . 1 1 1 A 93 93 VAL H H 93 8.563 8.471 0.092 1
1 929 . 1 1 1 A 93 93 VAL HA H 93 4.818 4.593 0.225 1
1 937 . 1 1 1 A 93 93 VAL CA C 93 60.568 62.332 -1.764 1
1 938 . 1 1 1 A 93 93 VAL CB C 93 33.024 32.252 0.772 1
1 941 . 1 1 1 A 93 93 VAL N N 93 124.459 125.571 -1.112 1
1 942 . 1 1 1 A 94 94 ILE H H 94 8.395 8.743 -0.348 1
1 943 . 1 1 1 A 94 94 ILE HA H 94 4.162 4.616 -0.454 1
1 953 . 1 1 1 A 94 94 ILE CA C 94 60.238 60.076 0.162 1
1 954 . 1 1 1 A 94 94 ILE CB C 94 39.279 39.437 -0.158 1
1 958 . 1 1 1 A 94 94 ILE N N 94 126.433 128.361 -1.928 1
1 1 . 2 1 1 A 3 3 PRO HA H 3 4.235 4.580 -0.345 1
1 8 . 2 1 1 A 3 3 PRO CA C 3 63.375 62.386 0.989 1
1 9 . 2 1 1 A 3 3 PRO CB C 3 31.835 33.110 -1.275 1
1 11 . 2 1 1 A 4 4 GLY H H 4 8.439 8.231 0.208 1
1 12 . 2 1 1 A 4 4 GLY HA2 H 4 3.854 3.808 0.046 1
1 13 . 2 1 1 A 4 4 GLY HA3 H 4 3.819 3.808 0.011 1
1 14 . 2 1 1 A 4 4 GLY CA C 4 45.043 47.084 -2.041 1
1 15 . 2 1 1 A 4 4 GLY N N 4 108.904 106.534 2.370 1
1 16 . 2 1 1 A 5 5 LYS H H 5 7.974 7.641 0.333 1
1 17 . 2 1 1 A 5 5 LYS HA H 5 4.265 4.357 -0.092 1
1 26 . 2 1 1 A 5 5 LYS CA C 5 55.709 55.485 0.224 1
1 27 . 2 1 1 A 5 5 LYS CB C 5 33.081 33.071 0.010 1
1 31 . 2 1 1 A 5 5 LYS N N 5 120.616 119.283 1.333 1
1 32 . 2 1 1 A 6 6 LYS H H 6 8.291 8.469 -0.178 1
1 33 . 2 1 1 A 6 6 LYS HA H 6 4.505 4.566 -0.061 1
1 36 . 2 1 1 A 6 6 LYS CA C 6 54.105 54.594 -0.489 1
1 37 . 2 1 1 A 6 6 LYS CB C 6 32.381 31.526 0.855 1
1 38 . 2 1 1 A 6 6 LYS N N 6 124.267 123.630 0.637 1
1 39 . 2 1 1 A 7 7 PRO HA H 7 4.371 4.428 -0.057 1
1 46 . 2 1 1 A 7 7 PRO CA C 7 62.738 62.794 -0.056 1
1 47 . 2 1 1 A 7 7 PRO CB C 7 31.942 31.923 0.019 1
1 50 . 2 1 1 A 8 8 VAL H H 8 8.244 8.300 -0.056 1
1 51 . 2 1 1 A 8 8 VAL HA H 8 4.012 4.016 -0.004 1
1 59 . 2 1 1 A 8 8 VAL CA C 8 61.883 62.425 -0.542 1
1 60 . 2 1 1 A 8 8 VAL CB C 8 32.743 30.636 2.107 1
1 63 . 2 1 1 A 8 8 VAL N N 8 120.593 123.409 -2.816 1
1 64 . 2 1 1 A 9 9 SER H H 9 8.296 8.661 -0.365 1
1 65 . 2 1 1 A 9 9 SER HA H 9 4.315 4.990 -0.675 1
1 68 . 2 1 1 A 9 9 SER CA C 9 57.429 55.840 1.589 1
1 69 . 2 1 1 A 9 9 SER CB C 9 63.804 65.995 -2.191 1
1 70 . 2 1 1 A 9 9 SER N N 9 118.557 122.526 -3.969 1
1 71 . 2 1 1 A 10 10 ALA H H 10 8.214 8.471 -0.257 1
1 72 . 2 1 1 A 10 10 ALA HA H 10 4.069 4.652 -0.583 1
1 76 . 2 1 1 A 10 10 ALA CA C 10 53.042 51.271 1.771 1
1 77 . 2 1 1 A 10 10 ALA CB C 10 19.919 19.595 0.324 1
1 78 . 2 1 1 A 10 10 ALA N N 10 125.277 125.348 -0.071 1
1 79 . 2 1 1 A 11 11 PHE H H 11 8.238 7.806 0.432 1
1 80 . 2 1 1 A 11 11 PHE HA H 11 4.816 4.931 -0.115 1
1 88 . 2 1 1 A 11 11 PHE CA C 11 57.727 56.268 1.459 1
1 89 . 2 1 1 A 11 11 PHE CB C 11 39.854 38.861 0.993 1
1 94 . 2 1 1 A 11 11 PHE N N 11 114.771 118.152 -3.381 1
1 95 . 2 1 1 A 12 12 SER H H 12 8.809 8.818 -0.009 1
1 96 . 2 1 1 A 12 12 SER HA H 12 4.395 4.270 0.125 1
1 99 . 2 1 1 A 12 12 SER CA C 12 58.641 61.300 -2.659 1
1 100 . 2 1 1 A 12 12 SER CB C 12 63.274 63.261 0.013 1
1 101 . 2 1 1 A 12 12 SER N N 12 119.399 120.988 -1.589 1
1 102 . 2 1 1 A 13 13 LYS H H 13 7.884 7.890 -0.006 1
1 103 . 2 1 1 A 13 13 LYS HA H 13 4.575 4.839 -0.264 1
1 112 . 2 1 1 A 13 13 LYS CA C 13 56.362 55.198 1.164 1
1 113 . 2 1 1 A 13 13 LYS CB C 13 35.664 35.224 0.440 1
1 114 . 2 1 1 A 13 13 LYS N N 13 121.565 119.591 1.974 1
1 115 . 2 1 1 A 14 14 LYS H H 14 8.744 8.547 0.197 1
1 116 . 2 1 1 A 14 14 LYS HA H 14 4.313 4.532 -0.219 1
1 123 . 2 1 1 A 14 14 LYS CA C 14 53.374 54.634 -1.260 1
1 124 . 2 1 1 A 14 14 LYS CB C 14 32.741 32.485 0.256 1
1 127 . 2 1 1 A 14 14 LYS N N 14 125.096 127.779 -2.683 1
1 128 . 2 1 1 A 15 15 PRO HA H 15 4.693 4.915 -0.222 1
1 135 . 2 1 1 A 15 15 PRO CA C 15 62.248 62.192 0.056 1
1 136 . 2 1 1 A 15 15 PRO CB C 15 31.343 29.146 2.197 1
1 139 . 2 1 1 A 16 16 ARG H H 16 8.118 7.887 0.231 1
1 140 . 2 1 1 A 16 16 ARG HA H 16 4.592 4.336 0.256 1
1 147 . 2 1 1 A 16 16 ARG CA C 16 53.951 57.034 -3.083 1
1 148 . 2 1 1 A 16 16 ARG CB C 16 32.456 30.624 1.832 1
1 151 . 2 1 1 A 16 16 ARG N N 16 119.622 124.453 -4.831 1
1 152 . 2 1 1 A 17 17 SER H H 17 8.511 8.657 -0.146 1
1 153 . 2 1 1 A 17 17 SER HA H 17 5.281 4.595 0.686 1
1 156 . 2 1 1 A 17 17 SER CA C 17 59.888 58.494 1.394 1
1 157 . 2 1 1 A 17 17 SER CB C 17 63.405 64.261 -0.856 1
1 158 . 2 1 1 A 17 17 SER N N 17 117.935 117.360 0.575 1
1 159 . 2 1 1 A 18 18 VAL H H 18 8.389 9.063 -0.674 1
1 160 . 2 1 1 A 18 18 VAL HA H 18 4.660 5.117 -0.457 1
1 168 . 2 1 1 A 18 18 VAL CA C 18 60.004 58.997 1.007 1
1 169 . 2 1 1 A 18 18 VAL CB C 18 36.675 36.573 0.102 1
1 172 . 2 1 1 A 18 18 VAL N N 18 117.416 116.750 0.666 1
1 173 . 2 1 1 A 19 19 GLU H H 19 8.190 9.129 -0.939 1
1 174 . 2 1 1 A 19 19 GLU HA H 19 5.351 5.488 -0.137 1
1 179 . 2 1 1 A 19 19 GLU CA C 19 54.138 54.642 -0.504 1
1 180 . 2 1 1 A 19 19 GLU CB C 19 31.658 33.444 -1.786 1
1 181 . 2 1 1 A 19 19 GLU N N 19 124.652 118.575 6.077 1
1 182 . 2 1 1 A 20 20 VAL H H 20 8.616 8.519 0.097 1
1 183 . 2 1 1 A 20 20 VAL HA H 20 4.491 4.721 -0.230 1
1 191 . 2 1 1 A 20 20 VAL CA C 20 59.013 59.593 -0.580 1
1 192 . 2 1 1 A 20 20 VAL CB C 20 36.048 36.001 0.047 1
1 195 . 2 1 1 A 20 20 VAL N N 20 120.245 118.509 1.736 1
1 196 . 2 1 1 A 21 21 ALA H H 21 8.375 8.616 -0.241 1
1 197 . 2 1 1 A 21 21 ALA HA H 21 4.364 4.624 -0.260 1
1 201 . 2 1 1 A 21 21 ALA CA C 21 51.307 51.900 -0.593 1
1 202 . 2 1 1 A 21 21 ALA CB C 21 18.726 19.312 -0.586 1
1 203 . 2 1 1 A 21 21 ALA N N 21 126.173 124.837 1.336 1
1 204 . 2 1 1 A 22 22 ALA H H 22 8.287 7.947 0.340 1
1 205 . 2 1 1 A 22 22 ALA HA H 22 3.899 3.988 -0.089 1
1 209 . 2 1 1 A 22 22 ALA CA C 22 53.104 54.010 -0.906 1
1 210 . 2 1 1 A 22 22 ALA CB C 22 17.631 18.464 -0.833 1
1 211 . 2 1 1 A 22 22 ALA N N 22 123.045 123.168 -0.123 1
1 212 . 2 1 1 A 23 23 GLY H H 23 9.862 8.823 1.039 1
1 213 . 2 1 1 A 23 23 GLY HA2 H 23 3.255 3.986 -0.731 1
1 214 . 2 1 1 A 23 23 GLY HA3 H 23 4.371 3.988 0.383 1
1 215 . 2 1 1 A 23 23 GLY CA C 23 44.741 44.985 -0.244 1
1 216 . 2 1 1 A 23 23 GLY N N 23 112.047 111.487 0.560 1
1 217 . 2 1 1 A 24 24 SER H H 24 7.944 8.021 -0.077 1
1 218 . 2 1 1 A 24 24 SER HA H 24 4.750 4.444 0.306 1
1 221 . 2 1 1 A 24 24 SER CA C 24 57.787 57.732 0.055 1
1 222 . 2 1 1 A 24 24 SER CB C 24 63.296 63.617 -0.321 1
1 223 . 2 1 1 A 24 24 SER N N 24 119.405 117.665 1.740 1
1 224 . 2 1 1 A 25 25 PRO HA H 25 5.142 4.652 0.490 1
1 231 . 2 1 1 A 25 25 PRO CA C 25 61.743 62.691 -0.948 1
1 232 . 2 1 1 A 25 25 PRO CB C 25 31.751 32.306 -0.555 1
1 235 . 2 1 1 A 26 26 ALA H H 26 8.688 8.217 0.471 1
1 236 . 2 1 1 A 26 26 ALA HA H 26 4.396 4.875 -0.479 1
1 240 . 2 1 1 A 26 26 ALA CA C 26 49.972 50.783 -0.811 1
1 241 . 2 1 1 A 26 26 ALA CB C 26 22.877 21.997 0.880 1
1 242 . 2 1 1 A 26 26 ALA N N 26 123.024 123.481 -0.457 1
1 243 . 2 1 1 A 27 27 VAL H H 27 7.751 8.741 -0.990 1
1 244 . 2 1 1 A 27 27 VAL HA H 27 4.522 5.055 -0.533 1
1 252 . 2 1 1 A 27 27 VAL CA C 27 60.899 59.218 1.681 1
1 253 . 2 1 1 A 27 27 VAL CB C 27 33.331 35.236 -1.905 1
1 255 . 2 1 1 A 27 27 VAL N N 27 121.938 122.074 -0.136 1
1 256 . 2 1 1 A 28 28 PHE H H 28 9.196 9.038 0.158 1
1 257 . 2 1 1 A 28 28 PHE HA H 28 4.561 5.188 -0.627 1
1 265 . 2 1 1 A 28 28 PHE CA C 28 56.051 55.894 0.157 1
1 266 . 2 1 1 A 28 28 PHE CB C 28 42.218 42.614 -0.396 1
1 271 . 2 1 1 A 28 28 PHE N N 28 126.818 125.630 1.188 1
1 272 . 2 1 1 A 29 29 GLU H H 29 8.583 8.866 -0.283 1
1 273 . 2 1 1 A 29 29 GLU HA H 29 5.405 5.155 0.250 1
1 278 . 2 1 1 A 29 29 GLU CA C 29 54.508 55.151 -0.643 1
1 279 . 2 1 1 A 29 29 GLU CB C 29 33.692 31.691 2.001 1
1 280 . 2 1 1 A 29 29 GLU N N 29 120.733 121.513 -0.780 1
1 281 . 2 1 1 A 30 30 ALA H H 30 9.484 9.741 -0.257 1
1 282 . 2 1 1 A 30 30 ALA HA H 30 4.691 5.315 -0.624 1
1 286 . 2 1 1 A 30 30 ALA CA C 30 49.421 50.738 -1.317 1
1 287 . 2 1 1 A 30 30 ALA CB C 30 23.523 21.672 1.851 1
1 288 . 2 1 1 A 30 30 ALA N N 30 124.341 127.392 -3.051 1
1 289 . 2 1 1 A 31 31 GLU H H 31 9.001 9.528 -0.527 1
1 290 . 2 1 1 A 31 31 GLU HA H 31 6.016 5.273 0.743 1
1 295 . 2 1 1 A 31 31 GLU CA C 31 54.301 55.169 -0.868 1
1 296 . 2 1 1 A 31 31 GLU CB C 31 33.336 32.538 0.798 1
1 298 . 2 1 1 A 31 31 GLU N N 31 120.169 124.047 -3.878 1
1 299 . 2 1 1 A 32 32 THR H H 32 9.330 9.120 0.210 1
1 300 . 2 1 1 A 32 32 THR HA H 32 4.842 4.303 0.539 1
1 305 . 2 1 1 A 32 32 THR CA C 32 59.738 59.930 -0.192 1
1 306 . 2 1 1 A 32 32 THR CB C 32 69.791 71.146 -1.355 1
1 308 . 2 1 1 A 32 32 THR N N 32 115.538 116.916 -1.378 1
1 309 . 2 1 1 A 33 33 GLU H H 33 7.950 8.772 -0.822 1
1 310 . 2 1 1 A 33 33 GLU HA H 33 3.944 4.345 -0.401 1
1 315 . 2 1 1 A 33 33 GLU CA C 33 58.563 57.898 0.665 1
1 316 . 2 1 1 A 33 33 GLU CB C 33 29.836 30.465 -0.629 1
1 318 . 2 1 1 A 33 33 GLU N N 33 119.723 121.768 -2.045 1
1 319 . 2 1 1 A 34 34 ARG H H 34 7.791 7.556 0.235 1
1 320 . 2 1 1 A 34 34 ARG HA H 34 4.490 4.901 -0.411 1
1 327 . 2 1 1 A 34 34 ARG CA C 34 53.485 54.520 -1.035 1
1 328 . 2 1 1 A 34 34 ARG CB C 34 32.411 33.820 -1.409 1
1 331 . 2 1 1 A 34 34 ARG N N 34 113.251 119.351 -6.100 1
1 332 . 2 1 1 A 35 35 ALA H H 35 8.614 8.525 0.089 1
1 333 . 2 1 1 A 35 35 ALA HA H 35 4.050 4.512 -0.462 1
1 337 . 2 1 1 A 35 35 ALA CA C 35 51.762 52.147 -0.385 1
1 338 . 2 1 1 A 35 35 ALA N N 35 125.041 126.949 -1.908 1
1 339 . 2 1 1 A 36 36 GLY H H 36 8.647 8.867 -0.220 1
1 340 . 2 1 1 A 36 36 GLY HA2 H 36 3.634 3.985 -0.351 1
1 341 . 2 1 1 A 36 36 GLY HA3 H 36 3.960 3.993 -0.033 1
1 342 . 2 1 1 A 36 36 GLY CA C 36 45.703 45.040 0.663 1
1 343 . 2 1 1 A 36 36 GLY N N 36 108.031 110.100 -2.069 1
1 344 . 2 1 1 A 37 37 VAL H H 37 7.077 7.831 -0.754 1
1 345 . 2 1 1 A 37 37 VAL HA H 37 3.869 4.183 -0.314 1
1 353 . 2 1 1 A 37 37 VAL CA C 37 61.469 61.975 -0.506 1
1 354 . 2 1 1 A 37 37 VAL CB C 37 32.942 32.443 0.499 1
1 357 . 2 1 1 A 37 37 VAL N N 37 119.457 119.294 0.163 1
1 358 . 2 1 1 A 38 38 LYS H H 38 8.467 8.392 0.075 1
1 359 . 2 1 1 A 38 38 LYS HA H 38 4.267 4.789 -0.522 1
1 366 . 2 1 1 A 38 38 LYS CA C 38 55.873 54.953 0.920 1
1 367 . 2 1 1 A 38 38 LYS CB C 38 30.881 33.856 -2.975 1
1 370 . 2 1 1 A 38 38 LYS N N 38 128.214 124.476 3.738 1
1 371 . 2 1 1 A 39 39 VAL H H 39 7.993 8.519 -0.526 1
1 372 . 2 1 1 A 39 39 VAL HA H 39 4.537 4.031 0.506 1
1 380 . 2 1 1 A 39 39 VAL CA C 39 60.114 62.342 -2.228 1
1 381 . 2 1 1 A 39 39 VAL CB C 39 33.719 31.151 2.568 1
1 384 . 2 1 1 A 39 39 VAL N N 39 123.133 127.197 -4.064 1
1 385 . 2 1 1 A 40 40 ARG H H 40 8.507 8.776 -0.269 1
1 386 . 2 1 1 A 40 40 ARG HA H 40 4.503 4.890 -0.387 1
1 393 . 2 1 1 A 40 40 ARG CA C 40 54.098 55.335 -1.237 1
1 394 . 2 1 1 A 40 40 ARG CB C 40 33.701 31.406 2.295 1
1 397 . 2 1 1 A 40 40 ARG N N 40 124.492 127.659 -3.167 1
1 398 . 2 1 1 A 41 41 TRP H H 41 9.083 9.050 0.033 1
1 399 . 2 1 1 A 41 41 TRP HA H 41 5.311 5.373 -0.062 1
1 408 . 2 1 1 A 41 41 TRP CA C 41 55.134 55.949 -0.815 1
1 409 . 2 1 1 A 41 41 TRP CB C 41 31.370 32.310 -0.940 1
1 413 . 2 1 1 A 41 41 TRP N N 41 123.367 126.493 -3.126 1
1 415 . 2 1 1 A 42 42 GLN H H 42 9.532 9.201 0.331 1
1 416 . 2 1 1 A 42 42 GLN HA H 42 5.159 5.076 0.083 1
1 423 . 2 1 1 A 42 42 GLN CA C 42 54.445 54.384 0.061 1
1 424 . 2 1 1 A 42 42 GLN CB C 42 34.775 32.347 2.428 1
1 426 . 2 1 1 A 42 42 GLN N N 42 118.692 121.938 -3.246 1
1 427 . 2 1 1 A 43 43 ARG H H 43 8.209 8.943 -0.734 1
1 428 . 2 1 1 A 43 43 ARG HA H 43 4.039 4.227 -0.188 1
1 435 . 2 1 1 A 43 43 ARG CA C 43 54.790 54.711 0.079 1
1 436 . 2 1 1 A 43 43 ARG CB C 43 32.202 31.287 0.915 1
1 439 . 2 1 1 A 43 43 ARG N N 43 119.579 123.222 -3.643 1
1 440 . 2 1 1 A 46 46 SER H H 46 7.513 7.917 -0.404 1
1 441 . 2 1 1 A 46 46 SER HA H 46 4.674 4.997 -0.323 1
1 444 . 2 1 1 A 46 46 SER CA C 46 56.766 57.385 -0.619 1
1 445 . 2 1 1 A 46 46 SER CB C 46 64.815 65.530 -0.715 1
1 446 . 2 1 1 A 46 46 SER N N 46 114.927 115.391 -0.464 1
1 447 . 2 1 1 A 47 47 ASP H H 47 8.698 8.833 -0.135 1
1 448 . 2 1 1 A 47 47 ASP HA H 47 4.830 4.578 0.252 1
1 451 . 2 1 1 A 47 47 ASP CA C 47 55.177 54.416 0.761 1
1 452 . 2 1 1 A 47 47 ASP CB C 47 40.385 41.005 -0.620 1
1 453 . 2 1 1 A 47 47 ASP N N 47 125.553 126.280 -0.727 1
1 454 . 2 1 1 A 48 48 ILE H H 48 8.781 8.636 0.145 1
1 455 . 2 1 1 A 48 48 ILE HA H 48 3.879 4.681 -0.802 1
1 465 . 2 1 1 A 48 48 ILE CA C 48 61.218 59.693 1.525 1
1 466 . 2 1 1 A 48 48 ILE CB C 48 39.345 40.496 -1.151 1
1 470 . 2 1 1 A 48 48 ILE N N 48 124.032 122.797 1.235 1
1 471 . 2 1 1 A 49 49 SER H H 49 7.963 8.444 -0.481 1
1 472 . 2 1 1 A 49 49 SER HA H 49 4.681 4.897 -0.216 1
1 475 . 2 1 1 A 49 49 SER CA C 49 56.256 57.236 -0.980 1
1 476 . 2 1 1 A 49 49 SER CB C 49 65.243 65.824 -0.581 1
1 477 . 2 1 1 A 49 49 SER N N 49 121.077 119.608 1.469 1
1 478 . 2 1 1 A 50 50 ALA H H 50 8.516 8.464 0.052 1
1 479 . 2 1 1 A 50 50 ALA HA H 50 4.302 4.350 -0.048 1
1 483 . 2 1 1 A 50 50 ALA CA C 50 53.052 53.035 0.017 1
1 484 . 2 1 1 A 50 50 ALA CB C 50 18.821 18.226 0.595 1
1 485 . 2 1 1 A 50 50 ALA N N 50 123.977 128.714 -4.737 1
1 486 . 2 1 1 A 51 51 SER H H 51 9.564 8.642 0.922 1
1 487 . 2 1 1 A 51 51 SER HA H 51 4.797 4.905 -0.108 1
1 490 . 2 1 1 A 51 51 SER CA C 51 56.946 57.398 -0.452 1
1 491 . 2 1 1 A 51 51 SER CB C 51 65.759 65.741 0.018 1
1 492 . 2 1 1 A 51 51 SER N N 51 117.545 118.185 -0.640 1
1 494 . 2 1 1 A 52 52 ASN CA C 52 55.930 54.495 1.435 1
1 495 . 2 1 1 A 52 52 ASN CB C 52 37.045 38.333 -1.288 1
1 496 . 2 1 1 A 53 53 LYS H H 53 8.053 8.863 -0.810 1
1 497 . 2 1 1 A 53 53 LYS HA H 53 3.995 3.958 0.037 1
1 506 . 2 1 1 A 53 53 LYS CA C 53 53.699 57.791 -4.092 1
1 507 . 2 1 1 A 53 53 LYS CB C 53 33.687 32.035 1.652 1
1 511 . 2 1 1 A 53 53 LYS N N 53 121.638 123.572 -1.934 1
1 512 . 2 1 1 A 54 54 TYR H H 54 6.779 7.883 -1.104 1
1 513 . 2 1 1 A 54 54 TYR HA H 54 5.484 5.269 0.215 1
1 520 . 2 1 1 A 54 54 TYR CA C 54 55.016 56.535 -1.519 1
1 521 . 2 1 1 A 54 54 TYR CB C 54 40.147 43.561 -3.414 1
1 526 . 2 1 1 A 54 54 TYR N N 54 114.754 118.491 -3.737 1
1 527 . 2 1 1 A 55 55 GLY H H 55 9.666 8.648 1.018 1
1 528 . 2 1 1 A 55 55 GLY HA2 H 55 4.653 4.225 0.428 1
1 529 . 2 1 1 A 55 55 GLY HA3 H 55 3.343 4.240 -0.897 1
1 530 . 2 1 1 A 55 55 GLY CA C 55 44.332 45.547 -1.215 1
1 531 . 2 1 1 A 55 55 GLY N N 55 110.691 108.395 2.296 1
1 532 . 2 1 1 A 56 56 LEU H H 56 8.542 8.899 -0.357 1
1 533 . 2 1 1 A 56 56 LEU HA H 56 5.138 5.132 0.006 1
1 543 . 2 1 1 A 56 56 LEU CA C 56 54.213 53.949 0.264 1
1 544 . 2 1 1 A 56 56 LEU CB C 56 45.206 45.689 -0.483 1
1 548 . 2 1 1 A 56 56 LEU N N 56 125.972 125.129 0.843 1
1 549 . 2 1 1 A 57 57 ALA H H 57 8.594 9.194 -0.600 1
1 550 . 2 1 1 A 57 57 ALA HA H 57 4.790 5.062 -0.272 1
1 554 . 2 1 1 A 57 57 ALA CA C 57 51.318 50.281 1.037 1
1 555 . 2 1 1 A 57 57 ALA CB C 57 22.564 20.310 2.254 1
1 556 . 2 1 1 A 57 57 ALA N N 57 124.534 127.103 -2.569 1
1 557 . 2 1 1 A 58 58 THR H H 58 8.602 8.999 -0.397 1
1 558 . 2 1 1 A 58 58 THR HA H 58 4.862 4.629 0.233 1
1 563 . 2 1 1 A 58 58 THR CA C 58 62.034 60.058 1.976 1
1 564 . 2 1 1 A 58 58 THR CB C 58 72.197 71.016 1.181 1
1 566 . 2 1 1 A 58 58 THR N N 58 119.396 119.273 0.123 1
1 567 . 2 1 1 A 59 59 GLU H H 59 8.883 8.555 0.328 1
1 568 . 2 1 1 A 59 59 GLU HA H 59 4.378 4.482 -0.104 1
1 573 . 2 1 1 A 59 59 GLU CA C 59 54.955 54.967 -0.012 1
1 574 . 2 1 1 A 59 59 GLU CB C 59 31.121 30.450 0.671 1
1 576 . 2 1 1 A 59 59 GLU N N 59 128.594 127.654 0.940 1
1 577 . 2 1 1 A 60 60 GLY H H 60 9.045 8.896 0.149 1
1 578 . 2 1 1 A 60 60 GLY HA2 H 60 4.081 3.850 0.231 1
1 579 . 2 1 1 A 60 60 GLY HA3 H 60 3.529 3.855 -0.326 1
1 580 . 2 1 1 A 60 60 GLY CA C 60 47.127 47.210 -0.083 1
1 581 . 2 1 1 A 60 60 GLY N N 60 117.047 115.954 1.093 1
1 582 . 2 1 1 A 61 61 THR H H 61 8.332 8.582 -0.250 1
1 583 . 2 1 1 A 61 61 THR HA H 61 4.129 4.473 -0.344 1
1 588 . 2 1 1 A 61 61 THR CA C 61 61.659 61.792 -0.133 1
1 589 . 2 1 1 A 61 61 THR CB C 61 68.477 69.768 -1.291 1
1 591 . 2 1 1 A 61 61 THR N N 61 118.086 119.298 -1.212 1
1 592 . 2 1 1 A 62 62 ARG H H 62 7.906 7.375 0.531 1
1 593 . 2 1 1 A 62 62 ARG HA H 62 4.754 5.031 -0.277 1
1 600 . 2 1 1 A 62 62 ARG CA C 62 56.040 54.757 1.283 1
1 601 . 2 1 1 A 62 62 ARG CB C 62 31.775 32.096 -0.321 1
1 604 . 2 1 1 A 62 62 ARG N N 62 121.911 121.413 0.498 1
1 605 . 2 1 1 A 63 63 HIS H H 63 9.212 9.362 -0.150 1
1 606 . 2 1 1 A 63 63 HIS HA H 63 5.364 5.610 -0.246 1
1 611 . 2 1 1 A 63 63 HIS CA C 63 55.066 54.135 0.931 1
1 612 . 2 1 1 A 63 63 HIS CB C 63 33.860 33.188 0.672 1
1 614 . 2 1 1 A 63 63 HIS N N 63 127.111 122.108 5.003 1
1 615 . 2 1 1 A 64 64 THR H H 64 9.261 8.541 0.720 1
1 616 . 2 1 1 A 64 64 THR HA H 64 5.510 5.274 0.236 1
1 621 . 2 1 1 A 64 64 THR CA C 64 60.691 61.594 -0.903 1
1 622 . 2 1 1 A 64 64 THR CB C 64 71.788 71.980 -0.192 1
1 624 . 2 1 1 A 64 64 THR N N 64 117.400 114.308 3.092 1
1 625 . 2 1 1 A 65 65 LEU H H 65 8.456 9.038 -0.582 1
1 626 . 2 1 1 A 65 65 LEU HA H 65 4.642 5.091 -0.449 1
1 636 . 2 1 1 A 65 65 LEU CA C 65 52.783 53.018 -0.235 1
1 637 . 2 1 1 A 65 65 LEU CB C 65 41.350 43.731 -2.381 1
1 641 . 2 1 1 A 65 65 LEU N N 65 129.806 129.489 0.317 1
1 642 . 2 1 1 A 66 66 THR H H 66 9.381 8.930 0.451 1
1 643 . 2 1 1 A 66 66 THR HA H 66 4.975 4.867 0.108 1
1 648 . 2 1 1 A 66 66 THR CA C 66 61.072 61.977 -0.905 1
1 649 . 2 1 1 A 66 66 THR CB C 66 70.346 69.378 0.968 1
1 651 . 2 1 1 A 66 66 THR N N 66 123.110 123.876 -0.766 1
1 652 . 2 1 1 A 67 67 VAL H H 67 9.493 9.145 0.348 1
1 653 . 2 1 1 A 67 67 VAL HA H 67 4.317 4.732 -0.415 1
1 661 . 2 1 1 A 67 67 VAL CA C 67 61.300 59.973 1.327 1
1 662 . 2 1 1 A 67 67 VAL CB C 67 31.636 34.568 -2.932 1
1 665 . 2 1 1 A 67 67 VAL N N 67 128.451 127.441 1.010 1
1 666 . 2 1 1 A 68 68 ARG H H 68 8.500 8.769 -0.269 1
1 667 . 2 1 1 A 68 68 ARG HA H 68 3.839 4.322 -0.483 1
1 674 . 2 1 1 A 68 68 ARG CA C 68 57.379 56.614 0.765 1
1 675 . 2 1 1 A 68 68 ARG CB C 68 30.481 30.371 0.110 1
1 678 . 2 1 1 A 68 68 ARG N N 68 124.308 128.848 -4.540 1
1 679 . 2 1 1 A 69 69 GLU H H 69 8.545 7.962 0.583 1
1 680 . 2 1 1 A 69 69 GLU HA H 69 3.147 4.093 -0.946 1
1 685 . 2 1 1 A 69 69 GLU CA C 69 55.733 57.941 -2.208 1
1 686 . 2 1 1 A 69 69 GLU CB C 69 28.793 29.681 -0.888 1
1 688 . 2 1 1 A 69 69 GLU N N 69 118.177 119.421 -1.244 1
1 689 . 2 1 1 A 70 70 VAL H H 70 7.771 7.370 0.401 1
1 690 . 2 1 1 A 70 70 VAL HA H 70 3.810 3.963 -0.153 1
1 698 . 2 1 1 A 70 70 VAL CA C 70 63.848 62.671 1.177 1
1 699 . 2 1 1 A 70 70 VAL CB C 70 31.885 32.364 -0.479 1
1 702 . 2 1 1 A 70 70 VAL N N 70 117.579 119.464 -1.885 1
1 703 . 2 1 1 A 71 71 GLY H H 71 9.389 8.477 0.912 1
1 704 . 2 1 1 A 71 71 GLY HA2 H 71 4.470 4.214 0.256 1
1 705 . 2 1 1 A 71 71 GLY HA3 H 71 3.895 4.215 -0.320 1
1 706 . 2 1 1 A 71 71 GLY CA C 71 43.915 44.965 -1.050 1
1 707 . 2 1 1 A 71 71 GLY N N 71 114.169 114.714 -0.545 1
1 708 . 2 1 1 A 72 72 PRO HA H 72 4.038 4.429 -0.391 1
1 715 . 2 1 1 A 72 72 PRO CA C 72 65.800 64.846 0.954 1
1 716 . 2 1 1 A 72 72 PRO CB C 72 31.553 31.834 -0.281 1
1 719 . 2 1 1 A 73 73 ALA H H 73 8.558 8.356 0.202 1
1 720 . 2 1 1 A 73 73 ALA HA H 73 4.186 4.310 -0.124 1
1 724 . 2 1 1 A 73 73 ALA CA C 73 53.826 53.429 0.397 1
1 725 . 2 1 1 A 73 73 ALA CB C 73 18.152 19.182 -1.030 1
1 726 . 2 1 1 A 73 73 ALA N N 73 118.164 119.677 -1.513 1
1 727 . 2 1 1 A 74 74 ASP H H 74 8.381 7.810 0.571 1
1 728 . 2 1 1 A 74 74 ASP HA H 74 4.586 4.668 -0.082 1
1 731 . 2 1 1 A 74 74 ASP CA C 74 55.178 54.596 0.582 1
1 732 . 2 1 1 A 74 74 ASP CB C 74 42.280 40.887 1.393 1
1 733 . 2 1 1 A 74 74 ASP N N 74 113.856 117.933 -4.077 1
1 734 . 2 1 1 A 75 75 GLN H H 75 7.409 7.805 -0.396 1
1 735 . 2 1 1 A 75 75 GLN HA H 75 4.252 4.657 -0.405 1
1 740 . 2 1 1 A 75 75 GLN CA C 75 56.682 54.928 1.754 1
1 741 . 2 1 1 A 75 75 GLN CB C 75 30.337 27.074 3.263 1
1 743 . 2 1 1 A 75 75 GLN N N 75 119.456 119.710 -0.254 1
1 744 . 2 1 1 A 76 76 GLY H H 76 8.984 8.421 0.563 1
1 745 . 2 1 1 A 76 76 GLY HA2 H 76 4.610 4.048 0.562 1
1 746 . 2 1 1 A 76 76 GLY HA3 H 76 3.863 4.066 -0.203 1
1 747 . 2 1 1 A 76 76 GLY CA C 76 44.149 44.625 -0.476 1
1 748 . 2 1 1 A 76 76 GLY N N 76 112.000 112.119 -0.119 1
1 749 . 2 1 1 A 77 77 SER H H 77 8.106 8.689 -0.583 1
1 750 . 2 1 1 A 77 77 SER HA H 77 5.009 5.456 -0.447 1
1 753 . 2 1 1 A 77 77 SER CA C 77 58.199 56.371 1.828 1
1 754 . 2 1 1 A 77 77 SER CB C 77 64.099 65.928 -1.829 1
1 755 . 2 1 1 A 77 77 SER N N 77 114.587 116.337 -1.750 1
1 756 . 2 1 1 A 78 78 TYR H H 78 9.056 9.002 0.054 1
1 757 . 2 1 1 A 78 78 TYR HA H 78 4.530 4.847 -0.317 1
1 764 . 2 1 1 A 78 78 TYR CA C 78 56.450 56.414 0.036 1
1 765 . 2 1 1 A 78 78 TYR CB C 78 43.805 38.761 5.044 1
1 770 . 2 1 1 A 78 78 TYR N N 78 127.751 123.323 4.428 1
1 771 . 2 1 1 A 79 79 ALA H H 79 8.558 8.678 -0.120 1
1 772 . 2 1 1 A 79 79 ALA HA H 79 5.233 5.340 -0.107 1
1 776 . 2 1 1 A 79 79 ALA CA C 79 50.806 49.876 0.930 1
1 777 . 2 1 1 A 79 79 ALA CB C 79 23.130 22.409 0.721 1
1 778 . 2 1 1 A 79 79 ALA N N 79 118.647 126.107 -7.460 1
1 779 . 2 1 1 A 80 80 VAL H H 80 8.717 8.529 0.188 1
1 780 . 2 1 1 A 80 80 VAL HA H 80 4.905 4.597 0.308 1
1 788 . 2 1 1 A 80 80 VAL CA C 80 58.760 60.173 -1.413 1
1 789 . 2 1 1 A 80 80 VAL CB C 80 35.087 34.616 0.471 1
1 792 . 2 1 1 A 80 80 VAL N N 80 118.846 118.136 0.710 1
1 793 . 2 1 1 A 81 81 ILE H H 81 8.739 8.881 -0.142 1
1 794 . 2 1 1 A 81 81 ILE HA H 81 5.012 5.146 -0.134 1
1 804 . 2 1 1 A 81 81 ILE CA C 81 59.751 59.752 -0.001 1
1 805 . 2 1 1 A 81 81 ILE CB C 81 42.030 41.133 0.897 1
1 809 . 2 1 1 A 81 81 ILE N N 81 126.232 129.860 -3.628 1
1 810 . 2 1 1 A 82 82 ALA H H 82 8.388 8.624 -0.236 1
1 811 . 2 1 1 A 82 82 ALA HA H 82 4.449 4.488 -0.039 1
1 815 . 2 1 1 A 82 82 ALA CA C 82 50.839 50.834 0.005 1
1 816 . 2 1 1 A 82 82 ALA CB C 82 21.160 20.181 0.979 1
1 817 . 2 1 1 A 82 82 ALA N N 82 128.273 127.302 0.971 1
1 818 . 2 1 1 A 83 83 GLY H H 83 8.841 8.984 -0.143 1
1 819 . 2 1 1 A 83 83 GLY HA2 H 83 3.815 3.841 -0.026 1
1 820 . 2 1 1 A 83 83 GLY HA3 H 83 3.509 3.848 -0.339 1
1 821 . 2 1 1 A 83 83 GLY CA C 83 46.917 47.311 -0.394 1
1 822 . 2 1 1 A 83 83 GLY N N 83 113.065 115.563 -2.498 1
1 823 . 2 1 1 A 85 85 SER H H 85 8.423 7.862 0.561 1
1 824 . 2 1 1 A 85 85 SER HA H 85 4.659 4.429 0.230 1
1 827 . 2 1 1 A 85 85 SER CA C 85 58.485 58.829 -0.344 1
1 828 . 2 1 1 A 85 85 SER CB C 85 64.397 63.818 0.579 1
1 829 . 2 1 1 A 85 85 SER N N 85 119.428 116.557 2.871 1
1 830 . 2 1 1 A 86 86 LYS H H 86 8.490 8.461 0.029 1
1 831 . 2 1 1 A 86 86 LYS HA H 86 5.243 5.095 0.148 1
1 840 . 2 1 1 A 86 86 LYS CA C 86 54.822 54.716 0.106 1
1 841 . 2 1 1 A 86 86 LYS CB C 86 35.340 35.832 -0.492 1
1 845 . 2 1 1 A 86 86 LYS N N 86 125.678 126.265 -0.587 1
1 846 . 2 1 1 A 87 87 VAL H H 87 8.863 8.521 0.342 1
1 847 . 2 1 1 A 87 87 VAL HA H 87 4.300 4.755 -0.455 1
1 855 . 2 1 1 A 87 87 VAL CA C 87 60.870 58.717 2.153 1
1 856 . 2 1 1 A 87 87 VAL CB C 87 34.228 35.397 -1.169 1
1 859 . 2 1 1 A 87 87 VAL N N 87 126.631 119.859 6.772 1
1 860 . 2 1 1 A 88 88 LYS H H 88 8.475 8.986 -0.511 1
1 861 . 2 1 1 A 88 88 LYS HA H 88 5.065 4.961 0.104 1
1 870 . 2 1 1 A 88 88 LYS CA C 88 55.124 54.450 0.674 1
1 871 . 2 1 1 A 88 88 LYS CB C 88 34.479 36.174 -1.695 1
1 874 . 2 1 1 A 88 88 LYS N N 88 125.592 121.590 4.002 1
1 875 . 2 1 1 A 89 89 PHE H H 89 8.152 8.285 -0.133 1
1 876 . 2 1 1 A 89 89 PHE HA H 89 4.601 5.646 -1.045 1
1 884 . 2 1 1 A 89 89 PHE CA C 89 56.311 55.093 1.218 1
1 885 . 2 1 1 A 89 89 PHE CB C 89 39.383 42.347 -2.964 1
1 888 . 2 1 1 A 89 89 PHE N N 89 119.005 117.119 1.886 1
1 889 . 2 1 1 A 90 90 ASP H H 90 9.006 9.035 -0.029 1
1 890 . 2 1 1 A 90 90 ASP HA H 90 5.565 5.184 0.381 1
1 893 . 2 1 1 A 90 90 ASP CA C 90 53.532 54.079 -0.547 1
1 894 . 2 1 1 A 90 90 ASP CB C 90 45.151 42.815 2.336 1
1 895 . 2 1 1 A 90 90 ASP N N 90 118.742 119.930 -1.188 1
1 896 . 2 1 1 A 91 91 LEU H H 91 8.733 9.130 -0.397 1
1 897 . 2 1 1 A 91 91 LEU HA H 91 5.137 5.234 -0.097 1
1 907 . 2 1 1 A 91 91 LEU CA C 91 54.171 53.728 0.443 1
1 908 . 2 1 1 A 91 91 LEU CB C 91 45.625 44.850 0.775 1
1 911 . 2 1 1 A 91 91 LEU N N 91 121.344 126.277 -4.933 1
1 912 . 2 1 1 A 92 92 LYS H H 92 8.892 8.736 0.156 1
1 913 . 2 1 1 A 92 92 LYS HA H 92 4.733 4.654 0.079 1
1 922 . 2 1 1 A 92 92 LYS CA C 92 54.910 56.208 -1.298 1
1 923 . 2 1 1 A 92 92 LYS CB C 92 35.261 33.564 1.697 1
1 927 . 2 1 1 A 92 92 LYS N N 92 128.486 127.142 1.344 1
1 928 . 2 1 1 A 93 93 VAL H H 93 8.563 8.609 -0.046 1
1 929 . 2 1 1 A 93 93 VAL HA H 93 4.818 5.247 -0.429 1
1 937 . 2 1 1 A 93 93 VAL CA C 93 60.568 61.084 -0.516 1
1 938 . 2 1 1 A 93 93 VAL CB C 93 33.024 34.428 -1.404 1
1 941 . 2 1 1 A 93 93 VAL N N 93 124.459 122.078 2.381 1
1 942 . 2 1 1 A 94 94 ILE H H 94 8.395 8.851 -0.456 1
1 943 . 2 1 1 A 94 94 ILE HA H 94 4.162 4.641 -0.479 1
1 953 . 2 1 1 A 94 94 ILE CA C 94 60.238 60.158 0.080 1
1 954 . 2 1 1 A 94 94 ILE CB C 94 39.279 40.034 -0.755 1
1 958 . 2 1 1 A 94 94 ILE N N 94 126.433 127.126 -0.693 1
1 1 . 3 1 1 A 3 3 PRO HA H 3 4.235 4.589 -0.354 1
1 8 . 3 1 1 A 3 3 PRO CA C 3 63.375 63.029 0.346 1
1 9 . 3 1 1 A 3 3 PRO CB C 3 31.835 31.938 -0.103 1
1 11 . 3 1 1 A 4 4 GLY H H 4 8.439 8.617 -0.178 1
1 12 . 3 1 1 A 4 4 GLY HA2 H 4 3.854 3.843 0.011 1
1 13 . 3 1 1 A 4 4 GLY HA3 H 4 3.819 3.843 -0.024 1
1 14 . 3 1 1 A 4 4 GLY CA C 4 45.043 47.208 -2.165 1
1 15 . 3 1 1 A 4 4 GLY N N 4 108.904 109.947 -1.043 1
1 16 . 3 1 1 A 5 5 LYS H H 5 7.974 7.753 0.221 1
1 17 . 3 1 1 A 5 5 LYS HA H 5 4.265 4.697 -0.432 1
1 26 . 3 1 1 A 5 5 LYS CA C 5 55.709 54.953 0.756 1
1 27 . 3 1 1 A 5 5 LYS CB C 5 33.081 34.214 -1.133 1
1 31 . 3 1 1 A 5 5 LYS N N 5 120.616 119.298 1.318 1
1 32 . 3 1 1 A 6 6 LYS H H 6 8.291 8.558 -0.267 1
1 33 . 3 1 1 A 6 6 LYS HA H 6 4.505 4.638 -0.133 1
1 36 . 3 1 1 A 6 6 LYS CA C 6 54.105 54.045 0.060 1
1 37 . 3 1 1 A 6 6 LYS CB C 6 32.381 31.607 0.774 1
1 38 . 3 1 1 A 6 6 LYS N N 6 124.267 123.762 0.505 1
1 39 . 3 1 1 A 7 7 PRO HA H 7 4.371 4.533 -0.162 1
1 46 . 3 1 1 A 7 7 PRO CA C 7 62.738 62.855 -0.117 1
1 47 . 3 1 1 A 7 7 PRO CB C 7 31.942 31.802 0.140 1
1 50 . 3 1 1 A 8 8 VAL H H 8 8.244 8.334 -0.090 1
1 51 . 3 1 1 A 8 8 VAL HA H 8 4.012 3.926 0.086 1
1 59 . 3 1 1 A 8 8 VAL CA C 8 61.883 62.178 -0.295 1
1 60 . 3 1 1 A 8 8 VAL CB C 8 32.743 31.144 1.599 1
1 63 . 3 1 1 A 8 8 VAL N N 8 120.593 124.007 -3.414 1
1 64 . 3 1 1 A 9 9 SER H H 9 8.296 8.873 -0.577 1
1 65 . 3 1 1 A 9 9 SER HA H 9 4.315 4.458 -0.143 1
1 68 . 3 1 1 A 9 9 SER CA C 9 57.429 58.740 -1.311 1
1 69 . 3 1 1 A 9 9 SER CB C 9 63.804 63.605 0.199 1
1 70 . 3 1 1 A 9 9 SER N N 9 118.557 123.906 -5.349 1
1 71 . 3 1 1 A 10 10 ALA H H 10 8.214 8.782 -0.568 1
1 72 . 3 1 1 A 10 10 ALA HA H 10 4.069 4.616 -0.547 1
1 76 . 3 1 1 A 10 10 ALA CA C 10 53.042 51.308 1.734 1
1 77 . 3 1 1 A 10 10 ALA CB C 10 19.919 20.060 -0.141 1
1 78 . 3 1 1 A 10 10 ALA N N 10 125.277 127.517 -2.240 1
1 79 . 3 1 1 A 11 11 PHE H H 11 8.238 7.796 0.442 1
1 80 . 3 1 1 A 11 11 PHE HA H 11 4.816 4.997 -0.181 1
1 88 . 3 1 1 A 11 11 PHE CA C 11 57.727 56.284 1.443 1
1 89 . 3 1 1 A 11 11 PHE CB C 11 39.854 38.784 1.070 1
1 94 . 3 1 1 A 11 11 PHE N N 11 114.771 118.143 -3.372 1
1 95 . 3 1 1 A 12 12 SER H H 12 8.809 8.871 -0.062 1
1 96 . 3 1 1 A 12 12 SER HA H 12 4.395 4.247 0.148 1
1 99 . 3 1 1 A 12 12 SER CA C 12 58.641 62.011 -3.370 1
1 100 . 3 1 1 A 12 12 SER CB C 12 63.274 62.991 0.283 1
1 101 . 3 1 1 A 12 12 SER N N 12 119.399 121.549 -2.150 1
1 102 . 3 1 1 A 13 13 LYS H H 13 7.884 7.890 -0.006 1
1 103 . 3 1 1 A 13 13 LYS HA H 13 4.575 4.851 -0.276 1
1 112 . 3 1 1 A 13 13 LYS CA C 13 56.362 55.254 1.108 1
1 113 . 3 1 1 A 13 13 LYS CB C 13 35.664 35.172 0.492 1
1 114 . 3 1 1 A 13 13 LYS N N 13 121.565 120.618 0.947 1
1 115 . 3 1 1 A 14 14 LYS H H 14 8.744 8.604 0.140 1
1 116 . 3 1 1 A 14 14 LYS HA H 14 4.313 4.532 -0.219 1
1 123 . 3 1 1 A 14 14 LYS CA C 14 53.374 54.347 -0.973 1
1 124 . 3 1 1 A 14 14 LYS CB C 14 32.741 33.016 -0.275 1
1 127 . 3 1 1 A 14 14 LYS N N 14 125.096 127.822 -2.726 1
1 128 . 3 1 1 A 15 15 PRO HA H 15 4.693 4.912 -0.219 1
1 135 . 3 1 1 A 15 15 PRO CA C 15 62.248 62.174 0.074 1
1 136 . 3 1 1 A 15 15 PRO CB C 15 31.343 29.202 2.141 1
1 139 . 3 1 1 A 16 16 ARG H H 16 8.118 7.835 0.283 1
1 140 . 3 1 1 A 16 16 ARG HA H 16 4.592 4.391 0.201 1
1 147 . 3 1 1 A 16 16 ARG CA C 16 53.951 56.898 -2.947 1
1 148 . 3 1 1 A 16 16 ARG CB C 16 32.456 31.044 1.412 1
1 151 . 3 1 1 A 16 16 ARG N N 16 119.622 124.157 -4.535 1
1 152 . 3 1 1 A 17 17 SER H H 17 8.511 8.645 -0.134 1
1 153 . 3 1 1 A 17 17 SER HA H 17 5.281 4.622 0.659 1
1 156 . 3 1 1 A 17 17 SER CA C 17 59.888 58.690 1.198 1
1 157 . 3 1 1 A 17 17 SER CB C 17 63.405 64.415 -1.010 1
1 158 . 3 1 1 A 17 17 SER N N 17 117.935 116.127 1.808 1
1 159 . 3 1 1 A 18 18 VAL H H 18 8.389 8.779 -0.390 1
1 160 . 3 1 1 A 18 18 VAL HA H 18 4.660 4.829 -0.169 1
1 168 . 3 1 1 A 18 18 VAL CA C 18 60.004 59.743 0.261 1
1 169 . 3 1 1 A 18 18 VAL CB C 18 36.675 35.809 0.866 1
1 172 . 3 1 1 A 18 18 VAL N N 18 117.416 120.740 -3.324 1
1 173 . 3 1 1 A 19 19 GLU H H 19 8.190 8.727 -0.537 1
1 174 . 3 1 1 A 19 19 GLU HA H 19 5.351 5.505 -0.154 1
1 179 . 3 1 1 A 19 19 GLU CA C 19 54.138 54.857 -0.719 1
1 180 . 3 1 1 A 19 19 GLU CB C 19 31.658 32.515 -0.857 1
1 181 . 3 1 1 A 19 19 GLU N N 19 124.652 126.139 -1.487 1
1 182 . 3 1 1 A 20 20 VAL H H 20 8.616 8.625 -0.009 1
1 183 . 3 1 1 A 20 20 VAL HA H 20 4.491 4.749 -0.258 1
1 191 . 3 1 1 A 20 20 VAL CA C 20 59.013 59.445 -0.432 1
1 192 . 3 1 1 A 20 20 VAL CB C 20 36.048 35.733 0.315 1
1 195 . 3 1 1 A 20 20 VAL N N 20 120.245 118.957 1.288 1
1 196 . 3 1 1 A 21 21 ALA H H 21 8.375 8.548 -0.173 1
1 197 . 3 1 1 A 21 21 ALA HA H 21 4.364 4.557 -0.193 1
1 201 . 3 1 1 A 21 21 ALA CA C 21 51.307 52.174 -0.867 1
1 202 . 3 1 1 A 21 21 ALA CB C 21 18.726 19.127 -0.401 1
1 203 . 3 1 1 A 21 21 ALA N N 21 126.173 125.497 0.676 1
1 204 . 3 1 1 A 22 22 ALA H H 22 8.287 8.156 0.131 1
1 205 . 3 1 1 A 22 22 ALA HA H 22 3.899 3.993 -0.094 1
1 209 . 3 1 1 A 22 22 ALA CA C 22 53.104 54.012 -0.908 1
1 210 . 3 1 1 A 22 22 ALA CB C 22 17.631 18.503 -0.872 1
1 211 . 3 1 1 A 22 22 ALA N N 22 123.045 123.248 -0.203 1
1 212 . 3 1 1 A 23 23 GLY H H 23 9.862 8.834 1.028 1
1 213 . 3 1 1 A 23 23 GLY HA2 H 23 3.255 3.985 -0.730 1
1 214 . 3 1 1 A 23 23 GLY HA3 H 23 4.371 3.988 0.383 1
1 215 . 3 1 1 A 23 23 GLY CA C 23 44.741 45.016 -0.275 1
1 216 . 3 1 1 A 23 23 GLY N N 23 112.047 111.470 0.577 1
1 217 . 3 1 1 A 24 24 SER H H 24 7.944 7.968 -0.024 1
1 218 . 3 1 1 A 24 24 SER HA H 24 4.750 4.490 0.260 1
1 221 . 3 1 1 A 24 24 SER CA C 24 57.787 56.748 1.039 1
1 222 . 3 1 1 A 24 24 SER CB C 24 63.296 63.739 -0.443 1
1 223 . 3 1 1 A 24 24 SER N N 24 119.405 117.928 1.477 1
1 224 . 3 1 1 A 25 25 PRO HA H 25 5.142 4.652 0.490 1
1 231 . 3 1 1 A 25 25 PRO CA C 25 61.743 62.718 -0.975 1
1 232 . 3 1 1 A 25 25 PRO CB C 25 31.751 32.275 -0.524 1
1 235 . 3 1 1 A 26 26 ALA H H 26 8.688 8.176 0.512 1
1 236 . 3 1 1 A 26 26 ALA HA H 26 4.396 4.884 -0.488 1
1 240 . 3 1 1 A 26 26 ALA CA C 26 49.972 50.781 -0.809 1
1 241 . 3 1 1 A 26 26 ALA CB C 26 22.877 22.282 0.595 1
1 242 . 3 1 1 A 26 26 ALA N N 26 123.024 123.022 0.002 1
1 243 . 3 1 1 A 27 27 VAL H H 27 7.751 8.752 -1.001 1
1 244 . 3 1 1 A 27 27 VAL HA H 27 4.522 5.058 -0.536 1
1 252 . 3 1 1 A 27 27 VAL CA C 27 60.899 59.222 1.677 1
1 253 . 3 1 1 A 27 27 VAL CB C 27 33.331 35.240 -1.909 1
1 255 . 3 1 1 A 27 27 VAL N N 27 121.938 122.092 -0.154 1
1 256 . 3 1 1 A 28 28 PHE H H 28 9.196 8.970 0.226 1
1 257 . 3 1 1 A 28 28 PHE HA H 28 4.561 5.175 -0.614 1
1 265 . 3 1 1 A 28 28 PHE CA C 28 56.051 55.990 0.061 1
1 266 . 3 1 1 A 28 28 PHE CB C 28 42.218 42.407 -0.189 1
1 271 . 3 1 1 A 28 28 PHE N N 28 126.818 125.687 1.131 1
1 272 . 3 1 1 A 29 29 GLU H H 29 8.583 8.734 -0.151 1
1 273 . 3 1 1 A 29 29 GLU HA H 29 5.405 5.164 0.241 1
1 278 . 3 1 1 A 29 29 GLU CA C 29 54.508 55.100 -0.592 1
1 279 . 3 1 1 A 29 29 GLU CB C 29 33.692 31.917 1.775 1
1 280 . 3 1 1 A 29 29 GLU N N 29 120.733 121.508 -0.775 1
1 281 . 3 1 1 A 30 30 ALA H H 30 9.484 9.758 -0.274 1
1 282 . 3 1 1 A 30 30 ALA HA H 30 4.691 5.365 -0.674 1
1 286 . 3 1 1 A 30 30 ALA CA C 30 49.421 50.828 -1.407 1
1 287 . 3 1 1 A 30 30 ALA CB C 30 23.523 21.863 1.660 1
1 288 . 3 1 1 A 30 30 ALA N N 30 124.341 127.307 -2.966 1
1 289 . 3 1 1 A 31 31 GLU H H 31 9.001 9.480 -0.479 1
1 290 . 3 1 1 A 31 31 GLU HA H 31 6.016 5.237 0.779 1
1 295 . 3 1 1 A 31 31 GLU CA C 31 54.301 55.309 -1.008 1
1 296 . 3 1 1 A 31 31 GLU CB C 31 33.336 32.276 1.060 1
1 298 . 3 1 1 A 31 31 GLU N N 31 120.169 124.096 -3.927 1
1 299 . 3 1 1 A 32 32 THR H H 32 9.330 9.211 0.119 1
1 300 . 3 1 1 A 32 32 THR HA H 32 4.842 4.411 0.431 1
1 305 . 3 1 1 A 32 32 THR CA C 32 59.738 59.905 -0.167 1
1 306 . 3 1 1 A 32 32 THR CB C 32 69.791 71.184 -1.393 1
1 308 . 3 1 1 A 32 32 THR N N 32 115.538 116.404 -0.866 1
1 309 . 3 1 1 A 33 33 GLU H H 33 7.950 8.798 -0.848 1
1 310 . 3 1 1 A 33 33 GLU HA H 33 3.944 4.405 -0.461 1
1 315 . 3 1 1 A 33 33 GLU CA C 33 58.563 57.793 0.770 1
1 316 . 3 1 1 A 33 33 GLU CB C 33 29.836 30.312 -0.476 1
1 318 . 3 1 1 A 33 33 GLU N N 33 119.723 121.642 -1.919 1
1 319 . 3 1 1 A 34 34 ARG H H 34 7.791 7.446 0.345 1
1 320 . 3 1 1 A 34 34 ARG HA H 34 4.490 4.891 -0.401 1
1 327 . 3 1 1 A 34 34 ARG CA C 34 53.485 54.011 -0.526 1
1 328 . 3 1 1 A 34 34 ARG CB C 34 32.411 33.901 -1.490 1
1 331 . 3 1 1 A 34 34 ARG N N 34 113.251 120.074 -6.823 1
1 332 . 3 1 1 A 35 35 ALA H H 35 8.614 8.606 0.008 1
1 333 . 3 1 1 A 35 35 ALA HA H 35 4.050 4.290 -0.240 1
1 337 . 3 1 1 A 35 35 ALA CA C 35 51.762 52.781 -1.019 1
1 338 . 3 1 1 A 35 35 ALA N N 35 125.041 127.650 -2.609 1
1 339 . 3 1 1 A 36 36 GLY H H 36 8.647 8.805 -0.158 1
1 340 . 3 1 1 A 36 36 GLY HA2 H 36 3.634 3.856 -0.222 1
1 341 . 3 1 1 A 36 36 GLY HA3 H 36 3.960 3.871 0.089 1
1 342 . 3 1 1 A 36 36 GLY CA C 36 45.703 46.124 -0.421 1
1 343 . 3 1 1 A 36 36 GLY N N 36 108.031 109.394 -1.363 1
1 344 . 3 1 1 A 37 37 VAL H H 37 7.077 7.832 -0.755 1
1 345 . 3 1 1 A 37 37 VAL HA H 37 3.869 4.425 -0.556 1
1 353 . 3 1 1 A 37 37 VAL CA C 37 61.469 61.160 0.309 1
1 354 . 3 1 1 A 37 37 VAL CB C 37 32.942 33.279 -0.337 1
1 357 . 3 1 1 A 37 37 VAL N N 37 119.457 120.974 -1.517 1
1 358 . 3 1 1 A 38 38 LYS H H 38 8.467 8.608 -0.141 1
1 359 . 3 1 1 A 38 38 LYS HA H 38 4.267 4.870 -0.603 1
1 366 . 3 1 1 A 38 38 LYS CA C 38 55.873 55.512 0.361 1
1 367 . 3 1 1 A 38 38 LYS CB C 38 30.881 33.339 -2.458 1
1 370 . 3 1 1 A 38 38 LYS N N 38 128.214 127.377 0.837 1
1 371 . 3 1 1 A 39 39 VAL H H 39 7.993 8.979 -0.986 1
1 372 . 3 1 1 A 39 39 VAL HA H 39 4.537 4.713 -0.176 1
1 380 . 3 1 1 A 39 39 VAL CA C 39 60.114 61.429 -1.315 1
1 381 . 3 1 1 A 39 39 VAL CB C 39 33.719 32.075 1.644 1
1 384 . 3 1 1 A 39 39 VAL N N 39 123.133 125.483 -2.350 1
1 385 . 3 1 1 A 40 40 ARG H H 40 8.507 8.753 -0.246 1
1 386 . 3 1 1 A 40 40 ARG HA H 40 4.503 4.825 -0.322 1
1 393 . 3 1 1 A 40 40 ARG CA C 40 54.098 55.363 -1.265 1
1 394 . 3 1 1 A 40 40 ARG CB C 40 33.701 31.505 2.196 1
1 397 . 3 1 1 A 40 40 ARG N N 40 124.492 128.456 -3.964 1
1 398 . 3 1 1 A 41 41 TRP H H 41 9.083 8.985 0.098 1
1 399 . 3 1 1 A 41 41 TRP HA H 41 5.311 5.452 -0.141 1
1 408 . 3 1 1 A 41 41 TRP CA C 41 55.134 55.957 -0.823 1
1 409 . 3 1 1 A 41 41 TRP CB C 41 31.370 32.596 -1.226 1
1 413 . 3 1 1 A 41 41 TRP N N 41 123.367 126.094 -2.727 1
1 415 . 3 1 1 A 42 42 GLN H H 42 9.532 9.188 0.344 1
1 416 . 3 1 1 A 42 42 GLN HA H 42 5.159 4.923 0.236 1
1 423 . 3 1 1 A 42 42 GLN CA C 42 54.445 54.485 -0.040 1
1 424 . 3 1 1 A 42 42 GLN CB C 42 34.775 32.792 1.983 1
1 426 . 3 1 1 A 42 42 GLN N N 42 118.692 121.902 -3.210 1
1 427 . 3 1 1 A 43 43 ARG H H 43 8.209 9.079 -0.870 1
1 428 . 3 1 1 A 43 43 ARG HA H 43 4.039 4.199 -0.160 1
1 435 . 3 1 1 A 43 43 ARG CA C 43 54.790 54.392 0.398 1
1 436 . 3 1 1 A 43 43 ARG CB C 43 32.202 31.417 0.785 1
1 439 . 3 1 1 A 43 43 ARG N N 43 119.579 126.009 -6.430 1
1 440 . 3 1 1 A 46 46 SER H H 46 7.513 8.196 -0.683 1
1 441 . 3 1 1 A 46 46 SER HA H 46 4.674 4.259 0.415 1
1 444 . 3 1 1 A 46 46 SER CA C 46 56.766 59.051 -2.285 1
1 445 . 3 1 1 A 46 46 SER CB C 46 64.815 63.044 1.771 1
1 446 . 3 1 1 A 46 46 SER N N 46 114.927 118.266 -3.339 1
1 447 . 3 1 1 A 47 47 ASP H H 47 8.698 8.567 0.131 1
1 448 . 3 1 1 A 47 47 ASP HA H 47 4.830 4.587 0.243 1
1 451 . 3 1 1 A 47 47 ASP CA C 47 55.177 54.789 0.388 1
1 452 . 3 1 1 A 47 47 ASP CB C 47 40.385 40.808 -0.423 1
1 453 . 3 1 1 A 47 47 ASP N N 47 125.553 125.691 -0.138 1
1 454 . 3 1 1 A 48 48 ILE H H 48 8.781 8.942 -0.161 1
1 455 . 3 1 1 A 48 48 ILE HA H 48 3.879 4.491 -0.612 1
1 465 . 3 1 1 A 48 48 ILE CA C 48 61.218 59.953 1.265 1
1 466 . 3 1 1 A 48 48 ILE CB C 48 39.345 39.055 0.290 1
1 470 . 3 1 1 A 48 48 ILE N N 48 124.032 125.475 -1.443 1
1 471 . 3 1 1 A 49 49 SER H H 49 7.963 8.294 -0.331 1
1 472 . 3 1 1 A 49 49 SER HA H 49 4.681 4.854 -0.173 1
1 475 . 3 1 1 A 49 49 SER CA C 49 56.256 57.346 -1.090 1
1 476 . 3 1 1 A 49 49 SER CB C 49 65.243 65.921 -0.678 1
1 477 . 3 1 1 A 49 49 SER N N 49 121.077 119.283 1.794 1
1 478 . 3 1 1 A 50 50 ALA H H 50 8.516 8.423 0.093 1
1 479 . 3 1 1 A 50 50 ALA HA H 50 4.302 4.342 -0.040 1
1 483 . 3 1 1 A 50 50 ALA CA C 50 53.052 52.983 0.069 1
1 484 . 3 1 1 A 50 50 ALA CB C 50 18.821 18.181 0.640 1
1 485 . 3 1 1 A 50 50 ALA N N 50 123.977 128.196 -4.219 1
1 486 . 3 1 1 A 51 51 SER H H 51 9.564 8.839 0.725 1
1 487 . 3 1 1 A 51 51 SER HA H 51 4.797 4.861 -0.064 1
1 490 . 3 1 1 A 51 51 SER CA C 51 56.946 56.249 0.697 1
1 491 . 3 1 1 A 51 51 SER CB C 51 65.759 65.566 0.193 1
1 492 . 3 1 1 A 51 51 SER N N 51 117.545 118.150 -0.605 1
1 494 . 3 1 1 A 52 52 ASN CA C 52 55.930 54.000 1.930 1
1 495 . 3 1 1 A 52 52 ASN CB C 52 37.045 38.419 -1.374 1
1 496 . 3 1 1 A 53 53 LYS H H 53 8.053 8.860 -0.807 1
1 497 . 3 1 1 A 53 53 LYS HA H 53 3.995 3.953 0.042 1
1 506 . 3 1 1 A 53 53 LYS CA C 53 53.699 57.783 -4.084 1
1 507 . 3 1 1 A 53 53 LYS CB C 53 33.687 32.025 1.662 1
1 511 . 3 1 1 A 53 53 LYS N N 53 121.638 123.256 -1.618 1
1 512 . 3 1 1 A 54 54 TYR H H 54 6.779 7.871 -1.092 1
1 513 . 3 1 1 A 54 54 TYR HA H 54 5.484 5.268 0.216 1
1 520 . 3 1 1 A 54 54 TYR CA C 54 55.016 56.532 -1.516 1
1 521 . 3 1 1 A 54 54 TYR CB C 54 40.147 43.556 -3.409 1
1 526 . 3 1 1 A 54 54 TYR N N 54 114.754 118.489 -3.735 1
1 527 . 3 1 1 A 55 55 GLY H H 55 9.666 8.645 1.021 1
1 528 . 3 1 1 A 55 55 GLY HA2 H 55 4.653 4.214 0.439 1
1 529 . 3 1 1 A 55 55 GLY HA3 H 55 3.343 4.227 -0.884 1
1 530 . 3 1 1 A 55 55 GLY CA C 55 44.332 45.551 -1.219 1
1 531 . 3 1 1 A 55 55 GLY N N 55 110.691 108.396 2.295 1
1 532 . 3 1 1 A 56 56 LEU H H 56 8.542 8.879 -0.337 1
1 533 . 3 1 1 A 56 56 LEU HA H 56 5.138 5.070 0.068 1
1 543 . 3 1 1 A 56 56 LEU CA C 56 54.213 54.281 -0.068 1
1 544 . 3 1 1 A 56 56 LEU CB C 56 45.206 45.319 -0.113 1
1 548 . 3 1 1 A 56 56 LEU N N 56 125.972 125.204 0.768 1
1 549 . 3 1 1 A 57 57 ALA H H 57 8.594 9.196 -0.602 1
1 550 . 3 1 1 A 57 57 ALA HA H 57 4.790 4.904 -0.114 1
1 554 . 3 1 1 A 57 57 ALA CA C 57 51.318 50.191 1.127 1
1 555 . 3 1 1 A 57 57 ALA CB C 57 22.564 20.116 2.448 1
1 556 . 3 1 1 A 57 57 ALA N N 57 124.534 127.656 -3.122 1
1 557 . 3 1 1 A 58 58 THR H H 58 8.602 8.938 -0.336 1
1 558 . 3 1 1 A 58 58 THR HA H 58 4.862 4.724 0.138 1
1 563 . 3 1 1 A 58 58 THR CA C 58 62.034 60.106 1.928 1
1 564 . 3 1 1 A 58 58 THR CB C 58 72.197 71.086 1.111 1
1 566 . 3 1 1 A 58 58 THR N N 58 119.396 119.187 0.209 1
1 567 . 3 1 1 A 59 59 GLU H H 59 8.883 8.642 0.241 1
1 568 . 3 1 1 A 59 59 GLU HA H 59 4.378 4.884 -0.506 1
1 573 . 3 1 1 A 59 59 GLU CA C 59 54.955 55.115 -0.160 1
1 574 . 3 1 1 A 59 59 GLU CB C 59 31.121 31.551 -0.430 1
1 576 . 3 1 1 A 59 59 GLU N N 59 128.594 125.472 3.122 1
1 577 . 3 1 1 A 60 60 GLY H H 60 9.045 8.933 0.112 1
1 578 . 3 1 1 A 60 60 GLY HA2 H 60 4.081 3.864 0.217 1
1 579 . 3 1 1 A 60 60 GLY HA3 H 60 3.529 3.868 -0.339 1
1 580 . 3 1 1 A 60 60 GLY CA C 60 47.127 47.236 -0.109 1
1 581 . 3 1 1 A 60 60 GLY N N 60 117.047 113.585 3.462 1
1 582 . 3 1 1 A 61 61 THR H H 61 8.332 8.552 -0.220 1
1 583 . 3 1 1 A 61 61 THR HA H 61 4.129 4.596 -0.467 1
1 588 . 3 1 1 A 61 61 THR CA C 61 61.659 61.450 0.209 1
1 589 . 3 1 1 A 61 61 THR CB C 61 68.477 69.216 -0.739 1
1 591 . 3 1 1 A 61 61 THR N N 61 118.086 119.119 -1.033 1
1 592 . 3 1 1 A 62 62 ARG H H 62 7.906 7.405 0.501 1
1 593 . 3 1 1 A 62 62 ARG HA H 62 4.754 5.072 -0.318 1
1 600 . 3 1 1 A 62 62 ARG CA C 62 56.040 54.849 1.191 1
1 601 . 3 1 1 A 62 62 ARG CB C 62 31.775 32.571 -0.796 1
1 604 . 3 1 1 A 62 62 ARG N N 62 121.911 121.267 0.644 1
1 605 . 3 1 1 A 63 63 HIS H H 63 9.212 9.464 -0.252 1
1 606 . 3 1 1 A 63 63 HIS HA H 63 5.364 5.367 -0.003 1
1 611 . 3 1 1 A 63 63 HIS CA C 63 55.066 54.501 0.565 1
1 612 . 3 1 1 A 63 63 HIS CB C 63 33.860 33.231 0.629 1
1 614 . 3 1 1 A 63 63 HIS N N 63 127.111 121.131 5.980 1
1 615 . 3 1 1 A 64 64 THR H H 64 9.261 8.983 0.278 1
1 616 . 3 1 1 A 64 64 THR HA H 64 5.510 5.251 0.259 1
1 621 . 3 1 1 A 64 64 THR CA C 64 60.691 61.891 -1.200 1
1 622 . 3 1 1 A 64 64 THR CB C 64 71.788 70.346 1.442 1
1 624 . 3 1 1 A 64 64 THR N N 64 117.400 118.593 -1.193 1
1 625 . 3 1 1 A 65 65 LEU H H 65 8.456 9.112 -0.656 1
1 626 . 3 1 1 A 65 65 LEU HA H 65 4.642 5.128 -0.486 1
1 636 . 3 1 1 A 65 65 LEU CA C 65 52.783 53.021 -0.238 1
1 637 . 3 1 1 A 65 65 LEU CB C 65 41.350 43.758 -2.408 1
1 641 . 3 1 1 A 65 65 LEU N N 65 129.806 130.059 -0.253 1
1 642 . 3 1 1 A 66 66 THR H H 66 9.381 8.933 0.448 1
1 643 . 3 1 1 A 66 66 THR HA H 66 4.975 4.865 0.110 1
1 648 . 3 1 1 A 66 66 THR CA C 66 61.072 62.048 -0.976 1
1 649 . 3 1 1 A 66 66 THR CB C 66 70.346 69.313 1.033 1
1 651 . 3 1 1 A 66 66 THR N N 66 123.110 123.893 -0.783 1
1 652 . 3 1 1 A 67 67 VAL H H 67 9.493 9.160 0.333 1
1 653 . 3 1 1 A 67 67 VAL HA H 67 4.317 4.742 -0.425 1
1 661 . 3 1 1 A 67 67 VAL CA C 67 61.300 59.889 1.411 1
1 662 . 3 1 1 A 67 67 VAL CB C 67 31.636 34.657 -3.021 1
1 665 . 3 1 1 A 67 67 VAL N N 67 128.451 127.401 1.050 1
1 666 . 3 1 1 A 68 68 ARG H H 68 8.500 8.808 -0.308 1
1 667 . 3 1 1 A 68 68 ARG HA H 68 3.839 4.332 -0.493 1
1 674 . 3 1 1 A 68 68 ARG CA C 68 57.379 56.467 0.912 1
1 675 . 3 1 1 A 68 68 ARG CB C 68 30.481 30.477 0.004 1
1 678 . 3 1 1 A 68 68 ARG N N 68 124.308 128.829 -4.521 1
1 679 . 3 1 1 A 69 69 GLU H H 69 8.545 7.975 0.570 1
1 680 . 3 1 1 A 69 69 GLU HA H 69 3.147 4.097 -0.950 1
1 685 . 3 1 1 A 69 69 GLU CA C 69 55.733 58.015 -2.282 1
1 686 . 3 1 1 A 69 69 GLU CB C 69 28.793 29.651 -0.858 1
1 688 . 3 1 1 A 69 69 GLU N N 69 118.177 119.585 -1.408 1
1 689 . 3 1 1 A 70 70 VAL H H 70 7.771 7.369 0.402 1
1 690 . 3 1 1 A 70 70 VAL HA H 70 3.810 3.964 -0.154 1
1 698 . 3 1 1 A 70 70 VAL CA C 70 63.848 62.671 1.177 1
1 699 . 3 1 1 A 70 70 VAL CB C 70 31.885 32.329 -0.444 1
1 702 . 3 1 1 A 70 70 VAL N N 70 117.579 119.716 -2.137 1
1 703 . 3 1 1 A 71 71 GLY H H 71 9.389 8.446 0.943 1
1 704 . 3 1 1 A 71 71 GLY HA2 H 71 4.470 4.213 0.257 1
1 705 . 3 1 1 A 71 71 GLY HA3 H 71 3.895 4.214 -0.319 1
1 706 . 3 1 1 A 71 71 GLY CA C 71 43.915 45.112 -1.197 1
1 707 . 3 1 1 A 71 71 GLY N N 71 114.169 114.714 -0.545 1
1 708 . 3 1 1 A 72 72 PRO HA H 72 4.038 4.431 -0.393 1
1 715 . 3 1 1 A 72 72 PRO CA C 72 65.800 64.626 1.174 1
1 716 . 3 1 1 A 72 72 PRO CB C 72 31.553 31.807 -0.254 1
1 719 . 3 1 1 A 73 73 ALA H H 73 8.558 8.340 0.218 1
1 720 . 3 1 1 A 73 73 ALA HA H 73 4.186 4.311 -0.125 1
1 724 . 3 1 1 A 73 73 ALA CA C 73 53.826 53.525 0.301 1
1 725 . 3 1 1 A 73 73 ALA CB C 73 18.152 19.194 -1.042 1
1 726 . 3 1 1 A 73 73 ALA N N 73 118.164 119.766 -1.602 1
1 727 . 3 1 1 A 74 74 ASP H H 74 8.381 7.780 0.601 1
1 728 . 3 1 1 A 74 74 ASP HA H 74 4.586 4.665 -0.079 1
1 731 . 3 1 1 A 74 74 ASP CA C 74 55.178 54.705 0.473 1
1 732 . 3 1 1 A 74 74 ASP CB C 74 42.280 41.277 1.003 1
1 733 . 3 1 1 A 74 74 ASP N N 74 113.856 116.776 -2.920 1
1 734 . 3 1 1 A 75 75 GLN H H 75 7.409 7.837 -0.428 1
1 735 . 3 1 1 A 75 75 GLN HA H 75 4.252 4.625 -0.373 1
1 740 . 3 1 1 A 75 75 GLN CA C 75 56.682 54.932 1.750 1
1 741 . 3 1 1 A 75 75 GLN CB C 75 30.337 27.077 3.260 1
1 743 . 3 1 1 A 75 75 GLN N N 75 119.456 120.336 -0.880 1
1 744 . 3 1 1 A 76 76 GLY H H 76 8.984 8.426 0.558 1
1 745 . 3 1 1 A 76 76 GLY HA2 H 76 4.610 4.049 0.561 1
1 746 . 3 1 1 A 76 76 GLY HA3 H 76 3.863 4.066 -0.203 1
1 747 . 3 1 1 A 76 76 GLY CA C 76 44.149 44.574 -0.425 1
1 748 . 3 1 1 A 76 76 GLY N N 76 112.000 111.951 0.049 1
1 749 . 3 1 1 A 77 77 SER H H 77 8.106 8.715 -0.609 1
1 750 . 3 1 1 A 77 77 SER HA H 77 5.009 5.387 -0.378 1
1 753 . 3 1 1 A 77 77 SER CA C 77 58.199 56.477 1.722 1
1 754 . 3 1 1 A 77 77 SER CB C 77 64.099 65.703 -1.604 1
1 755 . 3 1 1 A 77 77 SER N N 77 114.587 116.335 -1.748 1
1 756 . 3 1 1 A 78 78 TYR H H 78 9.056 8.967 0.089 1
1 757 . 3 1 1 A 78 78 TYR HA H 78 4.530 4.782 -0.252 1
1 764 . 3 1 1 A 78 78 TYR CA C 78 56.450 56.493 -0.043 1
1 765 . 3 1 1 A 78 78 TYR CB C 78 43.805 38.816 4.989 1
1 770 . 3 1 1 A 78 78 TYR N N 78 127.751 123.889 3.862 1
1 771 . 3 1 1 A 79 79 ALA H H 79 8.558 8.651 -0.093 1
1 772 . 3 1 1 A 79 79 ALA HA H 79 5.233 5.349 -0.116 1
1 776 . 3 1 1 A 79 79 ALA CA C 79 50.806 49.842 0.964 1
1 777 . 3 1 1 A 79 79 ALA CB C 79 23.130 22.657 0.473 1
1 778 . 3 1 1 A 79 79 ALA N N 79 118.647 126.088 -7.441 1
1 779 . 3 1 1 A 80 80 VAL H H 80 8.717 8.604 0.113 1
1 780 . 3 1 1 A 80 80 VAL HA H 80 4.905 4.697 0.208 1
1 788 . 3 1 1 A 80 80 VAL CA C 80 58.760 60.157 -1.397 1
1 789 . 3 1 1 A 80 80 VAL CB C 80 35.087 34.675 0.412 1
1 792 . 3 1 1 A 80 80 VAL N N 80 118.846 118.073 0.773 1
1 793 . 3 1 1 A 81 81 ILE H H 81 8.739 9.062 -0.323 1
1 794 . 3 1 1 A 81 81 ILE HA H 81 5.012 5.054 -0.042 1
1 804 . 3 1 1 A 81 81 ILE CA C 81 59.751 59.554 0.197 1
1 805 . 3 1 1 A 81 81 ILE CB C 81 42.030 40.786 1.244 1
1 809 . 3 1 1 A 81 81 ILE N N 81 126.232 129.952 -3.720 1
1 810 . 3 1 1 A 82 82 ALA H H 82 8.388 8.643 -0.255 1
1 811 . 3 1 1 A 82 82 ALA HA H 82 4.449 4.644 -0.195 1
1 815 . 3 1 1 A 82 82 ALA CA C 82 50.839 51.679 -0.840 1
1 816 . 3 1 1 A 82 82 ALA CB C 82 21.160 21.881 -0.721 1
1 817 . 3 1 1 A 82 82 ALA N N 82 128.273 126.783 1.490 1
1 818 . 3 1 1 A 83 83 GLY H H 83 8.841 8.870 -0.029 1
1 819 . 3 1 1 A 83 83 GLY HA2 H 83 3.815 3.857 -0.042 1
1 820 . 3 1 1 A 83 83 GLY HA3 H 83 3.509 3.871 -0.362 1
1 821 . 3 1 1 A 83 83 GLY CA C 83 46.917 47.204 -0.287 1
1 822 . 3 1 1 A 83 83 GLY N N 83 113.065 112.232 0.833 1
1 823 . 3 1 1 A 85 85 SER H H 85 8.423 7.874 0.549 1
1 824 . 3 1 1 A 85 85 SER HA H 85 4.659 5.019 -0.360 1
1 827 . 3 1 1 A 85 85 SER CA C 85 58.485 56.945 1.540 1
1 828 . 3 1 1 A 85 85 SER CB C 85 64.397 65.619 -1.222 1
1 829 . 3 1 1 A 85 85 SER N N 85 119.428 115.552 3.876 1
1 830 . 3 1 1 A 86 86 LYS H H 86 8.490 8.818 -0.328 1
1 831 . 3 1 1 A 86 86 LYS HA H 86 5.243 5.168 0.075 1
1 840 . 3 1 1 A 86 86 LYS CA C 86 54.822 54.715 0.107 1
1 841 . 3 1 1 A 86 86 LYS CB C 86 35.340 35.725 -0.385 1
1 845 . 3 1 1 A 86 86 LYS N N 86 125.678 125.489 0.189 1
1 846 . 3 1 1 A 87 87 VAL H H 87 8.863 8.383 0.480 1
1 847 . 3 1 1 A 87 87 VAL HA H 87 4.300 4.773 -0.473 1
1 855 . 3 1 1 A 87 87 VAL CA C 87 60.870 59.188 1.682 1
1 856 . 3 1 1 A 87 87 VAL CB C 87 34.228 35.261 -1.033 1
1 859 . 3 1 1 A 87 87 VAL N N 87 126.631 119.688 6.943 1
1 860 . 3 1 1 A 88 88 LYS H H 88 8.475 8.886 -0.411 1
1 861 . 3 1 1 A 88 88 LYS HA H 88 5.065 4.962 0.103 1
1 870 . 3 1 1 A 88 88 LYS CA C 88 55.124 54.308 0.816 1
1 871 . 3 1 1 A 88 88 LYS CB C 88 34.479 36.090 -1.611 1
1 874 . 3 1 1 A 88 88 LYS N N 88 125.592 125.146 0.446 1
1 875 . 3 1 1 A 89 89 PHE H H 89 8.152 8.253 -0.101 1
1 876 . 3 1 1 A 89 89 PHE HA H 89 4.601 5.717 -1.116 1
1 884 . 3 1 1 A 89 89 PHE CA C 89 56.311 54.875 1.436 1
1 885 . 3 1 1 A 89 89 PHE CB C 89 39.383 42.288 -2.905 1
1 888 . 3 1 1 A 89 89 PHE N N 89 119.005 117.348 1.657 1
1 889 . 3 1 1 A 90 90 ASP H H 90 9.006 8.944 0.062 1
1 890 . 3 1 1 A 90 90 ASP HA H 90 5.565 5.299 0.266 1
1 893 . 3 1 1 A 90 90 ASP CA C 90 53.532 53.166 0.366 1
1 894 . 3 1 1 A 90 90 ASP CB C 90 45.151 43.206 1.945 1
1 895 . 3 1 1 A 90 90 ASP N N 90 118.742 121.643 -2.901 1
1 896 . 3 1 1 A 91 91 LEU H H 91 8.733 9.108 -0.375 1
1 897 . 3 1 1 A 91 91 LEU HA H 91 5.137 5.238 -0.101 1
1 907 . 3 1 1 A 91 91 LEU CA C 91 54.171 53.638 0.533 1
1 908 . 3 1 1 A 91 91 LEU CB C 91 45.625 44.833 0.792 1
1 911 . 3 1 1 A 91 91 LEU N N 91 121.344 127.566 -6.222 1
1 912 . 3 1 1 A 92 92 LYS H H 92 8.892 8.625 0.267 1
1 913 . 3 1 1 A 92 92 LYS HA H 92 4.733 4.650 0.083 1
1 922 . 3 1 1 A 92 92 LYS CA C 92 54.910 56.245 -1.335 1
1 923 . 3 1 1 A 92 92 LYS CB C 92 35.261 33.663 1.598 1
1 927 . 3 1 1 A 92 92 LYS N N 92 128.486 127.106 1.380 1
1 928 . 3 1 1 A 93 93 VAL H H 93 8.563 8.563 0.000 1
1 929 . 3 1 1 A 93 93 VAL HA H 93 4.818 5.245 -0.427 1
1 937 . 3 1 1 A 93 93 VAL CA C 93 60.568 61.011 -0.443 1
1 938 . 3 1 1 A 93 93 VAL CB C 93 33.024 34.586 -1.562 1
1 941 . 3 1 1 A 93 93 VAL N N 93 124.459 121.422 3.037 1
1 942 . 3 1 1 A 94 94 ILE H H 94 8.395 8.831 -0.436 1
1 943 . 3 1 1 A 94 94 ILE HA H 94 4.162 4.656 -0.494 1
1 953 . 3 1 1 A 94 94 ILE CA C 94 60.238 59.788 0.450 1
1 954 . 3 1 1 A 94 94 ILE CB C 94 39.279 40.112 -0.833 1
1 958 . 3 1 1 A 94 94 ILE N N 94 126.433 126.876 -0.443 1
1 1 . 4 1 1 A 3 3 PRO HA H 3 4.235 4.527 -0.292 1
1 8 . 4 1 1 A 3 3 PRO CA C 3 63.375 62.425 0.950 1
1 9 . 4 1 1 A 3 3 PRO CB C 3 31.835 33.052 -1.217 1
1 11 . 4 1 1 A 4 4 GLY H H 4 8.439 7.942 0.497 1
1 12 . 4 1 1 A 4 4 GLY HA2 H 4 3.854 3.815 0.039 1
1 13 . 4 1 1 A 4 4 GLY HA3 H 4 3.819 3.815 0.004 1
1 14 . 4 1 1 A 4 4 GLY CA C 4 45.043 47.400 -2.357 1
1 15 . 4 1 1 A 4 4 GLY N N 4 108.904 106.492 2.412 1
1 16 . 4 1 1 A 5 5 LYS H H 5 7.974 7.689 0.285 1
1 17 . 4 1 1 A 5 5 LYS HA H 5 4.265 4.854 -0.589 1
1 26 . 4 1 1 A 5 5 LYS CA C 5 55.709 54.646 1.063 1
1 27 . 4 1 1 A 5 5 LYS CB C 5 33.081 35.594 -2.513 1
1 31 . 4 1 1 A 5 5 LYS N N 5 120.616 120.028 0.588 1
1 32 . 4 1 1 A 6 6 LYS H H 6 8.291 8.579 -0.288 1
1 33 . 4 1 1 A 6 6 LYS HA H 6 4.505 4.875 -0.370 1
1 36 . 4 1 1 A 6 6 LYS CA C 6 54.105 53.916 0.189 1
1 37 . 4 1 1 A 6 6 LYS CB C 6 32.381 33.579 -1.198 1
1 38 . 4 1 1 A 6 6 LYS N N 6 124.267 122.505 1.762 1
1 39 . 4 1 1 A 7 7 PRO HA H 7 4.371 4.436 -0.065 1
1 46 . 4 1 1 A 7 7 PRO CA C 7 62.738 62.763 -0.025 1
1 47 . 4 1 1 A 7 7 PRO CB C 7 31.942 31.916 0.026 1
1 50 . 4 1 1 A 8 8 VAL H H 8 8.244 8.304 -0.060 1
1 51 . 4 1 1 A 8 8 VAL HA H 8 4.012 3.992 0.020 1
1 59 . 4 1 1 A 8 8 VAL CA C 8 61.883 62.345 -0.462 1
1 60 . 4 1 1 A 8 8 VAL CB C 8 32.743 30.856 1.887 1
1 63 . 4 1 1 A 8 8 VAL N N 8 120.593 123.407 -2.814 1
1 64 . 4 1 1 A 9 9 SER H H 9 8.296 8.691 -0.395 1
1 65 . 4 1 1 A 9 9 SER HA H 9 4.315 4.914 -0.599 1
1 68 . 4 1 1 A 9 9 SER CA C 9 57.429 56.086 1.343 1
1 69 . 4 1 1 A 9 9 SER CB C 9 63.804 65.777 -1.973 1
1 70 . 4 1 1 A 9 9 SER N N 9 118.557 122.456 -3.899 1
1 71 . 4 1 1 A 10 10 ALA H H 10 8.214 8.433 -0.219 1
1 72 . 4 1 1 A 10 10 ALA HA H 10 4.069 4.663 -0.594 1
1 76 . 4 1 1 A 10 10 ALA CA C 10 53.042 51.337 1.705 1
1 77 . 4 1 1 A 10 10 ALA CB C 10 19.919 20.286 -0.367 1
1 78 . 4 1 1 A 10 10 ALA N N 10 125.277 125.003 0.274 1
1 79 . 4 1 1 A 11 11 PHE H H 11 8.238 7.817 0.421 1
1 80 . 4 1 1 A 11 11 PHE HA H 11 4.816 4.983 -0.167 1
1 88 . 4 1 1 A 11 11 PHE CA C 11 57.727 56.199 1.528 1
1 89 . 4 1 1 A 11 11 PHE CB C 11 39.854 39.651 0.203 1
1 94 . 4 1 1 A 11 11 PHE N N 11 114.771 118.097 -3.326 1
1 95 . 4 1 1 A 12 12 SER H H 12 8.809 8.838 -0.029 1
1 96 . 4 1 1 A 12 12 SER HA H 12 4.395 4.328 0.067 1
1 99 . 4 1 1 A 12 12 SER CA C 12 58.641 61.217 -2.576 1
1 100 . 4 1 1 A 12 12 SER CB C 12 63.274 63.247 0.027 1
1 101 . 4 1 1 A 12 12 SER N N 12 119.399 121.520 -2.121 1
1 102 . 4 1 1 A 13 13 LYS H H 13 7.884 7.811 0.073 1
1 103 . 4 1 1 A 13 13 LYS HA H 13 4.575 4.870 -0.295 1
1 112 . 4 1 1 A 13 13 LYS CA C 13 56.362 55.227 1.135 1
1 113 . 4 1 1 A 13 13 LYS CB C 13 35.664 35.069 0.595 1
1 114 . 4 1 1 A 13 13 LYS N N 13 121.565 119.773 1.792 1
1 115 . 4 1 1 A 14 14 LYS H H 14 8.744 8.616 0.128 1
1 116 . 4 1 1 A 14 14 LYS HA H 14 4.313 4.544 -0.231 1
1 123 . 4 1 1 A 14 14 LYS CA C 14 53.374 54.363 -0.989 1
1 124 . 4 1 1 A 14 14 LYS CB C 14 32.741 33.048 -0.307 1
1 127 . 4 1 1 A 14 14 LYS N N 14 125.096 127.827 -2.731 1
1 128 . 4 1 1 A 15 15 PRO HA H 15 4.693 4.856 -0.163 1
1 135 . 4 1 1 A 15 15 PRO CA C 15 62.248 62.210 0.038 1
1 136 . 4 1 1 A 15 15 PRO CB C 15 31.343 29.330 2.013 1
1 139 . 4 1 1 A 16 16 ARG H H 16 8.118 8.013 0.105 1
1 140 . 4 1 1 A 16 16 ARG HA H 16 4.592 4.395 0.197 1
1 147 . 4 1 1 A 16 16 ARG CA C 16 53.951 56.441 -2.490 1
1 148 . 4 1 1 A 16 16 ARG CB C 16 32.456 30.794 1.662 1
1 151 . 4 1 1 A 16 16 ARG N N 16 119.622 123.090 -3.468 1
1 152 . 4 1 1 A 17 17 SER H H 17 8.511 8.541 -0.030 1
1 153 . 4 1 1 A 17 17 SER HA H 17 5.281 4.876 0.405 1
1 156 . 4 1 1 A 17 17 SER CA C 17 59.888 58.028 1.860 1
1 157 . 4 1 1 A 17 17 SER CB C 17 63.405 64.767 -1.362 1
1 158 . 4 1 1 A 17 17 SER N N 17 117.935 116.370 1.565 1
1 159 . 4 1 1 A 18 18 VAL H H 18 8.389 8.936 -0.547 1
1 160 . 4 1 1 A 18 18 VAL HA H 18 4.660 4.898 -0.238 1
1 168 . 4 1 1 A 18 18 VAL CA C 18 60.004 59.245 0.759 1
1 169 . 4 1 1 A 18 18 VAL CB C 18 36.675 35.964 0.711 1
1 172 . 4 1 1 A 18 18 VAL N N 18 117.416 117.137 0.279 1
1 173 . 4 1 1 A 19 19 GLU H H 19 8.190 8.690 -0.500 1
1 174 . 4 1 1 A 19 19 GLU HA H 19 5.351 5.463 -0.112 1
1 179 . 4 1 1 A 19 19 GLU CA C 19 54.138 55.117 -0.979 1
1 180 . 4 1 1 A 19 19 GLU CB C 19 31.658 31.881 -0.223 1
1 181 . 4 1 1 A 19 19 GLU N N 19 124.652 122.498 2.154 1
1 182 . 4 1 1 A 20 20 VAL H H 20 8.616 8.673 -0.057 1
1 183 . 4 1 1 A 20 20 VAL HA H 20 4.491 4.723 -0.232 1
1 191 . 4 1 1 A 20 20 VAL CA C 20 59.013 59.402 -0.389 1
1 192 . 4 1 1 A 20 20 VAL CB C 20 36.048 35.449 0.599 1
1 195 . 4 1 1 A 20 20 VAL N N 20 120.245 118.854 1.391 1
1 196 . 4 1 1 A 21 21 ALA H H 21 8.375 8.635 -0.260 1
1 197 . 4 1 1 A 21 21 ALA HA H 21 4.364 4.551 -0.187 1
1 201 . 4 1 1 A 21 21 ALA CA C 21 51.307 52.121 -0.814 1
1 202 . 4 1 1 A 21 21 ALA CB C 21 18.726 18.859 -0.133 1
1 203 . 4 1 1 A 21 21 ALA N N 21 126.173 126.775 -0.602 1
1 204 . 4 1 1 A 22 22 ALA H H 22 8.287 8.392 -0.105 1
1 205 . 4 1 1 A 22 22 ALA HA H 22 3.899 3.995 -0.096 1
1 209 . 4 1 1 A 22 22 ALA CA C 22 53.104 53.981 -0.877 1
1 210 . 4 1 1 A 22 22 ALA CB C 22 17.631 18.477 -0.846 1
1 211 . 4 1 1 A 22 22 ALA N N 22 123.045 123.305 -0.260 1
1 212 . 4 1 1 A 23 23 GLY H H 23 9.862 8.860 1.002 1
1 213 . 4 1 1 A 23 23 GLY HA2 H 23 3.255 3.990 -0.735 1
1 214 . 4 1 1 A 23 23 GLY HA3 H 23 4.371 3.992 0.379 1
1 215 . 4 1 1 A 23 23 GLY CA C 23 44.741 44.991 -0.250 1
1 216 . 4 1 1 A 23 23 GLY N N 23 112.047 111.304 0.743 1
1 217 . 4 1 1 A 24 24 SER H H 24 7.944 7.849 0.095 1
1 218 . 4 1 1 A 24 24 SER HA H 24 4.750 4.555 0.195 1
1 221 . 4 1 1 A 24 24 SER CA C 24 57.787 56.221 1.566 1
1 222 . 4 1 1 A 24 24 SER CB C 24 63.296 63.820 -0.524 1
1 223 . 4 1 1 A 24 24 SER N N 24 119.405 117.976 1.429 1
1 224 . 4 1 1 A 25 25 PRO HA H 25 5.142 4.694 0.448 1
1 231 . 4 1 1 A 25 25 PRO CA C 25 61.743 62.610 -0.867 1
1 232 . 4 1 1 A 25 25 PRO CB C 25 31.751 31.838 -0.087 1
1 235 . 4 1 1 A 26 26 ALA H H 26 8.688 8.430 0.258 1
1 236 . 4 1 1 A 26 26 ALA HA H 26 4.396 4.814 -0.418 1
1 240 . 4 1 1 A 26 26 ALA CA C 26 49.972 50.367 -0.395 1
1 241 . 4 1 1 A 26 26 ALA CB C 26 22.877 21.443 1.434 1
1 242 . 4 1 1 A 26 26 ALA N N 26 123.024 126.025 -3.001 1
1 243 . 4 1 1 A 27 27 VAL H H 27 7.751 8.424 -0.673 1
1 244 . 4 1 1 A 27 27 VAL HA H 27 4.522 5.047 -0.525 1
1 252 . 4 1 1 A 27 27 VAL CA C 27 60.899 60.906 -0.007 1
1 253 . 4 1 1 A 27 27 VAL CB C 27 33.331 34.486 -1.155 1
1 255 . 4 1 1 A 27 27 VAL N N 27 121.938 122.700 -0.762 1
1 256 . 4 1 1 A 28 28 PHE H H 28 9.196 9.111 0.085 1
1 257 . 4 1 1 A 28 28 PHE HA H 28 4.561 5.081 -0.520 1
1 265 . 4 1 1 A 28 28 PHE CA C 28 56.051 56.258 -0.207 1
1 266 . 4 1 1 A 28 28 PHE CB C 28 42.218 42.205 0.013 1
1 271 . 4 1 1 A 28 28 PHE N N 28 126.818 125.633 1.185 1
1 272 . 4 1 1 A 29 29 GLU H H 29 8.583 8.973 -0.390 1
1 273 . 4 1 1 A 29 29 GLU HA H 29 5.405 4.996 0.409 1
1 278 . 4 1 1 A 29 29 GLU CA C 29 54.508 55.733 -1.225 1
1 279 . 4 1 1 A 29 29 GLU CB C 29 33.692 30.853 2.839 1
1 280 . 4 1 1 A 29 29 GLU N N 29 120.733 122.636 -1.903 1
1 281 . 4 1 1 A 30 30 ALA H H 30 9.484 9.509 -0.025 1
1 282 . 4 1 1 A 30 30 ALA HA H 30 4.691 5.374 -0.683 1
1 286 . 4 1 1 A 30 30 ALA CA C 30 49.421 50.743 -1.322 1
1 287 . 4 1 1 A 30 30 ALA CB C 30 23.523 21.827 1.696 1
1 288 . 4 1 1 A 30 30 ALA N N 30 124.341 127.277 -2.936 1
1 289 . 4 1 1 A 31 31 GLU H H 31 9.001 9.476 -0.475 1
1 290 . 4 1 1 A 31 31 GLU HA H 31 6.016 5.129 0.887 1
1 295 . 4 1 1 A 31 31 GLU CA C 31 54.301 55.374 -1.073 1
1 296 . 4 1 1 A 31 31 GLU CB C 31 33.336 31.759 1.577 1
1 298 . 4 1 1 A 31 31 GLU N N 31 120.169 124.394 -4.225 1
1 299 . 4 1 1 A 32 32 THR H H 32 9.330 9.091 0.239 1
1 300 . 4 1 1 A 32 32 THR HA H 32 4.842 4.358 0.484 1
1 305 . 4 1 1 A 32 32 THR CA C 32 59.738 60.008 -0.270 1
1 306 . 4 1 1 A 32 32 THR CB C 32 69.791 71.392 -1.601 1
1 308 . 4 1 1 A 32 32 THR N N 32 115.538 116.541 -1.003 1
1 309 . 4 1 1 A 33 33 GLU H H 33 7.950 8.805 -0.855 1
1 310 . 4 1 1 A 33 33 GLU HA H 33 3.944 4.396 -0.452 1
1 315 . 4 1 1 A 33 33 GLU CA C 33 58.563 57.417 1.146 1
1 316 . 4 1 1 A 33 33 GLU CB C 33 29.836 30.677 -0.841 1
1 318 . 4 1 1 A 33 33 GLU N N 33 119.723 121.817 -2.094 1
1 319 . 4 1 1 A 34 34 ARG H H 34 7.791 7.380 0.411 1
1 320 . 4 1 1 A 34 34 ARG HA H 34 4.490 4.756 -0.266 1
1 327 . 4 1 1 A 34 34 ARG CA C 34 53.485 54.189 -0.704 1
1 328 . 4 1 1 A 34 34 ARG CB C 34 32.411 33.954 -1.543 1
1 331 . 4 1 1 A 34 34 ARG N N 34 113.251 118.425 -5.174 1
1 332 . 4 1 1 A 35 35 ALA H H 35 8.614 8.525 0.089 1
1 333 . 4 1 1 A 35 35 ALA HA H 35 4.050 4.436 -0.386 1
1 337 . 4 1 1 A 35 35 ALA CA C 35 51.762 52.753 -0.991 1
1 338 . 4 1 1 A 35 35 ALA N N 35 125.041 126.254 -1.213 1
1 339 . 4 1 1 A 36 36 GLY H H 36 8.647 8.951 -0.304 1
1 340 . 4 1 1 A 36 36 GLY HA2 H 36 3.634 3.981 -0.347 1
1 341 . 4 1 1 A 36 36 GLY HA3 H 36 3.960 3.994 -0.034 1
1 342 . 4 1 1 A 36 36 GLY CA C 36 45.703 45.043 0.660 1
1 343 . 4 1 1 A 36 36 GLY N N 36 108.031 110.576 -2.545 1
1 344 . 4 1 1 A 37 37 VAL H H 37 7.077 7.803 -0.726 1
1 345 . 4 1 1 A 37 37 VAL HA H 37 3.869 4.118 -0.249 1
1 353 . 4 1 1 A 37 37 VAL CA C 37 61.469 61.667 -0.198 1
1 354 . 4 1 1 A 37 37 VAL CB C 37 32.942 31.681 1.261 1
1 357 . 4 1 1 A 37 37 VAL N N 37 119.457 119.532 -0.075 1
1 358 . 4 1 1 A 38 38 LYS H H 38 8.467 8.559 -0.092 1
1 359 . 4 1 1 A 38 38 LYS HA H 38 4.267 4.522 -0.255 1
1 366 . 4 1 1 A 38 38 LYS CA C 38 55.873 56.604 -0.731 1
1 367 . 4 1 1 A 38 38 LYS CB C 38 30.881 33.235 -2.354 1
1 370 . 4 1 1 A 38 38 LYS N N 38 128.214 126.038 2.176 1
1 371 . 4 1 1 A 39 39 VAL H H 39 7.993 8.684 -0.691 1
1 372 . 4 1 1 A 39 39 VAL HA H 39 4.537 4.449 0.088 1
1 380 . 4 1 1 A 39 39 VAL CA C 39 60.114 61.454 -1.340 1
1 381 . 4 1 1 A 39 39 VAL CB C 39 33.719 32.136 1.583 1
1 384 . 4 1 1 A 39 39 VAL N N 39 123.133 126.250 -3.117 1
1 385 . 4 1 1 A 40 40 ARG H H 40 8.507 8.887 -0.380 1
1 386 . 4 1 1 A 40 40 ARG HA H 40 4.503 4.813 -0.310 1
1 393 . 4 1 1 A 40 40 ARG CA C 40 54.098 55.381 -1.283 1
1 394 . 4 1 1 A 40 40 ARG CB C 40 33.701 31.494 2.207 1
1 397 . 4 1 1 A 40 40 ARG N N 40 124.492 128.430 -3.938 1
1 398 . 4 1 1 A 41 41 TRP H H 41 9.083 8.939 0.144 1
1 399 . 4 1 1 A 41 41 TRP HA H 41 5.311 5.413 -0.102 1
1 408 . 4 1 1 A 41 41 TRP CA C 41 55.134 55.633 -0.499 1
1 409 . 4 1 1 A 41 41 TRP CB C 41 31.370 33.037 -1.667 1
1 413 . 4 1 1 A 41 41 TRP N N 41 123.367 125.609 -2.242 1
1 415 . 4 1 1 A 42 42 GLN H H 42 9.532 9.058 0.474 1
1 416 . 4 1 1 A 42 42 GLN HA H 42 5.159 4.617 0.542 1
1 423 . 4 1 1 A 42 42 GLN CA C 42 54.445 54.567 -0.122 1
1 424 . 4 1 1 A 42 42 GLN CB C 42 34.775 33.000 1.775 1
1 426 . 4 1 1 A 42 42 GLN N N 42 118.692 122.114 -3.422 1
1 427 . 4 1 1 A 43 43 ARG H H 43 8.209 8.528 -0.319 1
1 428 . 4 1 1 A 43 43 ARG HA H 43 4.039 4.095 -0.056 1
1 435 . 4 1 1 A 43 43 ARG CA C 43 54.790 53.795 0.995 1
1 436 . 4 1 1 A 43 43 ARG CB C 43 32.202 32.265 -0.063 1
1 439 . 4 1 1 A 43 43 ARG N N 43 119.579 124.229 -4.650 1
1 440 . 4 1 1 A 46 46 SER H H 46 7.513 7.999 -0.486 1
1 441 . 4 1 1 A 46 46 SER HA H 46 4.674 4.919 -0.245 1
1 444 . 4 1 1 A 46 46 SER CA C 46 56.766 57.331 -0.565 1
1 445 . 4 1 1 A 46 46 SER CB C 46 64.815 66.979 -2.164 1
1 446 . 4 1 1 A 46 46 SER N N 46 114.927 115.374 -0.447 1
1 447 . 4 1 1 A 47 47 ASP H H 47 8.698 8.347 0.351 1
1 448 . 4 1 1 A 47 47 ASP HA H 47 4.830 4.718 0.112 1
1 451 . 4 1 1 A 47 47 ASP CA C 47 55.177 53.902 1.275 1
1 452 . 4 1 1 A 47 47 ASP CB C 47 40.385 41.356 -0.971 1
1 453 . 4 1 1 A 47 47 ASP N N 47 125.553 121.251 4.302 1
1 454 . 4 1 1 A 48 48 ILE H H 48 8.781 8.438 0.343 1
1 455 . 4 1 1 A 48 48 ILE HA H 48 3.879 4.532 -0.653 1
1 465 . 4 1 1 A 48 48 ILE CA C 48 61.218 59.691 1.527 1
1 466 . 4 1 1 A 48 48 ILE CB C 48 39.345 39.975 -0.630 1
1 470 . 4 1 1 A 48 48 ILE N N 48 124.032 122.382 1.650 1
1 471 . 4 1 1 A 49 49 SER H H 49 7.963 8.438 -0.475 1
1 472 . 4 1 1 A 49 49 SER HA H 49 4.681 4.757 -0.076 1
1 475 . 4 1 1 A 49 49 SER CA C 49 56.256 56.640 -0.384 1
1 476 . 4 1 1 A 49 49 SER CB C 49 65.243 65.518 -0.275 1
1 477 . 4 1 1 A 49 49 SER N N 49 121.077 118.879 2.198 1
1 478 . 4 1 1 A 50 50 ALA H H 50 8.516 8.382 0.134 1
1 479 . 4 1 1 A 50 50 ALA HA H 50 4.302 4.471 -0.169 1
1 483 . 4 1 1 A 50 50 ALA CA C 50 53.052 52.297 0.755 1
1 484 . 4 1 1 A 50 50 ALA CB C 50 18.821 18.371 0.450 1
1 485 . 4 1 1 A 50 50 ALA N N 50 123.977 126.609 -2.632 1
1 486 . 4 1 1 A 51 51 SER H H 51 9.564 8.202 1.362 1
1 487 . 4 1 1 A 51 51 SER HA H 51 4.797 4.861 -0.064 1
1 490 . 4 1 1 A 51 51 SER CA C 51 56.946 57.310 -0.364 1
1 491 . 4 1 1 A 51 51 SER CB C 51 65.759 65.844 -0.085 1
1 492 . 4 1 1 A 51 51 SER N N 51 117.545 117.383 0.162 1
1 494 . 4 1 1 A 52 52 ASN CA C 52 55.930 54.489 1.441 1
1 495 . 4 1 1 A 52 52 ASN CB C 52 37.045 38.397 -1.352 1
1 496 . 4 1 1 A 53 53 LYS H H 53 8.053 8.865 -0.812 1
1 497 . 4 1 1 A 53 53 LYS HA H 53 3.995 3.942 0.053 1
1 506 . 4 1 1 A 53 53 LYS CA C 53 53.699 57.767 -4.068 1
1 507 . 4 1 1 A 53 53 LYS CB C 53 33.687 31.967 1.720 1
1 511 . 4 1 1 A 53 53 LYS N N 53 121.638 124.819 -3.181 1
1 512 . 4 1 1 A 54 54 TYR H H 54 6.779 7.864 -1.085 1
1 513 . 4 1 1 A 54 54 TYR HA H 54 5.484 5.282 0.202 1
1 520 . 4 1 1 A 54 54 TYR CA C 54 55.016 56.443 -1.427 1
1 521 . 4 1 1 A 54 54 TYR CB C 54 40.147 43.516 -3.369 1
1 526 . 4 1 1 A 54 54 TYR N N 54 114.754 118.484 -3.730 1
1 527 . 4 1 1 A 55 55 GLY H H 55 9.666 8.650 1.016 1
1 528 . 4 1 1 A 55 55 GLY HA2 H 55 4.653 4.251 0.402 1
1 529 . 4 1 1 A 55 55 GLY HA3 H 55 3.343 4.263 -0.920 1
1 530 . 4 1 1 A 55 55 GLY CA C 55 44.332 45.508 -1.176 1
1 531 . 4 1 1 A 55 55 GLY N N 55 110.691 108.647 2.044 1
1 532 . 4 1 1 A 56 56 LEU H H 56 8.542 8.884 -0.342 1
1 533 . 4 1 1 A 56 56 LEU HA H 56 5.138 4.994 0.144 1
1 543 . 4 1 1 A 56 56 LEU CA C 56 54.213 53.909 0.304 1
1 544 . 4 1 1 A 56 56 LEU CB C 56 45.206 46.084 -0.878 1
1 548 . 4 1 1 A 56 56 LEU N N 56 125.972 124.863 1.109 1
1 549 . 4 1 1 A 57 57 ALA H H 57 8.594 9.094 -0.500 1
1 550 . 4 1 1 A 57 57 ALA HA H 57 4.790 5.046 -0.256 1
1 554 . 4 1 1 A 57 57 ALA CA C 57 51.318 50.666 0.652 1
1 555 . 4 1 1 A 57 57 ALA CB C 57 22.564 21.314 1.250 1
1 556 . 4 1 1 A 57 57 ALA N N 57 124.534 125.845 -1.311 1
1 557 . 4 1 1 A 58 58 THR H H 58 8.602 9.015 -0.413 1
1 558 . 4 1 1 A 58 58 THR HA H 58 4.862 4.684 0.178 1
1 563 . 4 1 1 A 58 58 THR CA C 58 62.034 59.720 2.314 1
1 564 . 4 1 1 A 58 58 THR CB C 58 72.197 71.264 0.933 1
1 566 . 4 1 1 A 58 58 THR N N 58 119.396 119.399 -0.003 1
1 567 . 4 1 1 A 59 59 GLU H H 59 8.883 8.641 0.242 1
1 568 . 4 1 1 A 59 59 GLU HA H 59 4.378 4.550 -0.172 1
1 573 . 4 1 1 A 59 59 GLU CA C 59 54.955 55.155 -0.200 1
1 574 . 4 1 1 A 59 59 GLU CB C 59 31.121 31.466 -0.345 1
1 576 . 4 1 1 A 59 59 GLU N N 59 128.594 127.231 1.363 1
1 577 . 4 1 1 A 60 60 GLY H H 60 9.045 8.941 0.104 1
1 578 . 4 1 1 A 60 60 GLY HA2 H 60 4.081 3.865 0.216 1
1 579 . 4 1 1 A 60 60 GLY HA3 H 60 3.529 3.866 -0.337 1
1 580 . 4 1 1 A 60 60 GLY CA C 60 47.127 47.225 -0.098 1
1 581 . 4 1 1 A 60 60 GLY N N 60 117.047 116.338 0.709 1
1 582 . 4 1 1 A 61 61 THR H H 61 8.332 8.475 -0.143 1
1 583 . 4 1 1 A 61 61 THR HA H 61 4.129 4.539 -0.410 1
1 588 . 4 1 1 A 61 61 THR CA C 61 61.659 61.289 0.370 1
1 589 . 4 1 1 A 61 61 THR CB C 61 68.477 69.087 -0.610 1
1 591 . 4 1 1 A 61 61 THR N N 61 118.086 119.269 -1.183 1
1 592 . 4 1 1 A 62 62 ARG H H 62 7.906 7.469 0.437 1
1 593 . 4 1 1 A 62 62 ARG HA H 62 4.754 5.119 -0.365 1
1 600 . 4 1 1 A 62 62 ARG CA C 62 56.040 54.647 1.393 1
1 601 . 4 1 1 A 62 62 ARG CB C 62 31.775 33.422 -1.647 1
1 604 . 4 1 1 A 62 62 ARG N N 62 121.911 120.364 1.547 1
1 605 . 4 1 1 A 63 63 HIS H H 63 9.212 9.475 -0.263 1
1 606 . 4 1 1 A 63 63 HIS HA H 63 5.364 5.543 -0.179 1
1 611 . 4 1 1 A 63 63 HIS CA C 63 55.066 54.141 0.925 1
1 612 . 4 1 1 A 63 63 HIS CB C 63 33.860 33.723 0.137 1
1 614 . 4 1 1 A 63 63 HIS N N 63 127.111 120.448 6.663 1
1 615 . 4 1 1 A 64 64 THR H H 64 9.261 9.158 0.103 1
1 616 . 4 1 1 A 64 64 THR HA H 64 5.510 5.237 0.273 1
1 621 . 4 1 1 A 64 64 THR CA C 64 60.691 61.784 -1.093 1
1 622 . 4 1 1 A 64 64 THR CB C 64 71.788 70.704 1.084 1
1 624 . 4 1 1 A 64 64 THR N N 64 117.400 116.948 0.452 1
1 625 . 4 1 1 A 65 65 LEU H H 65 8.456 8.774 -0.318 1
1 626 . 4 1 1 A 65 65 LEU HA H 65 4.642 4.874 -0.232 1
1 636 . 4 1 1 A 65 65 LEU CA C 65 52.783 53.246 -0.463 1
1 637 . 4 1 1 A 65 65 LEU CB C 65 41.350 43.141 -1.791 1
1 641 . 4 1 1 A 65 65 LEU N N 65 129.806 129.878 -0.072 1
1 642 . 4 1 1 A 66 66 THR H H 66 9.381 8.921 0.460 1
1 643 . 4 1 1 A 66 66 THR HA H 66 4.975 5.025 -0.050 1
1 648 . 4 1 1 A 66 66 THR CA C 66 61.072 61.976 -0.904 1
1 649 . 4 1 1 A 66 66 THR CB C 66 70.346 69.626 0.720 1
1 651 . 4 1 1 A 66 66 THR N N 66 123.110 124.215 -1.105 1
1 652 . 4 1 1 A 67 67 VAL H H 67 9.493 9.020 0.473 1
1 653 . 4 1 1 A 67 67 VAL HA H 67 4.317 4.882 -0.565 1
1 661 . 4 1 1 A 67 67 VAL CA C 67 61.300 59.966 1.334 1
1 662 . 4 1 1 A 67 67 VAL CB C 67 31.636 34.764 -3.128 1
1 665 . 4 1 1 A 67 67 VAL N N 67 128.451 125.997 2.454 1
1 666 . 4 1 1 A 68 68 ARG H H 68 8.500 8.828 -0.328 1
1 667 . 4 1 1 A 68 68 ARG HA H 68 3.839 4.354 -0.515 1
1 674 . 4 1 1 A 68 68 ARG CA C 68 57.379 56.637 0.742 1
1 675 . 4 1 1 A 68 68 ARG CB C 68 30.481 30.470 0.011 1
1 678 . 4 1 1 A 68 68 ARG N N 68 124.308 128.764 -4.456 1
1 679 . 4 1 1 A 69 69 GLU H H 69 8.545 8.077 0.468 1
1 680 . 4 1 1 A 69 69 GLU HA H 69 3.147 4.044 -0.897 1
1 685 . 4 1 1 A 69 69 GLU CA C 69 55.733 58.365 -2.632 1
1 686 . 4 1 1 A 69 69 GLU CB C 69 28.793 29.559 -0.766 1
1 688 . 4 1 1 A 69 69 GLU N N 69 118.177 119.320 -1.143 1
1 689 . 4 1 1 A 70 70 VAL H H 70 7.771 7.325 0.446 1
1 690 . 4 1 1 A 70 70 VAL HA H 70 3.810 4.065 -0.255 1
1 698 . 4 1 1 A 70 70 VAL CA C 70 63.848 62.652 1.196 1
1 699 . 4 1 1 A 70 70 VAL CB C 70 31.885 32.299 -0.414 1
1 702 . 4 1 1 A 70 70 VAL N N 70 117.579 119.450 -1.871 1
1 703 . 4 1 1 A 71 71 GLY H H 71 9.389 8.378 1.011 1
1 704 . 4 1 1 A 71 71 GLY HA2 H 71 4.470 4.227 0.243 1
1 705 . 4 1 1 A 71 71 GLY HA3 H 71 3.895 4.230 -0.335 1
1 706 . 4 1 1 A 71 71 GLY CA C 71 43.915 45.478 -1.563 1
1 707 . 4 1 1 A 71 71 GLY N N 71 114.169 114.252 -0.083 1
1 708 . 4 1 1 A 72 72 PRO HA H 72 4.038 4.433 -0.395 1
1 715 . 4 1 1 A 72 72 PRO CA C 72 65.800 64.698 1.102 1
1 716 . 4 1 1 A 72 72 PRO CB C 72 31.553 31.796 -0.243 1
1 719 . 4 1 1 A 73 73 ALA H H 73 8.558 8.255 0.303 1
1 720 . 4 1 1 A 73 73 ALA HA H 73 4.186 4.313 -0.127 1
1 724 . 4 1 1 A 73 73 ALA CA C 73 53.826 53.478 0.348 1
1 725 . 4 1 1 A 73 73 ALA CB C 73 18.152 19.199 -1.047 1
1 726 . 4 1 1 A 73 73 ALA N N 73 118.164 119.856 -1.692 1
1 727 . 4 1 1 A 74 74 ASP H H 74 8.381 7.894 0.487 1
1 728 . 4 1 1 A 74 74 ASP HA H 74 4.586 4.763 -0.177 1
1 731 . 4 1 1 A 74 74 ASP CA C 74 55.178 54.154 1.024 1
1 732 . 4 1 1 A 74 74 ASP CB C 74 42.280 42.056 0.224 1
1 733 . 4 1 1 A 74 74 ASP N N 74 113.856 116.664 -2.808 1
1 734 . 4 1 1 A 75 75 GLN H H 75 7.409 7.799 -0.390 1
1 735 . 4 1 1 A 75 75 GLN HA H 75 4.252 4.442 -0.190 1
1 740 . 4 1 1 A 75 75 GLN CA C 75 56.682 55.092 1.590 1
1 741 . 4 1 1 A 75 75 GLN CB C 75 30.337 27.348 2.989 1
1 743 . 4 1 1 A 75 75 GLN N N 75 119.456 121.247 -1.791 1
1 744 . 4 1 1 A 76 76 GLY H H 76 8.984 8.491 0.493 1
1 745 . 4 1 1 A 76 76 GLY HA2 H 76 4.610 4.094 0.516 1
1 746 . 4 1 1 A 76 76 GLY HA3 H 76 3.863 4.103 -0.240 1
1 747 . 4 1 1 A 76 76 GLY CA C 76 44.149 45.734 -1.585 1
1 748 . 4 1 1 A 76 76 GLY N N 76 112.000 113.614 -1.614 1
1 749 . 4 1 1 A 77 77 SER H H 77 8.106 8.514 -0.408 1
1 750 . 4 1 1 A 77 77 SER HA H 77 5.009 5.375 -0.366 1
1 753 . 4 1 1 A 77 77 SER CA C 77 58.199 56.558 1.641 1
1 754 . 4 1 1 A 77 77 SER CB C 77 64.099 66.647 -2.548 1
1 755 . 4 1 1 A 77 77 SER N N 77 114.587 115.444 -0.857 1
1 756 . 4 1 1 A 78 78 TYR H H 78 9.056 8.707 0.349 1
1 757 . 4 1 1 A 78 78 TYR HA H 78 4.530 4.847 -0.317 1
1 764 . 4 1 1 A 78 78 TYR CA C 78 56.450 56.018 0.432 1
1 765 . 4 1 1 A 78 78 TYR CB C 78 43.805 41.438 2.367 1
1 770 . 4 1 1 A 78 78 TYR N N 78 127.751 118.744 9.007 1
1 771 . 4 1 1 A 79 79 ALA H H 79 8.558 8.857 -0.299 1
1 772 . 4 1 1 A 79 79 ALA HA H 79 5.233 5.341 -0.108 1
1 776 . 4 1 1 A 79 79 ALA CA C 79 50.806 49.816 0.990 1
1 777 . 4 1 1 A 79 79 ALA CB C 79 23.130 22.676 0.454 1
1 778 . 4 1 1 A 79 79 ALA N N 79 118.647 125.796 -7.149 1
1 779 . 4 1 1 A 80 80 VAL H H 80 8.717 8.787 -0.070 1
1 780 . 4 1 1 A 80 80 VAL HA H 80 4.905 4.591 0.314 1
1 788 . 4 1 1 A 80 80 VAL CA C 80 58.760 60.207 -1.447 1
1 789 . 4 1 1 A 80 80 VAL CB C 80 35.087 34.670 0.417 1
1 792 . 4 1 1 A 80 80 VAL N N 80 118.846 118.213 0.633 1
1 793 . 4 1 1 A 81 81 ILE H H 81 8.739 8.857 -0.118 1
1 794 . 4 1 1 A 81 81 ILE HA H 81 5.012 4.975 0.037 1
1 804 . 4 1 1 A 81 81 ILE CA C 81 59.751 59.714 0.037 1
1 805 . 4 1 1 A 81 81 ILE CB C 81 42.030 40.876 1.154 1
1 809 . 4 1 1 A 81 81 ILE N N 81 126.232 130.039 -3.807 1
1 810 . 4 1 1 A 82 82 ALA H H 82 8.388 8.575 -0.187 1
1 811 . 4 1 1 A 82 82 ALA HA H 82 4.449 4.657 -0.208 1
1 815 . 4 1 1 A 82 82 ALA CA C 82 50.839 51.754 -0.915 1
1 816 . 4 1 1 A 82 82 ALA CB C 82 21.160 21.723 -0.563 1
1 817 . 4 1 1 A 82 82 ALA N N 82 128.273 126.174 2.099 1
1 818 . 4 1 1 A 83 83 GLY H H 83 8.841 8.810 0.031 1
1 819 . 4 1 1 A 83 83 GLY HA2 H 83 3.815 3.840 -0.025 1
1 820 . 4 1 1 A 83 83 GLY HA3 H 83 3.509 3.854 -0.345 1
1 821 . 4 1 1 A 83 83 GLY CA C 83 46.917 47.243 -0.326 1
1 822 . 4 1 1 A 83 83 GLY N N 83 113.065 111.000 2.065 1
1 823 . 4 1 1 A 85 85 SER H H 85 8.423 7.876 0.547 1
1 824 . 4 1 1 A 85 85 SER HA H 85 4.659 5.001 -0.342 1
1 827 . 4 1 1 A 85 85 SER CA C 85 58.485 56.934 1.551 1
1 828 . 4 1 1 A 85 85 SER CB C 85 64.397 65.605 -1.208 1
1 829 . 4 1 1 A 85 85 SER N N 85 119.428 116.498 2.930 1
1 830 . 4 1 1 A 86 86 LYS H H 86 8.490 8.940 -0.450 1
1 831 . 4 1 1 A 86 86 LYS HA H 86 5.243 5.066 0.177 1
1 840 . 4 1 1 A 86 86 LYS CA C 86 54.822 54.764 0.058 1
1 841 . 4 1 1 A 86 86 LYS CB C 86 35.340 35.166 0.174 1
1 845 . 4 1 1 A 86 86 LYS N N 86 125.678 125.540 0.138 1
1 846 . 4 1 1 A 87 87 VAL H H 87 8.863 8.755 0.108 1
1 847 . 4 1 1 A 87 87 VAL HA H 87 4.300 4.752 -0.452 1
1 855 . 4 1 1 A 87 87 VAL CA C 87 60.870 60.454 0.416 1
1 856 . 4 1 1 A 87 87 VAL CB C 87 34.228 34.510 -0.282 1
1 859 . 4 1 1 A 87 87 VAL N N 87 126.631 125.890 0.741 1
1 860 . 4 1 1 A 88 88 LYS H H 88 8.475 8.961 -0.486 1
1 861 . 4 1 1 A 88 88 LYS HA H 88 5.065 5.171 -0.106 1
1 870 . 4 1 1 A 88 88 LYS CA C 88 55.124 54.598 0.526 1
1 871 . 4 1 1 A 88 88 LYS CB C 88 34.479 35.822 -1.343 1
1 874 . 4 1 1 A 88 88 LYS N N 88 125.592 122.557 3.035 1
1 875 . 4 1 1 A 89 89 PHE H H 89 8.152 8.330 -0.178 1
1 876 . 4 1 1 A 89 89 PHE HA H 89 4.601 5.669 -1.068 1
1 884 . 4 1 1 A 89 89 PHE CA C 89 56.311 54.975 1.336 1
1 885 . 4 1 1 A 89 89 PHE CB C 89 39.383 42.139 -2.756 1
1 888 . 4 1 1 A 89 89 PHE N N 89 119.005 117.428 1.577 1
1 889 . 4 1 1 A 90 90 ASP H H 90 9.006 9.047 -0.041 1
1 890 . 4 1 1 A 90 90 ASP HA H 90 5.565 5.426 0.139 1
1 893 . 4 1 1 A 90 90 ASP CA C 90 53.532 53.570 -0.038 1
1 894 . 4 1 1 A 90 90 ASP CB C 90 45.151 43.058 2.093 1
1 895 . 4 1 1 A 90 90 ASP N N 90 118.742 119.992 -1.250 1
1 896 . 4 1 1 A 91 91 LEU H H 91 8.733 9.064 -0.331 1
1 897 . 4 1 1 A 91 91 LEU HA H 91 5.137 5.195 -0.058 1
1 907 . 4 1 1 A 91 91 LEU CA C 91 54.171 53.701 0.470 1
1 908 . 4 1 1 A 91 91 LEU CB C 91 45.625 45.035 0.590 1
1 911 . 4 1 1 A 91 91 LEU N N 91 121.344 125.901 -4.557 1
1 912 . 4 1 1 A 92 92 LYS H H 92 8.892 8.834 0.058 1
1 913 . 4 1 1 A 92 92 LYS HA H 92 4.733 4.667 0.066 1
1 922 . 4 1 1 A 92 92 LYS CA C 92 54.910 56.162 -1.252 1
1 923 . 4 1 1 A 92 92 LYS CB C 92 35.261 34.204 1.057 1
1 927 . 4 1 1 A 92 92 LYS N N 92 128.486 127.153 1.333 1
1 928 . 4 1 1 A 93 93 VAL H H 93 8.563 8.744 -0.181 1
1 929 . 4 1 1 A 93 93 VAL HA H 93 4.818 5.316 -0.498 1
1 937 . 4 1 1 A 93 93 VAL CA C 93 60.568 59.732 0.836 1
1 938 . 4 1 1 A 93 93 VAL CB C 93 33.024 34.806 -1.782 1
1 941 . 4 1 1 A 93 93 VAL N N 93 124.459 120.550 3.909 1
1 942 . 4 1 1 A 94 94 ILE H H 94 8.395 8.917 -0.522 1
1 943 . 4 1 1 A 94 94 ILE HA H 94 4.162 4.676 -0.514 1
1 953 . 4 1 1 A 94 94 ILE CA C 94 60.238 59.939 0.299 1
1 954 . 4 1 1 A 94 94 ILE CB C 94 39.279 39.194 0.085 1
1 958 . 4 1 1 A 94 94 ILE N N 94 126.433 128.968 -2.535 1
1 1 . 5 1 1 A 3 3 PRO HA H 3 4.235 4.614 -0.379 1
1 8 . 5 1 1 A 3 3 PRO CA C 3 63.375 62.711 0.664 1
1 9 . 5 1 1 A 3 3 PRO CB C 3 31.835 32.598 -0.763 1
1 11 . 5 1 1 A 4 4 GLY H H 4 8.439 8.505 -0.066 1
1 12 . 5 1 1 A 4 4 GLY HA2 H 4 3.854 3.816 0.038 1
1 13 . 5 1 1 A 4 4 GLY HA3 H 4 3.819 3.816 0.003 1
1 14 . 5 1 1 A 4 4 GLY CA C 4 45.043 46.706 -1.663 1
1 15 . 5 1 1 A 4 4 GLY N N 4 108.904 108.236 0.668 1
1 16 . 5 1 1 A 5 5 LYS H H 5 7.974 7.625 0.349 1
1 17 . 5 1 1 A 5 5 LYS HA H 5 4.265 4.327 -0.062 1
1 26 . 5 1 1 A 5 5 LYS CA C 5 55.709 55.812 -0.103 1
1 27 . 5 1 1 A 5 5 LYS CB C 5 33.081 33.149 -0.068 1
1 31 . 5 1 1 A 5 5 LYS N N 5 120.616 120.206 0.410 1
1 32 . 5 1 1 A 6 6 LYS H H 6 8.291 8.351 -0.060 1
1 33 . 5 1 1 A 6 6 LYS HA H 6 4.505 4.335 0.170 1
1 36 . 5 1 1 A 6 6 LYS CA C 6 54.105 55.283 -1.178 1
1 37 . 5 1 1 A 6 6 LYS CB C 6 32.381 32.419 -0.038 1
1 38 . 5 1 1 A 6 6 LYS N N 6 124.267 123.948 0.319 1
1 39 . 5 1 1 A 7 7 PRO HA H 7 4.371 4.484 -0.113 1
1 46 . 5 1 1 A 7 7 PRO CA C 7 62.738 62.898 -0.160 1
1 47 . 5 1 1 A 7 7 PRO CB C 7 31.942 32.153 -0.211 1
1 50 . 5 1 1 A 8 8 VAL H H 8 8.244 8.284 -0.040 1
1 51 . 5 1 1 A 8 8 VAL HA H 8 4.012 3.979 0.033 1
1 59 . 5 1 1 A 8 8 VAL CA C 8 61.883 62.154 -0.271 1
1 60 . 5 1 1 A 8 8 VAL CB C 8 32.743 31.095 1.648 1
1 63 . 5 1 1 A 8 8 VAL N N 8 120.593 123.805 -3.212 1
1 64 . 5 1 1 A 9 9 SER H H 9 8.296 8.643 -0.347 1
1 65 . 5 1 1 A 9 9 SER HA H 9 4.315 4.592 -0.277 1
1 68 . 5 1 1 A 9 9 SER CA C 9 57.429 58.795 -1.366 1
1 69 . 5 1 1 A 9 9 SER CB C 9 63.804 64.130 -0.326 1
1 70 . 5 1 1 A 9 9 SER N N 9 118.557 123.625 -5.068 1
1 71 . 5 1 1 A 10 10 ALA H H 10 8.214 8.622 -0.408 1
1 72 . 5 1 1 A 10 10 ALA HA H 10 4.069 4.662 -0.593 1
1 76 . 5 1 1 A 10 10 ALA CA C 10 53.042 51.242 1.800 1
1 77 . 5 1 1 A 10 10 ALA CB C 10 19.919 19.794 0.125 1
1 78 . 5 1 1 A 10 10 ALA N N 10 125.277 124.093 1.184 1
1 79 . 5 1 1 A 11 11 PHE H H 11 8.238 7.339 0.899 1
1 80 . 5 1 1 A 11 11 PHE HA H 11 4.816 4.934 -0.118 1
1 88 . 5 1 1 A 11 11 PHE CA C 11 57.727 56.205 1.522 1
1 89 . 5 1 1 A 11 11 PHE CB C 11 39.854 38.660 1.194 1
1 94 . 5 1 1 A 11 11 PHE N N 11 114.771 118.090 -3.319 1
1 95 . 5 1 1 A 12 12 SER H H 12 8.809 8.882 -0.073 1
1 96 . 5 1 1 A 12 12 SER HA H 12 4.395 4.272 0.123 1
1 99 . 5 1 1 A 12 12 SER CA C 12 58.641 61.662 -3.021 1
1 100 . 5 1 1 A 12 12 SER CB C 12 63.274 63.139 0.135 1
1 101 . 5 1 1 A 12 12 SER N N 12 119.399 120.954 -1.555 1
1 102 . 5 1 1 A 13 13 LYS H H 13 7.884 7.903 -0.019 1
1 103 . 5 1 1 A 13 13 LYS HA H 13 4.575 4.825 -0.250 1
1 112 . 5 1 1 A 13 13 LYS CA C 13 56.362 55.043 1.319 1
1 113 . 5 1 1 A 13 13 LYS CB C 13 35.664 35.055 0.609 1
1 114 . 5 1 1 A 13 13 LYS N N 13 121.565 119.849 1.716 1
1 115 . 5 1 1 A 14 14 LYS H H 14 8.744 8.619 0.125 1
1 116 . 5 1 1 A 14 14 LYS HA H 14 4.313 4.516 -0.203 1
1 123 . 5 1 1 A 14 14 LYS CA C 14 53.374 54.382 -1.008 1
1 124 . 5 1 1 A 14 14 LYS CB C 14 32.741 33.063 -0.322 1
1 127 . 5 1 1 A 14 14 LYS N N 14 125.096 127.959 -2.863 1
1 128 . 5 1 1 A 15 15 PRO HA H 15 4.693 4.920 -0.227 1
1 135 . 5 1 1 A 15 15 PRO CA C 15 62.248 62.189 0.059 1
1 136 . 5 1 1 A 15 15 PRO CB C 15 31.343 29.267 2.076 1
1 139 . 5 1 1 A 16 16 ARG H H 16 8.118 8.063 0.055 1
1 140 . 5 1 1 A 16 16 ARG HA H 16 4.592 4.311 0.281 1
1 147 . 5 1 1 A 16 16 ARG CA C 16 53.951 56.451 -2.500 1
1 148 . 5 1 1 A 16 16 ARG CB C 16 32.456 30.689 1.767 1
1 151 . 5 1 1 A 16 16 ARG N N 16 119.622 122.956 -3.334 1
1 152 . 5 1 1 A 17 17 SER H H 17 8.511 8.599 -0.088 1
1 153 . 5 1 1 A 17 17 SER HA H 17 5.281 4.667 0.614 1
1 156 . 5 1 1 A 17 17 SER CA C 17 59.888 58.277 1.611 1
1 157 . 5 1 1 A 17 17 SER CB C 17 63.405 64.725 -1.320 1
1 158 . 5 1 1 A 17 17 SER N N 17 117.935 115.971 1.964 1
1 159 . 5 1 1 A 18 18 VAL H H 18 8.389 8.631 -0.242 1
1 160 . 5 1 1 A 18 18 VAL HA H 18 4.660 4.791 -0.131 1
1 168 . 5 1 1 A 18 18 VAL CA C 18 60.004 60.331 -0.327 1
1 169 . 5 1 1 A 18 18 VAL CB C 18 36.675 35.630 1.045 1
1 172 . 5 1 1 A 18 18 VAL N N 18 117.416 122.025 -4.609 1
1 173 . 5 1 1 A 19 19 GLU H H 19 8.190 8.724 -0.534 1
1 174 . 5 1 1 A 19 19 GLU HA H 19 5.351 5.546 -0.195 1
1 179 . 5 1 1 A 19 19 GLU CA C 19 54.138 54.811 -0.673 1
1 180 . 5 1 1 A 19 19 GLU CB C 19 31.658 32.137 -0.479 1
1 181 . 5 1 1 A 19 19 GLU N N 19 124.652 122.717 1.935 1
1 182 . 5 1 1 A 20 20 VAL H H 20 8.616 8.647 -0.031 1
1 183 . 5 1 1 A 20 20 VAL HA H 20 4.491 4.746 -0.255 1
1 191 . 5 1 1 A 20 20 VAL CA C 20 59.013 59.413 -0.400 1
1 192 . 5 1 1 A 20 20 VAL CB C 20 36.048 35.556 0.492 1
1 195 . 5 1 1 A 20 20 VAL N N 20 120.245 119.157 1.088 1
1 196 . 5 1 1 A 21 21 ALA H H 21 8.375 8.685 -0.310 1
1 197 . 5 1 1 A 21 21 ALA HA H 21 4.364 4.606 -0.242 1
1 201 . 5 1 1 A 21 21 ALA CA C 21 51.307 51.875 -0.568 1
1 202 . 5 1 1 A 21 21 ALA CB C 21 18.726 19.104 -0.378 1
1 203 . 5 1 1 A 21 21 ALA N N 21 126.173 125.570 0.603 1
1 204 . 5 1 1 A 22 22 ALA H H 22 8.287 8.115 0.172 1
1 205 . 5 1 1 A 22 22 ALA HA H 22 3.899 3.988 -0.089 1
1 209 . 5 1 1 A 22 22 ALA CA C 22 53.104 53.992 -0.888 1
1 210 . 5 1 1 A 22 22 ALA CB C 22 17.631 18.476 -0.845 1
1 211 . 5 1 1 A 22 22 ALA N N 22 123.045 123.320 -0.275 1
1 212 . 5 1 1 A 23 23 GLY H H 23 9.862 8.862 1.000 1
1 213 . 5 1 1 A 23 23 GLY HA2 H 23 3.255 3.988 -0.733 1
1 214 . 5 1 1 A 23 23 GLY HA3 H 23 4.371 3.990 0.381 1
1 215 . 5 1 1 A 23 23 GLY CA C 23 44.741 45.012 -0.271 1
1 216 . 5 1 1 A 23 23 GLY N N 23 112.047 111.600 0.447 1
1 217 . 5 1 1 A 24 24 SER H H 24 7.944 7.845 0.099 1
1 218 . 5 1 1 A 24 24 SER HA H 24 4.750 4.558 0.192 1
1 221 . 5 1 1 A 24 24 SER CA C 24 57.787 56.154 1.633 1
1 222 . 5 1 1 A 24 24 SER CB C 24 63.296 63.799 -0.503 1
1 223 . 5 1 1 A 24 24 SER N N 24 119.405 117.989 1.416 1
1 224 . 5 1 1 A 25 25 PRO HA H 25 5.142 4.646 0.496 1
1 231 . 5 1 1 A 25 25 PRO CA C 25 61.743 62.715 -0.972 1
1 232 . 5 1 1 A 25 25 PRO CB C 25 31.751 32.228 -0.477 1
1 235 . 5 1 1 A 26 26 ALA H H 26 8.688 8.334 0.354 1
1 236 . 5 1 1 A 26 26 ALA HA H 26 4.396 4.817 -0.421 1
1 240 . 5 1 1 A 26 26 ALA CA C 26 49.972 50.634 -0.662 1
1 241 . 5 1 1 A 26 26 ALA CB C 26 22.877 21.951 0.926 1
1 242 . 5 1 1 A 26 26 ALA N N 26 123.024 124.117 -1.093 1
1 243 . 5 1 1 A 27 27 VAL H H 27 7.751 8.623 -0.872 1
1 244 . 5 1 1 A 27 27 VAL HA H 27 4.522 5.107 -0.585 1
1 252 . 5 1 1 A 27 27 VAL CA C 27 60.899 58.827 2.072 1
1 253 . 5 1 1 A 27 27 VAL CB C 27 33.331 35.035 -1.704 1
1 255 . 5 1 1 A 27 27 VAL N N 27 121.938 122.554 -0.616 1
1 256 . 5 1 1 A 28 28 PHE H H 28 9.196 9.135 0.061 1
1 257 . 5 1 1 A 28 28 PHE HA H 28 4.561 5.067 -0.506 1
1 265 . 5 1 1 A 28 28 PHE CA C 28 56.051 56.070 -0.019 1
1 266 . 5 1 1 A 28 28 PHE CB C 28 42.218 42.238 -0.020 1
1 271 . 5 1 1 A 28 28 PHE N N 28 126.818 125.859 0.959 1
1 272 . 5 1 1 A 29 29 GLU H H 29 8.583 9.160 -0.577 1
1 273 . 5 1 1 A 29 29 GLU HA H 29 5.405 5.045 0.360 1
1 278 . 5 1 1 A 29 29 GLU CA C 29 54.508 55.384 -0.876 1
1 279 . 5 1 1 A 29 29 GLU CB C 29 33.692 31.431 2.261 1
1 280 . 5 1 1 A 29 29 GLU N N 29 120.733 123.948 -3.215 1
1 281 . 5 1 1 A 30 30 ALA H H 30 9.484 9.646 -0.162 1
1 282 . 5 1 1 A 30 30 ALA HA H 30 4.691 5.358 -0.667 1
1 286 . 5 1 1 A 30 30 ALA CA C 30 49.421 50.734 -1.313 1
1 287 . 5 1 1 A 30 30 ALA CB C 30 23.523 21.679 1.844 1
1 288 . 5 1 1 A 30 30 ALA N N 30 124.341 128.263 -3.922 1
1 289 . 5 1 1 A 31 31 GLU H H 31 9.001 9.552 -0.551 1
1 290 . 5 1 1 A 31 31 GLU HA H 31 6.016 5.218 0.798 1
1 295 . 5 1 1 A 31 31 GLU CA C 31 54.301 55.380 -1.079 1
1 296 . 5 1 1 A 31 31 GLU CB C 31 33.336 32.321 1.015 1
1 298 . 5 1 1 A 31 31 GLU N N 31 120.169 124.272 -4.103 1
1 299 . 5 1 1 A 32 32 THR H H 32 9.330 8.816 0.514 1
1 300 . 5 1 1 A 32 32 THR HA H 32 4.842 4.373 0.469 1
1 305 . 5 1 1 A 32 32 THR CA C 32 59.738 59.942 -0.204 1
1 306 . 5 1 1 A 32 32 THR CB C 32 69.791 71.117 -1.326 1
1 308 . 5 1 1 A 32 32 THR N N 32 115.538 116.915 -1.377 1
1 309 . 5 1 1 A 33 33 GLU H H 33 7.950 8.762 -0.812 1
1 310 . 5 1 1 A 33 33 GLU HA H 33 3.944 4.453 -0.509 1
1 315 . 5 1 1 A 33 33 GLU CA C 33 58.563 57.377 1.186 1
1 316 . 5 1 1 A 33 33 GLU CB C 33 29.836 29.924 -0.088 1
1 318 . 5 1 1 A 33 33 GLU N N 33 119.723 121.842 -2.119 1
1 319 . 5 1 1 A 34 34 ARG H H 34 7.791 7.433 0.358 1
1 320 . 5 1 1 A 34 34 ARG HA H 34 4.490 4.907 -0.417 1
1 327 . 5 1 1 A 34 34 ARG CA C 34 53.485 54.220 -0.735 1
1 328 . 5 1 1 A 34 34 ARG CB C 34 32.411 33.816 -1.405 1
1 331 . 5 1 1 A 34 34 ARG N N 34 113.251 119.925 -6.674 1
1 332 . 5 1 1 A 35 35 ALA H H 35 8.614 8.504 0.110 1
1 333 . 5 1 1 A 35 35 ALA HA H 35 4.050 4.443 -0.393 1
1 337 . 5 1 1 A 35 35 ALA CA C 35 51.762 52.691 -0.929 1
1 338 . 5 1 1 A 35 35 ALA N N 35 125.041 127.277 -2.236 1
1 339 . 5 1 1 A 36 36 GLY H H 36 8.647 8.964 -0.317 1
1 340 . 5 1 1 A 36 36 GLY HA2 H 36 3.634 3.999 -0.365 1
1 341 . 5 1 1 A 36 36 GLY HA3 H 36 3.960 4.009 -0.049 1
1 342 . 5 1 1 A 36 36 GLY CA C 36 45.703 45.076 0.627 1
1 343 . 5 1 1 A 36 36 GLY N N 36 108.031 110.315 -2.284 1
1 344 . 5 1 1 A 37 37 VAL H H 37 7.077 7.946 -0.869 1
1 345 . 5 1 1 A 37 37 VAL HA H 37 3.869 4.149 -0.280 1
1 353 . 5 1 1 A 37 37 VAL CA C 37 61.469 62.108 -0.639 1
1 354 . 5 1 1 A 37 37 VAL CB C 37 32.942 32.871 0.071 1
1 357 . 5 1 1 A 37 37 VAL N N 37 119.457 121.750 -2.293 1
1 358 . 5 1 1 A 38 38 LYS H H 38 8.467 8.419 0.048 1
1 359 . 5 1 1 A 38 38 LYS HA H 38 4.267 4.897 -0.630 1
1 366 . 5 1 1 A 38 38 LYS CA C 38 55.873 55.458 0.415 1
1 367 . 5 1 1 A 38 38 LYS CB C 38 30.881 33.638 -2.757 1
1 370 . 5 1 1 A 38 38 LYS N N 38 128.214 123.502 4.712 1
1 371 . 5 1 1 A 39 39 VAL H H 39 7.993 8.545 -0.552 1
1 372 . 5 1 1 A 39 39 VAL HA H 39 4.537 4.431 0.106 1
1 380 . 5 1 1 A 39 39 VAL CA C 39 60.114 61.119 -1.005 1
1 381 . 5 1 1 A 39 39 VAL CB C 39 33.719 34.037 -0.318 1
1 384 . 5 1 1 A 39 39 VAL N N 39 123.133 120.918 2.215 1
1 385 . 5 1 1 A 40 40 ARG H H 40 8.507 8.595 -0.088 1
1 386 . 5 1 1 A 40 40 ARG HA H 40 4.503 4.813 -0.310 1
1 393 . 5 1 1 A 40 40 ARG CA C 40 54.098 55.911 -1.813 1
1 394 . 5 1 1 A 40 40 ARG CB C 40 33.701 30.870 2.831 1
1 397 . 5 1 1 A 40 40 ARG N N 40 124.492 125.853 -1.361 1
1 398 . 5 1 1 A 41 41 TRP H H 41 9.083 8.961 0.122 1
1 399 . 5 1 1 A 41 41 TRP HA H 41 5.311 5.430 -0.119 1
1 408 . 5 1 1 A 41 41 TRP CA C 41 55.134 55.690 -0.556 1
1 409 . 5 1 1 A 41 41 TRP CB C 41 31.370 33.324 -1.954 1
1 413 . 5 1 1 A 41 41 TRP N N 41 123.367 121.527 1.840 1
1 415 . 5 1 1 A 42 42 GLN H H 42 9.532 8.903 0.629 1
1 416 . 5 1 1 A 42 42 GLN HA H 42 5.159 4.687 0.472 1
1 423 . 5 1 1 A 42 42 GLN CA C 42 54.445 55.032 -0.587 1
1 424 . 5 1 1 A 42 42 GLN CB C 42 34.775 33.020 1.755 1
1 426 . 5 1 1 A 42 42 GLN N N 42 118.692 121.400 -2.708 1
1 427 . 5 1 1 A 43 43 ARG H H 43 8.209 8.881 -0.672 1
1 428 . 5 1 1 A 43 43 ARG HA H 43 4.039 4.364 -0.325 1
1 435 . 5 1 1 A 43 43 ARG CA C 43 54.790 53.652 1.138 1
1 436 . 5 1 1 A 43 43 ARG CB C 43 32.202 32.835 -0.633 1
1 439 . 5 1 1 A 43 43 ARG N N 43 119.579 125.481 -5.902 1
1 440 . 5 1 1 A 46 46 SER H H 46 7.513 7.889 -0.376 1
1 441 . 5 1 1 A 46 46 SER HA H 46 4.674 4.933 -0.259 1
1 444 . 5 1 1 A 46 46 SER CA C 46 56.766 57.349 -0.583 1
1 445 . 5 1 1 A 46 46 SER CB C 46 64.815 66.795 -1.980 1
1 446 . 5 1 1 A 46 46 SER N N 46 114.927 115.951 -1.024 1
1 447 . 5 1 1 A 47 47 ASP H H 47 8.698 8.341 0.357 1
1 448 . 5 1 1 A 47 47 ASP HA H 47 4.830 4.678 0.152 1
1 451 . 5 1 1 A 47 47 ASP CA C 47 55.177 53.657 1.520 1
1 452 . 5 1 1 A 47 47 ASP CB C 47 40.385 41.387 -1.002 1
1 453 . 5 1 1 A 47 47 ASP N N 47 125.553 122.126 3.427 1
1 454 . 5 1 1 A 48 48 ILE H H 48 8.781 8.609 0.172 1
1 455 . 5 1 1 A 48 48 ILE HA H 48 3.879 4.713 -0.834 1
1 465 . 5 1 1 A 48 48 ILE CA C 48 61.218 59.633 1.585 1
1 466 . 5 1 1 A 48 48 ILE CB C 48 39.345 40.343 -0.998 1
1 470 . 5 1 1 A 48 48 ILE N N 48 124.032 121.356 2.676 1
1 471 . 5 1 1 A 49 49 SER H H 49 7.963 8.584 -0.621 1
1 472 . 5 1 1 A 49 49 SER HA H 49 4.681 4.782 -0.101 1
1 475 . 5 1 1 A 49 49 SER CA C 49 56.256 56.654 -0.398 1
1 476 . 5 1 1 A 49 49 SER CB C 49 65.243 65.375 -0.132 1
1 477 . 5 1 1 A 49 49 SER N N 49 121.077 118.526 2.551 1
1 478 . 5 1 1 A 50 50 ALA H H 50 8.516 8.416 0.100 1
1 479 . 5 1 1 A 50 50 ALA HA H 50 4.302 4.541 -0.239 1
1 483 . 5 1 1 A 50 50 ALA CA C 50 53.052 52.171 0.881 1
1 484 . 5 1 1 A 50 50 ALA CB C 50 18.821 18.093 0.728 1
1 485 . 5 1 1 A 50 50 ALA N N 50 123.977 126.549 -2.572 1
1 486 . 5 1 1 A 51 51 SER H H 51 9.564 8.259 1.305 1
1 487 . 5 1 1 A 51 51 SER HA H 51 4.797 4.820 -0.023 1
1 490 . 5 1 1 A 51 51 SER CA C 51 56.946 57.381 -0.435 1
1 491 . 5 1 1 A 51 51 SER CB C 51 65.759 66.052 -0.293 1
1 492 . 5 1 1 A 51 51 SER N N 51 117.545 117.383 0.162 1
1 494 . 5 1 1 A 52 52 ASN CA C 52 55.930 54.508 1.422 1
1 495 . 5 1 1 A 52 52 ASN CB C 52 37.045 38.351 -1.306 1
1 496 . 5 1 1 A 53 53 LYS H H 53 8.053 8.842 -0.789 1
1 497 . 5 1 1 A 53 53 LYS HA H 53 3.995 4.005 -0.010 1
1 506 . 5 1 1 A 53 53 LYS CA C 53 53.699 57.747 -4.048 1
1 507 . 5 1 1 A 53 53 LYS CB C 53 33.687 31.982 1.705 1
1 511 . 5 1 1 A 53 53 LYS N N 53 121.638 124.708 -3.070 1
1 512 . 5 1 1 A 54 54 TYR H H 54 6.779 7.851 -1.072 1
1 513 . 5 1 1 A 54 54 TYR HA H 54 5.484 5.261 0.223 1
1 520 . 5 1 1 A 54 54 TYR CA C 54 55.016 56.590 -1.574 1
1 521 . 5 1 1 A 54 54 TYR CB C 54 40.147 43.379 -3.232 1
1 526 . 5 1 1 A 54 54 TYR N N 54 114.754 118.661 -3.907 1
1 527 . 5 1 1 A 55 55 GLY H H 55 9.666 8.191 1.475 1
1 528 . 5 1 1 A 55 55 GLY HA2 H 55 4.653 4.224 0.429 1
1 529 . 5 1 1 A 55 55 GLY HA3 H 55 3.343 4.237 -0.894 1
1 530 . 5 1 1 A 55 55 GLY CA C 55 44.332 45.667 -1.335 1
1 531 . 5 1 1 A 55 55 GLY N N 55 110.691 108.362 2.329 1
1 532 . 5 1 1 A 56 56 LEU H H 56 8.542 8.995 -0.453 1
1 533 . 5 1 1 A 56 56 LEU HA H 56 5.138 4.906 0.232 1
1 543 . 5 1 1 A 56 56 LEU CA C 56 54.213 53.683 0.530 1
1 544 . 5 1 1 A 56 56 LEU CB C 56 45.206 43.599 1.607 1
1 548 . 5 1 1 A 56 56 LEU N N 56 125.972 126.931 -0.959 1
1 549 . 5 1 1 A 57 57 ALA H H 57 8.594 8.868 -0.274 1
1 550 . 5 1 1 A 57 57 ALA HA H 57 4.790 4.945 -0.155 1
1 554 . 5 1 1 A 57 57 ALA CA C 57 51.318 50.879 0.439 1
1 555 . 5 1 1 A 57 57 ALA CB C 57 22.564 20.564 2.000 1
1 556 . 5 1 1 A 57 57 ALA N N 57 124.534 125.544 -1.010 1
1 557 . 5 1 1 A 58 58 THR H H 58 8.602 8.950 -0.348 1
1 558 . 5 1 1 A 58 58 THR HA H 58 4.862 4.531 0.331 1
1 563 . 5 1 1 A 58 58 THR CA C 58 62.034 61.317 0.717 1
1 564 . 5 1 1 A 58 58 THR CB C 58 72.197 69.860 2.337 1
1 566 . 5 1 1 A 58 58 THR N N 58 119.396 119.403 -0.007 1
1 567 . 5 1 1 A 59 59 GLU H H 59 8.883 8.571 0.312 1
1 568 . 5 1 1 A 59 59 GLU HA H 59 4.378 4.538 -0.160 1
1 573 . 5 1 1 A 59 59 GLU CA C 59 54.955 55.137 -0.182 1
1 574 . 5 1 1 A 59 59 GLU CB C 59 31.121 31.071 0.050 1
1 576 . 5 1 1 A 59 59 GLU N N 59 128.594 127.467 1.127 1
1 577 . 5 1 1 A 60 60 GLY H H 60 9.045 8.890 0.155 1
1 578 . 5 1 1 A 60 60 GLY HA2 H 60 4.081 3.861 0.220 1
1 579 . 5 1 1 A 60 60 GLY HA3 H 60 3.529 3.862 -0.333 1
1 580 . 5 1 1 A 60 60 GLY CA C 60 47.127 47.218 -0.091 1
1 581 . 5 1 1 A 60 60 GLY N N 60 117.047 116.395 0.652 1
1 582 . 5 1 1 A 61 61 THR H H 61 8.332 8.585 -0.253 1
1 583 . 5 1 1 A 61 61 THR HA H 61 4.129 4.509 -0.380 1
1 588 . 5 1 1 A 61 61 THR CA C 61 61.659 61.693 -0.034 1
1 589 . 5 1 1 A 61 61 THR CB C 61 68.477 68.950 -0.473 1
1 591 . 5 1 1 A 61 61 THR N N 61 118.086 119.392 -1.306 1
1 592 . 5 1 1 A 62 62 ARG H H 62 7.906 7.056 0.850 1
1 593 . 5 1 1 A 62 62 ARG HA H 62 4.754 5.190 -0.436 1
1 600 . 5 1 1 A 62 62 ARG CA C 62 56.040 54.833 1.207 1
1 601 . 5 1 1 A 62 62 ARG CB C 62 31.775 33.270 -1.495 1
1 604 . 5 1 1 A 62 62 ARG N N 62 121.911 122.749 -0.838 1
1 605 . 5 1 1 A 63 63 HIS H H 63 9.212 9.533 -0.321 1
1 606 . 5 1 1 A 63 63 HIS HA H 63 5.364 5.160 0.204 1
1 611 . 5 1 1 A 63 63 HIS CA C 63 55.066 54.941 0.125 1
1 612 . 5 1 1 A 63 63 HIS CB C 63 33.860 32.169 1.691 1
1 614 . 5 1 1 A 63 63 HIS N N 63 127.111 125.834 1.277 1
1 615 . 5 1 1 A 64 64 THR H H 64 9.261 8.550 0.711 1
1 616 . 5 1 1 A 64 64 THR HA H 64 5.510 5.291 0.219 1
1 621 . 5 1 1 A 64 64 THR CA C 64 60.691 61.979 -1.288 1
1 622 . 5 1 1 A 64 64 THR CB C 64 71.788 70.931 0.857 1
1 624 . 5 1 1 A 64 64 THR N N 64 117.400 116.795 0.605 1
1 625 . 5 1 1 A 65 65 LEU H H 65 8.456 8.949 -0.493 1
1 626 . 5 1 1 A 65 65 LEU HA H 65 4.642 4.783 -0.141 1
1 636 . 5 1 1 A 65 65 LEU CA C 65 52.783 52.916 -0.133 1
1 637 . 5 1 1 A 65 65 LEU CB C 65 41.350 43.593 -2.243 1
1 641 . 5 1 1 A 65 65 LEU N N 65 129.806 129.906 -0.100 1
1 642 . 5 1 1 A 66 66 THR H H 66 9.381 9.274 0.107 1
1 643 . 5 1 1 A 66 66 THR HA H 66 4.975 4.844 0.131 1
1 648 . 5 1 1 A 66 66 THR CA C 66 61.072 61.874 -0.802 1
1 649 . 5 1 1 A 66 66 THR CB C 66 70.346 70.591 -0.245 1
1 651 . 5 1 1 A 66 66 THR N N 66 123.110 124.112 -1.002 1
1 652 . 5 1 1 A 67 67 VAL H H 67 9.493 9.006 0.487 1
1 653 . 5 1 1 A 67 67 VAL HA H 67 4.317 4.545 -0.228 1
1 661 . 5 1 1 A 67 67 VAL CA C 67 61.300 61.597 -0.297 1
1 662 . 5 1 1 A 67 67 VAL CB C 67 31.636 34.476 -2.840 1
1 665 . 5 1 1 A 67 67 VAL N N 67 128.451 126.215 2.236 1
1 666 . 5 1 1 A 68 68 ARG H H 68 8.500 8.654 -0.154 1
1 667 . 5 1 1 A 68 68 ARG HA H 68 3.839 4.330 -0.491 1
1 674 . 5 1 1 A 68 68 ARG CA C 68 57.379 56.837 0.542 1
1 675 . 5 1 1 A 68 68 ARG CB C 68 30.481 30.501 -0.020 1
1 678 . 5 1 1 A 68 68 ARG N N 68 124.308 126.862 -2.554 1
1 679 . 5 1 1 A 69 69 GLU H H 69 8.545 7.944 0.601 1
1 680 . 5 1 1 A 69 69 GLU HA H 69 3.147 4.098 -0.951 1
1 685 . 5 1 1 A 69 69 GLU CA C 69 55.733 57.988 -2.255 1
1 686 . 5 1 1 A 69 69 GLU CB C 69 28.793 29.674 -0.881 1
1 688 . 5 1 1 A 69 69 GLU N N 69 118.177 119.500 -1.323 1
1 689 . 5 1 1 A 70 70 VAL H H 70 7.771 7.288 0.483 1
1 690 . 5 1 1 A 70 70 VAL HA H 70 3.810 4.062 -0.252 1
1 698 . 5 1 1 A 70 70 VAL CA C 70 63.848 62.723 1.125 1
1 699 . 5 1 1 A 70 70 VAL CB C 70 31.885 32.279 -0.394 1
1 702 . 5 1 1 A 70 70 VAL N N 70 117.579 119.384 -1.805 1
1 703 . 5 1 1 A 71 71 GLY H H 71 9.389 8.366 1.023 1
1 704 . 5 1 1 A 71 71 GLY HA2 H 71 4.470 4.225 0.245 1
1 705 . 5 1 1 A 71 71 GLY HA3 H 71 3.895 4.230 -0.335 1
1 706 . 5 1 1 A 71 71 GLY CA C 71 43.915 45.466 -1.551 1
1 707 . 5 1 1 A 71 71 GLY N N 71 114.169 114.276 -0.107 1
1 708 . 5 1 1 A 72 72 PRO HA H 72 4.038 4.432 -0.394 1
1 715 . 5 1 1 A 72 72 PRO CA C 72 65.800 64.612 1.188 1
1 716 . 5 1 1 A 72 72 PRO CB C 72 31.553 31.793 -0.240 1
1 719 . 5 1 1 A 73 73 ALA H H 73 8.558 8.314 0.244 1
1 720 . 5 1 1 A 73 73 ALA HA H 73 4.186 4.294 -0.108 1
1 724 . 5 1 1 A 73 73 ALA CA C 73 53.826 53.477 0.349 1
1 725 . 5 1 1 A 73 73 ALA CB C 73 18.152 19.116 -0.964 1
1 726 . 5 1 1 A 73 73 ALA N N 73 118.164 119.838 -1.674 1
1 727 . 5 1 1 A 74 74 ASP H H 74 8.381 7.767 0.614 1
1 728 . 5 1 1 A 74 74 ASP HA H 74 4.586 4.739 -0.153 1
1 731 . 5 1 1 A 74 74 ASP CA C 74 55.178 54.288 0.890 1
1 732 . 5 1 1 A 74 74 ASP CB C 74 42.280 41.928 0.352 1
1 733 . 5 1 1 A 74 74 ASP N N 74 113.856 116.757 -2.901 1
1 734 . 5 1 1 A 75 75 GLN H H 75 7.409 7.740 -0.331 1
1 735 . 5 1 1 A 75 75 GLN HA H 75 4.252 4.393 -0.141 1
1 740 . 5 1 1 A 75 75 GLN CA C 75 56.682 55.509 1.173 1
1 741 . 5 1 1 A 75 75 GLN CB C 75 30.337 28.157 2.180 1
1 743 . 5 1 1 A 75 75 GLN N N 75 119.456 121.260 -1.804 1
1 744 . 5 1 1 A 76 76 GLY H H 76 8.984 8.208 0.776 1
1 745 . 5 1 1 A 76 76 GLY HA2 H 76 4.610 4.224 0.386 1
1 746 . 5 1 1 A 76 76 GLY HA3 H 76 3.863 4.240 -0.377 1
1 747 . 5 1 1 A 76 76 GLY CA C 76 44.149 45.962 -1.813 1
1 748 . 5 1 1 A 76 76 GLY N N 76 112.000 113.249 -1.249 1
1 749 . 5 1 1 A 77 77 SER H H 77 8.106 8.666 -0.560 1
1 750 . 5 1 1 A 77 77 SER HA H 77 5.009 5.376 -0.367 1
1 753 . 5 1 1 A 77 77 SER CA C 77 58.199 56.473 1.726 1
1 754 . 5 1 1 A 77 77 SER CB C 77 64.099 66.709 -2.610 1
1 755 . 5 1 1 A 77 77 SER N N 77 114.587 116.472 -1.885 1
1 756 . 5 1 1 A 78 78 TYR H H 78 9.056 8.793 0.263 1
1 757 . 5 1 1 A 78 78 TYR HA H 78 4.530 4.929 -0.399 1
1 764 . 5 1 1 A 78 78 TYR CA C 78 56.450 56.006 0.444 1
1 765 . 5 1 1 A 78 78 TYR CB C 78 43.805 41.287 2.518 1
1 770 . 5 1 1 A 78 78 TYR N N 78 127.751 118.737 9.014 1
1 771 . 5 1 1 A 79 79 ALA H H 79 8.558 8.705 -0.147 1
1 772 . 5 1 1 A 79 79 ALA HA H 79 5.233 5.359 -0.126 1
1 776 . 5 1 1 A 79 79 ALA CA C 79 50.806 49.894 0.912 1
1 777 . 5 1 1 A 79 79 ALA CB C 79 23.130 22.534 0.596 1
1 778 . 5 1 1 A 79 79 ALA N N 79 118.647 125.572 -6.925 1
1 779 . 5 1 1 A 80 80 VAL H H 80 8.717 8.714 0.003 1
1 780 . 5 1 1 A 80 80 VAL HA H 80 4.905 4.480 0.425 1
1 788 . 5 1 1 A 80 80 VAL CA C 80 58.760 60.176 -1.416 1
1 789 . 5 1 1 A 80 80 VAL CB C 80 35.087 34.515 0.572 1
1 792 . 5 1 1 A 80 80 VAL N N 80 118.846 118.247 0.599 1
1 793 . 5 1 1 A 81 81 ILE H H 81 8.739 8.815 -0.076 1
1 794 . 5 1 1 A 81 81 ILE HA H 81 5.012 5.160 -0.148 1
1 804 . 5 1 1 A 81 81 ILE CA C 81 59.751 59.656 0.095 1
1 805 . 5 1 1 A 81 81 ILE CB C 81 42.030 40.758 1.272 1
1 809 . 5 1 1 A 81 81 ILE N N 81 126.232 129.585 -3.353 1
1 810 . 5 1 1 A 82 82 ALA H H 82 8.388 8.752 -0.364 1
1 811 . 5 1 1 A 82 82 ALA HA H 82 4.449 4.447 0.002 1
1 815 . 5 1 1 A 82 82 ALA CA C 82 50.839 50.623 0.216 1
1 816 . 5 1 1 A 82 82 ALA CB C 82 21.160 19.719 1.441 1
1 817 . 5 1 1 A 82 82 ALA N N 82 128.273 128.004 0.269 1
1 818 . 5 1 1 A 83 83 GLY H H 83 8.841 8.877 -0.036 1
1 819 . 5 1 1 A 83 83 GLY HA2 H 83 3.815 3.849 -0.034 1
1 820 . 5 1 1 A 83 83 GLY HA3 H 83 3.509 3.858 -0.349 1
1 821 . 5 1 1 A 83 83 GLY CA C 83 46.917 47.249 -0.332 1
1 822 . 5 1 1 A 83 83 GLY N N 83 113.065 114.934 -1.869 1
1 823 . 5 1 1 A 85 85 SER H H 85 8.423 7.898 0.525 1
1 824 . 5 1 1 A 85 85 SER HA H 85 4.659 4.388 0.271 1
1 827 . 5 1 1 A 85 85 SER CA C 85 58.485 58.829 -0.344 1
1 828 . 5 1 1 A 85 85 SER CB C 85 64.397 63.889 0.508 1
1 829 . 5 1 1 A 85 85 SER N N 85 119.428 116.322 3.106 1
1 830 . 5 1 1 A 86 86 LYS H H 86 8.490 8.813 -0.323 1
1 831 . 5 1 1 A 86 86 LYS HA H 86 5.243 4.967 0.276 1
1 840 . 5 1 1 A 86 86 LYS CA C 86 54.822 54.743 0.079 1
1 841 . 5 1 1 A 86 86 LYS CB C 86 35.340 34.325 1.015 1
1 845 . 5 1 1 A 86 86 LYS N N 86 125.678 126.580 -0.902 1
1 846 . 5 1 1 A 87 87 VAL H H 87 8.863 8.777 0.086 1
1 847 . 5 1 1 A 87 87 VAL HA H 87 4.300 4.724 -0.424 1
1 855 . 5 1 1 A 87 87 VAL CA C 87 60.870 60.315 0.555 1
1 856 . 5 1 1 A 87 87 VAL CB C 87 34.228 34.811 -0.583 1
1 859 . 5 1 1 A 87 87 VAL N N 87 126.631 123.801 2.830 1
1 860 . 5 1 1 A 88 88 LYS H H 88 8.475 8.978 -0.503 1
1 861 . 5 1 1 A 88 88 LYS HA H 88 5.065 5.131 -0.066 1
1 870 . 5 1 1 A 88 88 LYS CA C 88 55.124 54.397 0.727 1
1 871 . 5 1 1 A 88 88 LYS CB C 88 34.479 36.096 -1.617 1
1 874 . 5 1 1 A 88 88 LYS N N 88 125.592 123.137 2.455 1
1 875 . 5 1 1 A 89 89 PHE H H 89 8.152 8.166 -0.014 1
1 876 . 5 1 1 A 89 89 PHE HA H 89 4.601 5.528 -0.927 1
1 884 . 5 1 1 A 89 89 PHE CA C 89 56.311 55.101 1.210 1
1 885 . 5 1 1 A 89 89 PHE CB C 89 39.383 41.621 -2.238 1
1 888 . 5 1 1 A 89 89 PHE N N 89 119.005 117.153 1.852 1
1 889 . 5 1 1 A 90 90 ASP H H 90 9.006 9.048 -0.042 1
1 890 . 5 1 1 A 90 90 ASP HA H 90 5.565 5.294 0.271 1
1 893 . 5 1 1 A 90 90 ASP CA C 90 53.532 53.213 0.319 1
1 894 . 5 1 1 A 90 90 ASP CB C 90 45.151 43.027 2.124 1
1 895 . 5 1 1 A 90 90 ASP N N 90 118.742 120.862 -2.120 1
1 896 . 5 1 1 A 91 91 LEU H H 91 8.733 8.566 0.167 1
1 897 . 5 1 1 A 91 91 LEU HA H 91 5.137 5.168 -0.031 1
1 907 . 5 1 1 A 91 91 LEU CA C 91 54.171 53.815 0.356 1
1 908 . 5 1 1 A 91 91 LEU CB C 91 45.625 44.897 0.728 1
1 911 . 5 1 1 A 91 91 LEU N N 91 121.344 125.686 -4.342 1
1 912 . 5 1 1 A 92 92 LYS H H 92 8.892 8.741 0.151 1
1 913 . 5 1 1 A 92 92 LYS HA H 92 4.733 4.805 -0.072 1
1 922 . 5 1 1 A 92 92 LYS CA C 92 54.910 55.983 -1.073 1
1 923 . 5 1 1 A 92 92 LYS CB C 92 35.261 33.827 1.434 1
1 927 . 5 1 1 A 92 92 LYS N N 92 128.486 126.959 1.527 1
1 928 . 5 1 1 A 93 93 VAL H H 93 8.563 8.700 -0.137 1
1 929 . 5 1 1 A 93 93 VAL HA H 93 4.818 5.268 -0.450 1
1 937 . 5 1 1 A 93 93 VAL CA C 93 60.568 61.032 -0.464 1
1 938 . 5 1 1 A 93 93 VAL CB C 93 33.024 34.587 -1.563 1
1 941 . 5 1 1 A 93 93 VAL N N 93 124.459 122.483 1.976 1
1 942 . 5 1 1 A 94 94 ILE H H 94 8.395 8.802 -0.407 1
1 943 . 5 1 1 A 94 94 ILE HA H 94 4.162 4.863 -0.701 1
1 953 . 5 1 1 A 94 94 ILE CA C 94 60.238 59.430 0.808 1
1 954 . 5 1 1 A 94 94 ILE CB C 94 39.279 40.666 -1.387 1
1 958 . 5 1 1 A 94 94 ILE N N 94 126.433 126.299 0.134 1
1 1 . 6 1 1 A 3 3 PRO HA H 3 4.235 4.552 -0.317 1
1 8 . 6 1 1 A 3 3 PRO CA C 3 63.375 62.269 1.106 1
1 9 . 6 1 1 A 3 3 PRO CB C 3 31.835 33.247 -1.412 1
1 11 . 6 1 1 A 4 4 GLY H H 4 8.439 8.278 0.161 1
1 12 . 6 1 1 A 4 4 GLY HA2 H 4 3.854 3.908 -0.054 1
1 13 . 6 1 1 A 4 4 GLY HA3 H 4 3.819 3.908 -0.089 1
1 14 . 6 1 1 A 4 4 GLY CA C 4 45.043 46.651 -1.608 1
1 15 . 6 1 1 A 4 4 GLY N N 4 108.904 106.423 2.481 1
1 16 . 6 1 1 A 5 5 LYS H H 5 7.974 7.635 0.339 1
1 17 . 6 1 1 A 5 5 LYS HA H 5 4.265 4.356 -0.091 1
1 26 . 6 1 1 A 5 5 LYS CA C 5 55.709 55.512 0.197 1
1 27 . 6 1 1 A 5 5 LYS CB C 5 33.081 32.642 0.439 1
1 31 . 6 1 1 A 5 5 LYS N N 5 120.616 119.126 1.490 1
1 32 . 6 1 1 A 6 6 LYS H H 6 8.291 8.324 -0.033 1
1 33 . 6 1 1 A 6 6 LYS HA H 6 4.505 4.357 0.148 1
1 36 . 6 1 1 A 6 6 LYS CA C 6 54.105 55.288 -1.183 1
1 37 . 6 1 1 A 6 6 LYS CB C 6 32.381 32.346 0.035 1
1 38 . 6 1 1 A 6 6 LYS N N 6 124.267 124.506 -0.239 1
1 39 . 6 1 1 A 7 7 PRO HA H 7 4.371 4.567 -0.196 1
1 46 . 6 1 1 A 7 7 PRO CA C 7 62.738 62.844 -0.106 1
1 47 . 6 1 1 A 7 7 PRO CB C 7 31.942 31.800 0.142 1
1 50 . 6 1 1 A 8 8 VAL H H 8 8.244 8.285 -0.041 1
1 51 . 6 1 1 A 8 8 VAL HA H 8 4.012 4.026 -0.014 1
1 59 . 6 1 1 A 8 8 VAL CA C 8 61.883 62.335 -0.452 1
1 60 . 6 1 1 A 8 8 VAL CB C 8 32.743 30.678 2.065 1
1 63 . 6 1 1 A 8 8 VAL N N 8 120.593 123.626 -3.033 1
1 64 . 6 1 1 A 9 9 SER H H 9 8.296 9.063 -0.767 1
1 65 . 6 1 1 A 9 9 SER HA H 9 4.315 5.042 -0.727 1
1 68 . 6 1 1 A 9 9 SER CA C 9 57.429 57.349 0.080 1
1 69 . 6 1 1 A 9 9 SER CB C 9 63.804 66.734 -2.930 1
1 70 . 6 1 1 A 9 9 SER N N 9 118.557 125.175 -6.618 1
1 71 . 6 1 1 A 10 10 ALA H H 10 8.214 8.423 -0.209 1
1 72 . 6 1 1 A 10 10 ALA HA H 10 4.069 4.657 -0.588 1
1 76 . 6 1 1 A 10 10 ALA CA C 10 53.042 51.341 1.701 1
1 77 . 6 1 1 A 10 10 ALA CB C 10 19.919 20.180 -0.261 1
1 78 . 6 1 1 A 10 10 ALA N N 10 125.277 123.292 1.985 1
1 79 . 6 1 1 A 11 11 PHE H H 11 8.238 7.819 0.419 1
1 80 . 6 1 1 A 11 11 PHE HA H 11 4.816 4.917 -0.101 1
1 88 . 6 1 1 A 11 11 PHE CA C 11 57.727 56.272 1.455 1
1 89 . 6 1 1 A 11 11 PHE CB C 11 39.854 39.061 0.793 1
1 94 . 6 1 1 A 11 11 PHE N N 11 114.771 117.854 -3.083 1
1 95 . 6 1 1 A 12 12 SER H H 12 8.809 8.831 -0.022 1
1 96 . 6 1 1 A 12 12 SER HA H 12 4.395 4.257 0.138 1
1 99 . 6 1 1 A 12 12 SER CA C 12 58.641 61.585 -2.944 1
1 100 . 6 1 1 A 12 12 SER CB C 12 63.274 63.169 0.105 1
1 101 . 6 1 1 A 12 12 SER N N 12 119.399 121.574 -2.175 1
1 102 . 6 1 1 A 13 13 LYS H H 13 7.884 7.909 -0.025 1
1 103 . 6 1 1 A 13 13 LYS HA H 13 4.575 4.834 -0.259 1
1 112 . 6 1 1 A 13 13 LYS CA C 13 56.362 55.260 1.102 1
1 113 . 6 1 1 A 13 13 LYS CB C 13 35.664 35.179 0.485 1
1 114 . 6 1 1 A 13 13 LYS N N 13 121.565 119.111 2.454 1
1 115 . 6 1 1 A 14 14 LYS H H 14 8.744 8.586 0.158 1
1 116 . 6 1 1 A 14 14 LYS HA H 14 4.313 4.522 -0.209 1
1 123 . 6 1 1 A 14 14 LYS CA C 14 53.374 54.443 -1.069 1
1 124 . 6 1 1 A 14 14 LYS CB C 14 32.741 33.144 -0.403 1
1 127 . 6 1 1 A 14 14 LYS N N 14 125.096 127.860 -2.764 1
1 128 . 6 1 1 A 15 15 PRO HA H 15 4.693 4.925 -0.232 1
1 135 . 6 1 1 A 15 15 PRO CA C 15 62.248 62.186 0.062 1
1 136 . 6 1 1 A 15 15 PRO CB C 15 31.343 29.206 2.137 1
1 139 . 6 1 1 A 16 16 ARG H H 16 8.118 7.844 0.274 1
1 140 . 6 1 1 A 16 16 ARG HA H 16 4.592 4.371 0.221 1
1 147 . 6 1 1 A 16 16 ARG CA C 16 53.951 56.964 -3.013 1
1 148 . 6 1 1 A 16 16 ARG CB C 16 32.456 31.039 1.417 1
1 151 . 6 1 1 A 16 16 ARG N N 16 119.622 124.316 -4.694 1
1 152 . 6 1 1 A 17 17 SER H H 17 8.511 8.646 -0.135 1
1 153 . 6 1 1 A 17 17 SER HA H 17 5.281 4.574 0.707 1
1 156 . 6 1 1 A 17 17 SER CA C 17 59.888 58.693 1.195 1
1 157 . 6 1 1 A 17 17 SER CB C 17 63.405 64.239 -0.834 1
1 158 . 6 1 1 A 17 17 SER N N 17 117.935 115.968 1.967 1
1 159 . 6 1 1 A 18 18 VAL H H 18 8.389 8.663 -0.274 1
1 160 . 6 1 1 A 18 18 VAL HA H 18 4.660 4.901 -0.241 1
1 168 . 6 1 1 A 18 18 VAL CA C 18 60.004 60.011 -0.007 1
1 169 . 6 1 1 A 18 18 VAL CB C 18 36.675 35.538 1.137 1
1 172 . 6 1 1 A 18 18 VAL N N 18 117.416 122.413 -4.997 1
1 173 . 6 1 1 A 19 19 GLU H H 19 8.190 8.788 -0.598 1
1 174 . 6 1 1 A 19 19 GLU HA H 19 5.351 5.554 -0.203 1
1 179 . 6 1 1 A 19 19 GLU CA C 19 54.138 54.789 -0.651 1
1 180 . 6 1 1 A 19 19 GLU CB C 19 31.658 32.380 -0.722 1
1 181 . 6 1 1 A 19 19 GLU N N 19 124.652 122.493 2.159 1
1 182 . 6 1 1 A 20 20 VAL H H 20 8.616 8.447 0.169 1
1 183 . 6 1 1 A 20 20 VAL HA H 20 4.491 4.720 -0.229 1
1 191 . 6 1 1 A 20 20 VAL CA C 20 59.013 59.530 -0.517 1
1 192 . 6 1 1 A 20 20 VAL CB C 20 36.048 35.929 0.119 1
1 195 . 6 1 1 A 20 20 VAL N N 20 120.245 119.106 1.139 1
1 196 . 6 1 1 A 21 21 ALA H H 21 8.375 8.615 -0.240 1
1 197 . 6 1 1 A 21 21 ALA HA H 21 4.364 4.760 -0.396 1
1 201 . 6 1 1 A 21 21 ALA CA C 21 51.307 51.725 -0.418 1
1 202 . 6 1 1 A 21 21 ALA CB C 21 18.726 19.430 -0.704 1
1 203 . 6 1 1 A 21 21 ALA N N 21 126.173 125.105 1.068 1
1 204 . 6 1 1 A 22 22 ALA H H 22 8.287 7.950 0.337 1
1 205 . 6 1 1 A 22 22 ALA HA H 22 3.899 3.987 -0.088 1
1 209 . 6 1 1 A 22 22 ALA CA C 22 53.104 53.992 -0.888 1
1 210 . 6 1 1 A 22 22 ALA CB C 22 17.631 18.463 -0.832 1
1 211 . 6 1 1 A 22 22 ALA N N 22 123.045 123.157 -0.112 1
1 212 . 6 1 1 A 23 23 GLY H H 23 9.862 8.822 1.040 1
1 213 . 6 1 1 A 23 23 GLY HA2 H 23 3.255 3.986 -0.731 1
1 214 . 6 1 1 A 23 23 GLY HA3 H 23 4.371 3.988 0.383 1
1 215 . 6 1 1 A 23 23 GLY CA C 23 44.741 45.033 -0.292 1
1 216 . 6 1 1 A 23 23 GLY N N 23 112.047 111.376 0.671 1
1 217 . 6 1 1 A 24 24 SER H H 24 7.944 7.941 0.003 1
1 218 . 6 1 1 A 24 24 SER HA H 24 4.750 4.472 0.278 1
1 221 . 6 1 1 A 24 24 SER CA C 24 57.787 56.663 1.124 1
1 222 . 6 1 1 A 24 24 SER CB C 24 63.296 63.832 -0.536 1
1 223 . 6 1 1 A 24 24 SER N N 24 119.405 117.898 1.507 1
1 224 . 6 1 1 A 25 25 PRO HA H 25 5.142 4.642 0.500 1
1 231 . 6 1 1 A 25 25 PRO CA C 25 61.743 62.699 -0.956 1
1 232 . 6 1 1 A 25 25 PRO CB C 25 31.751 32.406 -0.655 1
1 235 . 6 1 1 A 26 26 ALA H H 26 8.688 8.233 0.455 1
1 236 . 6 1 1 A 26 26 ALA HA H 26 4.396 4.853 -0.457 1
1 240 . 6 1 1 A 26 26 ALA CA C 26 49.972 50.764 -0.792 1
1 241 . 6 1 1 A 26 26 ALA CB C 26 22.877 22.014 0.863 1
1 242 . 6 1 1 A 26 26 ALA N N 26 123.024 123.192 -0.168 1
1 243 . 6 1 1 A 27 27 VAL H H 27 7.751 8.697 -0.946 1
1 244 . 6 1 1 A 27 27 VAL HA H 27 4.522 5.089 -0.567 1
1 252 . 6 1 1 A 27 27 VAL CA C 27 60.899 58.885 2.014 1
1 253 . 6 1 1 A 27 27 VAL CB C 27 33.331 34.976 -1.645 1
1 255 . 6 1 1 A 27 27 VAL N N 27 121.938 122.149 -0.211 1
1 256 . 6 1 1 A 28 28 PHE H H 28 9.196 9.220 -0.024 1
1 257 . 6 1 1 A 28 28 PHE HA H 28 4.561 4.927 -0.366 1
1 265 . 6 1 1 A 28 28 PHE CA C 28 56.051 56.312 -0.261 1
1 266 . 6 1 1 A 28 28 PHE CB C 28 42.218 41.546 0.672 1
1 271 . 6 1 1 A 28 28 PHE N N 28 126.818 126.423 0.395 1
1 272 . 6 1 1 A 29 29 GLU H H 29 8.583 8.978 -0.395 1
1 273 . 6 1 1 A 29 29 GLU HA H 29 5.405 4.809 0.596 1
1 278 . 6 1 1 A 29 29 GLU CA C 29 54.508 56.181 -1.673 1
1 279 . 6 1 1 A 29 29 GLU CB C 29 33.692 30.441 3.251 1
1 280 . 6 1 1 A 29 29 GLU N N 29 120.733 123.721 -2.988 1
1 281 . 6 1 1 A 30 30 ALA H H 30 9.484 9.323 0.161 1
1 282 . 6 1 1 A 30 30 ALA HA H 30 4.691 5.326 -0.635 1
1 286 . 6 1 1 A 30 30 ALA CA C 30 49.421 50.940 -1.519 1
1 287 . 6 1 1 A 30 30 ALA CB C 30 23.523 21.966 1.557 1
1 288 . 6 1 1 A 30 30 ALA N N 30 124.341 127.157 -2.816 1
1 289 . 6 1 1 A 31 31 GLU H H 31 9.001 9.300 -0.299 1
1 290 . 6 1 1 A 31 31 GLU HA H 31 6.016 5.187 0.829 1
1 295 . 6 1 1 A 31 31 GLU CA C 31 54.301 54.937 -0.636 1
1 296 . 6 1 1 A 31 31 GLU CB C 31 33.336 32.817 0.519 1
1 298 . 6 1 1 A 31 31 GLU N N 31 120.169 123.794 -3.625 1
1 299 . 6 1 1 A 32 32 THR H H 32 9.330 8.922 0.408 1
1 300 . 6 1 1 A 32 32 THR HA H 32 4.842 4.310 0.532 1
1 305 . 6 1 1 A 32 32 THR CA C 32 59.738 60.088 -0.350 1
1 306 . 6 1 1 A 32 32 THR CB C 32 69.791 71.242 -1.451 1
1 308 . 6 1 1 A 32 32 THR N N 32 115.538 115.015 0.523 1
1 309 . 6 1 1 A 33 33 GLU H H 33 7.950 8.797 -0.847 1
1 310 . 6 1 1 A 33 33 GLU HA H 33 3.944 4.452 -0.508 1
1 315 . 6 1 1 A 33 33 GLU CA C 33 58.563 57.200 1.363 1
1 316 . 6 1 1 A 33 33 GLU CB C 33 29.836 30.089 -0.253 1
1 318 . 6 1 1 A 33 33 GLU N N 33 119.723 121.996 -2.273 1
1 319 . 6 1 1 A 34 34 ARG H H 34 7.791 7.494 0.297 1
1 320 . 6 1 1 A 34 34 ARG HA H 34 4.490 4.747 -0.257 1
1 327 . 6 1 1 A 34 34 ARG CA C 34 53.485 55.592 -2.107 1
1 328 . 6 1 1 A 34 34 ARG CB C 34 32.411 33.547 -1.136 1
1 331 . 6 1 1 A 34 34 ARG N N 34 113.251 119.098 -5.847 1
1 332 . 6 1 1 A 35 35 ALA H H 35 8.614 8.543 0.071 1
1 333 . 6 1 1 A 35 35 ALA HA H 35 4.050 4.465 -0.415 1
1 337 . 6 1 1 A 35 35 ALA CA C 35 51.762 52.572 -0.810 1
1 338 . 6 1 1 A 35 35 ALA N N 35 125.041 126.784 -1.743 1
1 339 . 6 1 1 A 36 36 GLY H H 36 8.647 8.987 -0.340 1
1 340 . 6 1 1 A 36 36 GLY HA2 H 36 3.634 3.979 -0.345 1
1 341 . 6 1 1 A 36 36 GLY HA3 H 36 3.960 3.992 -0.032 1
1 342 . 6 1 1 A 36 36 GLY CA C 36 45.703 45.004 0.699 1
1 343 . 6 1 1 A 36 36 GLY N N 36 108.031 110.416 -2.385 1
1 344 . 6 1 1 A 37 37 VAL H H 37 7.077 7.824 -0.747 1
1 345 . 6 1 1 A 37 37 VAL HA H 37 3.869 4.146 -0.277 1
1 353 . 6 1 1 A 37 37 VAL CA C 37 61.469 61.795 -0.326 1
1 354 . 6 1 1 A 37 37 VAL CB C 37 32.942 32.112 0.830 1
1 357 . 6 1 1 A 37 37 VAL N N 37 119.457 119.176 0.281 1
1 358 . 6 1 1 A 38 38 LYS H H 38 8.467 8.378 0.089 1
1 359 . 6 1 1 A 38 38 LYS HA H 38 4.267 4.831 -0.564 1
1 366 . 6 1 1 A 38 38 LYS CA C 38 55.873 55.957 -0.084 1
1 367 . 6 1 1 A 38 38 LYS CB C 38 30.881 33.251 -2.370 1
1 370 . 6 1 1 A 38 38 LYS N N 38 128.214 125.942 2.272 1
1 371 . 6 1 1 A 39 39 VAL H H 39 7.993 8.344 -0.351 1
1 372 . 6 1 1 A 39 39 VAL HA H 39 4.537 4.119 0.418 1
1 380 . 6 1 1 A 39 39 VAL CA C 39 60.114 62.078 -1.964 1
1 381 . 6 1 1 A 39 39 VAL CB C 39 33.719 31.538 2.181 1
1 384 . 6 1 1 A 39 39 VAL N N 39 123.133 125.459 -2.326 1
1 385 . 6 1 1 A 40 40 ARG H H 40 8.507 8.735 -0.228 1
1 386 . 6 1 1 A 40 40 ARG HA H 40 4.503 4.812 -0.309 1
1 393 . 6 1 1 A 40 40 ARG CA C 40 54.098 55.366 -1.268 1
1 394 . 6 1 1 A 40 40 ARG CB C 40 33.701 31.331 2.370 1
1 397 . 6 1 1 A 40 40 ARG N N 40 124.492 127.629 -3.137 1
1 398 . 6 1 1 A 41 41 TRP H H 41 9.083 8.990 0.093 1
1 399 . 6 1 1 A 41 41 TRP HA H 41 5.311 5.470 -0.159 1
1 408 . 6 1 1 A 41 41 TRP CA C 41 55.134 55.994 -0.860 1
1 409 . 6 1 1 A 41 41 TRP CB C 41 31.370 32.453 -1.083 1
1 413 . 6 1 1 A 41 41 TRP N N 41 123.367 126.470 -3.103 1
1 415 . 6 1 1 A 42 42 GLN H H 42 9.532 8.840 0.692 1
1 416 . 6 1 1 A 42 42 GLN HA H 42 5.159 4.737 0.422 1
1 423 . 6 1 1 A 42 42 GLN CA C 42 54.445 55.265 -0.820 1
1 424 . 6 1 1 A 42 42 GLN CB C 42 34.775 33.315 1.460 1
1 426 . 6 1 1 A 42 42 GLN N N 42 118.692 121.210 -2.518 1
1 427 . 6 1 1 A 43 43 ARG H H 43 8.209 8.663 -0.454 1
1 428 . 6 1 1 A 43 43 ARG HA H 43 4.039 4.425 -0.386 1
1 435 . 6 1 1 A 43 43 ARG CA C 43 54.790 53.559 1.231 1
1 436 . 6 1 1 A 43 43 ARG CB C 43 32.202 32.869 -0.667 1
1 439 . 6 1 1 A 43 43 ARG N N 43 119.579 124.780 -5.201 1
1 440 . 6 1 1 A 46 46 SER H H 46 7.513 7.935 -0.422 1
1 441 . 6 1 1 A 46 46 SER HA H 46 4.674 4.915 -0.241 1
1 444 . 6 1 1 A 46 46 SER CA C 46 56.766 57.338 -0.572 1
1 445 . 6 1 1 A 46 46 SER CB C 46 64.815 66.715 -1.900 1
1 446 . 6 1 1 A 46 46 SER N N 46 114.927 115.820 -0.893 1
1 447 . 6 1 1 A 47 47 ASP H H 47 8.698 8.474 0.224 1
1 448 . 6 1 1 A 47 47 ASP HA H 47 4.830 4.685 0.145 1
1 451 . 6 1 1 A 47 47 ASP CA C 47 55.177 54.675 0.502 1
1 452 . 6 1 1 A 47 47 ASP CB C 47 40.385 41.598 -1.213 1
1 453 . 6 1 1 A 47 47 ASP N N 47 125.553 122.240 3.313 1
1 454 . 6 1 1 A 48 48 ILE H H 48 8.781 8.587 0.194 1
1 455 . 6 1 1 A 48 48 ILE HA H 48 3.879 4.804 -0.925 1
1 465 . 6 1 1 A 48 48 ILE CA C 48 61.218 59.700 1.518 1
1 466 . 6 1 1 A 48 48 ILE CB C 48 39.345 40.634 -1.289 1
1 470 . 6 1 1 A 48 48 ILE N N 48 124.032 121.355 2.677 1
1 471 . 6 1 1 A 49 49 SER H H 49 7.963 8.582 -0.619 1
1 472 . 6 1 1 A 49 49 SER HA H 49 4.681 4.826 -0.145 1
1 475 . 6 1 1 A 49 49 SER CA C 49 56.256 56.640 -0.384 1
1 476 . 6 1 1 A 49 49 SER CB C 49 65.243 65.787 -0.544 1
1 477 . 6 1 1 A 49 49 SER N N 49 121.077 118.970 2.107 1
1 478 . 6 1 1 A 50 50 ALA H H 50 8.516 8.358 0.158 1
1 479 . 6 1 1 A 50 50 ALA HA H 50 4.302 4.574 -0.272 1
1 483 . 6 1 1 A 50 50 ALA CA C 50 53.052 52.170 0.882 1
1 484 . 6 1 1 A 50 50 ALA CB C 50 18.821 18.299 0.522 1
1 485 . 6 1 1 A 50 50 ALA N N 50 123.977 125.747 -1.770 1
1 486 . 6 1 1 A 51 51 SER H H 51 9.564 8.248 1.316 1
1 487 . 6 1 1 A 51 51 SER HA H 51 4.797 4.891 -0.094 1
1 490 . 6 1 1 A 51 51 SER CA C 51 56.946 56.950 -0.004 1
1 491 . 6 1 1 A 51 51 SER CB C 51 65.759 65.948 -0.189 1
1 492 . 6 1 1 A 51 51 SER N N 51 117.545 117.351 0.194 1
1 494 . 6 1 1 A 52 52 ASN CA C 52 55.930 54.495 1.435 1
1 495 . 6 1 1 A 52 52 ASN CB C 52 37.045 38.414 -1.369 1
1 496 . 6 1 1 A 53 53 LYS H H 53 8.053 8.911 -0.858 1
1 497 . 6 1 1 A 53 53 LYS HA H 53 3.995 3.974 0.021 1
1 506 . 6 1 1 A 53 53 LYS CA C 53 53.699 57.819 -4.120 1
1 507 . 6 1 1 A 53 53 LYS CB C 53 33.687 32.053 1.634 1
1 511 . 6 1 1 A 53 53 LYS N N 53 121.638 124.932 -3.294 1
1 512 . 6 1 1 A 54 54 TYR H H 54 6.779 7.759 -0.980 1
1 513 . 6 1 1 A 54 54 TYR HA H 54 5.484 5.243 0.241 1
1 520 . 6 1 1 A 54 54 TYR CA C 54 55.016 56.478 -1.462 1
1 521 . 6 1 1 A 54 54 TYR CB C 54 40.147 42.818 -2.671 1
1 526 . 6 1 1 A 54 54 TYR N N 54 114.754 119.166 -4.412 1
1 527 . 6 1 1 A 55 55 GLY H H 55 9.666 9.088 0.578 1
1 528 . 6 1 1 A 55 55 GLY HA2 H 55 4.653 4.176 0.477 1
1 529 . 6 1 1 A 55 55 GLY HA3 H 55 3.343 4.201 -0.858 1
1 530 . 6 1 1 A 55 55 GLY CA C 55 44.332 44.680 -0.348 1
1 531 . 6 1 1 A 55 55 GLY N N 55 110.691 112.195 -1.504 1
1 532 . 6 1 1 A 56 56 LEU H H 56 8.542 9.267 -0.725 1
1 533 . 6 1 1 A 56 56 LEU HA H 56 5.138 4.733 0.405 1
1 543 . 6 1 1 A 56 56 LEU CA C 56 54.213 53.656 0.557 1
1 544 . 6 1 1 A 56 56 LEU CB C 56 45.206 42.654 2.552 1
1 548 . 6 1 1 A 56 56 LEU N N 56 125.972 127.092 -1.120 1
1 549 . 6 1 1 A 57 57 ALA H H 57 8.594 8.952 -0.358 1
1 550 . 6 1 1 A 57 57 ALA HA H 57 4.790 5.301 -0.511 1
1 554 . 6 1 1 A 57 57 ALA CA C 57 51.318 50.441 0.877 1
1 555 . 6 1 1 A 57 57 ALA CB C 57 22.564 21.145 1.419 1
1 556 . 6 1 1 A 57 57 ALA N N 57 124.534 128.629 -4.095 1
1 557 . 6 1 1 A 58 58 THR H H 58 8.602 8.763 -0.161 1
1 558 . 6 1 1 A 58 58 THR HA H 58 4.862 4.888 -0.026 1
1 563 . 6 1 1 A 58 58 THR CA C 58 62.034 59.929 2.105 1
1 564 . 6 1 1 A 58 58 THR CB C 58 72.197 71.536 0.661 1
1 566 . 6 1 1 A 58 58 THR N N 58 119.396 115.153 4.243 1
1 567 . 6 1 1 A 59 59 GLU H H 59 8.883 8.636 0.247 1
1 568 . 6 1 1 A 59 59 GLU HA H 59 4.378 4.726 -0.348 1
1 573 . 6 1 1 A 59 59 GLU CA C 59 54.955 55.628 -0.673 1
1 574 . 6 1 1 A 59 59 GLU CB C 59 31.121 31.188 -0.067 1
1 576 . 6 1 1 A 59 59 GLU N N 59 128.594 123.814 4.780 1
1 577 . 6 1 1 A 60 60 GLY H H 60 9.045 8.896 0.149 1
1 578 . 6 1 1 A 60 60 GLY HA2 H 60 4.081 3.846 0.235 1
1 579 . 6 1 1 A 60 60 GLY HA3 H 60 3.529 3.861 -0.332 1
1 580 . 6 1 1 A 60 60 GLY CA C 60 47.127 47.146 -0.019 1
1 581 . 6 1 1 A 60 60 GLY N N 60 117.047 113.391 3.656 1
1 582 . 6 1 1 A 61 61 THR H H 61 8.332 8.616 -0.284 1
1 583 . 6 1 1 A 61 61 THR HA H 61 4.129 4.629 -0.500 1
1 588 . 6 1 1 A 61 61 THR CA C 61 61.659 62.147 -0.488 1
1 589 . 6 1 1 A 61 61 THR CB C 61 68.477 69.109 -0.632 1
1 591 . 6 1 1 A 61 61 THR N N 61 118.086 119.750 -1.664 1
1 592 . 6 1 1 A 62 62 ARG H H 62 7.906 7.588 0.318 1
1 593 . 6 1 1 A 62 62 ARG HA H 62 4.754 5.084 -0.330 1
1 600 . 6 1 1 A 62 62 ARG CA C 62 56.040 54.828 1.212 1
1 601 . 6 1 1 A 62 62 ARG CB C 62 31.775 32.972 -1.197 1
1 604 . 6 1 1 A 62 62 ARG N N 62 121.911 120.711 1.200 1
1 605 . 6 1 1 A 63 63 HIS H H 63 9.212 9.326 -0.114 1
1 606 . 6 1 1 A 63 63 HIS HA H 63 5.364 5.433 -0.069 1
1 611 . 6 1 1 A 63 63 HIS CA C 63 55.066 54.798 0.268 1
1 612 . 6 1 1 A 63 63 HIS CB C 63 33.860 32.635 1.225 1
1 614 . 6 1 1 A 63 63 HIS N N 63 127.111 119.849 7.262 1
1 615 . 6 1 1 A 64 64 THR H H 64 9.261 9.033 0.228 1
1 616 . 6 1 1 A 64 64 THR HA H 64 5.510 5.307 0.203 1
1 621 . 6 1 1 A 64 64 THR CA C 64 60.691 62.013 -1.322 1
1 622 . 6 1 1 A 64 64 THR CB C 64 71.788 69.944 1.844 1
1 624 . 6 1 1 A 64 64 THR N N 64 117.400 118.704 -1.304 1
1 625 . 6 1 1 A 65 65 LEU H H 65 8.456 8.953 -0.497 1
1 626 . 6 1 1 A 65 65 LEU HA H 65 4.642 4.655 -0.013 1
1 636 . 6 1 1 A 65 65 LEU CA C 65 52.783 53.414 -0.631 1
1 637 . 6 1 1 A 65 65 LEU CB C 65 41.350 42.775 -1.425 1
1 641 . 6 1 1 A 65 65 LEU N N 65 129.806 130.092 -0.286 1
1 642 . 6 1 1 A 66 66 THR H H 66 9.381 8.922 0.459 1
1 643 . 6 1 1 A 66 66 THR HA H 66 4.975 4.853 0.122 1
1 648 . 6 1 1 A 66 66 THR CA C 66 61.072 61.999 -0.927 1
1 649 . 6 1 1 A 66 66 THR CB C 66 70.346 69.432 0.914 1
1 651 . 6 1 1 A 66 66 THR N N 66 123.110 123.771 -0.661 1
1 652 . 6 1 1 A 67 67 VAL H H 67 9.493 9.245 0.248 1
1 653 . 6 1 1 A 67 67 VAL HA H 67 4.317 4.809 -0.492 1
1 661 . 6 1 1 A 67 67 VAL CA C 67 61.300 59.986 1.314 1
1 662 . 6 1 1 A 67 67 VAL CB C 67 31.636 34.701 -3.065 1
1 665 . 6 1 1 A 67 67 VAL N N 67 128.451 121.122 7.329 1
1 666 . 6 1 1 A 68 68 ARG H H 68 8.500 8.762 -0.262 1
1 667 . 6 1 1 A 68 68 ARG HA H 68 3.839 4.343 -0.504 1
1 674 . 6 1 1 A 68 68 ARG CA C 68 57.379 56.570 0.809 1
1 675 . 6 1 1 A 68 68 ARG CB C 68 30.481 30.520 -0.039 1
1 678 . 6 1 1 A 68 68 ARG N N 68 124.308 124.861 -0.553 1
1 679 . 6 1 1 A 69 69 GLU H H 69 8.545 7.996 0.549 1
1 680 . 6 1 1 A 69 69 GLU HA H 69 3.147 4.041 -0.894 1
1 685 . 6 1 1 A 69 69 GLU CA C 69 55.733 58.257 -2.524 1
1 686 . 6 1 1 A 69 69 GLU CB C 69 28.793 29.715 -0.922 1
1 688 . 6 1 1 A 69 69 GLU N N 69 118.177 119.511 -1.334 1
1 689 . 6 1 1 A 70 70 VAL H H 70 7.771 7.341 0.430 1
1 690 . 6 1 1 A 70 70 VAL HA H 70 3.810 3.984 -0.174 1
1 698 . 6 1 1 A 70 70 VAL CA C 70 63.848 62.693 1.155 1
1 699 . 6 1 1 A 70 70 VAL CB C 70 31.885 32.355 -0.470 1
1 702 . 6 1 1 A 70 70 VAL N N 70 117.579 119.465 -1.886 1
1 703 . 6 1 1 A 71 71 GLY H H 71 9.389 8.478 0.911 1
1 704 . 6 1 1 A 71 71 GLY HA2 H 71 4.470 4.216 0.254 1
1 705 . 6 1 1 A 71 71 GLY HA3 H 71 3.895 4.217 -0.322 1
1 706 . 6 1 1 A 71 71 GLY CA C 71 43.915 45.107 -1.192 1
1 707 . 6 1 1 A 71 71 GLY N N 71 114.169 114.711 -0.542 1
1 708 . 6 1 1 A 72 72 PRO HA H 72 4.038 4.434 -0.396 1
1 715 . 6 1 1 A 72 72 PRO CA C 72 65.800 64.627 1.173 1
1 716 . 6 1 1 A 72 72 PRO CB C 72 31.553 31.803 -0.250 1
1 719 . 6 1 1 A 73 73 ALA H H 73 8.558 8.349 0.209 1
1 720 . 6 1 1 A 73 73 ALA HA H 73 4.186 4.304 -0.118 1
1 724 . 6 1 1 A 73 73 ALA CA C 73 53.826 53.532 0.294 1
1 725 . 6 1 1 A 73 73 ALA CB C 73 18.152 19.153 -1.001 1
1 726 . 6 1 1 A 73 73 ALA N N 73 118.164 119.813 -1.649 1
1 727 . 6 1 1 A 74 74 ASP H H 74 8.381 7.753 0.628 1
1 728 . 6 1 1 A 74 74 ASP HA H 74 4.586 4.677 -0.091 1
1 731 . 6 1 1 A 74 74 ASP CA C 74 55.178 54.703 0.475 1
1 732 . 6 1 1 A 74 74 ASP CB C 74 42.280 41.222 1.058 1
1 733 . 6 1 1 A 74 74 ASP N N 74 113.856 116.684 -2.828 1
1 734 . 6 1 1 A 75 75 GLN H H 75 7.409 7.812 -0.403 1
1 735 . 6 1 1 A 75 75 GLN HA H 75 4.252 4.646 -0.394 1
1 740 . 6 1 1 A 75 75 GLN CA C 75 56.682 54.938 1.744 1
1 741 . 6 1 1 A 75 75 GLN CB C 75 30.337 27.084 3.253 1
1 743 . 6 1 1 A 75 75 GLN N N 75 119.456 120.357 -0.901 1
1 744 . 6 1 1 A 76 76 GLY H H 76 8.984 8.484 0.500 1
1 745 . 6 1 1 A 76 76 GLY HA2 H 76 4.610 4.051 0.559 1
1 746 . 6 1 1 A 76 76 GLY HA3 H 76 3.863 4.070 -0.207 1
1 747 . 6 1 1 A 76 76 GLY CA C 76 44.149 44.739 -0.590 1
1 748 . 6 1 1 A 76 76 GLY N N 76 112.000 111.977 0.023 1
1 749 . 6 1 1 A 77 77 SER H H 77 8.106 8.694 -0.588 1
1 750 . 6 1 1 A 77 77 SER HA H 77 5.009 5.428 -0.419 1
1 753 . 6 1 1 A 77 77 SER CA C 77 58.199 56.533 1.666 1
1 754 . 6 1 1 A 77 77 SER CB C 77 64.099 65.771 -1.672 1
1 755 . 6 1 1 A 77 77 SER N N 77 114.587 116.336 -1.749 1
1 756 . 6 1 1 A 78 78 TYR H H 78 9.056 9.004 0.052 1
1 757 . 6 1 1 A 78 78 TYR HA H 78 4.530 4.785 -0.255 1
1 764 . 6 1 1 A 78 78 TYR CA C 78 56.450 56.592 -0.142 1
1 765 . 6 1 1 A 78 78 TYR CB C 78 43.805 39.128 4.677 1
1 770 . 6 1 1 A 78 78 TYR N N 78 127.751 123.692 4.059 1
1 771 . 6 1 1 A 79 79 ALA H H 79 8.558 8.745 -0.187 1
1 772 . 6 1 1 A 79 79 ALA HA H 79 5.233 5.259 -0.026 1
1 776 . 6 1 1 A 79 79 ALA CA C 79 50.806 49.882 0.924 1
1 777 . 6 1 1 A 79 79 ALA CB C 79 23.130 22.220 0.910 1
1 778 . 6 1 1 A 79 79 ALA N N 79 118.647 125.323 -6.676 1
1 779 . 6 1 1 A 80 80 VAL H H 80 8.717 8.511 0.206 1
1 780 . 6 1 1 A 80 80 VAL HA H 80 4.905 4.737 0.168 1
1 788 . 6 1 1 A 80 80 VAL CA C 80 58.760 60.119 -1.359 1
1 789 . 6 1 1 A 80 80 VAL CB C 80 35.087 34.660 0.427 1
1 792 . 6 1 1 A 80 80 VAL N N 80 118.846 118.144 0.702 1
1 793 . 6 1 1 A 81 81 ILE H H 81 8.739 9.049 -0.310 1
1 794 . 6 1 1 A 81 81 ILE HA H 81 5.012 5.173 -0.161 1
1 804 . 6 1 1 A 81 81 ILE CA C 81 59.751 59.764 -0.013 1
1 805 . 6 1 1 A 81 81 ILE CB C 81 42.030 41.100 0.930 1
1 809 . 6 1 1 A 81 81 ILE N N 81 126.232 129.107 -2.875 1
1 810 . 6 1 1 A 82 82 ALA H H 82 8.388 8.658 -0.270 1
1 811 . 6 1 1 A 82 82 ALA HA H 82 4.449 4.617 -0.168 1
1 815 . 6 1 1 A 82 82 ALA CA C 82 50.839 51.593 -0.754 1
1 816 . 6 1 1 A 82 82 ALA CB C 82 21.160 21.806 -0.646 1
1 817 . 6 1 1 A 82 82 ALA N N 82 128.273 126.578 1.695 1
1 818 . 6 1 1 A 83 83 GLY H H 83 8.841 8.862 -0.021 1
1 819 . 6 1 1 A 83 83 GLY HA2 H 83 3.815 3.833 -0.018 1
1 820 . 6 1 1 A 83 83 GLY HA3 H 83 3.509 3.848 -0.339 1
1 821 . 6 1 1 A 83 83 GLY CA C 83 46.917 47.259 -0.342 1
1 822 . 6 1 1 A 83 83 GLY N N 83 113.065 112.379 0.686 1
1 823 . 6 1 1 A 85 85 SER H H 85 8.423 7.957 0.466 1
1 824 . 6 1 1 A 85 85 SER HA H 85 4.659 5.010 -0.351 1
1 827 . 6 1 1 A 85 85 SER CA C 85 58.485 56.904 1.581 1
1 828 . 6 1 1 A 85 85 SER CB C 85 64.397 65.704 -1.307 1
1 829 . 6 1 1 A 85 85 SER N N 85 119.428 118.114 1.314 1
1 830 . 6 1 1 A 86 86 LYS H H 86 8.490 8.922 -0.432 1
1 831 . 6 1 1 A 86 86 LYS HA H 86 5.243 5.093 0.150 1
1 840 . 6 1 1 A 86 86 LYS CA C 86 54.822 54.635 0.187 1
1 841 . 6 1 1 A 86 86 LYS CB C 86 35.340 35.607 -0.267 1
1 845 . 6 1 1 A 86 86 LYS N N 86 125.678 125.565 0.113 1
1 846 . 6 1 1 A 87 87 VAL H H 87 8.863 8.586 0.277 1
1 847 . 6 1 1 A 87 87 VAL HA H 87 4.300 4.762 -0.462 1
1 855 . 6 1 1 A 87 87 VAL CA C 87 60.870 58.853 2.017 1
1 856 . 6 1 1 A 87 87 VAL CB C 87 34.228 35.447 -1.219 1
1 859 . 6 1 1 A 87 87 VAL N N 87 126.631 119.880 6.751 1
1 860 . 6 1 1 A 88 88 LYS H H 88 8.475 8.983 -0.508 1
1 861 . 6 1 1 A 88 88 LYS HA H 88 5.065 4.983 0.082 1
1 870 . 6 1 1 A 88 88 LYS CA C 88 55.124 54.368 0.756 1
1 871 . 6 1 1 A 88 88 LYS CB C 88 34.479 36.271 -1.792 1
1 874 . 6 1 1 A 88 88 LYS N N 88 125.592 122.056 3.536 1
1 875 . 6 1 1 A 89 89 PHE H H 89 8.152 8.393 -0.241 1
1 876 . 6 1 1 A 89 89 PHE HA H 89 4.601 5.530 -0.929 1
1 884 . 6 1 1 A 89 89 PHE CA C 89 56.311 55.335 0.976 1
1 885 . 6 1 1 A 89 89 PHE CB C 89 39.383 42.541 -3.158 1
1 888 . 6 1 1 A 89 89 PHE N N 89 119.005 116.938 2.067 1
1 889 . 6 1 1 A 90 90 ASP H H 90 9.006 9.047 -0.041 1
1 890 . 6 1 1 A 90 90 ASP HA H 90 5.565 5.259 0.306 1
1 893 . 6 1 1 A 90 90 ASP CA C 90 53.532 54.054 -0.522 1
1 894 . 6 1 1 A 90 90 ASP CB C 90 45.151 42.841 2.310 1
1 895 . 6 1 1 A 90 90 ASP N N 90 118.742 120.022 -1.280 1
1 896 . 6 1 1 A 91 91 LEU H H 91 8.733 9.076 -0.343 1
1 897 . 6 1 1 A 91 91 LEU HA H 91 5.137 5.189 -0.052 1
1 907 . 6 1 1 A 91 91 LEU CA C 91 54.171 53.806 0.365 1
1 908 . 6 1 1 A 91 91 LEU CB C 91 45.625 44.683 0.942 1
1 911 . 6 1 1 A 91 91 LEU N N 91 121.344 126.359 -5.015 1
1 912 . 6 1 1 A 92 92 LYS H H 92 8.892 8.512 0.380 1
1 913 . 6 1 1 A 92 92 LYS HA H 92 4.733 4.769 -0.036 1
1 922 . 6 1 1 A 92 92 LYS CA C 92 54.910 55.953 -1.043 1
1 923 . 6 1 1 A 92 92 LYS CB C 92 35.261 33.176 2.085 1
1 927 . 6 1 1 A 92 92 LYS N N 92 128.486 127.233 1.253 1
1 928 . 6 1 1 A 93 93 VAL H H 93 8.563 8.471 0.092 1
1 929 . 6 1 1 A 93 93 VAL HA H 93 4.818 4.630 0.188 1
1 937 . 6 1 1 A 93 93 VAL CA C 93 60.568 62.260 -1.692 1
1 938 . 6 1 1 A 93 93 VAL CB C 93 33.024 32.305 0.719 1
1 941 . 6 1 1 A 93 93 VAL N N 93 124.459 125.489 -1.030 1
1 942 . 6 1 1 A 94 94 ILE H H 94 8.395 8.867 -0.472 1
1 943 . 6 1 1 A 94 94 ILE HA H 94 4.162 4.719 -0.557 1
1 953 . 6 1 1 A 94 94 ILE CA C 94 60.238 59.841 0.397 1
1 954 . 6 1 1 A 94 94 ILE CB C 94 39.279 39.964 -0.685 1
1 958 . 6 1 1 A 94 94 ILE N N 94 126.433 127.755 -1.322 1
1 1 . 7 1 1 A 3 3 PRO HA H 3 4.235 4.579 -0.344 1
1 8 . 7 1 1 A 3 3 PRO CA C 3 63.375 62.437 0.938 1
1 9 . 7 1 1 A 3 3 PRO CB C 3 31.835 33.042 -1.207 1
1 11 . 7 1 1 A 4 4 GLY H H 4 8.439 8.362 0.077 1
1 12 . 7 1 1 A 4 4 GLY HA2 H 4 3.854 3.816 0.038 1
1 13 . 7 1 1 A 4 4 GLY HA3 H 4 3.819 3.817 0.002 1
1 14 . 7 1 1 A 4 4 GLY CA C 4 45.043 46.946 -1.903 1
1 15 . 7 1 1 A 4 4 GLY N N 4 108.904 106.803 2.101 1
1 16 . 7 1 1 A 5 5 LYS H H 5 7.974 7.477 0.497 1
1 17 . 7 1 1 A 5 5 LYS HA H 5 4.265 4.251 0.014 1
1 26 . 7 1 1 A 5 5 LYS CA C 5 55.709 56.560 -0.851 1
1 27 . 7 1 1 A 5 5 LYS CB C 5 33.081 33.149 -0.068 1
1 31 . 7 1 1 A 5 5 LYS N N 5 120.616 119.177 1.439 1
1 32 . 7 1 1 A 6 6 LYS H H 6 8.291 8.325 -0.034 1
1 33 . 7 1 1 A 6 6 LYS HA H 6 4.505 4.816 -0.311 1
1 36 . 7 1 1 A 6 6 LYS CA C 6 54.105 54.316 -0.211 1
1 37 . 7 1 1 A 6 6 LYS CB C 6 32.381 32.850 -0.469 1
1 38 . 7 1 1 A 6 6 LYS N N 6 124.267 121.934 2.333 1
1 39 . 7 1 1 A 7 7 PRO HA H 7 4.371 4.478 -0.107 1
1 46 . 7 1 1 A 7 7 PRO CA C 7 62.738 62.927 -0.189 1
1 47 . 7 1 1 A 7 7 PRO CB C 7 31.942 32.258 -0.316 1
1 50 . 7 1 1 A 8 8 VAL H H 8 8.244 8.280 -0.036 1
1 51 . 7 1 1 A 8 8 VAL HA H 8 4.012 4.003 0.009 1
1 59 . 7 1 1 A 8 8 VAL CA C 8 61.883 62.367 -0.484 1
1 60 . 7 1 1 A 8 8 VAL CB C 8 32.743 30.687 2.056 1
1 63 . 7 1 1 A 8 8 VAL N N 8 120.593 123.885 -3.292 1
1 64 . 7 1 1 A 9 9 SER H H 9 8.296 8.317 -0.021 1
1 65 . 7 1 1 A 9 9 SER HA H 9 4.315 5.199 -0.884 1
1 68 . 7 1 1 A 9 9 SER CA C 9 57.429 56.169 1.260 1
1 69 . 7 1 1 A 9 9 SER CB C 9 63.804 66.108 -2.304 1
1 70 . 7 1 1 A 9 9 SER N N 9 118.557 120.312 -1.755 1
1 71 . 7 1 1 A 10 10 ALA H H 10 8.214 8.494 -0.280 1
1 72 . 7 1 1 A 10 10 ALA HA H 10 4.069 4.632 -0.563 1
1 76 . 7 1 1 A 10 10 ALA CA C 10 53.042 51.280 1.762 1
1 77 . 7 1 1 A 10 10 ALA CB C 10 19.919 19.587 0.332 1
1 78 . 7 1 1 A 10 10 ALA N N 10 125.277 121.343 3.934 1
1 79 . 7 1 1 A 11 11 PHE H H 11 8.238 7.820 0.418 1
1 80 . 7 1 1 A 11 11 PHE HA H 11 4.816 5.004 -0.188 1
1 88 . 7 1 1 A 11 11 PHE CA C 11 57.727 56.165 1.562 1
1 89 . 7 1 1 A 11 11 PHE CB C 11 39.854 39.961 -0.107 1
1 94 . 7 1 1 A 11 11 PHE N N 11 114.771 118.237 -3.466 1
1 95 . 7 1 1 A 12 12 SER H H 12 8.809 8.876 -0.067 1
1 96 . 7 1 1 A 12 12 SER HA H 12 4.395 4.336 0.059 1
1 99 . 7 1 1 A 12 12 SER CA C 12 58.641 61.023 -2.382 1
1 100 . 7 1 1 A 12 12 SER CB C 12 63.274 63.353 -0.079 1
1 101 . 7 1 1 A 12 12 SER N N 12 119.399 120.962 -1.563 1
1 102 . 7 1 1 A 13 13 LYS H H 13 7.884 7.838 0.046 1
1 103 . 7 1 1 A 13 13 LYS HA H 13 4.575 4.871 -0.296 1
1 112 . 7 1 1 A 13 13 LYS CA C 13 56.362 55.368 0.994 1
1 113 . 7 1 1 A 13 13 LYS CB C 13 35.664 35.104 0.560 1
1 114 . 7 1 1 A 13 13 LYS N N 13 121.565 119.767 1.798 1
1 115 . 7 1 1 A 14 14 LYS H H 14 8.744 8.597 0.147 1
1 116 . 7 1 1 A 14 14 LYS HA H 14 4.313 4.551 -0.238 1
1 123 . 7 1 1 A 14 14 LYS CA C 14 53.374 54.367 -0.993 1
1 124 . 7 1 1 A 14 14 LYS CB C 14 32.741 33.069 -0.328 1
1 127 . 7 1 1 A 14 14 LYS N N 14 125.096 128.130 -3.034 1
1 128 . 7 1 1 A 15 15 PRO HA H 15 4.693 4.638 0.055 1
1 135 . 7 1 1 A 15 15 PRO CA C 15 62.248 62.206 0.042 1
1 136 . 7 1 1 A 15 15 PRO CB C 15 31.343 29.142 2.201 1
1 139 . 7 1 1 A 16 16 ARG H H 16 8.118 8.151 -0.033 1
1 140 . 7 1 1 A 16 16 ARG HA H 16 4.592 4.254 0.338 1
1 147 . 7 1 1 A 16 16 ARG CA C 16 53.951 56.220 -2.269 1
1 148 . 7 1 1 A 16 16 ARG CB C 16 32.456 30.446 2.010 1
1 151 . 7 1 1 A 16 16 ARG N N 16 119.622 119.347 0.275 1
1 152 . 7 1 1 A 17 17 SER H H 17 8.511 8.612 -0.101 1
1 153 . 7 1 1 A 17 17 SER HA H 17 5.281 4.613 0.668 1
1 156 . 7 1 1 A 17 17 SER CA C 17 59.888 58.379 1.509 1
1 157 . 7 1 1 A 17 17 SER CB C 17 63.405 64.507 -1.102 1
1 158 . 7 1 1 A 17 17 SER N N 17 117.935 115.670 2.265 1
1 159 . 7 1 1 A 18 18 VAL H H 18 8.389 8.875 -0.486 1
1 160 . 7 1 1 A 18 18 VAL HA H 18 4.660 5.095 -0.435 1
1 168 . 7 1 1 A 18 18 VAL CA C 18 60.004 58.932 1.072 1
1 169 . 7 1 1 A 18 18 VAL CB C 18 36.675 36.448 0.227 1
1 172 . 7 1 1 A 18 18 VAL N N 18 117.416 116.717 0.699 1
1 173 . 7 1 1 A 19 19 GLU H H 19 8.190 8.970 -0.780 1
1 174 . 7 1 1 A 19 19 GLU HA H 19 5.351 5.397 -0.046 1
1 179 . 7 1 1 A 19 19 GLU CA C 19 54.138 54.693 -0.555 1
1 180 . 7 1 1 A 19 19 GLU CB C 19 31.658 33.164 -1.506 1
1 181 . 7 1 1 A 19 19 GLU N N 19 124.652 118.910 5.742 1
1 182 . 7 1 1 A 20 20 VAL H H 20 8.616 8.436 0.180 1
1 183 . 7 1 1 A 20 20 VAL HA H 20 4.491 4.736 -0.245 1
1 191 . 7 1 1 A 20 20 VAL CA C 20 59.013 59.599 -0.586 1
1 192 . 7 1 1 A 20 20 VAL CB C 20 36.048 35.896 0.152 1
1 195 . 7 1 1 A 20 20 VAL N N 20 120.245 118.883 1.362 1
1 196 . 7 1 1 A 21 21 ALA H H 21 8.375 8.642 -0.267 1
1 197 . 7 1 1 A 21 21 ALA HA H 21 4.364 4.695 -0.331 1
1 201 . 7 1 1 A 21 21 ALA CA C 21 51.307 51.825 -0.518 1
1 202 . 7 1 1 A 21 21 ALA CB C 21 18.726 19.170 -0.444 1
1 203 . 7 1 1 A 21 21 ALA N N 21 126.173 125.408 0.765 1
1 204 . 7 1 1 A 22 22 ALA H H 22 8.287 7.931 0.356 1
1 205 . 7 1 1 A 22 22 ALA HA H 22 3.899 3.985 -0.086 1
1 209 . 7 1 1 A 22 22 ALA CA C 22 53.104 54.042 -0.938 1
1 210 . 7 1 1 A 22 22 ALA CB C 22 17.631 18.466 -0.835 1
1 211 . 7 1 1 A 22 22 ALA N N 22 123.045 123.161 -0.116 1
1 212 . 7 1 1 A 23 23 GLY H H 23 9.862 8.816 1.046 1
1 213 . 7 1 1 A 23 23 GLY HA2 H 23 3.255 3.986 -0.731 1
1 214 . 7 1 1 A 23 23 GLY HA3 H 23 4.371 3.989 0.382 1
1 215 . 7 1 1 A 23 23 GLY CA C 23 44.741 44.985 -0.244 1
1 216 . 7 1 1 A 23 23 GLY N N 23 112.047 111.759 0.288 1
1 217 . 7 1 1 A 24 24 SER H H 24 7.944 7.924 0.020 1
1 218 . 7 1 1 A 24 24 SER HA H 24 4.750 4.502 0.248 1
1 221 . 7 1 1 A 24 24 SER CA C 24 57.787 56.358 1.429 1
1 222 . 7 1 1 A 24 24 SER CB C 24 63.296 63.791 -0.495 1
1 223 . 7 1 1 A 24 24 SER N N 24 119.405 117.856 1.549 1
1 224 . 7 1 1 A 25 25 PRO HA H 25 5.142 4.663 0.479 1
1 231 . 7 1 1 A 25 25 PRO CA C 25 61.743 62.721 -0.978 1
1 232 . 7 1 1 A 25 25 PRO CB C 25 31.751 32.110 -0.359 1
1 235 . 7 1 1 A 26 26 ALA H H 26 8.688 8.247 0.441 1
1 236 . 7 1 1 A 26 26 ALA HA H 26 4.396 4.869 -0.473 1
1 240 . 7 1 1 A 26 26 ALA CA C 26 49.972 50.784 -0.812 1
1 241 . 7 1 1 A 26 26 ALA CB C 26 22.877 21.918 0.959 1
1 242 . 7 1 1 A 26 26 ALA N N 26 123.024 123.927 -0.903 1
1 243 . 7 1 1 A 27 27 VAL H H 27 7.751 8.489 -0.738 1
1 244 . 7 1 1 A 27 27 VAL HA H 27 4.522 4.880 -0.358 1
1 252 . 7 1 1 A 27 27 VAL CA C 27 60.899 60.368 0.531 1
1 253 . 7 1 1 A 27 27 VAL CB C 27 33.331 35.458 -2.127 1
1 255 . 7 1 1 A 27 27 VAL N N 27 121.938 122.012 -0.074 1
1 256 . 7 1 1 A 28 28 PHE H H 28 9.196 9.045 0.151 1
1 257 . 7 1 1 A 28 28 PHE HA H 28 4.561 5.046 -0.485 1
1 265 . 7 1 1 A 28 28 PHE CA C 28 56.051 56.259 -0.208 1
1 266 . 7 1 1 A 28 28 PHE CB C 28 42.218 41.740 0.478 1
1 271 . 7 1 1 A 28 28 PHE N N 28 126.818 125.548 1.270 1
1 272 . 7 1 1 A 29 29 GLU H H 29 8.583 9.126 -0.543 1
1 273 . 7 1 1 A 29 29 GLU HA H 29 5.405 4.964 0.441 1
1 278 . 7 1 1 A 29 29 GLU CA C 29 54.508 55.670 -1.162 1
1 279 . 7 1 1 A 29 29 GLU CB C 29 33.692 31.449 2.243 1
1 280 . 7 1 1 A 29 29 GLU N N 29 120.733 124.772 -4.039 1
1 281 . 7 1 1 A 30 30 ALA H H 30 9.484 9.748 -0.264 1
1 282 . 7 1 1 A 30 30 ALA HA H 30 4.691 5.483 -0.792 1
1 286 . 7 1 1 A 30 30 ALA CA C 30 49.421 50.237 -0.816 1
1 287 . 7 1 1 A 30 30 ALA CB C 30 23.523 23.314 0.209 1
1 288 . 7 1 1 A 30 30 ALA N N 30 124.341 129.337 -4.996 1
1 289 . 7 1 1 A 31 31 GLU H H 31 9.001 9.057 -0.056 1
1 290 . 7 1 1 A 31 31 GLU HA H 31 6.016 5.084 0.932 1
1 295 . 7 1 1 A 31 31 GLU CA C 31 54.301 55.256 -0.955 1
1 296 . 7 1 1 A 31 31 GLU CB C 31 33.336 33.571 -0.235 1
1 298 . 7 1 1 A 31 31 GLU N N 31 120.169 120.660 -0.491 1
1 299 . 7 1 1 A 32 32 THR H H 32 9.330 8.730 0.600 1
1 300 . 7 1 1 A 32 32 THR HA H 32 4.842 4.343 0.499 1
1 305 . 7 1 1 A 32 32 THR CA C 32 59.738 60.078 -0.340 1
1 306 . 7 1 1 A 32 32 THR CB C 32 69.791 71.193 -1.402 1
1 308 . 7 1 1 A 32 32 THR N N 32 115.538 116.149 -0.611 1
1 309 . 7 1 1 A 33 33 GLU H H 33 7.950 8.819 -0.869 1
1 310 . 7 1 1 A 33 33 GLU HA H 33 3.944 4.393 -0.449 1
1 315 . 7 1 1 A 33 33 GLU CA C 33 58.563 57.302 1.261 1
1 316 . 7 1 1 A 33 33 GLU CB C 33 29.836 30.759 -0.923 1
1 318 . 7 1 1 A 33 33 GLU N N 33 119.723 121.867 -2.144 1
1 319 . 7 1 1 A 34 34 ARG H H 34 7.791 7.510 0.281 1
1 320 . 7 1 1 A 34 34 ARG HA H 34 4.490 4.767 -0.277 1
1 327 . 7 1 1 A 34 34 ARG CA C 34 53.485 55.431 -1.946 1
1 328 . 7 1 1 A 34 34 ARG CB C 34 32.411 33.703 -1.292 1
1 331 . 7 1 1 A 34 34 ARG N N 34 113.251 118.971 -5.720 1
1 332 . 7 1 1 A 35 35 ALA H H 35 8.614 8.517 0.097 1
1 333 . 7 1 1 A 35 35 ALA HA H 35 4.050 4.513 -0.463 1
1 337 . 7 1 1 A 35 35 ALA CA C 35 51.762 51.939 -0.177 1
1 338 . 7 1 1 A 35 35 ALA N N 35 125.041 126.410 -1.369 1
1 339 . 7 1 1 A 36 36 GLY H H 36 8.647 8.868 -0.221 1
1 340 . 7 1 1 A 36 36 GLY HA2 H 36 3.634 3.991 -0.357 1
1 341 . 7 1 1 A 36 36 GLY HA3 H 36 3.960 3.999 -0.039 1
1 342 . 7 1 1 A 36 36 GLY CA C 36 45.703 45.067 0.636 1
1 343 . 7 1 1 A 36 36 GLY N N 36 108.031 109.992 -1.961 1
1 344 . 7 1 1 A 37 37 VAL H H 37 7.077 7.849 -0.772 1
1 345 . 7 1 1 A 37 37 VAL HA H 37 3.869 4.201 -0.332 1
1 353 . 7 1 1 A 37 37 VAL CA C 37 61.469 61.924 -0.455 1
1 354 . 7 1 1 A 37 37 VAL CB C 37 32.942 32.745 0.197 1
1 357 . 7 1 1 A 37 37 VAL N N 37 119.457 119.271 0.186 1
1 358 . 7 1 1 A 38 38 LYS H H 38 8.467 8.412 0.055 1
1 359 . 7 1 1 A 38 38 LYS HA H 38 4.267 4.933 -0.666 1
1 366 . 7 1 1 A 38 38 LYS CA C 38 55.873 55.033 0.840 1
1 367 . 7 1 1 A 38 38 LYS CB C 38 30.881 34.716 -3.835 1
1 370 . 7 1 1 A 38 38 LYS N N 38 128.214 123.069 5.145 1
1 371 . 7 1 1 A 39 39 VAL H H 39 7.993 8.502 -0.509 1
1 372 . 7 1 1 A 39 39 VAL HA H 39 4.537 4.451 0.086 1
1 380 . 7 1 1 A 39 39 VAL CA C 39 60.114 61.355 -1.241 1
1 381 . 7 1 1 A 39 39 VAL CB C 39 33.719 32.126 1.593 1
1 384 . 7 1 1 A 39 39 VAL N N 39 123.133 123.176 -0.043 1
1 385 . 7 1 1 A 40 40 ARG H H 40 8.507 8.484 0.023 1
1 386 . 7 1 1 A 40 40 ARG HA H 40 4.503 4.732 -0.229 1
1 393 . 7 1 1 A 40 40 ARG CA C 40 54.098 55.957 -1.859 1
1 394 . 7 1 1 A 40 40 ARG CB C 40 33.701 30.789 2.912 1
1 397 . 7 1 1 A 40 40 ARG N N 40 124.492 125.870 -1.378 1
1 398 . 7 1 1 A 41 41 TRP H H 41 9.083 8.962 0.121 1
1 399 . 7 1 1 A 41 41 TRP HA H 41 5.311 5.440 -0.129 1
1 408 . 7 1 1 A 41 41 TRP CA C 41 55.134 55.861 -0.727 1
1 409 . 7 1 1 A 41 41 TRP CB C 41 31.370 32.979 -1.609 1
1 413 . 7 1 1 A 41 41 TRP N N 41 123.367 121.787 1.580 1
1 415 . 7 1 1 A 42 42 GLN H H 42 9.532 9.261 0.271 1
1 416 . 7 1 1 A 42 42 GLN HA H 42 5.159 4.867 0.292 1
1 423 . 7 1 1 A 42 42 GLN CA C 42 54.445 54.331 0.114 1
1 424 . 7 1 1 A 42 42 GLN CB C 42 34.775 32.689 2.086 1
1 426 . 7 1 1 A 42 42 GLN N N 42 118.692 122.133 -3.441 1
1 427 . 7 1 1 A 43 43 ARG H H 43 8.209 8.927 -0.718 1
1 428 . 7 1 1 A 43 43 ARG HA H 43 4.039 4.293 -0.254 1
1 435 . 7 1 1 A 43 43 ARG CA C 43 54.790 53.824 0.966 1
1 436 . 7 1 1 A 43 43 ARG CB C 43 32.202 32.706 -0.504 1
1 439 . 7 1 1 A 43 43 ARG N N 43 119.579 124.870 -5.291 1
1 440 . 7 1 1 A 46 46 SER H H 46 7.513 7.822 -0.309 1
1 441 . 7 1 1 A 46 46 SER HA H 46 4.674 4.824 -0.150 1
1 444 . 7 1 1 A 46 46 SER CA C 46 56.766 56.599 0.167 1
1 445 . 7 1 1 A 46 46 SER CB C 46 64.815 66.324 -1.509 1
1 446 . 7 1 1 A 46 46 SER N N 46 114.927 116.712 -1.785 1
1 447 . 7 1 1 A 47 47 ASP H H 47 8.698 8.352 0.346 1
1 448 . 7 1 1 A 47 47 ASP HA H 47 4.830 4.947 -0.117 1
1 451 . 7 1 1 A 47 47 ASP CA C 47 55.177 54.387 0.790 1
1 452 . 7 1 1 A 47 47 ASP CB C 47 40.385 42.258 -1.873 1
1 453 . 7 1 1 A 47 47 ASP N N 47 125.553 122.212 3.341 1
1 454 . 7 1 1 A 48 48 ILE H H 48 8.781 8.431 0.350 1
1 455 . 7 1 1 A 48 48 ILE HA H 48 3.879 4.682 -0.803 1
1 465 . 7 1 1 A 48 48 ILE CA C 48 61.218 59.665 1.553 1
1 466 . 7 1 1 A 48 48 ILE CB C 48 39.345 40.351 -1.006 1
1 470 . 7 1 1 A 48 48 ILE N N 48 124.032 121.411 2.621 1
1 471 . 7 1 1 A 49 49 SER H H 49 7.963 8.526 -0.563 1
1 472 . 7 1 1 A 49 49 SER HA H 49 4.681 4.800 -0.119 1
1 475 . 7 1 1 A 49 49 SER CA C 49 56.256 56.859 -0.603 1
1 476 . 7 1 1 A 49 49 SER CB C 49 65.243 65.850 -0.607 1
1 477 . 7 1 1 A 49 49 SER N N 49 121.077 119.064 2.013 1
1 478 . 7 1 1 A 50 50 ALA H H 50 8.516 8.411 0.105 1
1 479 . 7 1 1 A 50 50 ALA HA H 50 4.302 4.542 -0.240 1
1 483 . 7 1 1 A 50 50 ALA CA C 50 53.052 52.167 0.885 1
1 484 . 7 1 1 A 50 50 ALA CB C 50 18.821 18.180 0.641 1
1 485 . 7 1 1 A 50 50 ALA N N 50 123.977 126.075 -2.098 1
1 486 . 7 1 1 A 51 51 SER H H 51 9.564 8.416 1.148 1
1 487 . 7 1 1 A 51 51 SER HA H 51 4.797 4.872 -0.075 1
1 490 . 7 1 1 A 51 51 SER CA C 51 56.946 56.196 0.750 1
1 491 . 7 1 1 A 51 51 SER CB C 51 65.759 65.875 -0.116 1
1 492 . 7 1 1 A 51 51 SER N N 51 117.545 117.571 -0.026 1
1 494 . 7 1 1 A 52 52 ASN CA C 52 55.930 54.239 1.691 1
1 495 . 7 1 1 A 52 52 ASN CB C 52 37.045 38.509 -1.464 1
1 496 . 7 1 1 A 53 53 LYS H H 53 8.053 8.819 -0.766 1
1 497 . 7 1 1 A 53 53 LYS HA H 53 3.995 3.943 0.052 1
1 506 . 7 1 1 A 53 53 LYS CA C 53 53.699 57.751 -4.052 1
1 507 . 7 1 1 A 53 53 LYS CB C 53 33.687 31.970 1.717 1
1 511 . 7 1 1 A 53 53 LYS N N 53 121.638 122.074 -0.436 1
1 512 . 7 1 1 A 54 54 TYR H H 54 6.779 7.859 -1.080 1
1 513 . 7 1 1 A 54 54 TYR HA H 54 5.484 5.299 0.185 1
1 520 . 7 1 1 A 54 54 TYR CA C 54 55.016 56.436 -1.420 1
1 521 . 7 1 1 A 54 54 TYR CB C 54 40.147 43.499 -3.352 1
1 526 . 7 1 1 A 54 54 TYR N N 54 114.754 118.493 -3.739 1
1 527 . 7 1 1 A 55 55 GLY H H 55 9.666 8.617 1.049 1
1 528 . 7 1 1 A 55 55 GLY HA2 H 55 4.653 4.237 0.416 1
1 529 . 7 1 1 A 55 55 GLY HA3 H 55 3.343 4.255 -0.912 1
1 530 . 7 1 1 A 55 55 GLY CA C 55 44.332 45.370 -1.038 1
1 531 . 7 1 1 A 55 55 GLY N N 55 110.691 108.589 2.102 1
1 532 . 7 1 1 A 56 56 LEU H H 56 8.542 8.935 -0.393 1
1 533 . 7 1 1 A 56 56 LEU HA H 56 5.138 4.811 0.327 1
1 543 . 7 1 1 A 56 56 LEU CA C 56 54.213 53.886 0.327 1
1 544 . 7 1 1 A 56 56 LEU CB C 56 45.206 44.327 0.879 1
1 548 . 7 1 1 A 56 56 LEU N N 56 125.972 125.428 0.544 1
1 549 . 7 1 1 A 57 57 ALA H H 57 8.594 9.189 -0.595 1
1 550 . 7 1 1 A 57 57 ALA HA H 57 4.790 4.909 -0.119 1
1 554 . 7 1 1 A 57 57 ALA CA C 57 51.318 50.208 1.110 1
1 555 . 7 1 1 A 57 57 ALA CB C 57 22.564 20.041 2.523 1
1 556 . 7 1 1 A 57 57 ALA N N 57 124.534 127.533 -2.999 1
1 557 . 7 1 1 A 58 58 THR H H 58 8.602 8.963 -0.361 1
1 558 . 7 1 1 A 58 58 THR HA H 58 4.862 4.618 0.244 1
1 563 . 7 1 1 A 58 58 THR CA C 58 62.034 60.027 2.007 1
1 564 . 7 1 1 A 58 58 THR CB C 58 72.197 70.968 1.229 1
1 566 . 7 1 1 A 58 58 THR N N 58 119.396 119.148 0.248 1
1 567 . 7 1 1 A 59 59 GLU H H 59 8.883 8.637 0.246 1
1 568 . 7 1 1 A 59 59 GLU HA H 59 4.378 4.489 -0.111 1
1 573 . 7 1 1 A 59 59 GLU CA C 59 54.955 54.974 -0.019 1
1 574 . 7 1 1 A 59 59 GLU CB C 59 31.121 30.485 0.636 1
1 576 . 7 1 1 A 59 59 GLU N N 59 128.594 127.542 1.052 1
1 577 . 7 1 1 A 60 60 GLY H H 60 9.045 8.913 0.132 1
1 578 . 7 1 1 A 60 60 GLY HA2 H 60 4.081 3.859 0.222 1
1 579 . 7 1 1 A 60 60 GLY HA3 H 60 3.529 3.860 -0.331 1
1 580 . 7 1 1 A 60 60 GLY CA C 60 47.127 47.227 -0.100 1
1 581 . 7 1 1 A 60 60 GLY N N 60 117.047 116.010 1.037 1
1 582 . 7 1 1 A 61 61 THR H H 61 8.332 8.457 -0.125 1
1 583 . 7 1 1 A 61 61 THR HA H 61 4.129 4.578 -0.449 1
1 588 . 7 1 1 A 61 61 THR CA C 61 61.659 61.250 0.409 1
1 589 . 7 1 1 A 61 61 THR CB C 61 68.477 68.957 -0.480 1
1 591 . 7 1 1 A 61 61 THR N N 61 118.086 118.952 -0.866 1
1 592 . 7 1 1 A 62 62 ARG H H 62 7.906 7.512 0.394 1
1 593 . 7 1 1 A 62 62 ARG HA H 62 4.754 5.449 -0.695 1
1 600 . 7 1 1 A 62 62 ARG CA C 62 56.040 54.643 1.397 1
1 601 . 7 1 1 A 62 62 ARG CB C 62 31.775 33.434 -1.659 1
1 604 . 7 1 1 A 62 62 ARG N N 62 121.911 122.094 -0.183 1
1 605 . 7 1 1 A 63 63 HIS H H 63 9.212 9.356 -0.144 1
1 606 . 7 1 1 A 63 63 HIS HA H 63 5.364 5.377 -0.013 1
1 611 . 7 1 1 A 63 63 HIS CA C 63 55.066 54.501 0.565 1
1 612 . 7 1 1 A 63 63 HIS CB C 63 33.860 32.718 1.142 1
1 614 . 7 1 1 A 63 63 HIS N N 63 127.111 125.069 2.042 1
1 615 . 7 1 1 A 64 64 THR H H 64 9.261 9.474 -0.213 1
1 616 . 7 1 1 A 64 64 THR HA H 64 5.510 5.187 0.323 1
1 621 . 7 1 1 A 64 64 THR CA C 64 60.691 62.121 -1.430 1
1 622 . 7 1 1 A 64 64 THR CB C 64 71.788 69.872 1.916 1
1 624 . 7 1 1 A 64 64 THR N N 64 117.400 118.765 -1.365 1
1 625 . 7 1 1 A 65 65 LEU H H 65 8.456 8.817 -0.361 1
1 626 . 7 1 1 A 65 65 LEU HA H 65 4.642 4.709 -0.067 1
1 636 . 7 1 1 A 65 65 LEU CA C 65 52.783 53.514 -0.731 1
1 637 . 7 1 1 A 65 65 LEU CB C 65 41.350 42.785 -1.435 1
1 641 . 7 1 1 A 65 65 LEU N N 65 129.806 129.838 -0.032 1
1 642 . 7 1 1 A 66 66 THR H H 66 9.381 9.087 0.294 1
1 643 . 7 1 1 A 66 66 THR HA H 66 4.975 4.836 0.139 1
1 648 . 7 1 1 A 66 66 THR CA C 66 61.072 62.035 -0.963 1
1 649 . 7 1 1 A 66 66 THR CB C 66 70.346 69.423 0.923 1
1 651 . 7 1 1 A 66 66 THR N N 66 123.110 124.020 -0.910 1
1 652 . 7 1 1 A 67 67 VAL H H 67 9.493 9.068 0.425 1
1 653 . 7 1 1 A 67 67 VAL HA H 67 4.317 4.596 -0.279 1
1 661 . 7 1 1 A 67 67 VAL CA C 67 61.300 60.159 1.141 1
1 662 . 7 1 1 A 67 67 VAL CB C 67 31.636 34.535 -2.899 1
1 665 . 7 1 1 A 67 67 VAL N N 67 128.451 126.112 2.339 1
1 666 . 7 1 1 A 68 68 ARG H H 68 8.500 8.793 -0.293 1
1 667 . 7 1 1 A 68 68 ARG HA H 68 3.839 4.321 -0.482 1
1 674 . 7 1 1 A 68 68 ARG CA C 68 57.379 56.547 0.832 1
1 675 . 7 1 1 A 68 68 ARG CB C 68 30.481 30.406 0.075 1
1 678 . 7 1 1 A 68 68 ARG N N 68 124.308 128.634 -4.326 1
1 679 . 7 1 1 A 69 69 GLU H H 69 8.545 7.939 0.606 1
1 680 . 7 1 1 A 69 69 GLU HA H 69 3.147 4.101 -0.954 1
1 685 . 7 1 1 A 69 69 GLU CA C 69 55.733 58.019 -2.286 1
1 686 . 7 1 1 A 69 69 GLU CB C 69 28.793 29.662 -0.869 1
1 688 . 7 1 1 A 69 69 GLU N N 69 118.177 119.380 -1.203 1
1 689 . 7 1 1 A 70 70 VAL H H 70 7.771 7.335 0.436 1
1 690 . 7 1 1 A 70 70 VAL HA H 70 3.810 3.998 -0.188 1
1 698 . 7 1 1 A 70 70 VAL CA C 70 63.848 62.676 1.172 1
1 699 . 7 1 1 A 70 70 VAL CB C 70 31.885 32.304 -0.419 1
1 702 . 7 1 1 A 70 70 VAL N N 70 117.579 119.366 -1.787 1
1 703 . 7 1 1 A 71 71 GLY H H 71 9.389 8.436 0.953 1
1 704 . 7 1 1 A 71 71 GLY HA2 H 71 4.470 4.253 0.217 1
1 705 . 7 1 1 A 71 71 GLY HA3 H 71 3.895 4.254 -0.359 1
1 706 . 7 1 1 A 71 71 GLY CA C 71 43.915 45.270 -1.355 1
1 707 . 7 1 1 A 71 71 GLY N N 71 114.169 114.385 -0.216 1
1 708 . 7 1 1 A 72 72 PRO HA H 72 4.038 4.437 -0.399 1
1 715 . 7 1 1 A 72 72 PRO CA C 72 65.800 64.623 1.177 1
1 716 . 7 1 1 A 72 72 PRO CB C 72 31.553 31.797 -0.244 1
1 719 . 7 1 1 A 73 73 ALA H H 73 8.558 8.347 0.211 1
1 720 . 7 1 1 A 73 73 ALA HA H 73 4.186 4.303 -0.117 1
1 724 . 7 1 1 A 73 73 ALA CA C 73 53.826 53.531 0.295 1
1 725 . 7 1 1 A 73 73 ALA CB C 73 18.152 19.177 -1.025 1
1 726 . 7 1 1 A 73 73 ALA N N 73 118.164 119.905 -1.741 1
1 727 . 7 1 1 A 74 74 ASP H H 74 8.381 7.770 0.611 1
1 728 . 7 1 1 A 74 74 ASP HA H 74 4.586 4.704 -0.118 1
1 731 . 7 1 1 A 74 74 ASP CA C 74 55.178 54.632 0.546 1
1 732 . 7 1 1 A 74 74 ASP CB C 74 42.280 41.361 0.919 1
1 733 . 7 1 1 A 74 74 ASP N N 74 113.856 116.575 -2.719 1
1 734 . 7 1 1 A 75 75 GLN H H 75 7.409 7.846 -0.437 1
1 735 . 7 1 1 A 75 75 GLN HA H 75 4.252 4.651 -0.399 1
1 740 . 7 1 1 A 75 75 GLN CA C 75 56.682 54.968 1.714 1
1 741 . 7 1 1 A 75 75 GLN CB C 75 30.337 27.085 3.252 1
1 743 . 7 1 1 A 75 75 GLN N N 75 119.456 120.583 -1.127 1
1 744 . 7 1 1 A 76 76 GLY H H 76 8.984 8.474 0.510 1
1 745 . 7 1 1 A 76 76 GLY HA2 H 76 4.610 4.052 0.558 1
1 746 . 7 1 1 A 76 76 GLY HA3 H 76 3.863 4.068 -0.205 1
1 747 . 7 1 1 A 76 76 GLY CA C 76 44.149 44.826 -0.677 1
1 748 . 7 1 1 A 76 76 GLY N N 76 112.000 111.972 0.028 1
1 749 . 7 1 1 A 77 77 SER H H 77 8.106 8.418 -0.312 1
1 750 . 7 1 1 A 77 77 SER HA H 77 5.009 5.165 -0.156 1
1 753 . 7 1 1 A 77 77 SER CA C 77 58.199 56.547 1.652 1
1 754 . 7 1 1 A 77 77 SER CB C 77 64.099 65.242 -1.143 1
1 755 . 7 1 1 A 77 77 SER N N 77 114.587 117.218 -2.631 1
1 756 . 7 1 1 A 78 78 TYR H H 78 9.056 8.963 0.093 1
1 757 . 7 1 1 A 78 78 TYR HA H 78 4.530 4.777 -0.247 1
1 764 . 7 1 1 A 78 78 TYR CA C 78 56.450 56.440 0.010 1
1 765 . 7 1 1 A 78 78 TYR CB C 78 43.805 38.806 4.999 1
1 770 . 7 1 1 A 78 78 TYR N N 78 127.751 126.841 0.910 1
1 771 . 7 1 1 A 79 79 ALA H H 79 8.558 8.741 -0.183 1
1 772 . 7 1 1 A 79 79 ALA HA H 79 5.233 5.326 -0.093 1
1 776 . 7 1 1 A 79 79 ALA CA C 79 50.806 49.810 0.996 1
1 777 . 7 1 1 A 79 79 ALA CB C 79 23.130 22.519 0.611 1
1 778 . 7 1 1 A 79 79 ALA N N 79 118.647 126.080 -7.433 1
1 779 . 7 1 1 A 80 80 VAL H H 80 8.717 8.802 -0.085 1
1 780 . 7 1 1 A 80 80 VAL HA H 80 4.905 4.582 0.323 1
1 788 . 7 1 1 A 80 80 VAL CA C 80 58.760 60.171 -1.411 1
1 789 . 7 1 1 A 80 80 VAL CB C 80 35.087 34.648 0.439 1
1 792 . 7 1 1 A 80 80 VAL N N 80 118.846 118.090 0.756 1
1 793 . 7 1 1 A 81 81 ILE H H 81 8.739 8.842 -0.103 1
1 794 . 7 1 1 A 81 81 ILE HA H 81 5.012 5.141 -0.129 1
1 804 . 7 1 1 A 81 81 ILE CA C 81 59.751 59.689 0.062 1
1 805 . 7 1 1 A 81 81 ILE CB C 81 42.030 40.939 1.091 1
1 809 . 7 1 1 A 81 81 ILE N N 81 126.232 130.147 -3.915 1
1 810 . 7 1 1 A 82 82 ALA H H 82 8.388 8.627 -0.239 1
1 811 . 7 1 1 A 82 82 ALA HA H 82 4.449 4.521 -0.072 1
1 815 . 7 1 1 A 82 82 ALA CA C 82 50.839 50.934 -0.095 1
1 816 . 7 1 1 A 82 82 ALA CB C 82 21.160 20.218 0.942 1
1 817 . 7 1 1 A 82 82 ALA N N 82 128.273 127.671 0.602 1
1 818 . 7 1 1 A 83 83 GLY H H 83 8.841 8.989 -0.148 1
1 819 . 7 1 1 A 83 83 GLY HA2 H 83 3.815 3.838 -0.023 1
1 820 . 7 1 1 A 83 83 GLY HA3 H 83 3.509 3.843 -0.334 1
1 821 . 7 1 1 A 83 83 GLY CA C 83 46.917 47.310 -0.393 1
1 822 . 7 1 1 A 83 83 GLY N N 83 113.065 115.522 -2.457 1
1 823 . 7 1 1 A 85 85 SER H H 85 8.423 7.872 0.551 1
1 824 . 7 1 1 A 85 85 SER HA H 85 4.659 4.410 0.249 1
1 827 . 7 1 1 A 85 85 SER CA C 85 58.485 58.657 -0.172 1
1 828 . 7 1 1 A 85 85 SER CB C 85 64.397 64.051 0.346 1
1 829 . 7 1 1 A 85 85 SER N N 85 119.428 117.020 2.408 1
1 830 . 7 1 1 A 86 86 LYS H H 86 8.490 8.671 -0.181 1
1 831 . 7 1 1 A 86 86 LYS HA H 86 5.243 5.009 0.234 1
1 840 . 7 1 1 A 86 86 LYS CA C 86 54.822 54.661 0.161 1
1 841 . 7 1 1 A 86 86 LYS CB C 86 35.340 35.147 0.193 1
1 845 . 7 1 1 A 86 86 LYS N N 86 125.678 126.814 -1.136 1
1 846 . 7 1 1 A 87 87 VAL H H 87 8.863 8.770 0.093 1
1 847 . 7 1 1 A 87 87 VAL HA H 87 4.300 4.762 -0.462 1
1 855 . 7 1 1 A 87 87 VAL CA C 87 60.870 60.482 0.388 1
1 856 . 7 1 1 A 87 87 VAL CB C 87 34.228 34.489 -0.261 1
1 859 . 7 1 1 A 87 87 VAL N N 87 126.631 126.085 0.546 1
1 860 . 7 1 1 A 88 88 LYS H H 88 8.475 8.619 -0.144 1
1 861 . 7 1 1 A 88 88 LYS HA H 88 5.065 4.940 0.125 1
1 870 . 7 1 1 A 88 88 LYS CA C 88 55.124 54.768 0.356 1
1 871 . 7 1 1 A 88 88 LYS CB C 88 34.479 36.319 -1.840 1
1 874 . 7 1 1 A 88 88 LYS N N 88 125.592 125.216 0.376 1
1 875 . 7 1 1 A 89 89 PHE H H 89 8.152 8.299 -0.147 1
1 876 . 7 1 1 A 89 89 PHE HA H 89 4.601 5.722 -1.121 1
1 884 . 7 1 1 A 89 89 PHE CA C 89 56.311 54.867 1.444 1
1 885 . 7 1 1 A 89 89 PHE CB C 89 39.383 42.352 -2.969 1
1 888 . 7 1 1 A 89 89 PHE N N 89 119.005 119.330 -0.325 1
1 889 . 7 1 1 A 90 90 ASP H H 90 9.006 8.974 0.032 1
1 890 . 7 1 1 A 90 90 ASP HA H 90 5.565 5.226 0.339 1
1 893 . 7 1 1 A 90 90 ASP CA C 90 53.532 53.121 0.411 1
1 894 . 7 1 1 A 90 90 ASP CB C 90 45.151 43.276 1.875 1
1 895 . 7 1 1 A 90 90 ASP N N 90 118.742 121.662 -2.920 1
1 896 . 7 1 1 A 91 91 LEU H H 91 8.733 9.120 -0.387 1
1 897 . 7 1 1 A 91 91 LEU HA H 91 5.137 5.232 -0.095 1
1 907 . 7 1 1 A 91 91 LEU CA C 91 54.171 53.711 0.460 1
1 908 . 7 1 1 A 91 91 LEU CB C 91 45.625 44.648 0.977 1
1 911 . 7 1 1 A 91 91 LEU N N 91 121.344 127.622 -6.278 1
1 912 . 7 1 1 A 92 92 LYS H H 92 8.892 8.748 0.144 1
1 913 . 7 1 1 A 92 92 LYS HA H 92 4.733 4.659 0.074 1
1 922 . 7 1 1 A 92 92 LYS CA C 92 54.910 56.251 -1.341 1
1 923 . 7 1 1 A 92 92 LYS CB C 92 35.261 33.524 1.737 1
1 927 . 7 1 1 A 92 92 LYS N N 92 128.486 127.153 1.333 1
1 928 . 7 1 1 A 93 93 VAL H H 93 8.563 8.561 0.002 1
1 929 . 7 1 1 A 93 93 VAL HA H 93 4.818 5.245 -0.427 1
1 937 . 7 1 1 A 93 93 VAL CA C 93 60.568 61.054 -0.486 1
1 938 . 7 1 1 A 93 93 VAL CB C 93 33.024 34.491 -1.467 1
1 941 . 7 1 1 A 93 93 VAL N N 93 124.459 122.385 2.074 1
1 942 . 7 1 1 A 94 94 ILE H H 94 8.395 8.838 -0.443 1
1 943 . 7 1 1 A 94 94 ILE HA H 94 4.162 4.649 -0.487 1
1 953 . 7 1 1 A 94 94 ILE CA C 94 60.238 59.898 0.340 1
1 954 . 7 1 1 A 94 94 ILE CB C 94 39.279 40.091 -0.812 1
1 958 . 7 1 1 A 94 94 ILE N N 94 126.433 127.180 -0.747 1
1 1 . 8 1 1 A 3 3 PRO HA H 3 4.235 4.586 -0.351 1
1 8 . 8 1 1 A 3 3 PRO CA C 3 63.375 62.584 0.791 1
1 9 . 8 1 1 A 3 3 PRO CB C 3 31.835 32.669 -0.834 1
1 11 . 8 1 1 A 4 4 GLY H H 4 8.439 8.122 0.317 1
1 12 . 8 1 1 A 4 4 GLY HA2 H 4 3.854 3.867 -0.013 1
1 13 . 8 1 1 A 4 4 GLY HA3 H 4 3.819 3.867 -0.048 1
1 14 . 8 1 1 A 4 4 GLY CA C 4 45.043 46.746 -1.703 1
1 15 . 8 1 1 A 4 4 GLY N N 4 108.904 106.920 1.984 1
1 16 . 8 1 1 A 5 5 LYS H H 5 7.974 7.542 0.432 1
1 17 . 8 1 1 A 5 5 LYS HA H 5 4.265 4.837 -0.572 1
1 26 . 8 1 1 A 5 5 LYS CA C 5 55.709 54.564 1.145 1
1 27 . 8 1 1 A 5 5 LYS CB C 5 33.081 36.340 -3.259 1
1 31 . 8 1 1 A 5 5 LYS N N 5 120.616 118.907 1.709 1
1 32 . 8 1 1 A 6 6 LYS H H 6 8.291 8.557 -0.266 1
1 33 . 8 1 1 A 6 6 LYS HA H 6 4.505 4.662 -0.157 1
1 36 . 8 1 1 A 6 6 LYS CA C 6 54.105 53.942 0.163 1
1 37 . 8 1 1 A 6 6 LYS CB C 6 32.381 31.831 0.550 1
1 38 . 8 1 1 A 6 6 LYS N N 6 124.267 122.618 1.649 1
1 39 . 8 1 1 A 7 7 PRO HA H 7 4.371 4.614 -0.243 1
1 46 . 8 1 1 A 7 7 PRO CA C 7 62.738 62.258 0.480 1
1 47 . 8 1 1 A 7 7 PRO CB C 7 31.942 33.028 -1.086 1
1 50 . 8 1 1 A 8 8 VAL H H 8 8.244 8.341 -0.097 1
1 51 . 8 1 1 A 8 8 VAL HA H 8 4.012 3.974 0.038 1
1 59 . 8 1 1 A 8 8 VAL CA C 8 61.883 61.879 0.004 1
1 60 . 8 1 1 A 8 8 VAL CB C 8 32.743 31.686 1.057 1
1 63 . 8 1 1 A 8 8 VAL N N 8 120.593 118.605 1.988 1
1 64 . 8 1 1 A 9 9 SER H H 9 8.296 8.892 -0.596 1
1 65 . 8 1 1 A 9 9 SER HA H 9 4.315 4.514 -0.199 1
1 68 . 8 1 1 A 9 9 SER CA C 9 57.429 58.872 -1.443 1
1 69 . 8 1 1 A 9 9 SER CB C 9 63.804 63.696 0.108 1
1 70 . 8 1 1 A 9 9 SER N N 9 118.557 123.430 -4.873 1
1 71 . 8 1 1 A 10 10 ALA H H 10 8.214 8.813 -0.599 1
1 72 . 8 1 1 A 10 10 ALA HA H 10 4.069 4.582 -0.513 1
1 76 . 8 1 1 A 10 10 ALA CA C 10 53.042 51.335 1.707 1
1 77 . 8 1 1 A 10 10 ALA CB C 10 19.919 19.925 -0.006 1
1 78 . 8 1 1 A 10 10 ALA N N 10 125.277 127.402 -2.125 1
1 79 . 8 1 1 A 11 11 PHE H H 11 8.238 7.512 0.726 1
1 80 . 8 1 1 A 11 11 PHE HA H 11 4.816 4.946 -0.130 1
1 88 . 8 1 1 A 11 11 PHE CA C 11 57.727 56.290 1.437 1
1 89 . 8 1 1 A 11 11 PHE CB C 11 39.854 38.737 1.117 1
1 94 . 8 1 1 A 11 11 PHE N N 11 114.771 118.086 -3.315 1
1 95 . 8 1 1 A 12 12 SER H H 12 8.809 8.625 0.184 1
1 96 . 8 1 1 A 12 12 SER HA H 12 4.395 4.309 0.086 1
1 99 . 8 1 1 A 12 12 SER CA C 12 58.641 61.594 -2.953 1
1 100 . 8 1 1 A 12 12 SER CB C 12 63.274 63.092 0.182 1
1 101 . 8 1 1 A 12 12 SER N N 12 119.399 118.329 1.070 1
1 102 . 8 1 1 A 13 13 LYS H H 13 7.884 7.895 -0.011 1
1 103 . 8 1 1 A 13 13 LYS HA H 13 4.575 4.866 -0.291 1
1 112 . 8 1 1 A 13 13 LYS CA C 13 56.362 55.109 1.253 1
1 113 . 8 1 1 A 13 13 LYS CB C 13 35.664 35.274 0.390 1
1 114 . 8 1 1 A 13 13 LYS N N 13 121.565 120.756 0.809 1
1 115 . 8 1 1 A 14 14 LYS H H 14 8.744 8.581 0.163 1
1 116 . 8 1 1 A 14 14 LYS HA H 14 4.313 4.494 -0.181 1
1 123 . 8 1 1 A 14 14 LYS CA C 14 53.374 54.355 -0.981 1
1 124 . 8 1 1 A 14 14 LYS CB C 14 32.741 33.023 -0.282 1
1 127 . 8 1 1 A 14 14 LYS N N 14 125.096 127.814 -2.718 1
1 128 . 8 1 1 A 15 15 PRO HA H 15 4.693 4.928 -0.235 1
1 135 . 8 1 1 A 15 15 PRO CA C 15 62.248 62.178 0.070 1
1 136 . 8 1 1 A 15 15 PRO CB C 15 31.343 29.330 2.013 1
1 139 . 8 1 1 A 16 16 ARG H H 16 8.118 7.789 0.329 1
1 140 . 8 1 1 A 16 16 ARG HA H 16 4.592 4.370 0.222 1
1 147 . 8 1 1 A 16 16 ARG CA C 16 53.951 56.663 -2.712 1
1 148 . 8 1 1 A 16 16 ARG CB C 16 32.456 31.137 1.319 1
1 151 . 8 1 1 A 16 16 ARG N N 16 119.622 124.416 -4.794 1
1 152 . 8 1 1 A 17 17 SER H H 17 8.511 8.531 -0.020 1
1 153 . 8 1 1 A 17 17 SER HA H 17 5.281 4.826 0.455 1
1 156 . 8 1 1 A 17 17 SER CA C 17 59.888 58.096 1.792 1
1 157 . 8 1 1 A 17 17 SER CB C 17 63.405 64.797 -1.392 1
1 158 . 8 1 1 A 17 17 SER N N 17 117.935 115.747 2.188 1
1 159 . 8 1 1 A 18 18 VAL H H 18 8.389 8.809 -0.420 1
1 160 . 8 1 1 A 18 18 VAL HA H 18 4.660 4.826 -0.166 1
1 168 . 8 1 1 A 18 18 VAL CA C 18 60.004 59.735 0.269 1
1 169 . 8 1 1 A 18 18 VAL CB C 18 36.675 35.809 0.866 1
1 172 . 8 1 1 A 18 18 VAL N N 18 117.416 120.500 -3.084 1
1 173 . 8 1 1 A 19 19 GLU H H 19 8.190 8.711 -0.521 1
1 174 . 8 1 1 A 19 19 GLU HA H 19 5.351 5.505 -0.154 1
1 179 . 8 1 1 A 19 19 GLU CA C 19 54.138 54.844 -0.706 1
1 180 . 8 1 1 A 19 19 GLU CB C 19 31.658 32.446 -0.788 1
1 181 . 8 1 1 A 19 19 GLU N N 19 124.652 126.097 -1.445 1
1 182 . 8 1 1 A 20 20 VAL H H 20 8.616 8.675 -0.059 1
1 183 . 8 1 1 A 20 20 VAL HA H 20 4.491 4.719 -0.228 1
1 191 . 8 1 1 A 20 20 VAL CA C 20 59.013 59.438 -0.425 1
1 192 . 8 1 1 A 20 20 VAL CB C 20 36.048 35.539 0.509 1
1 195 . 8 1 1 A 20 20 VAL N N 20 120.245 118.853 1.392 1
1 196 . 8 1 1 A 21 21 ALA H H 21 8.375 8.659 -0.284 1
1 197 . 8 1 1 A 21 21 ALA HA H 21 4.364 4.581 -0.217 1
1 201 . 8 1 1 A 21 21 ALA CA C 21 51.307 51.951 -0.644 1
1 202 . 8 1 1 A 21 21 ALA CB C 21 18.726 19.065 -0.339 1
1 203 . 8 1 1 A 21 21 ALA N N 21 126.173 126.071 0.102 1
1 204 . 8 1 1 A 22 22 ALA H H 22 8.287 8.172 0.115 1
1 205 . 8 1 1 A 22 22 ALA HA H 22 3.899 3.989 -0.090 1
1 209 . 8 1 1 A 22 22 ALA CA C 22 53.104 54.011 -0.907 1
1 210 . 8 1 1 A 22 22 ALA CB C 22 17.631 18.461 -0.830 1
1 211 . 8 1 1 A 22 22 ALA N N 22 123.045 123.323 -0.278 1
1 212 . 8 1 1 A 23 23 GLY H H 23 9.862 8.835 1.027 1
1 213 . 8 1 1 A 23 23 GLY HA2 H 23 3.255 3.987 -0.732 1
1 214 . 8 1 1 A 23 23 GLY HA3 H 23 4.371 3.989 0.382 1
1 215 . 8 1 1 A 23 23 GLY CA C 23 44.741 45.035 -0.294 1
1 216 . 8 1 1 A 23 23 GLY N N 23 112.047 111.378 0.669 1
1 217 . 8 1 1 A 24 24 SER H H 24 7.944 7.940 0.004 1
1 218 . 8 1 1 A 24 24 SER HA H 24 4.750 4.518 0.232 1
1 221 . 8 1 1 A 24 24 SER CA C 24 57.787 56.279 1.508 1
1 222 . 8 1 1 A 24 24 SER CB C 24 63.296 63.751 -0.455 1
1 223 . 8 1 1 A 24 24 SER N N 24 119.405 118.037 1.368 1
1 224 . 8 1 1 A 25 25 PRO HA H 25 5.142 4.657 0.485 1
1 231 . 8 1 1 A 25 25 PRO CA C 25 61.743 62.698 -0.955 1
1 232 . 8 1 1 A 25 25 PRO CB C 25 31.751 32.530 -0.779 1
1 235 . 8 1 1 A 26 26 ALA H H 26 8.688 8.301 0.387 1
1 236 . 8 1 1 A 26 26 ALA HA H 26 4.396 4.857 -0.461 1
1 240 . 8 1 1 A 26 26 ALA CA C 26 49.972 50.647 -0.675 1
1 241 . 8 1 1 A 26 26 ALA CB C 26 22.877 21.995 0.882 1
1 242 . 8 1 1 A 26 26 ALA N N 26 123.024 123.393 -0.369 1
1 243 . 8 1 1 A 27 27 VAL H H 27 7.751 8.402 -0.651 1
1 244 . 8 1 1 A 27 27 VAL HA H 27 4.522 5.030 -0.508 1
1 252 . 8 1 1 A 27 27 VAL CA C 27 60.899 60.538 0.361 1
1 253 . 8 1 1 A 27 27 VAL CB C 27 33.331 35.153 -1.822 1
1 255 . 8 1 1 A 27 27 VAL N N 27 121.938 122.489 -0.551 1
1 256 . 8 1 1 A 28 28 PHE H H 28 9.196 9.213 -0.017 1
1 257 . 8 1 1 A 28 28 PHE HA H 28 4.561 5.041 -0.480 1
1 265 . 8 1 1 A 28 28 PHE CA C 28 56.051 56.178 -0.127 1
1 266 . 8 1 1 A 28 28 PHE CB C 28 42.218 42.245 -0.027 1
1 271 . 8 1 1 A 28 28 PHE N N 28 126.818 125.687 1.131 1
1 272 . 8 1 1 A 29 29 GLU H H 29 8.583 9.089 -0.506 1
1 273 . 8 1 1 A 29 29 GLU HA H 29 5.405 4.953 0.452 1
1 278 . 8 1 1 A 29 29 GLU CA C 29 54.508 56.033 -1.525 1
1 279 . 8 1 1 A 29 29 GLU CB C 29 33.692 31.169 2.523 1
1 280 . 8 1 1 A 29 29 GLU N N 29 120.733 123.990 -3.257 1
1 281 . 8 1 1 A 30 30 ALA H H 30 9.484 9.393 0.091 1
1 282 . 8 1 1 A 30 30 ALA HA H 30 4.691 5.358 -0.667 1
1 286 . 8 1 1 A 30 30 ALA CA C 30 49.421 50.992 -1.571 1
1 287 . 8 1 1 A 30 30 ALA CB C 30 23.523 21.959 1.564 1
1 288 . 8 1 1 A 30 30 ALA N N 30 124.341 128.715 -4.374 1
1 289 . 8 1 1 A 31 31 GLU H H 31 9.001 9.315 -0.314 1
1 290 . 8 1 1 A 31 31 GLU HA H 31 6.016 5.150 0.866 1
1 295 . 8 1 1 A 31 31 GLU CA C 31 54.301 54.913 -0.612 1
1 296 . 8 1 1 A 31 31 GLU CB C 31 33.336 32.846 0.490 1
1 298 . 8 1 1 A 31 31 GLU N N 31 120.169 123.852 -3.683 1
1 299 . 8 1 1 A 32 32 THR H H 32 9.330 8.871 0.459 1
1 300 . 8 1 1 A 32 32 THR HA H 32 4.842 4.372 0.470 1
1 305 . 8 1 1 A 32 32 THR CA C 32 59.738 60.111 -0.373 1
1 306 . 8 1 1 A 32 32 THR CB C 32 69.791 71.266 -1.475 1
1 308 . 8 1 1 A 32 32 THR N N 32 115.538 114.771 0.767 1
1 309 . 8 1 1 A 33 33 GLU H H 33 7.950 8.795 -0.845 1
1 310 . 8 1 1 A 33 33 GLU HA H 33 3.944 4.471 -0.527 1
1 315 . 8 1 1 A 33 33 GLU CA C 33 58.563 57.414 1.149 1
1 316 . 8 1 1 A 33 33 GLU CB C 33 29.836 30.337 -0.501 1
1 318 . 8 1 1 A 33 33 GLU N N 33 119.723 121.625 -1.902 1
1 319 . 8 1 1 A 34 34 ARG H H 34 7.791 7.511 0.280 1
1 320 . 8 1 1 A 34 34 ARG HA H 34 4.490 4.790 -0.300 1
1 327 . 8 1 1 A 34 34 ARG CA C 34 53.485 55.318 -1.833 1
1 328 . 8 1 1 A 34 34 ARG CB C 34 32.411 33.739 -1.328 1
1 331 . 8 1 1 A 34 34 ARG N N 34 113.251 119.951 -6.700 1
1 332 . 8 1 1 A 35 35 ALA H H 35 8.614 8.538 0.076 1
1 333 . 8 1 1 A 35 35 ALA HA H 35 4.050 4.650 -0.600 1
1 337 . 8 1 1 A 35 35 ALA CA C 35 51.762 51.495 0.267 1
1 338 . 8 1 1 A 35 35 ALA N N 35 125.041 126.153 -1.112 1
1 339 . 8 1 1 A 36 36 GLY H H 36 8.647 8.913 -0.266 1
1 340 . 8 1 1 A 36 36 GLY HA2 H 36 3.634 3.989 -0.355 1
1 341 . 8 1 1 A 36 36 GLY HA3 H 36 3.960 3.999 -0.039 1
1 342 . 8 1 1 A 36 36 GLY CA C 36 45.703 45.072 0.631 1
1 343 . 8 1 1 A 36 36 GLY N N 36 108.031 110.626 -2.595 1
1 344 . 8 1 1 A 37 37 VAL H H 37 7.077 7.826 -0.749 1
1 345 . 8 1 1 A 37 37 VAL HA H 37 3.869 4.167 -0.298 1
1 353 . 8 1 1 A 37 37 VAL CA C 37 61.469 61.844 -0.375 1
1 354 . 8 1 1 A 37 37 VAL CB C 37 32.942 32.216 0.726 1
1 357 . 8 1 1 A 37 37 VAL N N 37 119.457 119.353 0.104 1
1 358 . 8 1 1 A 38 38 LYS H H 38 8.467 8.647 -0.180 1
1 359 . 8 1 1 A 38 38 LYS HA H 38 4.267 4.614 -0.347 1
1 366 . 8 1 1 A 38 38 LYS CA C 38 55.873 55.952 -0.079 1
1 367 . 8 1 1 A 38 38 LYS CB C 38 30.881 33.581 -2.700 1
1 370 . 8 1 1 A 38 38 LYS N N 38 128.214 125.403 2.811 1
1 371 . 8 1 1 A 39 39 VAL H H 39 7.993 8.384 -0.391 1
1 372 . 8 1 1 A 39 39 VAL HA H 39 4.537 4.280 0.257 1
1 380 . 8 1 1 A 39 39 VAL CA C 39 60.114 61.571 -1.457 1
1 381 . 8 1 1 A 39 39 VAL CB C 39 33.719 31.895 1.824 1
1 384 . 8 1 1 A 39 39 VAL N N 39 123.133 125.432 -2.299 1
1 385 . 8 1 1 A 40 40 ARG H H 40 8.507 8.715 -0.208 1
1 386 . 8 1 1 A 40 40 ARG HA H 40 4.503 4.916 -0.413 1
1 393 . 8 1 1 A 40 40 ARG CA C 40 54.098 55.294 -1.196 1
1 394 . 8 1 1 A 40 40 ARG CB C 40 33.701 31.515 2.186 1
1 397 . 8 1 1 A 40 40 ARG N N 40 124.492 128.208 -3.716 1
1 398 . 8 1 1 A 41 41 TRP H H 41 9.083 8.980 0.103 1
1 399 . 8 1 1 A 41 41 TRP HA H 41 5.311 5.372 -0.061 1
1 408 . 8 1 1 A 41 41 TRP CA C 41 55.134 55.794 -0.660 1
1 409 . 8 1 1 A 41 41 TRP CB C 41 31.370 32.521 -1.151 1
1 413 . 8 1 1 A 41 41 TRP N N 41 123.367 126.115 -2.748 1
1 415 . 8 1 1 A 42 42 GLN H H 42 9.532 9.298 0.234 1
1 416 . 8 1 1 A 42 42 GLN HA H 42 5.159 4.870 0.289 1
1 423 . 8 1 1 A 42 42 GLN CA C 42 54.445 54.419 0.026 1
1 424 . 8 1 1 A 42 42 GLN CB C 42 34.775 32.291 2.484 1
1 426 . 8 1 1 A 42 42 GLN N N 42 118.692 122.085 -3.393 1
1 427 . 8 1 1 A 43 43 ARG H H 43 8.209 8.813 -0.604 1
1 428 . 8 1 1 A 43 43 ARG HA H 43 4.039 4.322 -0.283 1
1 435 . 8 1 1 A 43 43 ARG CA C 43 54.790 53.901 0.889 1
1 436 . 8 1 1 A 43 43 ARG CB C 43 32.202 32.398 -0.196 1
1 439 . 8 1 1 A 43 43 ARG N N 43 119.579 126.184 -6.605 1
1 440 . 8 1 1 A 46 46 SER H H 46 7.513 7.804 -0.291 1
1 441 . 8 1 1 A 46 46 SER HA H 46 4.674 4.936 -0.262 1
1 444 . 8 1 1 A 46 46 SER CA C 46 56.766 57.407 -0.641 1
1 445 . 8 1 1 A 46 46 SER CB C 46 64.815 66.677 -1.862 1
1 446 . 8 1 1 A 46 46 SER N N 46 114.927 116.146 -1.219 1
1 447 . 8 1 1 A 47 47 ASP H H 47 8.698 8.425 0.273 1
1 448 . 8 1 1 A 47 47 ASP HA H 47 4.830 4.663 0.167 1
1 451 . 8 1 1 A 47 47 ASP CA C 47 55.177 53.549 1.628 1
1 452 . 8 1 1 A 47 47 ASP CB C 47 40.385 41.654 -1.269 1
1 453 . 8 1 1 A 47 47 ASP N N 47 125.553 122.210 3.343 1
1 454 . 8 1 1 A 48 48 ILE H H 48 8.781 8.484 0.297 1
1 455 . 8 1 1 A 48 48 ILE HA H 48 3.879 4.719 -0.840 1
1 465 . 8 1 1 A 48 48 ILE CA C 48 61.218 59.594 1.624 1
1 466 . 8 1 1 A 48 48 ILE CB C 48 39.345 40.600 -1.255 1
1 470 . 8 1 1 A 48 48 ILE N N 48 124.032 121.510 2.522 1
1 471 . 8 1 1 A 49 49 SER H H 49 7.963 8.597 -0.634 1
1 472 . 8 1 1 A 49 49 SER HA H 49 4.681 4.869 -0.188 1
1 475 . 8 1 1 A 49 49 SER CA C 49 56.256 57.287 -1.031 1
1 476 . 8 1 1 A 49 49 SER CB C 49 65.243 66.608 -1.365 1
1 477 . 8 1 1 A 49 49 SER N N 49 121.077 118.766 2.311 1
1 478 . 8 1 1 A 50 50 ALA H H 50 8.516 8.412 0.104 1
1 479 . 8 1 1 A 50 50 ALA HA H 50 4.302 4.563 -0.261 1
1 483 . 8 1 1 A 50 50 ALA CA C 50 53.052 52.170 0.882 1
1 484 . 8 1 1 A 50 50 ALA CB C 50 18.821 18.091 0.730 1
1 485 . 8 1 1 A 50 50 ALA N N 50 123.977 126.311 -2.334 1
1 486 . 8 1 1 A 51 51 SER H H 51 9.564 8.253 1.311 1
1 487 . 8 1 1 A 51 51 SER HA H 51 4.797 4.813 -0.016 1
1 490 . 8 1 1 A 51 51 SER CA C 51 56.946 57.429 -0.483 1
1 491 . 8 1 1 A 51 51 SER CB C 51 65.759 66.116 -0.357 1
1 492 . 8 1 1 A 51 51 SER N N 51 117.545 117.372 0.173 1
1 494 . 8 1 1 A 52 52 ASN CA C 52 55.930 54.117 1.813 1
1 495 . 8 1 1 A 52 52 ASN CB C 52 37.045 38.512 -1.467 1
1 496 . 8 1 1 A 53 53 LYS H H 53 8.053 8.825 -0.772 1
1 497 . 8 1 1 A 53 53 LYS HA H 53 3.995 4.015 -0.020 1
1 506 . 8 1 1 A 53 53 LYS CA C 53 53.699 57.767 -4.068 1
1 507 . 8 1 1 A 53 53 LYS CB C 53 33.687 32.030 1.657 1
1 511 . 8 1 1 A 53 53 LYS N N 53 121.638 122.537 -0.899 1
1 512 . 8 1 1 A 54 54 TYR H H 54 6.779 7.849 -1.070 1
1 513 . 8 1 1 A 54 54 TYR HA H 54 5.484 5.294 0.190 1
1 520 . 8 1 1 A 54 54 TYR CA C 54 55.016 56.539 -1.523 1
1 521 . 8 1 1 A 54 54 TYR CB C 54 40.147 43.522 -3.375 1
1 526 . 8 1 1 A 54 54 TYR N N 54 114.754 118.918 -4.164 1
1 527 . 8 1 1 A 55 55 GLY H H 55 9.666 8.212 1.454 1
1 528 . 8 1 1 A 55 55 GLY HA2 H 55 4.653 4.223 0.430 1
1 529 . 8 1 1 A 55 55 GLY HA3 H 55 3.343 4.235 -0.892 1
1 530 . 8 1 1 A 55 55 GLY CA C 55 44.332 45.634 -1.302 1
1 531 . 8 1 1 A 55 55 GLY N N 55 110.691 108.311 2.380 1
1 532 . 8 1 1 A 56 56 LEU H H 56 8.542 8.876 -0.334 1
1 533 . 8 1 1 A 56 56 LEU HA H 56 5.138 4.788 0.350 1
1 543 . 8 1 1 A 56 56 LEU CA C 56 54.213 53.879 0.334 1
1 544 . 8 1 1 A 56 56 LEU CB C 56 45.206 43.723 1.483 1
1 548 . 8 1 1 A 56 56 LEU N N 56 125.972 125.784 0.188 1
1 549 . 8 1 1 A 57 57 ALA H H 57 8.594 8.916 -0.322 1
1 550 . 8 1 1 A 57 57 ALA HA H 57 4.790 4.921 -0.131 1
1 554 . 8 1 1 A 57 57 ALA CA C 57 51.318 50.235 1.083 1
1 555 . 8 1 1 A 57 57 ALA CB C 57 22.564 19.966 2.598 1
1 556 . 8 1 1 A 57 57 ALA N N 57 124.534 127.583 -3.049 1
1 557 . 8 1 1 A 58 58 THR H H 58 8.602 8.968 -0.366 1
1 558 . 8 1 1 A 58 58 THR HA H 58 4.862 4.846 0.016 1
1 563 . 8 1 1 A 58 58 THR CA C 58 62.034 60.103 1.931 1
1 564 . 8 1 1 A 58 58 THR CB C 58 72.197 71.398 0.799 1
1 566 . 8 1 1 A 58 58 THR N N 58 119.396 119.099 0.297 1
1 567 . 8 1 1 A 59 59 GLU H H 59 8.883 8.591 0.292 1
1 568 . 8 1 1 A 59 59 GLU HA H 59 4.378 4.518 -0.140 1
1 573 . 8 1 1 A 59 59 GLU CA C 59 54.955 55.074 -0.119 1
1 574 . 8 1 1 A 59 59 GLU CB C 59 31.121 30.553 0.568 1
1 576 . 8 1 1 A 59 59 GLU N N 59 128.594 127.745 0.849 1
1 577 . 8 1 1 A 60 60 GLY H H 60 9.045 8.919 0.126 1
1 578 . 8 1 1 A 60 60 GLY HA2 H 60 4.081 3.862 0.219 1
1 579 . 8 1 1 A 60 60 GLY HA3 H 60 3.529 3.866 -0.337 1
1 580 . 8 1 1 A 60 60 GLY CA C 60 47.127 47.225 -0.098 1
1 581 . 8 1 1 A 60 60 GLY N N 60 117.047 115.974 1.073 1
1 582 . 8 1 1 A 61 61 THR H H 61 8.332 8.556 -0.224 1
1 583 . 8 1 1 A 61 61 THR HA H 61 4.129 4.567 -0.438 1
1 588 . 8 1 1 A 61 61 THR CA C 61 61.659 61.526 0.133 1
1 589 . 8 1 1 A 61 61 THR CB C 61 68.477 68.946 -0.469 1
1 591 . 8 1 1 A 61 61 THR N N 61 118.086 119.077 -0.991 1
1 592 . 8 1 1 A 62 62 ARG H H 62 7.906 7.699 0.207 1
1 593 . 8 1 1 A 62 62 ARG HA H 62 4.754 5.012 -0.258 1
1 600 . 8 1 1 A 62 62 ARG CA C 62 56.040 54.232 1.808 1
1 601 . 8 1 1 A 62 62 ARG CB C 62 31.775 34.130 -2.355 1
1 604 . 8 1 1 A 62 62 ARG N N 62 121.911 121.539 0.372 1
1 605 . 8 1 1 A 63 63 HIS H H 63 9.212 9.108 0.104 1
1 606 . 8 1 1 A 63 63 HIS HA H 63 5.364 5.134 0.230 1
1 611 . 8 1 1 A 63 63 HIS CA C 63 55.066 54.873 0.193 1
1 612 . 8 1 1 A 63 63 HIS CB C 63 33.860 32.791 1.069 1
1 614 . 8 1 1 A 63 63 HIS N N 63 127.111 119.240 7.871 1
1 615 . 8 1 1 A 64 64 THR H H 64 9.261 9.136 0.125 1
1 616 . 8 1 1 A 64 64 THR HA H 64 5.510 5.198 0.312 1
1 621 . 8 1 1 A 64 64 THR CA C 64 60.691 62.259 -1.568 1
1 622 . 8 1 1 A 64 64 THR CB C 64 71.788 69.635 2.153 1
1 624 . 8 1 1 A 64 64 THR N N 64 117.400 118.769 -1.369 1
1 625 . 8 1 1 A 65 65 LEU H H 65 8.456 8.803 -0.347 1
1 626 . 8 1 1 A 65 65 LEU HA H 65 4.642 4.720 -0.078 1
1 636 . 8 1 1 A 65 65 LEU CA C 65 52.783 53.259 -0.476 1
1 637 . 8 1 1 A 65 65 LEU CB C 65 41.350 42.718 -1.368 1
1 641 . 8 1 1 A 65 65 LEU N N 65 129.806 129.960 -0.154 1
1 642 . 8 1 1 A 66 66 THR H H 66 9.381 9.179 0.202 1
1 643 . 8 1 1 A 66 66 THR HA H 66 4.975 4.889 0.086 1
1 648 . 8 1 1 A 66 66 THR CA C 66 61.072 61.850 -0.778 1
1 649 . 8 1 1 A 66 66 THR CB C 66 70.346 70.542 -0.196 1
1 651 . 8 1 1 A 66 66 THR N N 66 123.110 124.243 -1.133 1
1 652 . 8 1 1 A 67 67 VAL H H 67 9.493 9.050 0.443 1
1 653 . 8 1 1 A 67 67 VAL HA H 67 4.317 4.471 -0.154 1
1 661 . 8 1 1 A 67 67 VAL CA C 67 61.300 61.615 -0.315 1
1 662 . 8 1 1 A 67 67 VAL CB C 67 31.636 34.339 -2.703 1
1 665 . 8 1 1 A 67 67 VAL N N 67 128.451 126.173 2.278 1
1 666 . 8 1 1 A 68 68 ARG H H 68 8.500 8.645 -0.145 1
1 667 . 8 1 1 A 68 68 ARG HA H 68 3.839 4.327 -0.488 1
1 674 . 8 1 1 A 68 68 ARG CA C 68 57.379 56.838 0.541 1
1 675 . 8 1 1 A 68 68 ARG CB C 68 30.481 30.471 0.010 1
1 678 . 8 1 1 A 68 68 ARG N N 68 124.308 126.972 -2.664 1
1 679 . 8 1 1 A 69 69 GLU H H 69 8.545 7.923 0.622 1
1 680 . 8 1 1 A 69 69 GLU HA H 69 3.147 4.094 -0.947 1
1 685 . 8 1 1 A 69 69 GLU CA C 69 55.733 57.973 -2.240 1
1 686 . 8 1 1 A 69 69 GLU CB C 69 28.793 29.708 -0.915 1
1 688 . 8 1 1 A 69 69 GLU N N 69 118.177 119.499 -1.322 1
1 689 . 8 1 1 A 70 70 VAL H H 70 7.771 7.341 0.430 1
1 690 . 8 1 1 A 70 70 VAL HA H 70 3.810 3.993 -0.183 1
1 698 . 8 1 1 A 70 70 VAL CA C 70 63.848 62.640 1.208 1
1 699 . 8 1 1 A 70 70 VAL CB C 70 31.885 32.392 -0.507 1
1 702 . 8 1 1 A 70 70 VAL N N 70 117.579 119.365 -1.786 1
1 703 . 8 1 1 A 71 71 GLY H H 71 9.389 8.402 0.987 1
1 704 . 8 1 1 A 71 71 GLY HA2 H 71 4.470 4.221 0.249 1
1 705 . 8 1 1 A 71 71 GLY HA3 H 71 3.895 4.224 -0.329 1
1 706 . 8 1 1 A 71 71 GLY CA C 71 43.915 45.146 -1.231 1
1 707 . 8 1 1 A 71 71 GLY N N 71 114.169 114.671 -0.502 1
1 708 . 8 1 1 A 72 72 PRO HA H 72 4.038 4.444 -0.406 1
1 715 . 8 1 1 A 72 72 PRO CA C 72 65.800 64.805 0.995 1
1 716 . 8 1 1 A 72 72 PRO CB C 72 31.553 31.808 -0.255 1
1 719 . 8 1 1 A 73 73 ALA H H 73 8.558 8.335 0.223 1
1 720 . 8 1 1 A 73 73 ALA HA H 73 4.186 4.300 -0.114 1
1 724 . 8 1 1 A 73 73 ALA CA C 73 53.826 53.521 0.305 1
1 725 . 8 1 1 A 73 73 ALA CB C 73 18.152 19.151 -0.999 1
1 726 . 8 1 1 A 73 73 ALA N N 73 118.164 119.699 -1.535 1
1 727 . 8 1 1 A 74 74 ASP H H 74 8.381 7.813 0.568 1
1 728 . 8 1 1 A 74 74 ASP HA H 74 4.586 4.745 -0.159 1
1 731 . 8 1 1 A 74 74 ASP CA C 74 55.178 54.067 1.111 1
1 732 . 8 1 1 A 74 74 ASP CB C 74 42.280 40.977 1.303 1
1 733 . 8 1 1 A 74 74 ASP N N 74 113.856 117.958 -4.102 1
1 734 . 8 1 1 A 75 75 GLN H H 75 7.409 7.824 -0.415 1
1 735 . 8 1 1 A 75 75 GLN HA H 75 4.252 4.410 -0.158 1
1 740 . 8 1 1 A 75 75 GLN CA C 75 56.682 55.078 1.604 1
1 741 . 8 1 1 A 75 75 GLN CB C 75 30.337 27.462 2.875 1
1 743 . 8 1 1 A 75 75 GLN N N 75 119.456 119.847 -0.391 1
1 744 . 8 1 1 A 76 76 GLY H H 76 8.984 8.453 0.531 1
1 745 . 8 1 1 A 76 76 GLY HA2 H 76 4.610 4.101 0.509 1
1 746 . 8 1 1 A 76 76 GLY HA3 H 76 3.863 4.119 -0.256 1
1 747 . 8 1 1 A 76 76 GLY CA C 76 44.149 45.407 -1.258 1
1 748 . 8 1 1 A 76 76 GLY N N 76 112.000 113.390 -1.390 1
1 749 . 8 1 1 A 77 77 SER H H 77 8.106 8.694 -0.588 1
1 750 . 8 1 1 A 77 77 SER HA H 77 5.009 5.459 -0.450 1
1 753 . 8 1 1 A 77 77 SER CA C 77 58.199 56.849 1.350 1
1 754 . 8 1 1 A 77 77 SER CB C 77 64.099 65.608 -1.509 1
1 755 . 8 1 1 A 77 77 SER N N 77 114.587 116.633 -2.046 1
1 756 . 8 1 1 A 78 78 TYR H H 78 9.056 9.084 -0.028 1
1 757 . 8 1 1 A 78 78 TYR HA H 78 4.530 4.858 -0.328 1
1 764 . 8 1 1 A 78 78 TYR CA C 78 56.450 56.119 0.331 1
1 765 . 8 1 1 A 78 78 TYR CB C 78 43.805 39.724 4.081 1
1 770 . 8 1 1 A 78 78 TYR N N 78 127.751 122.495 5.256 1
1 771 . 8 1 1 A 79 79 ALA H H 79 8.558 8.795 -0.237 1
1 772 . 8 1 1 A 79 79 ALA HA H 79 5.233 5.312 -0.079 1
1 776 . 8 1 1 A 79 79 ALA CA C 79 50.806 49.781 1.025 1
1 777 . 8 1 1 A 79 79 ALA CB C 79 23.130 22.613 0.517 1
1 778 . 8 1 1 A 79 79 ALA N N 79 118.647 125.301 -6.654 1
1 779 . 8 1 1 A 80 80 VAL H H 80 8.717 8.551 0.166 1
1 780 . 8 1 1 A 80 80 VAL HA H 80 4.905 4.508 0.397 1
1 788 . 8 1 1 A 80 80 VAL CA C 80 58.760 60.067 -1.307 1
1 789 . 8 1 1 A 80 80 VAL CB C 80 35.087 34.556 0.531 1
1 792 . 8 1 1 A 80 80 VAL N N 80 118.846 118.067 0.779 1
1 793 . 8 1 1 A 81 81 ILE H H 81 8.739 8.962 -0.223 1
1 794 . 8 1 1 A 81 81 ILE HA H 81 5.012 5.179 -0.167 1
1 804 . 8 1 1 A 81 81 ILE CA C 81 59.751 59.679 0.072 1
1 805 . 8 1 1 A 81 81 ILE CB C 81 42.030 40.562 1.468 1
1 809 . 8 1 1 A 81 81 ILE N N 81 126.232 129.481 -3.249 1
1 810 . 8 1 1 A 82 82 ALA H H 82 8.388 8.638 -0.250 1
1 811 . 8 1 1 A 82 82 ALA HA H 82 4.449 4.454 -0.005 1
1 815 . 8 1 1 A 82 82 ALA CA C 82 50.839 50.727 0.112 1
1 816 . 8 1 1 A 82 82 ALA CB C 82 21.160 20.020 1.140 1
1 817 . 8 1 1 A 82 82 ALA N N 82 128.273 128.002 0.271 1
1 818 . 8 1 1 A 83 83 GLY H H 83 8.841 8.957 -0.116 1
1 819 . 8 1 1 A 83 83 GLY HA2 H 83 3.815 3.826 -0.011 1
1 820 . 8 1 1 A 83 83 GLY HA3 H 83 3.509 3.838 -0.329 1
1 821 . 8 1 1 A 83 83 GLY CA C 83 46.917 47.255 -0.338 1
1 822 . 8 1 1 A 83 83 GLY N N 83 113.065 115.525 -2.460 1
1 823 . 8 1 1 A 85 85 SER H H 85 8.423 7.853 0.570 1
1 824 . 8 1 1 A 85 85 SER HA H 85 4.659 4.384 0.275 1
1 827 . 8 1 1 A 85 85 SER CA C 85 58.485 58.775 -0.290 1
1 828 . 8 1 1 A 85 85 SER CB C 85 64.397 63.894 0.503 1
1 829 . 8 1 1 A 85 85 SER N N 85 119.428 116.720 2.708 1
1 830 . 8 1 1 A 86 86 LYS H H 86 8.490 8.822 -0.332 1
1 831 . 8 1 1 A 86 86 LYS HA H 86 5.243 5.078 0.165 1
1 840 . 8 1 1 A 86 86 LYS CA C 86 54.822 54.718 0.104 1
1 841 . 8 1 1 A 86 86 LYS CB C 86 35.340 35.658 -0.318 1
1 845 . 8 1 1 A 86 86 LYS N N 86 125.678 127.298 -1.620 1
1 846 . 8 1 1 A 87 87 VAL H H 87 8.863 8.407 0.456 1
1 847 . 8 1 1 A 87 87 VAL HA H 87 4.300 4.804 -0.504 1
1 855 . 8 1 1 A 87 87 VAL CA C 87 60.870 59.247 1.623 1
1 856 . 8 1 1 A 87 87 VAL CB C 87 34.228 35.331 -1.103 1
1 859 . 8 1 1 A 87 87 VAL N N 87 126.631 124.959 1.672 1
1 860 . 8 1 1 A 88 88 LYS H H 88 8.475 8.921 -0.446 1
1 861 . 8 1 1 A 88 88 LYS HA H 88 5.065 4.919 0.146 1
1 870 . 8 1 1 A 88 88 LYS CA C 88 55.124 54.348 0.776 1
1 871 . 8 1 1 A 88 88 LYS CB C 88 34.479 36.262 -1.783 1
1 874 . 8 1 1 A 88 88 LYS N N 88 125.592 125.483 0.109 1
1 875 . 8 1 1 A 89 89 PHE H H 89 8.152 8.146 0.006 1
1 876 . 8 1 1 A 89 89 PHE HA H 89 4.601 5.655 -1.054 1
1 884 . 8 1 1 A 89 89 PHE CA C 89 56.311 54.985 1.326 1
1 885 . 8 1 1 A 89 89 PHE CB C 89 39.383 42.093 -2.710 1
1 888 . 8 1 1 A 89 89 PHE N N 89 119.005 117.192 1.813 1
1 889 . 8 1 1 A 90 90 ASP H H 90 9.006 8.983 0.023 1
1 890 . 8 1 1 A 90 90 ASP HA H 90 5.565 5.323 0.242 1
1 893 . 8 1 1 A 90 90 ASP CA C 90 53.532 53.176 0.356 1
1 894 . 8 1 1 A 90 90 ASP CB C 90 45.151 43.282 1.869 1
1 895 . 8 1 1 A 90 90 ASP N N 90 118.742 121.514 -2.772 1
1 896 . 8 1 1 A 91 91 LEU H H 91 8.733 9.137 -0.404 1
1 897 . 8 1 1 A 91 91 LEU HA H 91 5.137 5.256 -0.119 1
1 907 . 8 1 1 A 91 91 LEU CA C 91 54.171 53.734 0.437 1
1 908 . 8 1 1 A 91 91 LEU CB C 91 45.625 44.949 0.676 1
1 911 . 8 1 1 A 91 91 LEU N N 91 121.344 127.661 -6.317 1
1 912 . 8 1 1 A 92 92 LYS H H 92 8.892 8.657 0.235 1
1 913 . 8 1 1 A 92 92 LYS HA H 92 4.733 4.666 0.067 1
1 922 . 8 1 1 A 92 92 LYS CA C 92 54.910 56.232 -1.322 1
1 923 . 8 1 1 A 92 92 LYS CB C 92 35.261 33.803 1.458 1
1 927 . 8 1 1 A 92 92 LYS N N 92 128.486 127.124 1.362 1
1 928 . 8 1 1 A 93 93 VAL H H 93 8.563 8.523 0.040 1
1 929 . 8 1 1 A 93 93 VAL HA H 93 4.818 5.201 -0.383 1
1 937 . 8 1 1 A 93 93 VAL CA C 93 60.568 61.052 -0.484 1
1 938 . 8 1 1 A 93 93 VAL CB C 93 33.024 34.761 -1.737 1
1 941 . 8 1 1 A 93 93 VAL N N 93 124.459 121.444 3.015 1
1 942 . 8 1 1 A 94 94 ILE H H 94 8.395 8.816 -0.421 1
1 943 . 8 1 1 A 94 94 ILE HA H 94 4.162 4.688 -0.526 1
1 953 . 8 1 1 A 94 94 ILE CA C 94 60.238 59.772 0.466 1
1 954 . 8 1 1 A 94 94 ILE CB C 94 39.279 40.152 -0.873 1
1 958 . 8 1 1 A 94 94 ILE N N 94 126.433 126.940 -0.507 1
1 1 . 9 1 1 A 3 3 PRO HA H 3 4.235 4.617 -0.382 1
1 8 . 9 1 1 A 3 3 PRO CA C 3 63.375 62.688 0.687 1
1 9 . 9 1 1 A 3 3 PRO CB C 3 31.835 32.590 -0.755 1
1 11 . 9 1 1 A 4 4 GLY H H 4 8.439 8.271 0.168 1
1 12 . 9 1 1 A 4 4 GLY HA2 H 4 3.854 3.853 0.001 1
1 13 . 9 1 1 A 4 4 GLY HA3 H 4 3.819 3.853 -0.034 1
1 14 . 9 1 1 A 4 4 GLY CA C 4 45.043 46.783 -1.740 1
1 15 . 9 1 1 A 4 4 GLY N N 4 108.904 107.820 1.084 1
1 16 . 9 1 1 A 5 5 LYS H H 5 7.974 7.615 0.359 1
1 17 . 9 1 1 A 5 5 LYS HA H 5 4.265 4.772 -0.507 1
1 26 . 9 1 1 A 5 5 LYS CA C 5 55.709 54.472 1.237 1
1 27 . 9 1 1 A 5 5 LYS CB C 5 33.081 35.613 -2.532 1
1 31 . 9 1 1 A 5 5 LYS N N 5 120.616 119.292 1.324 1
1 32 . 9 1 1 A 6 6 LYS H H 6 8.291 8.395 -0.104 1
1 33 . 9 1 1 A 6 6 LYS HA H 6 4.505 4.593 -0.088 1
1 36 . 9 1 1 A 6 6 LYS CA C 6 54.105 54.471 -0.366 1
1 37 . 9 1 1 A 6 6 LYS CB C 6 32.381 31.533 0.848 1
1 38 . 9 1 1 A 6 6 LYS N N 6 124.267 123.594 0.673 1
1 39 . 9 1 1 A 7 7 PRO HA H 7 4.371 4.528 -0.157 1
1 46 . 9 1 1 A 7 7 PRO CA C 7 62.738 62.408 0.330 1
1 47 . 9 1 1 A 7 7 PRO CB C 7 31.942 32.467 -0.525 1
1 50 . 9 1 1 A 8 8 VAL H H 8 8.244 8.289 -0.045 1
1 51 . 9 1 1 A 8 8 VAL HA H 8 4.012 4.013 -0.001 1
1 59 . 9 1 1 A 8 8 VAL CA C 8 61.883 62.265 -0.382 1
1 60 . 9 1 1 A 8 8 VAL CB C 8 32.743 31.788 0.955 1
1 63 . 9 1 1 A 8 8 VAL N N 8 120.593 119.081 1.512 1
1 64 . 9 1 1 A 9 9 SER H H 9 8.296 8.730 -0.434 1
1 65 . 9 1 1 A 9 9 SER HA H 9 4.315 4.718 -0.403 1
1 68 . 9 1 1 A 9 9 SER CA C 9 57.429 57.392 0.037 1
1 69 . 9 1 1 A 9 9 SER CB C 9 63.804 65.172 -1.368 1
1 70 . 9 1 1 A 9 9 SER N N 9 118.557 123.571 -5.014 1
1 71 . 9 1 1 A 10 10 ALA H H 10 8.214 8.521 -0.307 1
1 72 . 9 1 1 A 10 10 ALA HA H 10 4.069 4.664 -0.595 1
1 76 . 9 1 1 A 10 10 ALA CA C 10 53.042 51.341 1.701 1
1 77 . 9 1 1 A 10 10 ALA CB C 10 19.919 20.237 -0.318 1
1 78 . 9 1 1 A 10 10 ALA N N 10 125.277 123.102 2.175 1
1 79 . 9 1 1 A 11 11 PHE H H 11 8.238 7.768 0.470 1
1 80 . 9 1 1 A 11 11 PHE HA H 11 4.816 4.901 -0.085 1
1 88 . 9 1 1 A 11 11 PHE CA C 11 57.727 56.123 1.604 1
1 89 . 9 1 1 A 11 11 PHE CB C 11 39.854 38.930 0.924 1
1 94 . 9 1 1 A 11 11 PHE N N 11 114.771 118.197 -3.426 1
1 95 . 9 1 1 A 12 12 SER H H 12 8.809 8.894 -0.085 1
1 96 . 9 1 1 A 12 12 SER HA H 12 4.395 4.301 0.094 1
1 99 . 9 1 1 A 12 12 SER CA C 12 58.641 61.602 -2.961 1
1 100 . 9 1 1 A 12 12 SER CB C 12 63.274 63.208 0.066 1
1 101 . 9 1 1 A 12 12 SER N N 12 119.399 121.085 -1.686 1
1 102 . 9 1 1 A 13 13 LYS H H 13 7.884 7.931 -0.047 1
1 103 . 9 1 1 A 13 13 LYS HA H 13 4.575 4.834 -0.259 1
1 112 . 9 1 1 A 13 13 LYS CA C 13 56.362 55.113 1.249 1
1 113 . 9 1 1 A 13 13 LYS CB C 13 35.664 35.184 0.480 1
1 114 . 9 1 1 A 13 13 LYS N N 13 121.565 119.679 1.886 1
1 115 . 9 1 1 A 14 14 LYS H H 14 8.744 8.567 0.177 1
1 116 . 9 1 1 A 14 14 LYS HA H 14 4.313 4.527 -0.214 1
1 123 . 9 1 1 A 14 14 LYS CA C 14 53.374 54.416 -1.042 1
1 124 . 9 1 1 A 14 14 LYS CB C 14 32.741 33.005 -0.264 1
1 127 . 9 1 1 A 14 14 LYS N N 14 125.096 127.857 -2.761 1
1 128 . 9 1 1 A 15 15 PRO HA H 15 4.693 4.923 -0.230 1
1 135 . 9 1 1 A 15 15 PRO CA C 15 62.248 62.197 0.051 1
1 136 . 9 1 1 A 15 15 PRO CB C 15 31.343 29.331 2.012 1
1 139 . 9 1 1 A 16 16 ARG H H 16 8.118 7.995 0.123 1
1 140 . 9 1 1 A 16 16 ARG HA H 16 4.592 4.322 0.270 1
1 147 . 9 1 1 A 16 16 ARG CA C 16 53.951 56.931 -2.980 1
1 148 . 9 1 1 A 16 16 ARG CB C 16 32.456 30.616 1.840 1
1 151 . 9 1 1 A 16 16 ARG N N 16 119.622 124.171 -4.549 1
1 152 . 9 1 1 A 17 17 SER H H 17 8.511 8.610 -0.099 1
1 153 . 9 1 1 A 17 17 SER HA H 17 5.281 4.576 0.705 1
1 156 . 9 1 1 A 17 17 SER CA C 17 59.888 58.592 1.296 1
1 157 . 9 1 1 A 17 17 SER CB C 17 63.405 64.385 -0.980 1
1 158 . 9 1 1 A 17 17 SER N N 17 117.935 116.240 1.695 1
1 159 . 9 1 1 A 18 18 VAL H H 18 8.389 8.810 -0.421 1
1 160 . 9 1 1 A 18 18 VAL HA H 18 4.660 4.957 -0.297 1
1 168 . 9 1 1 A 18 18 VAL CA C 18 60.004 59.044 0.960 1
1 169 . 9 1 1 A 18 18 VAL CB C 18 36.675 36.082 0.593 1
1 172 . 9 1 1 A 18 18 VAL N N 18 117.416 116.418 0.998 1
1 173 . 9 1 1 A 19 19 GLU H H 19 8.190 8.766 -0.576 1
1 174 . 9 1 1 A 19 19 GLU HA H 19 5.351 5.476 -0.125 1
1 179 . 9 1 1 A 19 19 GLU CA C 19 54.138 54.802 -0.664 1
1 180 . 9 1 1 A 19 19 GLU CB C 19 31.658 32.748 -1.090 1
1 181 . 9 1 1 A 19 19 GLU N N 19 124.652 120.733 3.919 1
1 182 . 9 1 1 A 20 20 VAL H H 20 8.616 8.679 -0.063 1
1 183 . 9 1 1 A 20 20 VAL HA H 20 4.491 4.735 -0.244 1
1 191 . 9 1 1 A 20 20 VAL CA C 20 59.013 59.506 -0.493 1
1 192 . 9 1 1 A 20 20 VAL CB C 20 36.048 35.749 0.299 1
1 195 . 9 1 1 A 20 20 VAL N N 20 120.245 118.969 1.276 1
1 196 . 9 1 1 A 21 21 ALA H H 21 8.375 8.622 -0.247 1
1 197 . 9 1 1 A 21 21 ALA HA H 21 4.364 4.685 -0.321 1
1 201 . 9 1 1 A 21 21 ALA CA C 21 51.307 51.830 -0.523 1
1 202 . 9 1 1 A 21 21 ALA CB C 21 18.726 19.102 -0.376 1
1 203 . 9 1 1 A 21 21 ALA N N 21 126.173 125.571 0.602 1
1 204 . 9 1 1 A 22 22 ALA H H 22 8.287 8.078 0.209 1
1 205 . 9 1 1 A 22 22 ALA HA H 22 3.899 3.985 -0.086 1
1 209 . 9 1 1 A 22 22 ALA CA C 22 53.104 54.042 -0.938 1
1 210 . 9 1 1 A 22 22 ALA CB C 22 17.631 18.463 -0.832 1
1 211 . 9 1 1 A 22 22 ALA N N 22 123.045 123.301 -0.256 1
1 212 . 9 1 1 A 23 23 GLY H H 23 9.862 8.824 1.038 1
1 213 . 9 1 1 A 23 23 GLY HA2 H 23 3.255 3.991 -0.736 1
1 214 . 9 1 1 A 23 23 GLY HA3 H 23 4.371 3.993 0.378 1
1 215 . 9 1 1 A 23 23 GLY CA C 23 44.741 44.987 -0.246 1
1 216 . 9 1 1 A 23 23 GLY N N 23 112.047 111.619 0.428 1
1 217 . 9 1 1 A 24 24 SER H H 24 7.944 7.937 0.007 1
1 218 . 9 1 1 A 24 24 SER HA H 24 4.750 4.508 0.242 1
1 221 . 9 1 1 A 24 24 SER CA C 24 57.787 56.236 1.551 1
1 222 . 9 1 1 A 24 24 SER CB C 24 63.296 63.786 -0.490 1
1 223 . 9 1 1 A 24 24 SER N N 24 119.405 118.023 1.382 1
1 224 . 9 1 1 A 25 25 PRO HA H 25 5.142 4.655 0.487 1
1 231 . 9 1 1 A 25 25 PRO CA C 25 61.743 62.687 -0.944 1
1 232 . 9 1 1 A 25 25 PRO CB C 25 31.751 32.135 -0.384 1
1 235 . 9 1 1 A 26 26 ALA H H 26 8.688 8.299 0.389 1
1 236 . 9 1 1 A 26 26 ALA HA H 26 4.396 4.858 -0.462 1
1 240 . 9 1 1 A 26 26 ALA CA C 26 49.972 50.727 -0.755 1
1 241 . 9 1 1 A 26 26 ALA CB C 26 22.877 21.993 0.884 1
1 242 . 9 1 1 A 26 26 ALA N N 26 123.024 123.907 -0.883 1
1 243 . 9 1 1 A 27 27 VAL H H 27 7.751 8.707 -0.956 1
1 244 . 9 1 1 A 27 27 VAL HA H 27 4.522 5.048 -0.526 1
1 252 . 9 1 1 A 27 27 VAL CA C 27 60.899 59.088 1.811 1
1 253 . 9 1 1 A 27 27 VAL CB C 27 33.331 35.212 -1.881 1
1 255 . 9 1 1 A 27 27 VAL N N 27 121.938 122.114 -0.176 1
1 256 . 9 1 1 A 28 28 PHE H H 28 9.196 9.090 0.106 1
1 257 . 9 1 1 A 28 28 PHE HA H 28 4.561 5.184 -0.623 1
1 265 . 9 1 1 A 28 28 PHE CA C 28 56.051 55.956 0.095 1
1 266 . 9 1 1 A 28 28 PHE CB C 28 42.218 42.467 -0.249 1
1 271 . 9 1 1 A 28 28 PHE N N 28 126.818 125.994 0.824 1
1 272 . 9 1 1 A 29 29 GLU H H 29 8.583 9.025 -0.442 1
1 273 . 9 1 1 A 29 29 GLU HA H 29 5.405 5.072 0.333 1
1 278 . 9 1 1 A 29 29 GLU CA C 29 54.508 55.562 -1.054 1
1 279 . 9 1 1 A 29 29 GLU CB C 29 33.692 31.542 2.150 1
1 280 . 9 1 1 A 29 29 GLU N N 29 120.733 123.836 -3.103 1
1 281 . 9 1 1 A 30 30 ALA H H 30 9.484 9.341 0.143 1
1 282 . 9 1 1 A 30 30 ALA HA H 30 4.691 5.427 -0.736 1
1 286 . 9 1 1 A 30 30 ALA CA C 30 49.421 50.940 -1.519 1
1 287 . 9 1 1 A 30 30 ALA CB C 30 23.523 22.110 1.413 1
1 288 . 9 1 1 A 30 30 ALA N N 30 124.341 128.708 -4.367 1
1 289 . 9 1 1 A 31 31 GLU H H 31 9.001 9.373 -0.372 1
1 290 . 9 1 1 A 31 31 GLU HA H 31 6.016 5.131 0.885 1
1 295 . 9 1 1 A 31 31 GLU CA C 31 54.301 54.906 -0.605 1
1 296 . 9 1 1 A 31 31 GLU CB C 31 33.336 33.058 0.278 1
1 298 . 9 1 1 A 31 31 GLU N N 31 120.169 123.315 -3.146 1
1 299 . 9 1 1 A 32 32 THR H H 32 9.330 8.865 0.465 1
1 300 . 9 1 1 A 32 32 THR HA H 32 4.842 4.321 0.521 1
1 305 . 9 1 1 A 32 32 THR CA C 32 59.738 60.147 -0.409 1
1 306 . 9 1 1 A 32 32 THR CB C 32 69.791 71.189 -1.398 1
1 308 . 9 1 1 A 32 32 THR N N 32 115.538 114.836 0.702 1
1 309 . 9 1 1 A 33 33 GLU H H 33 7.950 8.864 -0.914 1
1 310 . 9 1 1 A 33 33 GLU HA H 33 3.944 4.512 -0.568 1
1 315 . 9 1 1 A 33 33 GLU CA C 33 58.563 57.300 1.263 1
1 316 . 9 1 1 A 33 33 GLU CB C 33 29.836 30.278 -0.442 1
1 318 . 9 1 1 A 33 33 GLU N N 33 119.723 122.054 -2.331 1
1 319 . 9 1 1 A 34 34 ARG H H 34 7.791 7.522 0.269 1
1 320 . 9 1 1 A 34 34 ARG HA H 34 4.490 4.744 -0.254 1
1 327 . 9 1 1 A 34 34 ARG CA C 34 53.485 55.305 -1.820 1
1 328 . 9 1 1 A 34 34 ARG CB C 34 32.411 33.815 -1.404 1
1 331 . 9 1 1 A 34 34 ARG N N 34 113.251 119.132 -5.881 1
1 332 . 9 1 1 A 35 35 ALA H H 35 8.614 8.604 0.010 1
1 333 . 9 1 1 A 35 35 ALA HA H 35 4.050 4.768 -0.718 1
1 337 . 9 1 1 A 35 35 ALA CA C 35 51.762 51.278 0.484 1
1 338 . 9 1 1 A 35 35 ALA N N 35 125.041 125.881 -0.840 1
1 339 . 9 1 1 A 36 36 GLY H H 36 8.647 8.921 -0.274 1
1 340 . 9 1 1 A 36 36 GLY HA2 H 36 3.634 3.991 -0.357 1
1 341 . 9 1 1 A 36 36 GLY HA3 H 36 3.960 4.001 -0.041 1
1 342 . 9 1 1 A 36 36 GLY CA C 36 45.703 45.066 0.637 1
1 343 . 9 1 1 A 36 36 GLY N N 36 108.031 110.748 -2.717 1
1 344 . 9 1 1 A 37 37 VAL H H 37 7.077 7.740 -0.663 1
1 345 . 9 1 1 A 37 37 VAL HA H 37 3.869 4.287 -0.418 1
1 353 . 9 1 1 A 37 37 VAL CA C 37 61.469 60.741 0.728 1
1 354 . 9 1 1 A 37 37 VAL CB C 37 32.942 32.950 -0.008 1
1 357 . 9 1 1 A 37 37 VAL N N 37 119.457 118.645 0.812 1
1 358 . 9 1 1 A 38 38 LYS H H 38 8.467 8.660 -0.193 1
1 359 . 9 1 1 A 38 38 LYS HA H 38 4.267 4.781 -0.514 1
1 366 . 9 1 1 A 38 38 LYS CA C 38 55.873 55.807 0.066 1
1 367 . 9 1 1 A 38 38 LYS CB C 38 30.881 32.849 -1.968 1
1 370 . 9 1 1 A 38 38 LYS N N 38 128.214 124.774 3.440 1
1 371 . 9 1 1 A 39 39 VAL H H 39 7.993 8.090 -0.097 1
1 372 . 9 1 1 A 39 39 VAL HA H 39 4.537 3.803 0.734 1
1 380 . 9 1 1 A 39 39 VAL CA C 39 60.114 62.613 -2.499 1
1 381 . 9 1 1 A 39 39 VAL CB C 39 33.719 30.910 2.809 1
1 384 . 9 1 1 A 39 39 VAL N N 39 123.133 125.548 -2.415 1
1 385 . 9 1 1 A 40 40 ARG H H 40 8.507 8.685 -0.178 1
1 386 . 9 1 1 A 40 40 ARG HA H 40 4.503 4.820 -0.317 1
1 393 . 9 1 1 A 40 40 ARG CA C 40 54.098 55.342 -1.244 1
1 394 . 9 1 1 A 40 40 ARG CB C 40 33.701 31.423 2.278 1
1 397 . 9 1 1 A 40 40 ARG N N 40 124.492 127.691 -3.199 1
1 398 . 9 1 1 A 41 41 TRP H H 41 9.083 8.976 0.107 1
1 399 . 9 1 1 A 41 41 TRP HA H 41 5.311 5.405 -0.094 1
1 408 . 9 1 1 A 41 41 TRP CA C 41 55.134 55.652 -0.518 1
1 409 . 9 1 1 A 41 41 TRP CB C 41 31.370 32.371 -1.001 1
1 413 . 9 1 1 A 41 41 TRP N N 41 123.367 126.062 -2.695 1
1 415 . 9 1 1 A 42 42 GLN H H 42 9.532 9.049 0.483 1
1 416 . 9 1 1 A 42 42 GLN HA H 42 5.159 4.771 0.388 1
1 423 . 9 1 1 A 42 42 GLN CA C 42 54.445 54.516 -0.071 1
1 424 . 9 1 1 A 42 42 GLN CB C 42 34.775 32.844 1.931 1
1 426 . 9 1 1 A 42 42 GLN N N 42 118.692 121.413 -2.721 1
1 427 . 9 1 1 A 43 43 ARG H H 43 8.209 8.758 -0.549 1
1 428 . 9 1 1 A 43 43 ARG HA H 43 4.039 4.080 -0.041 1
1 435 . 9 1 1 A 43 43 ARG CA C 43 54.790 54.345 0.445 1
1 436 . 9 1 1 A 43 43 ARG CB C 43 32.202 31.402 0.800 1
1 439 . 9 1 1 A 43 43 ARG N N 43 119.579 126.547 -6.968 1
1 440 . 9 1 1 A 46 46 SER H H 46 7.513 7.657 -0.144 1
1 441 . 9 1 1 A 46 46 SER HA H 46 4.674 4.684 -0.010 1
1 444 . 9 1 1 A 46 46 SER CA C 46 56.766 56.783 -0.017 1
1 445 . 9 1 1 A 46 46 SER CB C 46 64.815 64.844 -0.029 1
1 446 . 9 1 1 A 46 46 SER N N 46 114.927 116.523 -1.596 1
1 447 . 9 1 1 A 47 47 ASP H H 47 8.698 8.726 -0.028 1
1 448 . 9 1 1 A 47 47 ASP HA H 47 4.830 4.582 0.248 1
1 451 . 9 1 1 A 47 47 ASP CA C 47 55.177 54.219 0.958 1
1 452 . 9 1 1 A 47 47 ASP CB C 47 40.385 41.202 -0.817 1
1 453 . 9 1 1 A 47 47 ASP N N 47 125.553 126.575 -1.022 1
1 454 . 9 1 1 A 48 48 ILE H H 48 8.781 8.647 0.134 1
1 455 . 9 1 1 A 48 48 ILE HA H 48 3.879 4.737 -0.858 1
1 465 . 9 1 1 A 48 48 ILE CA C 48 61.218 59.707 1.511 1
1 466 . 9 1 1 A 48 48 ILE CB C 48 39.345 40.532 -1.187 1
1 470 . 9 1 1 A 48 48 ILE N N 48 124.032 122.144 1.888 1
1 471 . 9 1 1 A 49 49 SER H H 49 7.963 8.344 -0.381 1
1 472 . 9 1 1 A 49 49 SER HA H 49 4.681 4.821 -0.140 1
1 475 . 9 1 1 A 49 49 SER CA C 49 56.256 56.952 -0.696 1
1 476 . 9 1 1 A 49 49 SER CB C 49 65.243 65.458 -0.215 1
1 477 . 9 1 1 A 49 49 SER N N 49 121.077 118.624 2.453 1
1 478 . 9 1 1 A 50 50 ALA H H 50 8.516 8.400 0.116 1
1 479 . 9 1 1 A 50 50 ALA HA H 50 4.302 4.489 -0.187 1
1 483 . 9 1 1 A 50 50 ALA CA C 50 53.052 52.172 0.880 1
1 484 . 9 1 1 A 50 50 ALA CB C 50 18.821 18.091 0.730 1
1 485 . 9 1 1 A 50 50 ALA N N 50 123.977 126.641 -2.664 1
1 486 . 9 1 1 A 51 51 SER H H 51 9.564 8.398 1.166 1
1 487 . 9 1 1 A 51 51 SER HA H 51 4.797 4.876 -0.079 1
1 490 . 9 1 1 A 51 51 SER CA C 51 56.946 56.123 0.823 1
1 491 . 9 1 1 A 51 51 SER CB C 51 65.759 65.966 -0.207 1
1 492 . 9 1 1 A 51 51 SER N N 51 117.545 117.270 0.275 1
1 494 . 9 1 1 A 52 52 ASN CA C 52 55.930 54.167 1.763 1
1 495 . 9 1 1 A 52 52 ASN CB C 52 37.045 38.454 -1.409 1
1 496 . 9 1 1 A 53 53 LYS H H 53 8.053 8.809 -0.756 1
1 497 . 9 1 1 A 53 53 LYS HA H 53 3.995 4.013 -0.018 1
1 506 . 9 1 1 A 53 53 LYS CA C 53 53.699 57.766 -4.067 1
1 507 . 9 1 1 A 53 53 LYS CB C 53 33.687 32.019 1.668 1
1 511 . 9 1 1 A 53 53 LYS N N 53 121.638 122.768 -1.130 1
1 512 . 9 1 1 A 54 54 TYR H H 54 6.779 7.854 -1.075 1
1 513 . 9 1 1 A 54 54 TYR HA H 54 5.484 5.289 0.195 1
1 520 . 9 1 1 A 54 54 TYR CA C 54 55.016 56.590 -1.574 1
1 521 . 9 1 1 A 54 54 TYR CB C 54 40.147 43.551 -3.404 1
1 526 . 9 1 1 A 54 54 TYR N N 54 114.754 118.915 -4.161 1
1 527 . 9 1 1 A 55 55 GLY H H 55 9.666 8.224 1.442 1
1 528 . 9 1 1 A 55 55 GLY HA2 H 55 4.653 4.238 0.415 1
1 529 . 9 1 1 A 55 55 GLY HA3 H 55 3.343 4.251 -0.908 1
1 530 . 9 1 1 A 55 55 GLY CA C 55 44.332 45.482 -1.150 1
1 531 . 9 1 1 A 55 55 GLY N N 55 110.691 108.367 2.324 1
1 532 . 9 1 1 A 56 56 LEU H H 56 8.542 9.018 -0.476 1
1 533 . 9 1 1 A 56 56 LEU HA H 56 5.138 4.793 0.345 1
1 543 . 9 1 1 A 56 56 LEU CA C 56 54.213 53.694 0.519 1
1 544 . 9 1 1 A 56 56 LEU CB C 56 45.206 43.177 2.029 1
1 548 . 9 1 1 A 56 56 LEU N N 56 125.972 126.495 -0.523 1
1 549 . 9 1 1 A 57 57 ALA H H 57 8.594 8.918 -0.324 1
1 550 . 9 1 1 A 57 57 ALA HA H 57 4.790 4.957 -0.167 1
1 554 . 9 1 1 A 57 57 ALA CA C 57 51.318 50.253 1.065 1
1 555 . 9 1 1 A 57 57 ALA CB C 57 22.564 20.065 2.499 1
1 556 . 9 1 1 A 57 57 ALA N N 57 124.534 127.705 -3.171 1
1 557 . 9 1 1 A 58 58 THR H H 58 8.602 8.981 -0.379 1
1 558 . 9 1 1 A 58 58 THR HA H 58 4.862 4.851 0.011 1
1 563 . 9 1 1 A 58 58 THR CA C 58 62.034 60.240 1.794 1
1 564 . 9 1 1 A 58 58 THR CB C 58 72.197 71.398 0.799 1
1 566 . 9 1 1 A 58 58 THR N N 58 119.396 119.137 0.259 1
1 567 . 9 1 1 A 59 59 GLU H H 59 8.883 8.680 0.203 1
1 568 . 9 1 1 A 59 59 GLU HA H 59 4.378 4.541 -0.163 1
1 573 . 9 1 1 A 59 59 GLU CA C 59 54.955 55.178 -0.223 1
1 574 . 9 1 1 A 59 59 GLU CB C 59 31.121 31.300 -0.179 1
1 576 . 9 1 1 A 59 59 GLU N N 59 128.594 126.970 1.624 1
1 577 . 9 1 1 A 60 60 GLY H H 60 9.045 8.911 0.134 1
1 578 . 9 1 1 A 60 60 GLY HA2 H 60 4.081 3.859 0.222 1
1 579 . 9 1 1 A 60 60 GLY HA3 H 60 3.529 3.864 -0.335 1
1 580 . 9 1 1 A 60 60 GLY CA C 60 47.127 47.220 -0.093 1
1 581 . 9 1 1 A 60 60 GLY N N 60 117.047 116.431 0.616 1
1 582 . 9 1 1 A 61 61 THR H H 61 8.332 8.594 -0.262 1
1 583 . 9 1 1 A 61 61 THR HA H 61 4.129 4.529 -0.400 1
1 588 . 9 1 1 A 61 61 THR CA C 61 61.659 61.713 -0.054 1
1 589 . 9 1 1 A 61 61 THR CB C 61 68.477 69.001 -0.524 1
1 591 . 9 1 1 A 61 61 THR N N 61 118.086 119.159 -1.073 1
1 592 . 9 1 1 A 62 62 ARG H H 62 7.906 7.678 0.228 1
1 593 . 9 1 1 A 62 62 ARG HA H 62 4.754 5.029 -0.275 1
1 600 . 9 1 1 A 62 62 ARG CA C 62 56.040 54.539 1.501 1
1 601 . 9 1 1 A 62 62 ARG CB C 62 31.775 33.743 -1.968 1
1 604 . 9 1 1 A 62 62 ARG N N 62 121.911 121.531 0.380 1
1 605 . 9 1 1 A 63 63 HIS H H 63 9.212 9.283 -0.071 1
1 606 . 9 1 1 A 63 63 HIS HA H 63 5.364 5.193 0.171 1
1 611 . 9 1 1 A 63 63 HIS CA C 63 55.066 54.814 0.252 1
1 612 . 9 1 1 A 63 63 HIS CB C 63 33.860 32.628 1.232 1
1 614 . 9 1 1 A 63 63 HIS N N 63 127.111 119.698 7.413 1
1 615 . 9 1 1 A 64 64 THR H H 64 9.261 9.105 0.156 1
1 616 . 9 1 1 A 64 64 THR HA H 64 5.510 5.240 0.270 1
1 621 . 9 1 1 A 64 64 THR CA C 64 60.691 62.021 -1.330 1
1 622 . 9 1 1 A 64 64 THR CB C 64 71.788 69.790 1.998 1
1 624 . 9 1 1 A 64 64 THR N N 64 117.400 118.688 -1.288 1
1 625 . 9 1 1 A 65 65 LEU H H 65 8.456 8.857 -0.401 1
1 626 . 9 1 1 A 65 65 LEU HA H 65 4.642 4.685 -0.043 1
1 636 . 9 1 1 A 65 65 LEU CA C 65 52.783 53.150 -0.367 1
1 637 . 9 1 1 A 65 65 LEU CB C 65 41.350 43.075 -1.725 1
1 641 . 9 1 1 A 65 65 LEU N N 65 129.806 129.884 -0.078 1
1 642 . 9 1 1 A 66 66 THR H H 66 9.381 9.146 0.235 1
1 643 . 9 1 1 A 66 66 THR HA H 66 4.975 4.751 0.224 1
1 648 . 9 1 1 A 66 66 THR CA C 66 61.072 62.043 -0.971 1
1 649 . 9 1 1 A 66 66 THR CB C 66 70.346 70.320 0.026 1
1 651 . 9 1 1 A 66 66 THR N N 66 123.110 124.068 -0.958 1
1 652 . 9 1 1 A 67 67 VAL H H 67 9.493 9.181 0.312 1
1 653 . 9 1 1 A 67 67 VAL HA H 67 4.317 4.502 -0.185 1
1 661 . 9 1 1 A 67 67 VAL CA C 67 61.300 61.578 -0.278 1
1 662 . 9 1 1 A 67 67 VAL CB C 67 31.636 34.287 -2.651 1
1 665 . 9 1 1 A 67 67 VAL N N 67 128.451 126.529 1.922 1
1 666 . 9 1 1 A 68 68 ARG H H 68 8.500 8.641 -0.141 1
1 667 . 9 1 1 A 68 68 ARG HA H 68 3.839 4.322 -0.483 1
1 674 . 9 1 1 A 68 68 ARG CA C 68 57.379 56.829 0.550 1
1 675 . 9 1 1 A 68 68 ARG CB C 68 30.481 30.456 0.025 1
1 678 . 9 1 1 A 68 68 ARG N N 68 124.308 126.975 -2.667 1
1 679 . 9 1 1 A 69 69 GLU H H 69 8.545 7.951 0.594 1
1 680 . 9 1 1 A 69 69 GLU HA H 69 3.147 4.079 -0.932 1
1 685 . 9 1 1 A 69 69 GLU CA C 69 55.733 58.027 -2.294 1
1 686 . 9 1 1 A 69 69 GLU CB C 69 28.793 29.651 -0.858 1
1 688 . 9 1 1 A 69 69 GLU N N 69 118.177 119.504 -1.327 1
1 689 . 9 1 1 A 70 70 VAL H H 70 7.771 7.371 0.400 1
1 690 . 9 1 1 A 70 70 VAL HA H 70 3.810 3.992 -0.182 1
1 698 . 9 1 1 A 70 70 VAL CA C 70 63.848 62.633 1.215 1
1 699 . 9 1 1 A 70 70 VAL CB C 70 31.885 32.372 -0.487 1
1 702 . 9 1 1 A 70 70 VAL N N 70 117.579 119.359 -1.780 1
1 703 . 9 1 1 A 71 71 GLY H H 71 9.389 8.376 1.013 1
1 704 . 9 1 1 A 71 71 GLY HA2 H 71 4.470 4.215 0.255 1
1 705 . 9 1 1 A 71 71 GLY HA3 H 71 3.895 4.218 -0.323 1
1 706 . 9 1 1 A 71 71 GLY CA C 71 43.915 45.098 -1.183 1
1 707 . 9 1 1 A 71 71 GLY N N 71 114.169 114.703 -0.534 1
1 708 . 9 1 1 A 72 72 PRO HA H 72 4.038 4.431 -0.393 1
1 715 . 9 1 1 A 72 72 PRO CA C 72 65.800 64.624 1.176 1
1 716 . 9 1 1 A 72 72 PRO CB C 72 31.553 31.806 -0.253 1
1 719 . 9 1 1 A 73 73 ALA H H 73 8.558 8.337 0.221 1
1 720 . 9 1 1 A 73 73 ALA HA H 73 4.186 4.299 -0.113 1
1 724 . 9 1 1 A 73 73 ALA CA C 73 53.826 53.522 0.304 1
1 725 . 9 1 1 A 73 73 ALA CB C 73 18.152 19.171 -1.019 1
1 726 . 9 1 1 A 73 73 ALA N N 73 118.164 119.881 -1.717 1
1 727 . 9 1 1 A 74 74 ASP H H 74 8.381 7.743 0.638 1
1 728 . 9 1 1 A 74 74 ASP HA H 74 4.586 4.689 -0.103 1
1 731 . 9 1 1 A 74 74 ASP CA C 74 55.178 54.585 0.593 1
1 732 . 9 1 1 A 74 74 ASP CB C 74 42.280 41.245 1.035 1
1 733 . 9 1 1 A 74 74 ASP N N 74 113.856 116.544 -2.688 1
1 734 . 9 1 1 A 75 75 GLN H H 75 7.409 7.789 -0.380 1
1 735 . 9 1 1 A 75 75 GLN HA H 75 4.252 4.424 -0.172 1
1 740 . 9 1 1 A 75 75 GLN CA C 75 56.682 55.186 1.496 1
1 741 . 9 1 1 A 75 75 GLN CB C 75 30.337 27.657 2.680 1
1 743 . 9 1 1 A 75 75 GLN N N 75 119.456 121.175 -1.719 1
1 744 . 9 1 1 A 76 76 GLY H H 76 8.984 8.442 0.542 1
1 745 . 9 1 1 A 76 76 GLY HA2 H 76 4.610 4.132 0.478 1
1 746 . 9 1 1 A 76 76 GLY HA3 H 76 3.863 4.152 -0.289 1
1 747 . 9 1 1 A 76 76 GLY CA C 76 44.149 45.539 -1.390 1
1 748 . 9 1 1 A 76 76 GLY N N 76 112.000 113.574 -1.574 1
1 749 . 9 1 1 A 77 77 SER H H 77 8.106 8.696 -0.590 1
1 750 . 9 1 1 A 77 77 SER HA H 77 5.009 5.436 -0.427 1
1 753 . 9 1 1 A 77 77 SER CA C 77 58.199 56.302 1.897 1
1 754 . 9 1 1 A 77 77 SER CB C 77 64.099 65.772 -1.673 1
1 755 . 9 1 1 A 77 77 SER N N 77 114.587 116.215 -1.628 1
1 756 . 9 1 1 A 78 78 TYR H H 78 9.056 8.988 0.068 1
1 757 . 9 1 1 A 78 78 TYR HA H 78 4.530 4.819 -0.289 1
1 764 . 9 1 1 A 78 78 TYR CA C 78 56.450 56.438 0.012 1
1 765 . 9 1 1 A 78 78 TYR CB C 78 43.805 39.400 4.405 1
1 770 . 9 1 1 A 78 78 TYR N N 78 127.751 123.533 4.218 1
1 771 . 9 1 1 A 79 79 ALA H H 79 8.558 8.534 0.024 1
1 772 . 9 1 1 A 79 79 ALA HA H 79 5.233 5.216 0.017 1
1 776 . 9 1 1 A 79 79 ALA CA C 79 50.806 49.885 0.921 1
1 777 . 9 1 1 A 79 79 ALA CB C 79 23.130 22.533 0.597 1
1 778 . 9 1 1 A 79 79 ALA N N 79 118.647 124.248 -5.601 1
1 779 . 9 1 1 A 80 80 VAL H H 80 8.717 8.512 0.205 1
1 780 . 9 1 1 A 80 80 VAL HA H 80 4.905 4.648 0.257 1
1 788 . 9 1 1 A 80 80 VAL CA C 80 58.760 60.079 -1.319 1
1 789 . 9 1 1 A 80 80 VAL CB C 80 35.087 34.743 0.344 1
1 792 . 9 1 1 A 80 80 VAL N N 80 118.846 118.069 0.777 1
1 793 . 9 1 1 A 81 81 ILE H H 81 8.739 8.903 -0.164 1
1 794 . 9 1 1 A 81 81 ILE HA H 81 5.012 5.190 -0.178 1
1 804 . 9 1 1 A 81 81 ILE CA C 81 59.751 59.686 0.065 1
1 805 . 9 1 1 A 81 81 ILE CB C 81 42.030 40.809 1.221 1
1 809 . 9 1 1 A 81 81 ILE N N 81 126.232 129.055 -2.823 1
1 810 . 9 1 1 A 82 82 ALA H H 82 8.388 8.615 -0.227 1
1 811 . 9 1 1 A 82 82 ALA HA H 82 4.449 4.458 -0.009 1
1 815 . 9 1 1 A 82 82 ALA CA C 82 50.839 50.760 0.079 1
1 816 . 9 1 1 A 82 82 ALA CB C 82 21.160 20.013 1.147 1
1 817 . 9 1 1 A 82 82 ALA N N 82 128.273 127.833 0.440 1
1 818 . 9 1 1 A 83 83 GLY H H 83 8.841 8.932 -0.091 1
1 819 . 9 1 1 A 83 83 GLY HA2 H 83 3.815 3.831 -0.016 1
1 820 . 9 1 1 A 83 83 GLY HA3 H 83 3.509 3.838 -0.329 1
1 821 . 9 1 1 A 83 83 GLY CA C 83 46.917 47.274 -0.357 1
1 822 . 9 1 1 A 83 83 GLY N N 83 113.065 115.515 -2.450 1
1 823 . 9 1 1 A 85 85 SER H H 85 8.423 7.343 1.080 1
1 824 . 9 1 1 A 85 85 SER HA H 85 4.659 4.467 0.192 1
1 827 . 9 1 1 A 85 85 SER CA C 85 58.485 58.281 0.204 1
1 828 . 9 1 1 A 85 85 SER CB C 85 64.397 64.212 0.185 1
1 829 . 9 1 1 A 85 85 SER N N 85 119.428 116.997 2.431 1
1 830 . 9 1 1 A 86 86 LYS H H 86 8.490 8.539 -0.049 1
1 831 . 9 1 1 A 86 86 LYS HA H 86 5.243 5.127 0.116 1
1 840 . 9 1 1 A 86 86 LYS CA C 86 54.822 54.750 0.072 1
1 841 . 9 1 1 A 86 86 LYS CB C 86 35.340 35.289 0.051 1
1 845 . 9 1 1 A 86 86 LYS N N 86 125.678 126.165 -0.487 1
1 846 . 9 1 1 A 87 87 VAL H H 87 8.863 8.438 0.425 1
1 847 . 9 1 1 A 87 87 VAL HA H 87 4.300 4.803 -0.503 1
1 855 . 9 1 1 A 87 87 VAL CA C 87 60.870 59.244 1.626 1
1 856 . 9 1 1 A 87 87 VAL CB C 87 34.228 35.354 -1.126 1
1 859 . 9 1 1 A 87 87 VAL N N 87 126.631 120.685 5.946 1
1 860 . 9 1 1 A 88 88 LYS H H 88 8.475 8.921 -0.446 1
1 861 . 9 1 1 A 88 88 LYS HA H 88 5.065 4.909 0.156 1
1 870 . 9 1 1 A 88 88 LYS CA C 88 55.124 54.417 0.707 1
1 871 . 9 1 1 A 88 88 LYS CB C 88 34.479 36.329 -1.850 1
1 874 . 9 1 1 A 88 88 LYS N N 88 125.592 125.230 0.362 1
1 875 . 9 1 1 A 89 89 PHE H H 89 8.152 8.148 0.004 1
1 876 . 9 1 1 A 89 89 PHE HA H 89 4.601 5.614 -1.013 1
1 884 . 9 1 1 A 89 89 PHE CA C 89 56.311 55.213 1.098 1
1 885 . 9 1 1 A 89 89 PHE CB C 89 39.383 42.050 -2.667 1
1 888 . 9 1 1 A 89 89 PHE N N 89 119.005 116.984 2.021 1
1 889 . 9 1 1 A 90 90 ASP H H 90 9.006 8.963 0.043 1
1 890 . 9 1 1 A 90 90 ASP HA H 90 5.565 5.262 0.303 1
1 893 . 9 1 1 A 90 90 ASP CA C 90 53.532 54.093 -0.561 1
1 894 . 9 1 1 A 90 90 ASP CB C 90 45.151 42.849 2.302 1
1 895 . 9 1 1 A 90 90 ASP N N 90 118.742 119.935 -1.193 1
1 896 . 9 1 1 A 91 91 LEU H H 91 8.733 9.098 -0.365 1
1 897 . 9 1 1 A 91 91 LEU HA H 91 5.137 5.229 -0.092 1
1 907 . 9 1 1 A 91 91 LEU CA C 91 54.171 53.802 0.369 1
1 908 . 9 1 1 A 91 91 LEU CB C 91 45.625 44.969 0.656 1
1 911 . 9 1 1 A 91 91 LEU N N 91 121.344 126.370 -5.026 1
1 912 . 9 1 1 A 92 92 LYS H H 92 8.892 8.746 0.146 1
1 913 . 9 1 1 A 92 92 LYS HA H 92 4.733 4.634 0.099 1
1 922 . 9 1 1 A 92 92 LYS CA C 92 54.910 56.336 -1.426 1
1 923 . 9 1 1 A 92 92 LYS CB C 92 35.261 33.489 1.772 1
1 927 . 9 1 1 A 92 92 LYS N N 92 128.486 127.118 1.368 1
1 928 . 9 1 1 A 93 93 VAL H H 93 8.563 8.730 -0.167 1
1 929 . 9 1 1 A 93 93 VAL HA H 93 4.818 5.250 -0.432 1
1 937 . 9 1 1 A 93 93 VAL CA C 93 60.568 61.083 -0.515 1
1 938 . 9 1 1 A 93 93 VAL CB C 93 33.024 34.388 -1.364 1
1 941 . 9 1 1 A 93 93 VAL N N 93 124.459 122.836 1.623 1
1 942 . 9 1 1 A 94 94 ILE H H 94 8.395 8.923 -0.528 1
1 943 . 9 1 1 A 94 94 ILE HA H 94 4.162 4.802 -0.640 1
1 953 . 9 1 1 A 94 94 ILE CA C 94 60.238 59.636 0.602 1
1 954 . 9 1 1 A 94 94 ILE CB C 94 39.279 40.893 -1.614 1
1 958 . 9 1 1 A 94 94 ILE N N 94 126.433 126.938 -0.505 1
1 1 . 10 1 1 A 3 3 PRO HA H 3 4.235 4.639 -0.404 1
1 8 . 10 1 1 A 3 3 PRO CA C 3 63.375 62.363 1.012 1
1 9 . 10 1 1 A 3 3 PRO CB C 3 31.835 33.288 -1.453 1
1 11 . 10 1 1 A 4 4 GLY H H 4 8.439 8.093 0.346 1
1 12 . 10 1 1 A 4 4 GLY HA2 H 4 3.854 3.959 -0.105 1
1 13 . 10 1 1 A 4 4 GLY HA3 H 4 3.819 3.959 -0.140 1
1 14 . 10 1 1 A 4 4 GLY CA C 4 45.043 46.187 -1.144 1
1 15 . 10 1 1 A 4 4 GLY N N 4 108.904 106.389 2.515 1
1 16 . 10 1 1 A 5 5 LYS H H 5 7.974 7.529 0.445 1
1 17 . 10 1 1 A 5 5 LYS HA H 5 4.265 4.866 -0.601 1
1 26 . 10 1 1 A 5 5 LYS CA C 5 55.709 54.298 1.411 1
1 27 . 10 1 1 A 5 5 LYS CB C 5 33.081 36.890 -3.809 1
1 31 . 10 1 1 A 5 5 LYS N N 5 120.616 118.535 2.081 1
1 32 . 10 1 1 A 6 6 LYS H H 6 8.291 8.628 -0.337 1
1 33 . 10 1 1 A 6 6 LYS HA H 6 4.505 4.807 -0.302 1
1 36 . 10 1 1 A 6 6 LYS CA C 6 54.105 53.962 0.143 1
1 37 . 10 1 1 A 6 6 LYS CB C 6 32.381 33.378 -0.997 1
1 38 . 10 1 1 A 6 6 LYS N N 6 124.267 120.594 3.673 1
1 39 . 10 1 1 A 7 7 PRO HA H 7 4.371 4.623 -0.252 1
1 46 . 10 1 1 A 7 7 PRO CA C 7 62.738 62.280 0.458 1
1 47 . 10 1 1 A 7 7 PRO CB C 7 31.942 33.102 -1.160 1
1 50 . 10 1 1 A 8 8 VAL H H 8 8.244 8.355 -0.111 1
1 51 . 10 1 1 A 8 8 VAL HA H 8 4.012 3.970 0.042 1
1 59 . 10 1 1 A 8 8 VAL CA C 8 61.883 62.191 -0.308 1
1 60 . 10 1 1 A 8 8 VAL CB C 8 32.743 31.716 1.027 1
1 63 . 10 1 1 A 8 8 VAL N N 8 120.593 118.706 1.887 1
1 64 . 10 1 1 A 9 9 SER H H 9 8.296 8.541 -0.245 1
1 65 . 10 1 1 A 9 9 SER HA H 9 4.315 4.885 -0.570 1
1 68 . 10 1 1 A 9 9 SER CA C 9 57.429 57.464 -0.035 1
1 69 . 10 1 1 A 9 9 SER CB C 9 63.804 65.571 -1.767 1
1 70 . 10 1 1 A 9 9 SER N N 9 118.557 120.373 -1.816 1
1 71 . 10 1 1 A 10 10 ALA H H 10 8.214 8.628 -0.414 1
1 72 . 10 1 1 A 10 10 ALA HA H 10 4.069 4.586 -0.517 1
1 76 . 10 1 1 A 10 10 ALA CA C 10 53.042 51.482 1.560 1
1 77 . 10 1 1 A 10 10 ALA CB C 10 19.919 19.377 0.542 1
1 78 . 10 1 1 A 10 10 ALA N N 10 125.277 122.056 3.221 1
1 79 . 10 1 1 A 11 11 PHE H H 11 8.238 7.785 0.453 1
1 80 . 10 1 1 A 11 11 PHE HA H 11 4.816 4.945 -0.129 1
1 88 . 10 1 1 A 11 11 PHE CA C 11 57.727 56.255 1.472 1
1 89 . 10 1 1 A 11 11 PHE CB C 11 39.854 38.970 0.884 1
1 94 . 10 1 1 A 11 11 PHE N N 11 114.771 118.150 -3.379 1
1 95 . 10 1 1 A 12 12 SER H H 12 8.809 8.835 -0.026 1
1 96 . 10 1 1 A 12 12 SER HA H 12 4.395 4.259 0.136 1
1 99 . 10 1 1 A 12 12 SER CA C 12 58.641 61.170 -2.529 1
1 100 . 10 1 1 A 12 12 SER CB C 12 63.274 63.270 0.004 1
1 101 . 10 1 1 A 12 12 SER N N 12 119.399 121.035 -1.636 1
1 102 . 10 1 1 A 13 13 LYS H H 13 7.884 7.886 -0.002 1
1 103 . 10 1 1 A 13 13 LYS HA H 13 4.575 4.848 -0.273 1
1 112 . 10 1 1 A 13 13 LYS CA C 13 56.362 55.245 1.117 1
1 113 . 10 1 1 A 13 13 LYS CB C 13 35.664 35.227 0.437 1
1 114 . 10 1 1 A 13 13 LYS N N 13 121.565 119.691 1.874 1
1 115 . 10 1 1 A 14 14 LYS H H 14 8.744 8.574 0.170 1
1 116 . 10 1 1 A 14 14 LYS HA H 14 4.313 4.528 -0.215 1
1 123 . 10 1 1 A 14 14 LYS CA C 14 53.374 54.367 -0.993 1
1 124 . 10 1 1 A 14 14 LYS CB C 14 32.741 33.052 -0.311 1
1 127 . 10 1 1 A 14 14 LYS N N 14 125.096 127.761 -2.665 1
1 128 . 10 1 1 A 15 15 PRO HA H 15 4.693 4.882 -0.189 1
1 135 . 10 1 1 A 15 15 PRO CA C 15 62.248 62.335 -0.087 1
1 136 . 10 1 1 A 15 15 PRO CB C 15 31.343 30.074 1.269 1
1 139 . 10 1 1 A 16 16 ARG H H 16 8.118 7.863 0.255 1
1 140 . 10 1 1 A 16 16 ARG HA H 16 4.592 4.341 0.251 1
1 147 . 10 1 1 A 16 16 ARG CA C 16 53.951 56.555 -2.604 1
1 148 . 10 1 1 A 16 16 ARG CB C 16 32.456 30.897 1.559 1
1 151 . 10 1 1 A 16 16 ARG N N 16 119.622 123.644 -4.022 1
1 152 . 10 1 1 A 17 17 SER H H 17 8.511 8.651 -0.140 1
1 153 . 10 1 1 A 17 17 SER HA H 17 5.281 4.654 0.627 1
1 156 . 10 1 1 A 17 17 SER CA C 17 59.888 58.600 1.288 1
1 157 . 10 1 1 A 17 17 SER CB C 17 63.405 64.408 -1.003 1
1 158 . 10 1 1 A 17 17 SER N N 17 117.935 116.004 1.931 1
1 159 . 10 1 1 A 18 18 VAL H H 18 8.389 8.725 -0.336 1
1 160 . 10 1 1 A 18 18 VAL HA H 18 4.660 4.819 -0.159 1
1 168 . 10 1 1 A 18 18 VAL CA C 18 60.004 59.658 0.346 1
1 169 . 10 1 1 A 18 18 VAL CB C 18 36.675 35.876 0.799 1
1 172 . 10 1 1 A 18 18 VAL N N 18 117.416 120.639 -3.223 1
1 173 . 10 1 1 A 19 19 GLU H H 19 8.190 8.750 -0.560 1
1 174 . 10 1 1 A 19 19 GLU HA H 19 5.351 5.520 -0.169 1
1 179 . 10 1 1 A 19 19 GLU CA C 19 54.138 54.787 -0.649 1
1 180 . 10 1 1 A 19 19 GLU CB C 19 31.658 32.785 -1.127 1
1 181 . 10 1 1 A 19 19 GLU N N 19 124.652 125.553 -0.901 1
1 182 . 10 1 1 A 20 20 VAL H H 20 8.616 8.572 0.044 1
1 183 . 10 1 1 A 20 20 VAL HA H 20 4.491 4.733 -0.242 1
1 191 . 10 1 1 A 20 20 VAL CA C 20 59.013 59.513 -0.500 1
1 192 . 10 1 1 A 20 20 VAL CB C 20 36.048 35.749 0.299 1
1 195 . 10 1 1 A 20 20 VAL N N 20 120.245 118.448 1.797 1
1 196 . 10 1 1 A 21 21 ALA H H 21 8.375 8.638 -0.263 1
1 197 . 10 1 1 A 21 21 ALA HA H 21 4.364 4.629 -0.265 1
1 201 . 10 1 1 A 21 21 ALA CA C 21 51.307 51.946 -0.639 1
1 202 . 10 1 1 A 21 21 ALA CB C 21 18.726 19.100 -0.374 1
1 203 . 10 1 1 A 21 21 ALA N N 21 126.173 125.575 0.598 1
1 204 . 10 1 1 A 22 22 ALA H H 22 8.287 8.132 0.155 1
1 205 . 10 1 1 A 22 22 ALA HA H 22 3.899 3.992 -0.093 1
1 209 . 10 1 1 A 22 22 ALA CA C 22 53.104 53.981 -0.877 1
1 210 . 10 1 1 A 22 22 ALA CB C 22 17.631 18.489 -0.858 1
1 211 . 10 1 1 A 22 22 ALA N N 22 123.045 123.317 -0.272 1
1 212 . 10 1 1 A 23 23 GLY H H 23 9.862 8.852 1.010 1
1 213 . 10 1 1 A 23 23 GLY HA2 H 23 3.255 3.987 -0.732 1
1 214 . 10 1 1 A 23 23 GLY HA3 H 23 4.371 3.990 0.381 1
1 215 . 10 1 1 A 23 23 GLY CA C 23 44.741 45.026 -0.285 1
1 216 . 10 1 1 A 23 23 GLY N N 23 112.047 111.314 0.733 1
1 217 . 10 1 1 A 24 24 SER H H 24 7.944 7.927 0.017 1
1 218 . 10 1 1 A 24 24 SER HA H 24 4.750 4.519 0.231 1
1 221 . 10 1 1 A 24 24 SER CA C 24 57.787 56.277 1.510 1
1 222 . 10 1 1 A 24 24 SER CB C 24 63.296 63.720 -0.424 1
1 223 . 10 1 1 A 24 24 SER N N 24 119.405 118.040 1.365 1
1 224 . 10 1 1 A 25 25 PRO HA H 25 5.142 4.692 0.450 1
1 231 . 10 1 1 A 25 25 PRO CA C 25 61.743 62.694 -0.951 1
1 232 . 10 1 1 A 25 25 PRO CB C 25 31.751 32.430 -0.679 1
1 235 . 10 1 1 A 26 26 ALA H H 26 8.688 8.270 0.418 1
1 236 . 10 1 1 A 26 26 ALA HA H 26 4.396 4.853 -0.457 1
1 240 . 10 1 1 A 26 26 ALA CA C 26 49.972 50.742 -0.770 1
1 241 . 10 1 1 A 26 26 ALA CB C 26 22.877 22.289 0.588 1
1 242 . 10 1 1 A 26 26 ALA N N 26 123.024 122.826 0.198 1
1 243 . 10 1 1 A 27 27 VAL H H 27 7.751 8.730 -0.979 1
1 244 . 10 1 1 A 27 27 VAL HA H 27 4.522 5.100 -0.578 1
1 252 . 10 1 1 A 27 27 VAL CA C 27 60.899 58.939 1.960 1
1 253 . 10 1 1 A 27 27 VAL CB C 27 33.331 35.101 -1.770 1
1 255 . 10 1 1 A 27 27 VAL N N 27 121.938 122.212 -0.274 1
1 256 . 10 1 1 A 28 28 PHE H H 28 9.196 9.122 0.074 1
1 257 . 10 1 1 A 28 28 PHE HA H 28 4.561 4.999 -0.438 1
1 265 . 10 1 1 A 28 28 PHE CA C 28 56.051 56.339 -0.288 1
1 266 . 10 1 1 A 28 28 PHE CB C 28 42.218 41.988 0.230 1
1 271 . 10 1 1 A 28 28 PHE N N 28 126.818 125.936 0.882 1
1 272 . 10 1 1 A 29 29 GLU H H 29 8.583 9.070 -0.487 1
1 273 . 10 1 1 A 29 29 GLU HA H 29 5.405 4.864 0.541 1
1 278 . 10 1 1 A 29 29 GLU CA C 29 54.508 56.039 -1.531 1
1 279 . 10 1 1 A 29 29 GLU CB C 29 33.692 31.215 2.477 1
1 280 . 10 1 1 A 29 29 GLU N N 29 120.733 124.379 -3.646 1
1 281 . 10 1 1 A 30 30 ALA H H 30 9.484 9.535 -0.051 1
1 282 . 10 1 1 A 30 30 ALA HA H 30 4.691 5.350 -0.659 1
1 286 . 10 1 1 A 30 30 ALA CA C 30 49.421 50.842 -1.421 1
1 287 . 10 1 1 A 30 30 ALA CB C 30 23.523 21.917 1.606 1
1 288 . 10 1 1 A 30 30 ALA N N 30 124.341 129.282 -4.941 1
1 289 . 10 1 1 A 31 31 GLU H H 31 9.001 9.480 -0.479 1
1 290 . 10 1 1 A 31 31 GLU HA H 31 6.016 5.132 0.884 1
1 295 . 10 1 1 A 31 31 GLU CA C 31 54.301 55.305 -1.004 1
1 296 . 10 1 1 A 31 31 GLU CB C 31 33.336 32.273 1.063 1
1 298 . 10 1 1 A 31 31 GLU N N 31 120.169 124.148 -3.979 1
1 299 . 10 1 1 A 32 32 THR H H 32 9.330 8.884 0.446 1
1 300 . 10 1 1 A 32 32 THR HA H 32 4.842 4.407 0.435 1
1 305 . 10 1 1 A 32 32 THR CA C 32 59.738 59.738 0.000 1
1 306 . 10 1 1 A 32 32 THR CB C 32 69.791 71.188 -1.397 1
1 308 . 10 1 1 A 32 32 THR N N 32 115.538 116.598 -1.060 1
1 309 . 10 1 1 A 33 33 GLU H H 33 7.950 8.800 -0.850 1
1 310 . 10 1 1 A 33 33 GLU HA H 33 3.944 4.501 -0.557 1
1 315 . 10 1 1 A 33 33 GLU CA C 33 58.563 57.268 1.295 1
1 316 . 10 1 1 A 33 33 GLU CB C 33 29.836 30.195 -0.359 1
1 318 . 10 1 1 A 33 33 GLU N N 33 119.723 122.038 -2.315 1
1 319 . 10 1 1 A 34 34 ARG H H 34 7.791 7.449 0.342 1
1 320 . 10 1 1 A 34 34 ARG HA H 34 4.490 5.004 -0.514 1
1 327 . 10 1 1 A 34 34 ARG CA C 34 53.485 54.324 -0.839 1
1 328 . 10 1 1 A 34 34 ARG CB C 34 32.411 33.880 -1.469 1
1 331 . 10 1 1 A 34 34 ARG N N 34 113.251 120.065 -6.814 1
1 332 . 10 1 1 A 35 35 ALA H H 35 8.614 8.545 0.069 1
1 333 . 10 1 1 A 35 35 ALA HA H 35 4.050 4.607 -0.557 1
1 337 . 10 1 1 A 35 35 ALA CA C 35 51.762 52.196 -0.434 1
1 338 . 10 1 1 A 35 35 ALA N N 35 125.041 126.267 -1.226 1
1 339 . 10 1 1 A 36 36 GLY H H 36 8.647 8.950 -0.303 1
1 340 . 10 1 1 A 36 36 GLY HA2 H 36 3.634 3.999 -0.365 1
1 341 . 10 1 1 A 36 36 GLY HA3 H 36 3.960 4.011 -0.051 1
1 342 . 10 1 1 A 36 36 GLY CA C 36 45.703 45.002 0.701 1
1 343 . 10 1 1 A 36 36 GLY N N 36 108.031 110.715 -2.684 1
1 344 . 10 1 1 A 37 37 VAL H H 37 7.077 7.824 -0.747 1
1 345 . 10 1 1 A 37 37 VAL HA H 37 3.869 4.178 -0.309 1
1 353 . 10 1 1 A 37 37 VAL CA C 37 61.469 61.982 -0.513 1
1 354 . 10 1 1 A 37 37 VAL CB C 37 32.942 32.755 0.187 1
1 357 . 10 1 1 A 37 37 VAL N N 37 119.457 119.205 0.252 1
1 358 . 10 1 1 A 38 38 LYS H H 38 8.467 8.457 0.010 1
1 359 . 10 1 1 A 38 38 LYS HA H 38 4.267 4.764 -0.497 1
1 366 . 10 1 1 A 38 38 LYS CA C 38 55.873 54.921 0.952 1
1 367 . 10 1 1 A 38 38 LYS CB C 38 30.881 33.618 -2.737 1
1 370 . 10 1 1 A 38 38 LYS N N 38 128.214 123.762 4.452 1
1 371 . 10 1 1 A 39 39 VAL H H 39 7.993 8.251 -0.258 1
1 372 . 10 1 1 A 39 39 VAL HA H 39 4.537 3.843 0.694 1
1 380 . 10 1 1 A 39 39 VAL CA C 39 60.114 62.633 -2.519 1
1 381 . 10 1 1 A 39 39 VAL CB C 39 33.719 30.838 2.881 1
1 384 . 10 1 1 A 39 39 VAL N N 39 123.133 126.736 -3.603 1
1 385 . 10 1 1 A 40 40 ARG H H 40 8.507 8.702 -0.195 1
1 386 . 10 1 1 A 40 40 ARG HA H 40 4.503 4.801 -0.298 1
1 393 . 10 1 1 A 40 40 ARG CA C 40 54.098 55.141 -1.043 1
1 394 . 10 1 1 A 40 40 ARG CB C 40 33.701 31.468 2.233 1
1 397 . 10 1 1 A 40 40 ARG N N 40 124.492 127.674 -3.182 1
1 398 . 10 1 1 A 41 41 TRP H H 41 9.083 8.995 0.088 1
1 399 . 10 1 1 A 41 41 TRP HA H 41 5.311 5.397 -0.086 1
1 408 . 10 1 1 A 41 41 TRP CA C 41 55.134 56.050 -0.916 1
1 409 . 10 1 1 A 41 41 TRP CB C 41 31.370 32.318 -0.948 1
1 413 . 10 1 1 A 41 41 TRP N N 41 123.367 126.418 -3.051 1
1 415 . 10 1 1 A 42 42 GLN H H 42 9.532 8.945 0.587 1
1 416 . 10 1 1 A 42 42 GLN HA H 42 5.159 4.703 0.456 1
1 423 . 10 1 1 A 42 42 GLN CA C 42 54.445 54.861 -0.416 1
1 424 . 10 1 1 A 42 42 GLN CB C 42 34.775 32.884 1.891 1
1 426 . 10 1 1 A 42 42 GLN N N 42 118.692 121.118 -2.426 1
1 427 . 10 1 1 A 43 43 ARG H H 43 8.209 8.906 -0.697 1
1 428 . 10 1 1 A 43 43 ARG HA H 43 4.039 4.205 -0.166 1
1 435 . 10 1 1 A 43 43 ARG CA C 43 54.790 54.666 0.124 1
1 436 . 10 1 1 A 43 43 ARG CB C 43 32.202 31.711 0.491 1
1 439 . 10 1 1 A 43 43 ARG N N 43 119.579 126.614 -7.035 1
1 440 . 10 1 1 A 46 46 SER H H 46 7.513 7.731 -0.218 1
1 441 . 10 1 1 A 46 46 SER HA H 46 4.674 4.733 -0.059 1
1 444 . 10 1 1 A 46 46 SER CA C 46 56.766 56.892 -0.126 1
1 445 . 10 1 1 A 46 46 SER CB C 46 64.815 64.719 0.096 1
1 446 . 10 1 1 A 46 46 SER N N 46 114.927 116.081 -1.154 1
1 447 . 10 1 1 A 47 47 ASP H H 47 8.698 8.666 0.032 1
1 448 . 10 1 1 A 47 47 ASP HA H 47 4.830 4.566 0.264 1
1 451 . 10 1 1 A 47 47 ASP CA C 47 55.177 53.974 1.203 1
1 452 . 10 1 1 A 47 47 ASP CB C 47 40.385 40.995 -0.610 1
1 453 . 10 1 1 A 47 47 ASP N N 47 125.553 125.651 -0.098 1
1 454 . 10 1 1 A 48 48 ILE H H 48 8.781 8.651 0.130 1
1 455 . 10 1 1 A 48 48 ILE HA H 48 3.879 4.779 -0.900 1
1 465 . 10 1 1 A 48 48 ILE CA C 48 61.218 59.650 1.568 1
1 466 . 10 1 1 A 48 48 ILE CB C 48 39.345 40.460 -1.115 1
1 470 . 10 1 1 A 48 48 ILE N N 48 124.032 121.383 2.649 1
1 471 . 10 1 1 A 49 49 SER H H 49 7.963 8.556 -0.593 1
1 472 . 10 1 1 A 49 49 SER HA H 49 4.681 4.810 -0.129 1
1 475 . 10 1 1 A 49 49 SER CA C 49 56.256 56.876 -0.620 1
1 476 . 10 1 1 A 49 49 SER CB C 49 65.243 66.020 -0.777 1
1 477 . 10 1 1 A 49 49 SER N N 49 121.077 118.458 2.619 1
1 478 . 10 1 1 A 50 50 ALA H H 50 8.516 8.419 0.097 1
1 479 . 10 1 1 A 50 50 ALA HA H 50 4.302 4.583 -0.281 1
1 483 . 10 1 1 A 50 50 ALA CA C 50 53.052 52.173 0.879 1
1 484 . 10 1 1 A 50 50 ALA CB C 50 18.821 18.182 0.639 1
1 485 . 10 1 1 A 50 50 ALA N N 50 123.977 125.972 -1.995 1
1 486 . 10 1 1 A 51 51 SER H H 51 9.564 8.261 1.303 1
1 487 . 10 1 1 A 51 51 SER HA H 51 4.797 4.852 -0.055 1
1 490 . 10 1 1 A 51 51 SER CA C 51 56.946 57.378 -0.432 1
1 491 . 10 1 1 A 51 51 SER CB C 51 65.759 66.160 -0.401 1
1 492 . 10 1 1 A 51 51 SER N N 51 117.545 117.359 0.186 1
1 494 . 10 1 1 A 52 52 ASN CA C 52 55.930 54.490 1.440 1
1 495 . 10 1 1 A 52 52 ASN CB C 52 37.045 38.381 -1.336 1
1 496 . 10 1 1 A 53 53 LYS H H 53 8.053 8.759 -0.706 1
1 497 . 10 1 1 A 53 53 LYS HA H 53 3.995 4.075 -0.080 1
1 506 . 10 1 1 A 53 53 LYS CA C 53 53.699 57.693 -3.994 1
1 507 . 10 1 1 A 53 53 LYS CB C 53 33.687 32.056 1.631 1
1 511 . 10 1 1 A 53 53 LYS N N 53 121.638 124.603 -2.965 1
1 512 . 10 1 1 A 54 54 TYR H H 54 6.779 7.823 -1.044 1
1 513 . 10 1 1 A 54 54 TYR HA H 54 5.484 5.285 0.199 1
1 520 . 10 1 1 A 54 54 TYR CA C 54 55.016 56.592 -1.576 1
1 521 . 10 1 1 A 54 54 TYR CB C 54 40.147 43.484 -3.337 1
1 526 . 10 1 1 A 54 54 TYR N N 54 114.754 119.342 -4.588 1
1 527 . 10 1 1 A 55 55 GLY H H 55 9.666 8.251 1.415 1
1 528 . 10 1 1 A 55 55 GLY HA2 H 55 4.653 4.253 0.400 1
1 529 . 10 1 1 A 55 55 GLY HA3 H 55 3.343 4.264 -0.921 1
1 530 . 10 1 1 A 55 55 GLY CA C 55 44.332 45.309 -0.977 1
1 531 . 10 1 1 A 55 55 GLY N N 55 110.691 108.484 2.207 1
1 532 . 10 1 1 A 56 56 LEU H H 56 8.542 8.979 -0.437 1
1 533 . 10 1 1 A 56 56 LEU HA H 56 5.138 4.925 0.213 1
1 543 . 10 1 1 A 56 56 LEU CA C 56 54.213 53.704 0.509 1
1 544 . 10 1 1 A 56 56 LEU CB C 56 45.206 43.170 2.036 1
1 548 . 10 1 1 A 56 56 LEU N N 56 125.972 127.120 -1.148 1
1 549 . 10 1 1 A 57 57 ALA H H 57 8.594 8.805 -0.211 1
1 550 . 10 1 1 A 57 57 ALA HA H 57 4.790 4.926 -0.136 1
1 554 . 10 1 1 A 57 57 ALA CA C 57 51.318 50.957 0.361 1
1 555 . 10 1 1 A 57 57 ALA CB C 57 22.564 20.390 2.174 1
1 556 . 10 1 1 A 57 57 ALA N N 57 124.534 125.676 -1.142 1
1 557 . 10 1 1 A 58 58 THR H H 58 8.602 9.059 -0.457 1
1 558 . 10 1 1 A 58 58 THR HA H 58 4.862 4.981 -0.119 1
1 563 . 10 1 1 A 58 58 THR CA C 58 62.034 59.769 2.265 1
1 564 . 10 1 1 A 58 58 THR CB C 58 72.197 71.508 0.689 1
1 566 . 10 1 1 A 58 58 THR N N 58 119.396 119.004 0.392 1
1 567 . 10 1 1 A 59 59 GLU H H 59 8.883 8.583 0.300 1
1 568 . 10 1 1 A 59 59 GLU HA H 59 4.378 4.484 -0.106 1
1 573 . 10 1 1 A 59 59 GLU CA C 59 54.955 54.932 0.023 1
1 574 . 10 1 1 A 59 59 GLU CB C 59 31.121 30.395 0.726 1
1 576 . 10 1 1 A 59 59 GLU N N 59 128.594 127.628 0.966 1
1 577 . 10 1 1 A 60 60 GLY H H 60 9.045 8.865 0.180 1
1 578 . 10 1 1 A 60 60 GLY HA2 H 60 4.081 3.851 0.230 1
1 579 . 10 1 1 A 60 60 GLY HA3 H 60 3.529 3.851 -0.322 1
1 580 . 10 1 1 A 60 60 GLY CA C 60 47.127 47.208 -0.081 1
1 581 . 10 1 1 A 60 60 GLY N N 60 117.047 115.649 1.398 1
1 582 . 10 1 1 A 61 61 THR H H 61 8.332 8.629 -0.297 1
1 583 . 10 1 1 A 61 61 THR HA H 61 4.129 4.426 -0.297 1
1 588 . 10 1 1 A 61 61 THR CA C 61 61.659 62.548 -0.889 1
1 589 . 10 1 1 A 61 61 THR CB C 61 68.477 70.116 -1.639 1
1 591 . 10 1 1 A 61 61 THR N N 61 118.086 119.521 -1.435 1
1 592 . 10 1 1 A 62 62 ARG H H 62 7.906 7.381 0.525 1
1 593 . 10 1 1 A 62 62 ARG HA H 62 4.754 4.782 -0.028 1
1 600 . 10 1 1 A 62 62 ARG CA C 62 56.040 55.319 0.721 1
1 601 . 10 1 1 A 62 62 ARG CB C 62 31.775 30.910 0.865 1
1 604 . 10 1 1 A 62 62 ARG N N 62 121.911 122.305 -0.394 1
1 605 . 10 1 1 A 63 63 HIS H H 63 9.212 9.492 -0.280 1
1 606 . 10 1 1 A 63 63 HIS HA H 63 5.364 5.282 0.082 1
1 611 . 10 1 1 A 63 63 HIS CA C 63 55.066 55.199 -0.133 1
1 612 . 10 1 1 A 63 63 HIS CB C 63 33.860 32.804 1.056 1
1 614 . 10 1 1 A 63 63 HIS N N 63 127.111 122.899 4.212 1
1 615 . 10 1 1 A 64 64 THR H H 64 9.261 8.864 0.397 1
1 616 . 10 1 1 A 64 64 THR HA H 64 5.510 5.265 0.245 1
1 621 . 10 1 1 A 64 64 THR CA C 64 60.691 61.542 -0.851 1
1 622 . 10 1 1 A 64 64 THR CB C 64 71.788 71.659 0.129 1
1 624 . 10 1 1 A 64 64 THR N N 64 117.400 114.513 2.887 1
1 625 . 10 1 1 A 65 65 LEU H H 65 8.456 8.770 -0.314 1
1 626 . 10 1 1 A 65 65 LEU HA H 65 4.642 4.654 -0.012 1
1 636 . 10 1 1 A 65 65 LEU CA C 65 52.783 53.023 -0.240 1
1 637 . 10 1 1 A 65 65 LEU CB C 65 41.350 43.085 -1.735 1
1 641 . 10 1 1 A 65 65 LEU N N 65 129.806 129.918 -0.112 1
1 642 . 10 1 1 A 66 66 THR H H 66 9.381 8.990 0.391 1
1 643 . 10 1 1 A 66 66 THR HA H 66 4.975 4.725 0.250 1
1 648 . 10 1 1 A 66 66 THR CA C 66 61.072 62.169 -1.097 1
1 649 . 10 1 1 A 66 66 THR CB C 66 70.346 70.119 0.227 1
1 651 . 10 1 1 A 66 66 THR N N 66 123.110 124.348 -1.238 1
1 652 . 10 1 1 A 67 67 VAL H H 67 9.493 9.164 0.329 1
1 653 . 10 1 1 A 67 67 VAL HA H 67 4.317 4.597 -0.280 1
1 661 . 10 1 1 A 67 67 VAL CA C 67 61.300 61.696 -0.396 1
1 662 . 10 1 1 A 67 67 VAL CB C 67 31.636 34.214 -2.578 1
1 665 . 10 1 1 A 67 67 VAL N N 67 128.451 126.713 1.738 1
1 666 . 10 1 1 A 68 68 ARG H H 68 8.500 8.633 -0.133 1
1 667 . 10 1 1 A 68 68 ARG HA H 68 3.839 4.340 -0.501 1
1 674 . 10 1 1 A 68 68 ARG CA C 68 57.379 56.845 0.534 1
1 675 . 10 1 1 A 68 68 ARG CB C 68 30.481 30.595 -0.114 1
1 678 . 10 1 1 A 68 68 ARG N N 68 124.308 127.008 -2.700 1
1 679 . 10 1 1 A 69 69 GLU H H 69 8.545 7.973 0.572 1
1 680 . 10 1 1 A 69 69 GLU HA H 69 3.147 4.352 -1.205 1
1 685 . 10 1 1 A 69 69 GLU CA C 69 55.733 57.425 -1.692 1
1 686 . 10 1 1 A 69 69 GLU CB C 69 28.793 29.599 -0.806 1
1 688 . 10 1 1 A 69 69 GLU N N 69 118.177 118.938 -0.761 1
1 689 . 10 1 1 A 70 70 VAL H H 70 7.771 7.279 0.492 1
1 690 . 10 1 1 A 70 70 VAL HA H 70 3.810 3.969 -0.159 1
1 698 . 10 1 1 A 70 70 VAL CA C 70 63.848 62.660 1.188 1
1 699 . 10 1 1 A 70 70 VAL CB C 70 31.885 32.229 -0.344 1
1 702 . 10 1 1 A 70 70 VAL N N 70 117.579 120.815 -3.236 1
1 703 . 10 1 1 A 71 71 GLY H H 71 9.389 8.330 1.059 1
1 704 . 10 1 1 A 71 71 GLY HA2 H 71 4.470 4.221 0.249 1
1 705 . 10 1 1 A 71 71 GLY HA3 H 71 3.895 4.227 -0.332 1
1 706 . 10 1 1 A 71 71 GLY CA C 71 43.915 45.563 -1.648 1
1 707 . 10 1 1 A 71 71 GLY N N 71 114.169 114.230 -0.061 1
1 708 . 10 1 1 A 72 72 PRO HA H 72 4.038 4.440 -0.402 1
1 715 . 10 1 1 A 72 72 PRO CA C 72 65.800 64.615 1.185 1
1 716 . 10 1 1 A 72 72 PRO CB C 72 31.553 31.794 -0.241 1
1 719 . 10 1 1 A 73 73 ALA H H 73 8.558 8.332 0.226 1
1 720 . 10 1 1 A 73 73 ALA HA H 73 4.186 4.295 -0.109 1
1 724 . 10 1 1 A 73 73 ALA CA C 73 53.826 53.523 0.303 1
1 725 . 10 1 1 A 73 73 ALA CB C 73 18.152 19.162 -1.010 1
1 726 . 10 1 1 A 73 73 ALA N N 73 118.164 119.854 -1.690 1
1 727 . 10 1 1 A 74 74 ASP H H 74 8.381 7.745 0.636 1
1 728 . 10 1 1 A 74 74 ASP HA H 74 4.586 4.641 -0.055 1
1 731 . 10 1 1 A 74 74 ASP CA C 74 55.178 54.395 0.783 1
1 732 . 10 1 1 A 74 74 ASP CB C 74 42.280 41.283 0.997 1
1 733 . 10 1 1 A 74 74 ASP N N 74 113.856 116.810 -2.954 1
1 734 . 10 1 1 A 75 75 GLN H H 75 7.409 7.810 -0.401 1
1 735 . 10 1 1 A 75 75 GLN HA H 75 4.252 4.476 -0.224 1
1 740 . 10 1 1 A 75 75 GLN CA C 75 56.682 55.080 1.602 1
1 741 . 10 1 1 A 75 75 GLN CB C 75 30.337 27.502 2.835 1
1 743 . 10 1 1 A 75 75 GLN N N 75 119.456 121.133 -1.677 1
1 744 . 10 1 1 A 76 76 GLY H H 76 8.984 8.475 0.509 1
1 745 . 10 1 1 A 76 76 GLY HA2 H 76 4.610 4.120 0.490 1
1 746 . 10 1 1 A 76 76 GLY HA3 H 76 3.863 4.140 -0.277 1
1 747 . 10 1 1 A 76 76 GLY CA C 76 44.149 45.632 -1.483 1
1 748 . 10 1 1 A 76 76 GLY N N 76 112.000 113.402 -1.402 1
1 749 . 10 1 1 A 77 77 SER H H 77 8.106 8.684 -0.578 1
1 750 . 10 1 1 A 77 77 SER HA H 77 5.009 5.473 -0.464 1
1 753 . 10 1 1 A 77 77 SER CA C 77 58.199 56.309 1.890 1
1 754 . 10 1 1 A 77 77 SER CB C 77 64.099 65.914 -1.815 1
1 755 . 10 1 1 A 77 77 SER N N 77 114.587 116.616 -2.029 1
1 756 . 10 1 1 A 78 78 TYR H H 78 9.056 8.996 0.060 1
1 757 . 10 1 1 A 78 78 TYR HA H 78 4.530 4.909 -0.379 1
1 764 . 10 1 1 A 78 78 TYR CA C 78 56.450 56.431 0.019 1
1 765 . 10 1 1 A 78 78 TYR CB C 78 43.805 39.291 4.514 1
1 770 . 10 1 1 A 78 78 TYR N N 78 127.751 123.342 4.409 1
1 771 . 10 1 1 A 79 79 ALA H H 79 8.558 8.534 0.024 1
1 772 . 10 1 1 A 79 79 ALA HA H 79 5.233 5.197 0.036 1
1 776 . 10 1 1 A 79 79 ALA CA C 79 50.806 50.054 0.752 1
1 777 . 10 1 1 A 79 79 ALA CB C 79 23.130 22.493 0.637 1
1 778 . 10 1 1 A 79 79 ALA N N 79 118.647 124.021 -5.374 1
1 779 . 10 1 1 A 80 80 VAL H H 80 8.717 8.578 0.139 1
1 780 . 10 1 1 A 80 80 VAL HA H 80 4.905 4.583 0.322 1
1 788 . 10 1 1 A 80 80 VAL CA C 80 58.760 60.143 -1.383 1
1 789 . 10 1 1 A 80 80 VAL CB C 80 35.087 34.787 0.300 1
1 792 . 10 1 1 A 80 80 VAL N N 80 118.846 118.143 0.703 1
1 793 . 10 1 1 A 81 81 ILE H H 81 8.739 8.932 -0.193 1
1 794 . 10 1 1 A 81 81 ILE HA H 81 5.012 5.180 -0.168 1
1 804 . 10 1 1 A 81 81 ILE CA C 81 59.751 59.748 0.003 1
1 805 . 10 1 1 A 81 81 ILE CB C 81 42.030 41.065 0.965 1
1 809 . 10 1 1 A 81 81 ILE N N 81 126.232 129.202 -2.970 1
1 810 . 10 1 1 A 82 82 ALA H H 82 8.388 8.591 -0.203 1
1 811 . 10 1 1 A 82 82 ALA HA H 82 4.449 4.481 -0.032 1
1 815 . 10 1 1 A 82 82 ALA CA C 82 50.839 50.805 0.034 1
1 816 . 10 1 1 A 82 82 ALA CB C 82 21.160 20.184 0.976 1
1 817 . 10 1 1 A 82 82 ALA N N 82 128.273 127.503 0.770 1
1 818 . 10 1 1 A 83 83 GLY H H 83 8.841 8.965 -0.124 1
1 819 . 10 1 1 A 83 83 GLY HA2 H 83 3.815 3.825 -0.010 1
1 820 . 10 1 1 A 83 83 GLY HA3 H 83 3.509 3.833 -0.324 1
1 821 . 10 1 1 A 83 83 GLY CA C 83 46.917 47.296 -0.379 1
1 822 . 10 1 1 A 83 83 GLY N N 83 113.065 115.485 -2.420 1
1 823 . 10 1 1 A 85 85 SER H H 85 8.423 7.325 1.098 1
1 824 . 10 1 1 A 85 85 SER HA H 85 4.659 4.432 0.227 1
1 827 . 10 1 1 A 85 85 SER CA C 85 58.485 58.715 -0.230 1
1 828 . 10 1 1 A 85 85 SER CB C 85 64.397 63.933 0.464 1
1 829 . 10 1 1 A 85 85 SER N N 85 119.428 117.659 1.769 1
1 830 . 10 1 1 A 86 86 LYS H H 86 8.490 8.474 0.016 1
1 831 . 10 1 1 A 86 86 LYS HA H 86 5.243 5.078 0.165 1
1 840 . 10 1 1 A 86 86 LYS CA C 86 54.822 54.702 0.120 1
1 841 . 10 1 1 A 86 86 LYS CB C 86 35.340 35.771 -0.431 1
1 845 . 10 1 1 A 86 86 LYS N N 86 125.678 126.270 -0.592 1
1 846 . 10 1 1 A 87 87 VAL H H 87 8.863 8.561 0.302 1
1 847 . 10 1 1 A 87 87 VAL HA H 87 4.300 4.783 -0.483 1
1 855 . 10 1 1 A 87 87 VAL CA C 87 60.870 58.759 2.111 1
1 856 . 10 1 1 A 87 87 VAL CB C 87 34.228 35.471 -1.243 1
1 859 . 10 1 1 A 87 87 VAL N N 87 126.631 119.935 6.696 1
1 860 . 10 1 1 A 88 88 LYS H H 88 8.475 8.662 -0.187 1
1 861 . 10 1 1 A 88 88 LYS HA H 88 5.065 4.867 0.198 1
1 870 . 10 1 1 A 88 88 LYS CA C 88 55.124 54.537 0.587 1
1 871 . 10 1 1 A 88 88 LYS CB C 88 34.479 36.814 -2.335 1
1 874 . 10 1 1 A 88 88 LYS N N 88 125.592 122.374 3.218 1
1 875 . 10 1 1 A 89 89 PHE H H 89 8.152 8.287 -0.135 1
1 876 . 10 1 1 A 89 89 PHE HA H 89 4.601 5.540 -0.939 1
1 884 . 10 1 1 A 89 89 PHE CA C 89 56.311 55.264 1.047 1
1 885 . 10 1 1 A 89 89 PHE CB C 89 39.383 42.265 -2.882 1
1 888 . 10 1 1 A 89 89 PHE N N 89 119.005 118.626 0.379 1
1 889 . 10 1 1 A 90 90 ASP H H 90 9.006 9.013 -0.007 1
1 890 . 10 1 1 A 90 90 ASP HA H 90 5.565 5.263 0.302 1
1 893 . 10 1 1 A 90 90 ASP CA C 90 53.532 54.079 -0.547 1
1 894 . 10 1 1 A 90 90 ASP CB C 90 45.151 42.835 2.316 1
1 895 . 10 1 1 A 90 90 ASP N N 90 118.742 120.164 -1.422 1
1 896 . 10 1 1 A 91 91 LEU H H 91 8.733 9.151 -0.418 1
1 897 . 10 1 1 A 91 91 LEU HA H 91 5.137 5.252 -0.115 1
1 907 . 10 1 1 A 91 91 LEU CA C 91 54.171 53.738 0.433 1
1 908 . 10 1 1 A 91 91 LEU CB C 91 45.625 44.774 0.851 1
1 911 . 10 1 1 A 91 91 LEU N N 91 121.344 126.301 -4.957 1
1 912 . 10 1 1 A 92 92 LYS H H 92 8.892 8.619 0.273 1
1 913 . 10 1 1 A 92 92 LYS HA H 92 4.733 4.672 0.061 1
1 922 . 10 1 1 A 92 92 LYS CA C 92 54.910 56.240 -1.330 1
1 923 . 10 1 1 A 92 92 LYS CB C 92 35.261 33.647 1.614 1
1 927 . 10 1 1 A 92 92 LYS N N 92 128.486 127.155 1.331 1
1 928 . 10 1 1 A 93 93 VAL H H 93 8.563 8.572 -0.009 1
1 929 . 10 1 1 A 93 93 VAL HA H 93 4.818 5.215 -0.397 1
1 937 . 10 1 1 A 93 93 VAL CA C 93 60.568 61.002 -0.434 1
1 938 . 10 1 1 A 93 93 VAL CB C 93 33.024 34.618 -1.594 1
1 941 . 10 1 1 A 93 93 VAL N N 93 124.459 121.550 2.909 1
1 942 . 10 1 1 A 94 94 ILE H H 94 8.395 8.836 -0.441 1
1 943 . 10 1 1 A 94 94 ILE HA H 94 4.162 4.687 -0.525 1
1 953 . 10 1 1 A 94 94 ILE CA C 94 60.238 59.889 0.349 1
1 954 . 10 1 1 A 94 94 ILE CB C 94 39.279 39.892 -0.613 1
1 958 . 10 1 1 A 94 94 ILE N N 94 126.433 127.303 -0.870 1
1 1 . 11 1 1 A 3 3 PRO HA H 3 4.235 4.531 -0.296 1
1 8 . 11 1 1 A 3 3 PRO CA C 3 63.375 62.280 1.095 1
1 9 . 11 1 1 A 3 3 PRO CB C 3 31.835 33.243 -1.408 1
1 11 . 11 1 1 A 4 4 GLY H H 4 8.439 8.167 0.272 1
1 12 . 11 1 1 A 4 4 GLY HA2 H 4 3.854 3.814 0.040 1
1 13 . 11 1 1 A 4 4 GLY HA3 H 4 3.819 3.814 0.005 1
1 14 . 11 1 1 A 4 4 GLY CA C 4 45.043 46.888 -1.845 1
1 15 . 11 1 1 A 4 4 GLY N N 4 108.904 106.403 2.501 1
1 16 . 11 1 1 A 5 5 LYS H H 5 7.974 7.807 0.167 1
1 17 . 11 1 1 A 5 5 LYS HA H 5 4.265 4.511 -0.246 1
1 26 . 11 1 1 A 5 5 LYS CA C 5 55.709 54.941 0.768 1
1 27 . 11 1 1 A 5 5 LYS CB C 5 33.081 32.591 0.490 1
1 31 . 11 1 1 A 5 5 LYS N N 5 120.616 118.681 1.935 1
1 32 . 11 1 1 A 6 6 LYS H H 6 8.291 8.404 -0.113 1
1 33 . 11 1 1 A 6 6 LYS HA H 6 4.505 4.333 0.172 1
1 36 . 11 1 1 A 6 6 LYS CA C 6 54.105 55.286 -1.181 1
1 37 . 11 1 1 A 6 6 LYS CB C 6 32.381 32.356 0.025 1
1 38 . 11 1 1 A 6 6 LYS N N 6 124.267 124.551 -0.284 1
1 39 . 11 1 1 A 7 7 PRO HA H 7 4.371 4.486 -0.115 1
1 46 . 11 1 1 A 7 7 PRO CA C 7 62.738 62.665 0.073 1
1 47 . 11 1 1 A 7 7 PRO CB C 7 31.942 32.051 -0.109 1
1 50 . 11 1 1 A 8 8 VAL H H 8 8.244 8.353 -0.109 1
1 51 . 11 1 1 A 8 8 VAL HA H 8 4.012 4.005 0.007 1
1 59 . 11 1 1 A 8 8 VAL CA C 8 61.883 62.256 -0.373 1
1 60 . 11 1 1 A 8 8 VAL CB C 8 32.743 30.638 2.105 1
1 63 . 11 1 1 A 8 8 VAL N N 8 120.593 123.160 -2.567 1
1 64 . 11 1 1 A 9 9 SER H H 9 8.296 8.786 -0.490 1
1 65 . 11 1 1 A 9 9 SER HA H 9 4.315 4.979 -0.664 1
1 68 . 11 1 1 A 9 9 SER CA C 9 57.429 56.721 0.708 1
1 69 . 11 1 1 A 9 9 SER CB C 9 63.804 65.376 -1.572 1
1 70 . 11 1 1 A 9 9 SER N N 9 118.557 122.759 -4.202 1
1 71 . 11 1 1 A 10 10 ALA H H 10 8.214 8.565 -0.351 1
1 72 . 11 1 1 A 10 10 ALA HA H 10 4.069 4.663 -0.594 1
1 76 . 11 1 1 A 10 10 ALA CA C 10 53.042 51.264 1.778 1
1 77 . 11 1 1 A 10 10 ALA CB C 10 19.919 19.924 -0.005 1
1 78 . 11 1 1 A 10 10 ALA N N 10 125.277 125.334 -0.057 1
1 79 . 11 1 1 A 11 11 PHE H H 11 8.238 7.812 0.426 1
1 80 . 11 1 1 A 11 11 PHE HA H 11 4.816 4.949 -0.133 1
1 88 . 11 1 1 A 11 11 PHE CA C 11 57.727 56.298 1.429 1
1 89 . 11 1 1 A 11 11 PHE CB C 11 39.854 38.910 0.944 1
1 94 . 11 1 1 A 11 11 PHE N N 11 114.771 118.156 -3.385 1
1 95 . 11 1 1 A 12 12 SER H H 12 8.809 8.875 -0.066 1
1 96 . 11 1 1 A 12 12 SER HA H 12 4.395 4.243 0.152 1
1 99 . 11 1 1 A 12 12 SER CA C 12 58.641 61.998 -3.357 1
1 100 . 11 1 1 A 12 12 SER CB C 12 63.274 62.853 0.421 1
1 101 . 11 1 1 A 12 12 SER N N 12 119.399 121.727 -2.328 1
1 102 . 11 1 1 A 13 13 LYS H H 13 7.884 7.923 -0.039 1
1 103 . 11 1 1 A 13 13 LYS HA H 13 4.575 4.869 -0.294 1
1 112 . 11 1 1 A 13 13 LYS CA C 13 56.362 55.214 1.148 1
1 113 . 11 1 1 A 13 13 LYS CB C 13 35.664 35.166 0.498 1
1 114 . 11 1 1 A 13 13 LYS N N 13 121.565 120.466 1.099 1
1 115 . 11 1 1 A 14 14 LYS H H 14 8.744 8.542 0.202 1
1 116 . 11 1 1 A 14 14 LYS HA H 14 4.313 4.558 -0.245 1
1 123 . 11 1 1 A 14 14 LYS CA C 14 53.374 54.356 -0.982 1
1 124 . 11 1 1 A 14 14 LYS CB C 14 32.741 33.042 -0.301 1
1 127 . 11 1 1 A 14 14 LYS N N 14 125.096 127.950 -2.854 1
1 128 . 11 1 1 A 15 15 PRO HA H 15 4.693 4.751 -0.058 1
1 135 . 11 1 1 A 15 15 PRO CA C 15 62.248 62.641 -0.393 1
1 136 . 11 1 1 A 15 15 PRO CB C 15 31.343 31.250 0.093 1
1 139 . 11 1 1 A 16 16 ARG H H 16 8.118 8.287 -0.169 1
1 140 . 11 1 1 A 16 16 ARG HA H 16 4.592 4.477 0.115 1
1 147 . 11 1 1 A 16 16 ARG CA C 16 53.951 56.262 -2.311 1
1 148 . 11 1 1 A 16 16 ARG CB C 16 32.456 30.788 1.668 1
1 151 . 11 1 1 A 16 16 ARG N N 16 119.622 123.810 -4.188 1
1 152 . 11 1 1 A 17 17 SER H H 17 8.511 8.680 -0.169 1
1 153 . 11 1 1 A 17 17 SER HA H 17 5.281 4.621 0.660 1
1 156 . 11 1 1 A 17 17 SER CA C 17 59.888 58.775 1.113 1
1 157 . 11 1 1 A 17 17 SER CB C 17 63.405 64.272 -0.867 1
1 158 . 11 1 1 A 17 17 SER N N 17 117.935 116.813 1.122 1
1 159 . 11 1 1 A 18 18 VAL H H 18 8.389 8.682 -0.293 1
1 160 . 11 1 1 A 18 18 VAL HA H 18 4.660 4.791 -0.131 1
1 168 . 11 1 1 A 18 18 VAL CA C 18 60.004 60.404 -0.400 1
1 169 . 11 1 1 A 18 18 VAL CB C 18 36.675 35.713 0.962 1
1 172 . 11 1 1 A 18 18 VAL N N 18 117.416 122.314 -4.898 1
1 173 . 11 1 1 A 19 19 GLU H H 19 8.190 8.782 -0.592 1
1 174 . 11 1 1 A 19 19 GLU HA H 19 5.351 5.440 -0.089 1
1 179 . 11 1 1 A 19 19 GLU CA C 19 54.138 54.911 -0.773 1
1 180 . 11 1 1 A 19 19 GLU CB C 19 31.658 31.787 -0.129 1
1 181 . 11 1 1 A 19 19 GLU N N 19 124.652 125.202 -0.550 1
1 182 . 11 1 1 A 20 20 VAL H H 20 8.616 8.782 -0.166 1
1 183 . 11 1 1 A 20 20 VAL HA H 20 4.491 4.789 -0.298 1
1 191 . 11 1 1 A 20 20 VAL CA C 20 59.013 59.363 -0.350 1
1 192 . 11 1 1 A 20 20 VAL CB C 20 36.048 35.436 0.612 1
1 195 . 11 1 1 A 20 20 VAL N N 20 120.245 118.218 2.027 1
1 196 . 11 1 1 A 21 21 ALA H H 21 8.375 8.723 -0.348 1
1 197 . 11 1 1 A 21 21 ALA HA H 21 4.364 4.588 -0.224 1
1 201 . 11 1 1 A 21 21 ALA CA C 21 51.307 51.887 -0.580 1
1 202 . 11 1 1 A 21 21 ALA CB C 21 18.726 19.028 -0.302 1
1 203 . 11 1 1 A 21 21 ALA N N 21 126.173 126.481 -0.308 1
1 204 . 11 1 1 A 22 22 ALA H H 22 8.287 8.208 0.079 1
1 205 . 11 1 1 A 22 22 ALA HA H 22 3.899 3.985 -0.086 1
1 209 . 11 1 1 A 22 22 ALA CA C 22 53.104 53.983 -0.879 1
1 210 . 11 1 1 A 22 22 ALA CB C 22 17.631 18.456 -0.825 1
1 211 . 11 1 1 A 22 22 ALA N N 22 123.045 123.094 -0.049 1
1 212 . 11 1 1 A 23 23 GLY H H 23 9.862 8.823 1.039 1
1 213 . 11 1 1 A 23 23 GLY HA2 H 23 3.255 3.996 -0.741 1
1 214 . 11 1 1 A 23 23 GLY HA3 H 23 4.371 3.998 0.373 1
1 215 . 11 1 1 A 23 23 GLY CA C 23 44.741 44.986 -0.245 1
1 216 . 11 1 1 A 23 23 GLY N N 23 112.047 111.640 0.407 1
1 217 . 11 1 1 A 24 24 SER H H 24 7.944 8.035 -0.091 1
1 218 . 11 1 1 A 24 24 SER HA H 24 4.750 4.422 0.328 1
1 221 . 11 1 1 A 24 24 SER CA C 24 57.787 58.057 -0.270 1
1 222 . 11 1 1 A 24 24 SER CB C 24 63.296 63.651 -0.355 1
1 223 . 11 1 1 A 24 24 SER N N 24 119.405 117.690 1.715 1
1 224 . 11 1 1 A 25 25 PRO HA H 25 5.142 4.627 0.515 1
1 231 . 11 1 1 A 25 25 PRO CA C 25 61.743 62.709 -0.966 1
1 232 . 11 1 1 A 25 25 PRO CB C 25 31.751 32.230 -0.479 1
1 235 . 11 1 1 A 26 26 ALA H H 26 8.688 8.215 0.473 1
1 236 . 11 1 1 A 26 26 ALA HA H 26 4.396 4.845 -0.449 1
1 240 . 11 1 1 A 26 26 ALA CA C 26 49.972 50.503 -0.531 1
1 241 . 11 1 1 A 26 26 ALA CB C 26 22.877 21.942 0.935 1
1 242 . 11 1 1 A 26 26 ALA N N 26 123.024 124.069 -1.045 1
1 243 . 11 1 1 A 27 27 VAL H H 27 7.751 8.659 -0.908 1
1 244 . 11 1 1 A 27 27 VAL HA H 27 4.522 5.100 -0.578 1
1 252 . 11 1 1 A 27 27 VAL CA C 27 60.899 59.067 1.832 1
1 253 . 11 1 1 A 27 27 VAL CB C 27 33.331 34.996 -1.665 1
1 255 . 11 1 1 A 27 27 VAL N N 27 121.938 122.092 -0.154 1
1 256 . 11 1 1 A 28 28 PHE H H 28 9.196 9.073 0.123 1
1 257 . 11 1 1 A 28 28 PHE HA H 28 4.561 5.041 -0.480 1
1 265 . 11 1 1 A 28 28 PHE CA C 28 56.051 56.303 -0.252 1
1 266 . 11 1 1 A 28 28 PHE CB C 28 42.218 41.928 0.290 1
1 271 . 11 1 1 A 28 28 PHE N N 28 126.818 125.991 0.827 1
1 272 . 11 1 1 A 29 29 GLU H H 29 8.583 9.021 -0.438 1
1 273 . 11 1 1 A 29 29 GLU HA H 29 5.405 5.040 0.365 1
1 278 . 11 1 1 A 29 29 GLU CA C 29 54.508 55.806 -1.298 1
1 279 . 11 1 1 A 29 29 GLU CB C 29 33.692 30.712 2.980 1
1 280 . 11 1 1 A 29 29 GLU N N 29 120.733 122.854 -2.121 1
1 281 . 11 1 1 A 30 30 ALA H H 30 9.484 9.590 -0.106 1
1 282 . 11 1 1 A 30 30 ALA HA H 30 4.691 5.362 -0.671 1
1 286 . 11 1 1 A 30 30 ALA CA C 30 49.421 50.748 -1.327 1
1 287 . 11 1 1 A 30 30 ALA CB C 30 23.523 21.656 1.867 1
1 288 . 11 1 1 A 30 30 ALA N N 30 124.341 127.615 -3.274 1
1 289 . 11 1 1 A 31 31 GLU H H 31 9.001 9.533 -0.532 1
1 290 . 11 1 1 A 31 31 GLU HA H 31 6.016 5.349 0.667 1
1 295 . 11 1 1 A 31 31 GLU CA C 31 54.301 55.324 -1.023 1
1 296 . 11 1 1 A 31 31 GLU CB C 31 33.336 32.249 1.087 1
1 298 . 11 1 1 A 31 31 GLU N N 31 120.169 124.252 -4.083 1
1 299 . 11 1 1 A 32 32 THR H H 32 9.330 9.208 0.122 1
1 300 . 11 1 1 A 32 32 THR HA H 32 4.842 4.395 0.447 1
1 305 . 11 1 1 A 32 32 THR CA C 32 59.738 59.915 -0.177 1
1 306 . 11 1 1 A 32 32 THR CB C 32 69.791 71.203 -1.412 1
1 308 . 11 1 1 A 32 32 THR N N 32 115.538 116.386 -0.848 1
1 309 . 11 1 1 A 33 33 GLU H H 33 7.950 8.831 -0.881 1
1 310 . 11 1 1 A 33 33 GLU HA H 33 3.944 4.516 -0.572 1
1 315 . 11 1 1 A 33 33 GLU CA C 33 58.563 57.301 1.262 1
1 316 . 11 1 1 A 33 33 GLU CB C 33 29.836 30.276 -0.440 1
1 318 . 11 1 1 A 33 33 GLU N N 33 119.723 121.990 -2.267 1
1 319 . 11 1 1 A 34 34 ARG H H 34 7.791 7.511 0.280 1
1 320 . 11 1 1 A 34 34 ARG HA H 34 4.490 4.777 -0.287 1
1 327 . 11 1 1 A 34 34 ARG CA C 34 53.485 55.420 -1.935 1
1 328 . 11 1 1 A 34 34 ARG CB C 34 32.411 33.691 -1.280 1
1 331 . 11 1 1 A 34 34 ARG N N 34 113.251 119.144 -5.893 1
1 332 . 11 1 1 A 35 35 ALA H H 35 8.614 8.540 0.074 1
1 333 . 11 1 1 A 35 35 ALA HA H 35 4.050 4.518 -0.468 1
1 337 . 11 1 1 A 35 35 ALA CA C 35 51.762 52.184 -0.422 1
1 338 . 11 1 1 A 35 35 ALA N N 35 125.041 126.507 -1.466 1
1 339 . 11 1 1 A 36 36 GLY H H 36 8.647 8.987 -0.340 1
1 340 . 11 1 1 A 36 36 GLY HA2 H 36 3.634 3.981 -0.347 1
1 341 . 11 1 1 A 36 36 GLY HA3 H 36 3.960 3.991 -0.031 1
1 342 . 11 1 1 A 36 36 GLY CA C 36 45.703 45.001 0.702 1
1 343 . 11 1 1 A 36 36 GLY N N 36 108.031 110.498 -2.467 1
1 344 . 11 1 1 A 37 37 VAL H H 37 7.077 7.811 -0.734 1
1 345 . 11 1 1 A 37 37 VAL HA H 37 3.869 4.153 -0.284 1
1 353 . 11 1 1 A 37 37 VAL CA C 37 61.469 61.919 -0.450 1
1 354 . 11 1 1 A 37 37 VAL CB C 37 32.942 32.327 0.615 1
1 357 . 11 1 1 A 37 37 VAL N N 37 119.457 119.387 0.070 1
1 358 . 11 1 1 A 38 38 LYS H H 38 8.467 8.461 0.006 1
1 359 . 11 1 1 A 38 38 LYS HA H 38 4.267 4.716 -0.449 1
1 366 . 11 1 1 A 38 38 LYS CA C 38 55.873 55.640 0.233 1
1 367 . 11 1 1 A 38 38 LYS CB C 38 30.881 32.535 -1.654 1
1 370 . 11 1 1 A 38 38 LYS N N 38 128.214 124.583 3.631 1
1 371 . 11 1 1 A 39 39 VAL H H 39 7.993 8.389 -0.396 1
1 372 . 11 1 1 A 39 39 VAL HA H 39 4.537 4.130 0.407 1
1 380 . 11 1 1 A 39 39 VAL CA C 39 60.114 62.559 -2.445 1
1 381 . 11 1 1 A 39 39 VAL CB C 39 33.719 30.866 2.853 1
1 384 . 11 1 1 A 39 39 VAL N N 39 123.133 125.171 -2.038 1
1 385 . 11 1 1 A 40 40 ARG H H 40 8.507 8.444 0.063 1
1 386 . 11 1 1 A 40 40 ARG HA H 40 4.503 4.731 -0.228 1
1 393 . 11 1 1 A 40 40 ARG CA C 40 54.098 55.950 -1.852 1
1 394 . 11 1 1 A 40 40 ARG CB C 40 33.701 30.778 2.923 1
1 397 . 11 1 1 A 40 40 ARG N N 40 124.492 125.772 -1.280 1
1 398 . 11 1 1 A 41 41 TRP H H 41 9.083 8.962 0.121 1
1 399 . 11 1 1 A 41 41 TRP HA H 41 5.311 5.386 -0.075 1
1 408 . 11 1 1 A 41 41 TRP CA C 41 55.134 56.016 -0.882 1
1 409 . 11 1 1 A 41 41 TRP CB C 41 31.370 32.887 -1.517 1
1 413 . 11 1 1 A 41 41 TRP N N 41 123.367 121.746 1.621 1
1 415 . 11 1 1 A 42 42 GLN H H 42 9.532 9.129 0.403 1
1 416 . 11 1 1 A 42 42 GLN HA H 42 5.159 4.962 0.197 1
1 423 . 11 1 1 A 42 42 GLN CA C 42 54.445 54.465 -0.020 1
1 424 . 11 1 1 A 42 42 GLN CB C 42 34.775 33.324 1.451 1
1 426 . 11 1 1 A 42 42 GLN N N 42 118.692 121.187 -2.495 1
1 427 . 11 1 1 A 43 43 ARG H H 43 8.209 9.005 -0.796 1
1 428 . 11 1 1 A 43 43 ARG HA H 43 4.039 4.445 -0.406 1
1 435 . 11 1 1 A 43 43 ARG CA C 43 54.790 53.644 1.146 1
1 436 . 11 1 1 A 43 43 ARG CB C 43 32.202 33.111 -0.909 1
1 439 . 11 1 1 A 43 43 ARG N N 43 119.579 123.491 -3.912 1
1 440 . 11 1 1 A 46 46 SER H H 46 7.513 7.769 -0.256 1
1 441 . 11 1 1 A 46 46 SER HA H 46 4.674 5.005 -0.331 1
1 444 . 11 1 1 A 46 46 SER CA C 46 56.766 56.331 0.435 1
1 445 . 11 1 1 A 46 46 SER CB C 46 64.815 66.825 -2.010 1
1 446 . 11 1 1 A 46 46 SER N N 46 114.927 112.193 2.734 1
1 447 . 11 1 1 A 47 47 ASP H H 47 8.698 8.420 0.278 1
1 448 . 11 1 1 A 47 47 ASP HA H 47 4.830 4.766 0.064 1
1 451 . 11 1 1 A 47 47 ASP CA C 47 55.177 53.280 1.897 1
1 452 . 11 1 1 A 47 47 ASP CB C 47 40.385 41.877 -1.492 1
1 453 . 11 1 1 A 47 47 ASP N N 47 125.553 120.724 4.829 1
1 454 . 11 1 1 A 48 48 ILE H H 48 8.781 8.471 0.310 1
1 455 . 11 1 1 A 48 48 ILE HA H 48 3.879 4.644 -0.765 1
1 465 . 11 1 1 A 48 48 ILE CA C 48 61.218 59.575 1.643 1
1 466 . 11 1 1 A 48 48 ILE CB C 48 39.345 40.788 -1.443 1
1 470 . 11 1 1 A 48 48 ILE N N 48 124.032 121.477 2.555 1
1 471 . 11 1 1 A 49 49 SER H H 49 7.963 8.558 -0.595 1
1 472 . 11 1 1 A 49 49 SER HA H 49 4.681 4.864 -0.183 1
1 475 . 11 1 1 A 49 49 SER CA C 49 56.256 57.837 -1.581 1
1 476 . 11 1 1 A 49 49 SER CB C 49 65.243 67.050 -1.807 1
1 477 . 11 1 1 A 49 49 SER N N 49 121.077 120.035 1.042 1
1 478 . 11 1 1 A 50 50 ALA H H 50 8.516 8.377 0.139 1
1 479 . 11 1 1 A 50 50 ALA HA H 50 4.302 4.486 -0.184 1
1 483 . 11 1 1 A 50 50 ALA CA C 50 53.052 52.219 0.833 1
1 484 . 11 1 1 A 50 50 ALA CB C 50 18.821 18.085 0.736 1
1 485 . 11 1 1 A 50 50 ALA N N 50 123.977 126.943 -2.966 1
1 486 . 11 1 1 A 51 51 SER H H 51 9.564 8.259 1.305 1
1 487 . 11 1 1 A 51 51 SER HA H 51 4.797 4.880 -0.083 1
1 490 . 11 1 1 A 51 51 SER CA C 51 56.946 57.385 -0.439 1
1 491 . 11 1 1 A 51 51 SER CB C 51 65.759 65.793 -0.034 1
1 492 . 11 1 1 A 51 51 SER N N 51 117.545 117.387 0.158 1
1 494 . 11 1 1 A 52 52 ASN CA C 52 55.930 54.489 1.441 1
1 495 . 11 1 1 A 52 52 ASN CB C 52 37.045 38.353 -1.308 1
1 496 . 11 1 1 A 53 53 LYS H H 53 8.053 8.866 -0.813 1
1 497 . 11 1 1 A 53 53 LYS HA H 53 3.995 3.953 0.042 1
1 506 . 11 1 1 A 53 53 LYS CA C 53 53.699 57.784 -4.085 1
1 507 . 11 1 1 A 53 53 LYS CB C 53 33.687 32.005 1.682 1
1 511 . 11 1 1 A 53 53 LYS N N 53 121.638 124.832 -3.194 1
1 512 . 11 1 1 A 54 54 TYR H H 54 6.779 7.886 -1.107 1
1 513 . 11 1 1 A 54 54 TYR HA H 54 5.484 5.273 0.211 1
1 520 . 11 1 1 A 54 54 TYR CA C 54 55.016 56.535 -1.519 1
1 521 . 11 1 1 A 54 54 TYR CB C 54 40.147 43.565 -3.418 1
1 526 . 11 1 1 A 54 54 TYR N N 54 114.754 118.489 -3.735 1
1 527 . 11 1 1 A 55 55 GLY H H 55 9.666 8.649 1.017 1
1 528 . 11 1 1 A 55 55 GLY HA2 H 55 4.653 4.262 0.391 1
1 529 . 11 1 1 A 55 55 GLY HA3 H 55 3.343 4.278 -0.935 1
1 530 . 11 1 1 A 55 55 GLY CA C 55 44.332 45.727 -1.395 1
1 531 . 11 1 1 A 55 55 GLY N N 55 110.691 108.464 2.227 1
1 532 . 11 1 1 A 56 56 LEU H H 56 8.542 8.815 -0.273 1
1 533 . 11 1 1 A 56 56 LEU HA H 56 5.138 4.989 0.149 1
1 543 . 11 1 1 A 56 56 LEU CA C 56 54.213 54.119 0.094 1
1 544 . 11 1 1 A 56 56 LEU CB C 56 45.206 45.637 -0.431 1
1 548 . 11 1 1 A 56 56 LEU N N 56 125.972 124.386 1.586 1
1 549 . 11 1 1 A 57 57 ALA H H 57 8.594 9.147 -0.553 1
1 550 . 11 1 1 A 57 57 ALA HA H 57 4.790 4.928 -0.138 1
1 554 . 11 1 1 A 57 57 ALA CA C 57 51.318 50.266 1.052 1
1 555 . 11 1 1 A 57 57 ALA CB C 57 22.564 20.216 2.348 1
1 556 . 11 1 1 A 57 57 ALA N N 57 124.534 126.984 -2.450 1
1 557 . 11 1 1 A 58 58 THR H H 58 8.602 8.950 -0.348 1
1 558 . 11 1 1 A 58 58 THR HA H 58 4.862 4.490 0.372 1
1 563 . 11 1 1 A 58 58 THR CA C 58 62.034 60.178 1.856 1
1 564 . 11 1 1 A 58 58 THR CB C 58 72.197 69.937 2.260 1
1 566 . 11 1 1 A 58 58 THR N N 58 119.396 119.420 -0.024 1
1 567 . 11 1 1 A 59 59 GLU H H 59 8.883 8.566 0.317 1
1 568 . 11 1 1 A 59 59 GLU HA H 59 4.378 4.496 -0.118 1
1 573 . 11 1 1 A 59 59 GLU CA C 59 54.955 54.884 0.071 1
1 574 . 11 1 1 A 59 59 GLU CB C 59 31.121 30.564 0.557 1
1 576 . 11 1 1 A 59 59 GLU N N 59 128.594 128.372 0.222 1
1 577 . 11 1 1 A 60 60 GLY H H 60 9.045 8.862 0.183 1
1 578 . 11 1 1 A 60 60 GLY HA2 H 60 4.081 3.854 0.227 1
1 579 . 11 1 1 A 60 60 GLY HA3 H 60 3.529 3.858 -0.329 1
1 580 . 11 1 1 A 60 60 GLY CA C 60 47.127 47.214 -0.087 1
1 581 . 11 1 1 A 60 60 GLY N N 60 117.047 115.690 1.357 1
1 582 . 11 1 1 A 61 61 THR H H 61 8.332 8.590 -0.258 1
1 583 . 11 1 1 A 61 61 THR HA H 61 4.129 4.481 -0.352 1
1 588 . 11 1 1 A 61 61 THR CA C 61 61.659 61.833 -0.174 1
1 589 . 11 1 1 A 61 61 THR CB C 61 68.477 69.505 -1.028 1
1 591 . 11 1 1 A 61 61 THR N N 61 118.086 119.320 -1.234 1
1 592 . 11 1 1 A 62 62 ARG H H 62 7.906 7.386 0.520 1
1 593 . 11 1 1 A 62 62 ARG HA H 62 4.754 5.021 -0.267 1
1 600 . 11 1 1 A 62 62 ARG CA C 62 56.040 54.688 1.352 1
1 601 . 11 1 1 A 62 62 ARG CB C 62 31.775 32.026 -0.251 1
1 604 . 11 1 1 A 62 62 ARG N N 62 121.911 121.210 0.701 1
1 605 . 11 1 1 A 63 63 HIS H H 63 9.212 9.569 -0.357 1
1 606 . 11 1 1 A 63 63 HIS HA H 63 5.364 5.579 -0.215 1
1 611 . 11 1 1 A 63 63 HIS CA C 63 55.066 54.553 0.513 1
1 612 . 11 1 1 A 63 63 HIS CB C 63 33.860 32.801 1.059 1
1 614 . 11 1 1 A 63 63 HIS N N 63 127.111 122.580 4.531 1
1 615 . 11 1 1 A 64 64 THR H H 64 9.261 8.542 0.719 1
1 616 . 11 1 1 A 64 64 THR HA H 64 5.510 5.261 0.249 1
1 621 . 11 1 1 A 64 64 THR CA C 64 60.691 61.639 -0.948 1
1 622 . 11 1 1 A 64 64 THR CB C 64 71.788 71.375 0.413 1
1 624 . 11 1 1 A 64 64 THR N N 64 117.400 115.089 2.311 1
1 625 . 11 1 1 A 65 65 LEU H H 65 8.456 8.734 -0.278 1
1 626 . 11 1 1 A 65 65 LEU HA H 65 4.642 4.758 -0.116 1
1 636 . 11 1 1 A 65 65 LEU CA C 65 52.783 53.457 -0.674 1
1 637 . 11 1 1 A 65 65 LEU CB C 65 41.350 42.800 -1.450 1
1 641 . 11 1 1 A 65 65 LEU N N 65 129.806 129.857 -0.051 1
1 642 . 11 1 1 A 66 66 THR H H 66 9.381 8.931 0.450 1
1 643 . 11 1 1 A 66 66 THR HA H 66 4.975 4.855 0.120 1
1 648 . 11 1 1 A 66 66 THR CA C 66 61.072 61.981 -0.909 1
1 649 . 11 1 1 A 66 66 THR CB C 66 70.346 69.553 0.793 1
1 651 . 11 1 1 A 66 66 THR N N 66 123.110 124.035 -0.925 1
1 652 . 11 1 1 A 67 67 VAL H H 67 9.493 9.080 0.413 1
1 653 . 11 1 1 A 67 67 VAL HA H 67 4.317 4.744 -0.427 1
1 661 . 11 1 1 A 67 67 VAL CA C 67 61.300 60.082 1.218 1
1 662 . 11 1 1 A 67 67 VAL CB C 67 31.636 34.736 -3.100 1
1 665 . 11 1 1 A 67 67 VAL N N 67 128.451 125.819 2.632 1
1 666 . 11 1 1 A 68 68 ARG H H 68 8.500 8.811 -0.311 1
1 667 . 11 1 1 A 68 68 ARG HA H 68 3.839 4.341 -0.502 1
1 674 . 11 1 1 A 68 68 ARG CA C 68 57.379 56.563 0.816 1
1 675 . 11 1 1 A 68 68 ARG CB C 68 30.481 30.476 0.005 1
1 678 . 11 1 1 A 68 68 ARG N N 68 124.308 128.487 -4.179 1
1 679 . 11 1 1 A 69 69 GLU H H 69 8.545 8.011 0.534 1
1 680 . 11 1 1 A 69 69 GLU HA H 69 3.147 4.051 -0.904 1
1 685 . 11 1 1 A 69 69 GLU CA C 69 55.733 58.260 -2.527 1
1 686 . 11 1 1 A 69 69 GLU CB C 69 28.793 29.716 -0.923 1
1 688 . 11 1 1 A 69 69 GLU N N 69 118.177 119.317 -1.140 1
1 689 . 11 1 1 A 70 70 VAL H H 70 7.771 7.310 0.461 1
1 690 . 11 1 1 A 70 70 VAL HA H 70 3.810 4.281 -0.471 1
1 698 . 11 1 1 A 70 70 VAL CA C 70 63.848 62.735 1.113 1
1 699 . 11 1 1 A 70 70 VAL CB C 70 31.885 32.386 -0.501 1
1 702 . 11 1 1 A 70 70 VAL N N 70 117.579 119.428 -1.849 1
1 703 . 11 1 1 A 71 71 GLY H H 71 9.389 8.316 1.073 1
1 704 . 11 1 1 A 71 71 GLY HA2 H 71 4.470 4.219 0.251 1
1 705 . 11 1 1 A 71 71 GLY HA3 H 71 3.895 4.223 -0.328 1
1 706 . 11 1 1 A 71 71 GLY CA C 71 43.915 45.438 -1.523 1
1 707 . 11 1 1 A 71 71 GLY N N 71 114.169 114.485 -0.316 1
1 708 . 11 1 1 A 72 72 PRO HA H 72 4.038 4.444 -0.406 1
1 715 . 11 1 1 A 72 72 PRO CA C 72 65.800 64.614 1.186 1
1 716 . 11 1 1 A 72 72 PRO CB C 72 31.553 31.795 -0.242 1
1 719 . 11 1 1 A 73 73 ALA H H 73 8.558 8.319 0.239 1
1 720 . 11 1 1 A 73 73 ALA HA H 73 4.186 4.289 -0.103 1
1 724 . 11 1 1 A 73 73 ALA CA C 73 53.826 53.482 0.344 1
1 725 . 11 1 1 A 73 73 ALA CB C 73 18.152 19.103 -0.951 1
1 726 . 11 1 1 A 73 73 ALA N N 73 118.164 119.760 -1.596 1
1 727 . 11 1 1 A 74 74 ASP H H 74 8.381 7.770 0.611 1
1 728 . 11 1 1 A 74 74 ASP HA H 74 4.586 4.741 -0.155 1
1 731 . 11 1 1 A 74 74 ASP CA C 74 55.178 54.294 0.884 1
1 732 . 11 1 1 A 74 74 ASP CB C 74 42.280 41.770 0.510 1
1 733 . 11 1 1 A 74 74 ASP N N 74 113.856 116.714 -2.858 1
1 734 . 11 1 1 A 75 75 GLN H H 75 7.409 7.738 -0.329 1
1 735 . 11 1 1 A 75 75 GLN HA H 75 4.252 4.349 -0.097 1
1 740 . 11 1 1 A 75 75 GLN CA C 75 56.682 55.617 1.065 1
1 741 . 11 1 1 A 75 75 GLN CB C 75 30.337 28.544 1.793 1
1 743 . 11 1 1 A 75 75 GLN N N 75 119.456 121.212 -1.756 1
1 744 . 11 1 1 A 76 76 GLY H H 76 8.984 8.112 0.872 1
1 745 . 11 1 1 A 76 76 GLY HA2 H 76 4.610 4.221 0.389 1
1 746 . 11 1 1 A 76 76 GLY HA3 H 76 3.863 4.237 -0.374 1
1 747 . 11 1 1 A 76 76 GLY CA C 76 44.149 46.162 -2.013 1
1 748 . 11 1 1 A 76 76 GLY N N 76 112.000 113.278 -1.278 1
1 749 . 11 1 1 A 77 77 SER H H 77 8.106 8.697 -0.591 1
1 750 . 11 1 1 A 77 77 SER HA H 77 5.009 5.424 -0.415 1
1 753 . 11 1 1 A 77 77 SER CA C 77 58.199 56.474 1.725 1
1 754 . 11 1 1 A 77 77 SER CB C 77 64.099 66.686 -2.587 1
1 755 . 11 1 1 A 77 77 SER N N 77 114.587 116.666 -2.079 1
1 756 . 11 1 1 A 78 78 TYR H H 78 9.056 8.797 0.259 1
1 757 . 11 1 1 A 78 78 TYR HA H 78 4.530 4.959 -0.429 1
1 764 . 11 1 1 A 78 78 TYR CA C 78 56.450 55.979 0.471 1
1 765 . 11 1 1 A 78 78 TYR CB C 78 43.805 41.433 2.372 1
1 770 . 11 1 1 A 78 78 TYR N N 78 127.751 118.800 8.951 1
1 771 . 11 1 1 A 79 79 ALA H H 79 8.558 8.696 -0.138 1
1 772 . 11 1 1 A 79 79 ALA HA H 79 5.233 5.289 -0.056 1
1 776 . 11 1 1 A 79 79 ALA CA C 79 50.806 49.890 0.916 1
1 777 . 11 1 1 A 79 79 ALA CB C 79 23.130 22.317 0.813 1
1 778 . 11 1 1 A 79 79 ALA N N 79 118.647 124.861 -6.214 1
1 779 . 11 1 1 A 80 80 VAL H H 80 8.717 8.519 0.198 1
1 780 . 11 1 1 A 80 80 VAL HA H 80 4.905 4.579 0.326 1
1 788 . 11 1 1 A 80 80 VAL CA C 80 58.760 60.151 -1.391 1
1 789 . 11 1 1 A 80 80 VAL CB C 80 35.087 34.569 0.518 1
1 792 . 11 1 1 A 80 80 VAL N N 80 118.846 118.182 0.664 1
1 793 . 11 1 1 A 81 81 ILE H H 81 8.739 8.774 -0.035 1
1 794 . 11 1 1 A 81 81 ILE HA H 81 5.012 5.164 -0.152 1
1 804 . 11 1 1 A 81 81 ILE CA C 81 59.751 59.792 -0.041 1
1 805 . 11 1 1 A 81 81 ILE CB C 81 42.030 40.949 1.081 1
1 809 . 11 1 1 A 81 81 ILE N N 81 126.232 129.782 -3.550 1
1 810 . 11 1 1 A 82 82 ALA H H 82 8.388 8.638 -0.250 1
1 811 . 11 1 1 A 82 82 ALA HA H 82 4.449 4.510 -0.061 1
1 815 . 11 1 1 A 82 82 ALA CA C 82 50.839 50.826 0.013 1
1 816 . 11 1 1 A 82 82 ALA CB C 82 21.160 20.148 1.012 1
1 817 . 11 1 1 A 82 82 ALA N N 82 128.273 127.447 0.826 1
1 818 . 11 1 1 A 83 83 GLY H H 83 8.841 8.986 -0.145 1
1 819 . 11 1 1 A 83 83 GLY HA2 H 83 3.815 3.842 -0.027 1
1 820 . 11 1 1 A 83 83 GLY HA3 H 83 3.509 3.850 -0.341 1
1 821 . 11 1 1 A 83 83 GLY CA C 83 46.917 47.268 -0.351 1
1 822 . 11 1 1 A 83 83 GLY N N 83 113.065 115.489 -2.424 1
1 823 . 11 1 1 A 85 85 SER H H 85 8.423 7.856 0.567 1
1 824 . 11 1 1 A 85 85 SER HA H 85 4.659 4.411 0.248 1
1 827 . 11 1 1 A 85 85 SER CA C 85 58.485 58.791 -0.306 1
1 828 . 11 1 1 A 85 85 SER CB C 85 64.397 63.972 0.425 1
1 829 . 11 1 1 A 85 85 SER N N 85 119.428 116.428 3.000 1
1 830 . 11 1 1 A 86 86 LYS H H 86 8.490 8.622 -0.132 1
1 831 . 11 1 1 A 86 86 LYS HA H 86 5.243 5.078 0.165 1
1 840 . 11 1 1 A 86 86 LYS CA C 86 54.822 54.637 0.185 1
1 841 . 11 1 1 A 86 86 LYS CB C 86 35.340 35.756 -0.416 1
1 845 . 11 1 1 A 86 86 LYS N N 86 125.678 127.070 -1.392 1
1 846 . 11 1 1 A 87 87 VAL H H 87 8.863 8.541 0.322 1
1 847 . 11 1 1 A 87 87 VAL HA H 87 4.300 4.769 -0.469 1
1 855 . 11 1 1 A 87 87 VAL CA C 87 60.870 58.801 2.069 1
1 856 . 11 1 1 A 87 87 VAL CB C 87 34.228 35.150 -0.922 1
1 859 . 11 1 1 A 87 87 VAL N N 87 126.631 119.992 6.639 1
1 860 . 11 1 1 A 88 88 LYS H H 88 8.475 8.990 -0.515 1
1 861 . 11 1 1 A 88 88 LYS HA H 88 5.065 4.917 0.148 1
1 870 . 11 1 1 A 88 88 LYS CA C 88 55.124 54.355 0.769 1
1 871 . 11 1 1 A 88 88 LYS CB C 88 34.479 36.326 -1.847 1
1 874 . 11 1 1 A 88 88 LYS N N 88 125.592 121.627 3.965 1
1 875 . 11 1 1 A 89 89 PHE H H 89 8.152 8.313 -0.161 1
1 876 . 11 1 1 A 89 89 PHE HA H 89 4.601 5.481 -0.880 1
1 884 . 11 1 1 A 89 89 PHE CA C 89 56.311 55.295 1.016 1
1 885 . 11 1 1 A 89 89 PHE CB C 89 39.383 41.699 -2.316 1
1 888 . 11 1 1 A 89 89 PHE N N 89 119.005 116.937 2.068 1
1 889 . 11 1 1 A 90 90 ASP H H 90 9.006 8.945 0.061 1
1 890 . 11 1 1 A 90 90 ASP HA H 90 5.565 5.320 0.245 1
1 893 . 11 1 1 A 90 90 ASP CA C 90 53.532 53.927 -0.395 1
1 894 . 11 1 1 A 90 90 ASP CB C 90 45.151 43.027 2.124 1
1 895 . 11 1 1 A 90 90 ASP N N 90 118.742 119.721 -0.979 1
1 896 . 11 1 1 A 91 91 LEU H H 91 8.733 8.603 0.130 1
1 897 . 11 1 1 A 91 91 LEU HA H 91 5.137 5.234 -0.097 1
1 907 . 11 1 1 A 91 91 LEU CA C 91 54.171 53.714 0.457 1
1 908 . 11 1 1 A 91 91 LEU CB C 91 45.625 44.701 0.924 1
1 911 . 11 1 1 A 91 91 LEU N N 91 121.344 125.766 -4.422 1
1 912 . 11 1 1 A 92 92 LYS H H 92 8.892 8.785 0.107 1
1 913 . 11 1 1 A 92 92 LYS HA H 92 4.733 4.729 0.004 1
1 922 . 11 1 1 A 92 92 LYS CA C 92 54.910 56.105 -1.195 1
1 923 . 11 1 1 A 92 92 LYS CB C 92 35.261 33.606 1.655 1
1 927 . 11 1 1 A 92 92 LYS N N 92 128.486 127.107 1.379 1
1 928 . 11 1 1 A 93 93 VAL H H 93 8.563 8.673 -0.110 1
1 929 . 11 1 1 A 93 93 VAL HA H 93 4.818 5.321 -0.503 1
1 937 . 11 1 1 A 93 93 VAL CA C 93 60.568 61.008 -0.440 1
1 938 . 11 1 1 A 93 93 VAL CB C 93 33.024 34.580 -1.556 1
1 941 . 11 1 1 A 93 93 VAL N N 93 124.459 122.540 1.919 1
1 942 . 11 1 1 A 94 94 ILE H H 94 8.395 8.880 -0.485 1
1 943 . 11 1 1 A 94 94 ILE HA H 94 4.162 4.832 -0.670 1
1 953 . 11 1 1 A 94 94 ILE CA C 94 60.238 59.618 0.620 1
1 954 . 11 1 1 A 94 94 ILE CB C 94 39.279 40.796 -1.517 1
1 958 . 11 1 1 A 94 94 ILE N N 94 126.433 126.797 -0.364 1
1 1 . 12 1 1 A 3 3 PRO HA H 3 4.235 4.523 -0.288 1
1 8 . 12 1 1 A 3 3 PRO CA C 3 63.375 62.425 0.950 1
1 9 . 12 1 1 A 3 3 PRO CB C 3 31.835 33.097 -1.262 1
1 11 . 12 1 1 A 4 4 GLY H H 4 8.439 8.404 0.035 1
1 12 . 12 1 1 A 4 4 GLY HA2 H 4 3.854 3.819 0.035 1
1 13 . 12 1 1 A 4 4 GLY HA3 H 4 3.819 3.819 0.000 1
1 14 . 12 1 1 A 4 4 GLY CA C 4 45.043 47.135 -2.092 1
1 15 . 12 1 1 A 4 4 GLY N N 4 108.904 106.667 2.237 1
1 16 . 12 1 1 A 5 5 LYS H H 5 7.974 7.675 0.299 1
1 17 . 12 1 1 A 5 5 LYS HA H 5 4.265 4.230 0.035 1
1 26 . 12 1 1 A 5 5 LYS CA C 5 55.709 56.592 -0.883 1
1 27 . 12 1 1 A 5 5 LYS CB C 5 33.081 33.102 -0.021 1
1 31 . 12 1 1 A 5 5 LYS N N 5 120.616 118.856 1.760 1
1 32 . 12 1 1 A 6 6 LYS H H 6 8.291 8.493 -0.202 1
1 33 . 12 1 1 A 6 6 LYS HA H 6 4.505 4.590 -0.085 1
1 36 . 12 1 1 A 6 6 LYS CA C 6 54.105 54.457 -0.352 1
1 37 . 12 1 1 A 6 6 LYS CB C 6 32.381 31.442 0.939 1
1 38 . 12 1 1 A 6 6 LYS N N 6 124.267 122.152 2.115 1
1 39 . 12 1 1 A 7 7 PRO HA H 7 4.371 4.550 -0.179 1
1 46 . 12 1 1 A 7 7 PRO CA C 7 62.738 62.359 0.379 1
1 47 . 12 1 1 A 7 7 PRO CB C 7 31.942 32.431 -0.489 1
1 50 . 12 1 1 A 8 8 VAL H H 8 8.244 8.362 -0.118 1
1 51 . 12 1 1 A 8 8 VAL HA H 8 4.012 3.999 0.013 1
1 59 . 12 1 1 A 8 8 VAL CA C 8 61.883 62.009 -0.126 1
1 60 . 12 1 1 A 8 8 VAL CB C 8 32.743 31.645 1.098 1
1 63 . 12 1 1 A 8 8 VAL N N 8 120.593 118.609 1.984 1
1 64 . 12 1 1 A 9 9 SER H H 9 8.296 8.515 -0.219 1
1 65 . 12 1 1 A 9 9 SER HA H 9 4.315 5.082 -0.767 1
1 68 . 12 1 1 A 9 9 SER CA C 9 57.429 57.191 0.238 1
1 69 . 12 1 1 A 9 9 SER CB C 9 63.804 64.366 -0.562 1
1 70 . 12 1 1 A 9 9 SER N N 9 118.557 121.196 -2.639 1
1 71 . 12 1 1 A 10 10 ALA H H 10 8.214 8.684 -0.470 1
1 72 . 12 1 1 A 10 10 ALA HA H 10 4.069 4.627 -0.558 1
1 76 . 12 1 1 A 10 10 ALA CA C 10 53.042 51.360 1.682 1
1 77 . 12 1 1 A 10 10 ALA CB C 10 19.919 19.853 0.066 1
1 78 . 12 1 1 A 10 10 ALA N N 10 125.277 124.081 1.196 1
1 79 . 12 1 1 A 11 11 PHE H H 11 8.238 7.788 0.450 1
1 80 . 12 1 1 A 11 11 PHE HA H 11 4.816 4.933 -0.117 1
1 88 . 12 1 1 A 11 11 PHE CA C 11 57.727 56.205 1.522 1
1 89 . 12 1 1 A 11 11 PHE CB C 11 39.854 38.663 1.191 1
1 94 . 12 1 1 A 11 11 PHE N N 11 114.771 118.114 -3.343 1
1 95 . 12 1 1 A 12 12 SER H H 12 8.809 8.947 -0.138 1
1 96 . 12 1 1 A 12 12 SER HA H 12 4.395 4.221 0.174 1
1 99 . 12 1 1 A 12 12 SER CA C 12 58.641 61.905 -3.264 1
1 100 . 12 1 1 A 12 12 SER CB C 12 63.274 62.853 0.421 1
1 101 . 12 1 1 A 12 12 SER N N 12 119.399 121.750 -2.351 1
1 102 . 12 1 1 A 13 13 LYS H H 13 7.884 7.895 -0.011 1
1 103 . 12 1 1 A 13 13 LYS HA H 13 4.575 4.867 -0.292 1
1 112 . 12 1 1 A 13 13 LYS CA C 13 56.362 55.104 1.258 1
1 113 . 12 1 1 A 13 13 LYS CB C 13 35.664 35.195 0.469 1
1 114 . 12 1 1 A 13 13 LYS N N 13 121.565 120.306 1.259 1
1 115 . 12 1 1 A 14 14 LYS H H 14 8.744 8.577 0.167 1
1 116 . 12 1 1 A 14 14 LYS HA H 14 4.313 4.582 -0.269 1
1 123 . 12 1 1 A 14 14 LYS CA C 14 53.374 54.562 -1.188 1
1 124 . 12 1 1 A 14 14 LYS CB C 14 32.741 32.470 0.271 1
1 127 . 12 1 1 A 14 14 LYS N N 14 125.096 127.649 -2.553 1
1 128 . 12 1 1 A 15 15 PRO HA H 15 4.693 4.935 -0.242 1
1 135 . 12 1 1 A 15 15 PRO CA C 15 62.248 62.274 -0.026 1
1 136 . 12 1 1 A 15 15 PRO CB C 15 31.343 29.886 1.457 1
1 139 . 12 1 1 A 16 16 ARG H H 16 8.118 7.934 0.184 1
1 140 . 12 1 1 A 16 16 ARG HA H 16 4.592 4.224 0.368 1
1 147 . 12 1 1 A 16 16 ARG CA C 16 53.951 56.179 -2.228 1
1 148 . 12 1 1 A 16 16 ARG CB C 16 32.456 30.416 2.040 1
1 151 . 12 1 1 A 16 16 ARG N N 16 119.622 119.121 0.501 1
1 152 . 12 1 1 A 17 17 SER H H 17 8.511 8.609 -0.098 1
1 153 . 12 1 1 A 17 17 SER HA H 17 5.281 4.572 0.709 1
1 156 . 12 1 1 A 17 17 SER CA C 17 59.888 58.678 1.210 1
1 157 . 12 1 1 A 17 17 SER CB C 17 63.405 64.511 -1.106 1
1 158 . 12 1 1 A 17 17 SER N N 17 117.935 115.809 2.126 1
1 159 . 12 1 1 A 18 18 VAL H H 18 8.389 8.738 -0.349 1
1 160 . 12 1 1 A 18 18 VAL HA H 18 4.660 4.816 -0.156 1
1 168 . 12 1 1 A 18 18 VAL CA C 18 60.004 59.659 0.345 1
1 169 . 12 1 1 A 18 18 VAL CB C 18 36.675 35.878 0.797 1
1 172 . 12 1 1 A 18 18 VAL N N 18 117.416 120.588 -3.172 1
1 173 . 12 1 1 A 19 19 GLU H H 19 8.190 8.786 -0.596 1
1 174 . 12 1 1 A 19 19 GLU HA H 19 5.351 5.503 -0.152 1
1 179 . 12 1 1 A 19 19 GLU CA C 19 54.138 54.877 -0.739 1
1 180 . 12 1 1 A 19 19 GLU CB C 19 31.658 32.191 -0.533 1
1 181 . 12 1 1 A 19 19 GLU N N 19 124.652 126.012 -1.360 1
1 182 . 12 1 1 A 20 20 VAL H H 20 8.616 8.682 -0.066 1
1 183 . 12 1 1 A 20 20 VAL HA H 20 4.491 4.797 -0.306 1
1 191 . 12 1 1 A 20 20 VAL CA C 20 59.013 59.345 -0.332 1
1 192 . 12 1 1 A 20 20 VAL CB C 20 36.048 35.377 0.671 1
1 195 . 12 1 1 A 20 20 VAL N N 20 120.245 118.778 1.467 1
1 196 . 12 1 1 A 21 21 ALA H H 21 8.375 8.699 -0.324 1
1 197 . 12 1 1 A 21 21 ALA HA H 21 4.364 4.606 -0.242 1
1 201 . 12 1 1 A 21 21 ALA CA C 21 51.307 51.877 -0.570 1
1 202 . 12 1 1 A 21 21 ALA CB C 21 18.726 19.110 -0.384 1
1 203 . 12 1 1 A 21 21 ALA N N 21 126.173 125.575 0.598 1
1 204 . 12 1 1 A 22 22 ALA H H 22 8.287 8.203 0.084 1
1 205 . 12 1 1 A 22 22 ALA HA H 22 3.899 3.988 -0.089 1
1 209 . 12 1 1 A 22 22 ALA CA C 22 53.104 53.977 -0.873 1
1 210 . 12 1 1 A 22 22 ALA CB C 22 17.631 18.467 -0.836 1
1 211 . 12 1 1 A 22 22 ALA N N 22 123.045 123.317 -0.272 1
1 212 . 12 1 1 A 23 23 GLY H H 23 9.862 8.864 0.998 1
1 213 . 12 1 1 A 23 23 GLY HA2 H 23 3.255 3.993 -0.738 1
1 214 . 12 1 1 A 23 23 GLY HA3 H 23 4.371 3.996 0.375 1
1 215 . 12 1 1 A 23 23 GLY CA C 23 44.741 44.988 -0.247 1
1 216 . 12 1 1 A 23 23 GLY N N 23 112.047 111.323 0.724 1
1 217 . 12 1 1 A 24 24 SER H H 24 7.944 7.846 0.098 1
1 218 . 12 1 1 A 24 24 SER HA H 24 4.750 4.555 0.195 1
1 221 . 12 1 1 A 24 24 SER CA C 24 57.787 56.132 1.655 1
1 222 . 12 1 1 A 24 24 SER CB C 24 63.296 63.800 -0.504 1
1 223 . 12 1 1 A 24 24 SER N N 24 119.405 117.988 1.417 1
1 224 . 12 1 1 A 25 25 PRO HA H 25 5.142 4.663 0.479 1
1 231 . 12 1 1 A 25 25 PRO CA C 25 61.743 62.715 -0.972 1
1 232 . 12 1 1 A 25 25 PRO CB C 25 31.751 32.160 -0.409 1
1 235 . 12 1 1 A 26 26 ALA H H 26 8.688 8.360 0.328 1
1 236 . 12 1 1 A 26 26 ALA HA H 26 4.396 4.814 -0.418 1
1 240 . 12 1 1 A 26 26 ALA CA C 26 49.972 50.507 -0.535 1
1 241 . 12 1 1 A 26 26 ALA CB C 26 22.877 21.934 0.943 1
1 242 . 12 1 1 A 26 26 ALA N N 26 123.024 124.344 -1.320 1
1 243 . 12 1 1 A 27 27 VAL H H 27 7.751 8.602 -0.851 1
1 244 . 12 1 1 A 27 27 VAL HA H 27 4.522 5.091 -0.569 1
1 252 . 12 1 1 A 27 27 VAL CA C 27 60.899 58.893 2.006 1
1 253 . 12 1 1 A 27 27 VAL CB C 27 33.331 35.023 -1.692 1
1 255 . 12 1 1 A 27 27 VAL N N 27 121.938 122.521 -0.583 1
1 256 . 12 1 1 A 28 28 PHE H H 28 9.196 9.136 0.060 1
1 257 . 12 1 1 A 28 28 PHE HA H 28 4.561 5.027 -0.466 1
1 265 . 12 1 1 A 28 28 PHE CA C 28 56.051 56.209 -0.158 1
1 266 . 12 1 1 A 28 28 PHE CB C 28 42.218 41.926 0.292 1
1 271 . 12 1 1 A 28 28 PHE N N 28 126.818 125.932 0.886 1
1 272 . 12 1 1 A 29 29 GLU H H 29 8.583 9.070 -0.487 1
1 273 . 12 1 1 A 29 29 GLU HA H 29 5.405 4.975 0.430 1
1 278 . 12 1 1 A 29 29 GLU CA C 29 54.508 56.037 -1.529 1
1 279 . 12 1 1 A 29 29 GLU CB C 29 33.692 31.206 2.486 1
1 280 . 12 1 1 A 29 29 GLU N N 29 120.733 124.395 -3.662 1
1 281 . 12 1 1 A 30 30 ALA H H 30 9.484 9.531 -0.047 1
1 282 . 12 1 1 A 30 30 ALA HA H 30 4.691 5.331 -0.640 1
1 286 . 12 1 1 A 30 30 ALA CA C 30 49.421 50.856 -1.435 1
1 287 . 12 1 1 A 30 30 ALA CB C 30 23.523 21.800 1.723 1
1 288 . 12 1 1 A 30 30 ALA N N 30 124.341 129.256 -4.915 1
1 289 . 12 1 1 A 31 31 GLU H H 31 9.001 9.380 -0.379 1
1 290 . 12 1 1 A 31 31 GLU HA H 31 6.016 5.150 0.866 1
1 295 . 12 1 1 A 31 31 GLU CA C 31 54.301 54.917 -0.616 1
1 296 . 12 1 1 A 31 31 GLU CB C 31 33.336 32.869 0.467 1
1 298 . 12 1 1 A 31 31 GLU N N 31 120.169 123.668 -3.499 1
1 299 . 12 1 1 A 32 32 THR H H 32 9.330 8.905 0.425 1
1 300 . 12 1 1 A 32 32 THR HA H 32 4.842 4.331 0.511 1
1 305 . 12 1 1 A 32 32 THR CA C 32 59.738 60.205 -0.467 1
1 306 . 12 1 1 A 32 32 THR CB C 32 69.791 71.117 -1.326 1
1 308 . 12 1 1 A 32 32 THR N N 32 115.538 114.921 0.617 1
1 309 . 12 1 1 A 33 33 GLU H H 33 7.950 8.847 -0.897 1
1 310 . 12 1 1 A 33 33 GLU HA H 33 3.944 4.513 -0.569 1
1 315 . 12 1 1 A 33 33 GLU CA C 33 58.563 57.302 1.261 1
1 316 . 12 1 1 A 33 33 GLU CB C 33 29.836 30.278 -0.442 1
1 318 . 12 1 1 A 33 33 GLU N N 33 119.723 122.000 -2.277 1
1 319 . 12 1 1 A 34 34 ARG H H 34 7.791 7.493 0.298 1
1 320 . 12 1 1 A 34 34 ARG HA H 34 4.490 4.809 -0.319 1
1 327 . 12 1 1 A 34 34 ARG CA C 34 53.485 55.273 -1.788 1
1 328 . 12 1 1 A 34 34 ARG CB C 34 32.411 33.608 -1.197 1
1 331 . 12 1 1 A 34 34 ARG N N 34 113.251 119.308 -6.057 1
1 332 . 12 1 1 A 35 35 ALA H H 35 8.614 8.480 0.134 1
1 333 . 12 1 1 A 35 35 ALA HA H 35 4.050 4.483 -0.433 1
1 337 . 12 1 1 A 35 35 ALA CA C 35 51.762 52.110 -0.348 1
1 338 . 12 1 1 A 35 35 ALA N N 35 125.041 126.539 -1.498 1
1 339 . 12 1 1 A 36 36 GLY H H 36 8.647 8.904 -0.257 1
1 340 . 12 1 1 A 36 36 GLY HA2 H 36 3.634 3.984 -0.350 1
1 341 . 12 1 1 A 36 36 GLY HA3 H 36 3.960 3.993 -0.033 1
1 342 . 12 1 1 A 36 36 GLY CA C 36 45.703 44.981 0.722 1
1 343 . 12 1 1 A 36 36 GLY N N 36 108.031 110.294 -2.263 1
1 344 . 12 1 1 A 37 37 VAL H H 37 7.077 7.829 -0.752 1
1 345 . 12 1 1 A 37 37 VAL HA H 37 3.869 4.204 -0.335 1
1 353 . 12 1 1 A 37 37 VAL CA C 37 61.469 61.785 -0.316 1
1 354 . 12 1 1 A 37 37 VAL CB C 37 32.942 32.771 0.171 1
1 357 . 12 1 1 A 37 37 VAL N N 37 119.457 118.704 0.753 1
1 358 . 12 1 1 A 38 38 LYS H H 38 8.467 8.478 -0.011 1
1 359 . 12 1 1 A 38 38 LYS HA H 38 4.267 4.803 -0.536 1
1 366 . 12 1 1 A 38 38 LYS CA C 38 55.873 55.344 0.529 1
1 367 . 12 1 1 A 38 38 LYS CB C 38 30.881 33.936 -3.055 1
1 370 . 12 1 1 A 38 38 LYS N N 38 128.214 124.705 3.509 1
1 371 . 12 1 1 A 39 39 VAL H H 39 7.993 8.573 -0.580 1
1 372 . 12 1 1 A 39 39 VAL HA H 39 4.537 4.357 0.180 1
1 380 . 12 1 1 A 39 39 VAL CA C 39 60.114 61.213 -1.099 1
1 381 . 12 1 1 A 39 39 VAL CB C 39 33.719 32.099 1.620 1
1 384 . 12 1 1 A 39 39 VAL N N 39 123.133 124.593 -1.460 1
1 385 . 12 1 1 A 40 40 ARG H H 40 8.507 8.409 0.098 1
1 386 . 12 1 1 A 40 40 ARG HA H 40 4.503 4.711 -0.208 1
1 393 . 12 1 1 A 40 40 ARG CA C 40 54.098 55.848 -1.750 1
1 394 . 12 1 1 A 40 40 ARG CB C 40 33.701 30.795 2.906 1
1 397 . 12 1 1 A 40 40 ARG N N 40 124.492 126.056 -1.564 1
1 398 . 12 1 1 A 41 41 TRP H H 41 9.083 8.977 0.106 1
1 399 . 12 1 1 A 41 41 TRP HA H 41 5.311 5.404 -0.093 1
1 408 . 12 1 1 A 41 41 TRP CA C 41 55.134 55.623 -0.489 1
1 409 . 12 1 1 A 41 41 TRP CB C 41 31.370 32.962 -1.592 1
1 413 . 12 1 1 A 41 41 TRP N N 41 123.367 121.715 1.652 1
1 415 . 12 1 1 A 42 42 GLN H H 42 9.532 8.960 0.572 1
1 416 . 12 1 1 A 42 42 GLN HA H 42 5.159 4.694 0.465 1
1 423 . 12 1 1 A 42 42 GLN CA C 42 54.445 54.761 -0.316 1
1 424 . 12 1 1 A 42 42 GLN CB C 42 34.775 32.750 2.025 1
1 426 . 12 1 1 A 42 42 GLN N N 42 118.692 121.528 -2.836 1
1 427 . 12 1 1 A 43 43 ARG H H 43 8.209 8.967 -0.758 1
1 428 . 12 1 1 A 43 43 ARG HA H 43 4.039 4.539 -0.500 1
1 435 . 12 1 1 A 43 43 ARG CA C 43 54.790 53.471 1.319 1
1 436 . 12 1 1 A 43 43 ARG CB C 43 32.202 33.338 -1.136 1
1 439 . 12 1 1 A 43 43 ARG N N 43 119.579 126.370 -6.791 1
1 440 . 12 1 1 A 46 46 SER H H 46 7.513 7.782 -0.269 1
1 441 . 12 1 1 A 46 46 SER HA H 46 4.674 5.039 -0.365 1
1 444 . 12 1 1 A 46 46 SER CA C 46 56.766 56.317 0.449 1
1 445 . 12 1 1 A 46 46 SER CB C 46 64.815 66.693 -1.878 1
1 446 . 12 1 1 A 46 46 SER N N 46 114.927 112.576 2.351 1
1 447 . 12 1 1 A 47 47 ASP H H 47 8.698 8.388 0.310 1
1 448 . 12 1 1 A 47 47 ASP HA H 47 4.830 4.673 0.157 1
1 451 . 12 1 1 A 47 47 ASP CA C 47 55.177 53.471 1.706 1
1 452 . 12 1 1 A 47 47 ASP CB C 47 40.385 41.591 -1.206 1
1 453 . 12 1 1 A 47 47 ASP N N 47 125.553 121.521 4.032 1
1 454 . 12 1 1 A 48 48 ILE H H 48 8.781 8.624 0.157 1
1 455 . 12 1 1 A 48 48 ILE HA H 48 3.879 4.764 -0.885 1
1 465 . 12 1 1 A 48 48 ILE CA C 48 61.218 59.708 1.510 1
1 466 . 12 1 1 A 48 48 ILE CB C 48 39.345 40.711 -1.366 1
1 470 . 12 1 1 A 48 48 ILE N N 48 124.032 121.529 2.503 1
1 471 . 12 1 1 A 49 49 SER H H 49 7.963 8.385 -0.422 1
1 472 . 12 1 1 A 49 49 SER HA H 49 4.681 4.799 -0.118 1
1 475 . 12 1 1 A 49 49 SER CA C 49 56.256 56.645 -0.389 1
1 476 . 12 1 1 A 49 49 SER CB C 49 65.243 65.297 -0.054 1
1 477 . 12 1 1 A 49 49 SER N N 49 121.077 118.374 2.703 1
1 478 . 12 1 1 A 50 50 ALA H H 50 8.516 8.399 0.117 1
1 479 . 12 1 1 A 50 50 ALA HA H 50 4.302 4.479 -0.177 1
1 483 . 12 1 1 A 50 50 ALA CA C 50 53.052 52.227 0.825 1
1 484 . 12 1 1 A 50 50 ALA CB C 50 18.821 18.092 0.729 1
1 485 . 12 1 1 A 50 50 ALA N N 50 123.977 126.738 -2.761 1
1 486 . 12 1 1 A 51 51 SER H H 51 9.564 8.258 1.306 1
1 487 . 12 1 1 A 51 51 SER HA H 51 4.797 4.844 -0.047 1
1 490 . 12 1 1 A 51 51 SER CA C 51 56.946 57.381 -0.435 1
1 491 . 12 1 1 A 51 51 SER CB C 51 65.759 66.047 -0.288 1
1 492 . 12 1 1 A 51 51 SER N N 51 117.545 117.378 0.167 1
1 494 . 12 1 1 A 52 52 ASN CA C 52 55.930 54.268 1.662 1
1 495 . 12 1 1 A 52 52 ASN CB C 52 37.045 38.337 -1.292 1
1 496 . 12 1 1 A 53 53 LYS H H 53 8.053 8.808 -0.755 1
1 497 . 12 1 1 A 53 53 LYS HA H 53 3.995 4.010 -0.015 1
1 506 . 12 1 1 A 53 53 LYS CA C 53 53.699 57.762 -4.063 1
1 507 . 12 1 1 A 53 53 LYS CB C 53 33.687 32.010 1.677 1
1 511 . 12 1 1 A 53 53 LYS N N 53 121.638 123.724 -2.086 1
1 512 . 12 1 1 A 54 54 TYR H H 54 6.779 7.855 -1.076 1
1 513 . 12 1 1 A 54 54 TYR HA H 54 5.484 5.259 0.225 1
1 520 . 12 1 1 A 54 54 TYR CA C 54 55.016 56.590 -1.574 1
1 521 . 12 1 1 A 54 54 TYR CB C 54 40.147 43.502 -3.355 1
1 526 . 12 1 1 A 54 54 TYR N N 54 114.754 118.914 -4.160 1
1 527 . 12 1 1 A 55 55 GLY H H 55 9.666 8.230 1.436 1
1 528 . 12 1 1 A 55 55 GLY HA2 H 55 4.653 4.242 0.411 1
1 529 . 12 1 1 A 55 55 GLY HA3 H 55 3.343 4.255 -0.912 1
1 530 . 12 1 1 A 55 55 GLY CA C 55 44.332 45.461 -1.129 1
1 531 . 12 1 1 A 55 55 GLY N N 55 110.691 108.478 2.213 1
1 532 . 12 1 1 A 56 56 LEU H H 56 8.542 9.011 -0.469 1
1 533 . 12 1 1 A 56 56 LEU HA H 56 5.138 4.883 0.255 1
1 543 . 12 1 1 A 56 56 LEU CA C 56 54.213 53.686 0.527 1
1 544 . 12 1 1 A 56 56 LEU CB C 56 45.206 43.504 1.702 1
1 548 . 12 1 1 A 56 56 LEU N N 56 125.972 126.786 -0.814 1
1 549 . 12 1 1 A 57 57 ALA H H 57 8.594 8.953 -0.359 1
1 550 . 12 1 1 A 57 57 ALA HA H 57 4.790 4.966 -0.176 1
1 554 . 12 1 1 A 57 57 ALA CA C 57 51.318 50.558 0.760 1
1 555 . 12 1 1 A 57 57 ALA CB C 57 22.564 20.296 2.268 1
1 556 . 12 1 1 A 57 57 ALA N N 57 124.534 126.783 -2.249 1
1 557 . 12 1 1 A 58 58 THR H H 58 8.602 9.021 -0.419 1
1 558 . 12 1 1 A 58 58 THR HA H 58 4.862 4.639 0.223 1
1 563 . 12 1 1 A 58 58 THR CA C 58 62.034 60.707 1.327 1
1 564 . 12 1 1 A 58 58 THR CB C 58 72.197 70.829 1.368 1
1 566 . 12 1 1 A 58 58 THR N N 58 119.396 119.363 0.033 1
1 567 . 12 1 1 A 59 59 GLU H H 59 8.883 8.521 0.362 1
1 568 . 12 1 1 A 59 59 GLU HA H 59 4.378 4.487 -0.109 1
1 573 . 12 1 1 A 59 59 GLU CA C 59 54.955 54.873 0.082 1
1 574 . 12 1 1 A 59 59 GLU CB C 59 31.121 30.359 0.762 1
1 576 . 12 1 1 A 59 59 GLU N N 59 128.594 127.547 1.047 1
1 577 . 12 1 1 A 60 60 GLY H H 60 9.045 8.843 0.202 1
1 578 . 12 1 1 A 60 60 GLY HA2 H 60 4.081 3.847 0.234 1
1 579 . 12 1 1 A 60 60 GLY HA3 H 60 3.529 3.850 -0.321 1
1 580 . 12 1 1 A 60 60 GLY CA C 60 47.127 47.204 -0.077 1
1 581 . 12 1 1 A 60 60 GLY N N 60 117.047 115.413 1.634 1
1 582 . 12 1 1 A 61 61 THR H H 61 8.332 8.638 -0.306 1
1 583 . 12 1 1 A 61 61 THR HA H 61 4.129 4.402 -0.273 1
1 588 . 12 1 1 A 61 61 THR CA C 61 61.659 62.611 -0.952 1
1 589 . 12 1 1 A 61 61 THR CB C 61 68.477 70.034 -1.557 1
1 591 . 12 1 1 A 61 61 THR N N 61 118.086 119.553 -1.467 1
1 592 . 12 1 1 A 62 62 ARG H H 62 7.906 7.246 0.660 1
1 593 . 12 1 1 A 62 62 ARG HA H 62 4.754 4.843 -0.089 1
1 600 . 12 1 1 A 62 62 ARG CA C 62 56.040 55.157 0.883 1
1 601 . 12 1 1 A 62 62 ARG CB C 62 31.775 31.928 -0.153 1
1 604 . 12 1 1 A 62 62 ARG N N 62 121.911 123.520 -1.609 1
1 605 . 12 1 1 A 63 63 HIS H H 63 9.212 9.336 -0.124 1
1 606 . 12 1 1 A 63 63 HIS HA H 63 5.364 5.456 -0.092 1
1 611 . 12 1 1 A 63 63 HIS CA C 63 55.066 54.417 0.649 1
1 612 . 12 1 1 A 63 63 HIS CB C 63 33.860 33.084 0.776 1
1 614 . 12 1 1 A 63 63 HIS N N 63 127.111 125.090 2.021 1
1 615 . 12 1 1 A 64 64 THR H H 64 9.261 8.467 0.794 1
1 616 . 12 1 1 A 64 64 THR HA H 64 5.510 5.302 0.208 1
1 621 . 12 1 1 A 64 64 THR CA C 64 60.691 61.563 -0.872 1
1 622 . 12 1 1 A 64 64 THR CB C 64 71.788 71.793 -0.005 1
1 624 . 12 1 1 A 64 64 THR N N 64 117.400 114.541 2.859 1
1 625 . 12 1 1 A 65 65 LEU H H 65 8.456 8.969 -0.513 1
1 626 . 12 1 1 A 65 65 LEU HA H 65 4.642 4.794 -0.152 1
1 636 . 12 1 1 A 65 65 LEU CA C 65 52.783 52.879 -0.096 1
1 637 . 12 1 1 A 65 65 LEU CB C 65 41.350 43.526 -2.176 1
1 641 . 12 1 1 A 65 65 LEU N N 65 129.806 129.843 -0.037 1
1 642 . 12 1 1 A 66 66 THR H H 66 9.381 9.317 0.064 1
1 643 . 12 1 1 A 66 66 THR HA H 66 4.975 4.863 0.112 1
1 648 . 12 1 1 A 66 66 THR CA C 66 61.072 61.867 -0.795 1
1 649 . 12 1 1 A 66 66 THR CB C 66 70.346 70.596 -0.250 1
1 651 . 12 1 1 A 66 66 THR N N 66 123.110 124.255 -1.145 1
1 652 . 12 1 1 A 67 67 VAL H H 67 9.493 9.062 0.431 1
1 653 . 12 1 1 A 67 67 VAL HA H 67 4.317 4.522 -0.205 1
1 661 . 12 1 1 A 67 67 VAL CA C 67 61.300 61.594 -0.294 1
1 662 . 12 1 1 A 67 67 VAL CB C 67 31.636 34.425 -2.789 1
1 665 . 12 1 1 A 67 67 VAL N N 67 128.451 126.205 2.246 1
1 666 . 12 1 1 A 68 68 ARG H H 68 8.500 8.650 -0.150 1
1 667 . 12 1 1 A 68 68 ARG HA H 68 3.839 4.327 -0.488 1
1 674 . 12 1 1 A 68 68 ARG CA C 68 57.379 56.847 0.532 1
1 675 . 12 1 1 A 68 68 ARG CB C 68 30.481 30.555 -0.074 1
1 678 . 12 1 1 A 68 68 ARG N N 68 124.308 126.865 -2.557 1
1 679 . 12 1 1 A 69 69 GLU H H 69 8.545 7.940 0.605 1
1 680 . 12 1 1 A 69 69 GLU HA H 69 3.147 4.096 -0.949 1
1 685 . 12 1 1 A 69 69 GLU CA C 69 55.733 58.021 -2.288 1
1 686 . 12 1 1 A 69 69 GLU CB C 69 28.793 29.672 -0.879 1
1 688 . 12 1 1 A 69 69 GLU N N 69 118.177 119.498 -1.321 1
1 689 . 12 1 1 A 70 70 VAL H H 70 7.771 7.277 0.494 1
1 690 . 12 1 1 A 70 70 VAL HA H 70 3.810 3.989 -0.179 1
1 698 . 12 1 1 A 70 70 VAL CA C 70 63.848 62.683 1.165 1
1 699 . 12 1 1 A 70 70 VAL CB C 70 31.885 32.266 -0.381 1
1 702 . 12 1 1 A 70 70 VAL N N 70 117.579 119.400 -1.821 1
1 703 . 12 1 1 A 71 71 GLY H H 71 9.389 8.325 1.064 1
1 704 . 12 1 1 A 71 71 GLY HA2 H 71 4.470 4.225 0.245 1
1 705 . 12 1 1 A 71 71 GLY HA3 H 71 3.895 4.230 -0.335 1
1 706 . 12 1 1 A 71 71 GLY CA C 71 43.915 45.429 -1.514 1
1 707 . 12 1 1 A 71 71 GLY N N 71 114.169 114.262 -0.093 1
1 708 . 12 1 1 A 72 72 PRO HA H 72 4.038 4.443 -0.405 1
1 715 . 12 1 1 A 72 72 PRO CA C 72 65.800 64.608 1.192 1
1 716 . 12 1 1 A 72 72 PRO CB C 72 31.553 31.794 -0.241 1
1 719 . 12 1 1 A 73 73 ALA H H 73 8.558 8.321 0.237 1
1 720 . 12 1 1 A 73 73 ALA HA H 73 4.186 4.286 -0.100 1
1 724 . 12 1 1 A 73 73 ALA CA C 73 53.826 53.481 0.345 1
1 725 . 12 1 1 A 73 73 ALA CB C 73 18.152 19.103 -0.951 1
1 726 . 12 1 1 A 73 73 ALA N N 73 118.164 119.907 -1.743 1
1 727 . 12 1 1 A 74 74 ASP H H 74 8.381 7.675 0.706 1
1 728 . 12 1 1 A 74 74 ASP HA H 74 4.586 4.732 -0.146 1
1 731 . 12 1 1 A 74 74 ASP CA C 74 55.178 54.297 0.881 1
1 732 . 12 1 1 A 74 74 ASP CB C 74 42.280 41.999 0.281 1
1 733 . 12 1 1 A 74 74 ASP N N 74 113.856 116.950 -3.094 1
1 734 . 12 1 1 A 75 75 GLN H H 75 7.409 7.432 -0.023 1
1 735 . 12 1 1 A 75 75 GLN HA H 75 4.252 4.297 -0.045 1
1 740 . 12 1 1 A 75 75 GLN CA C 75 56.682 56.648 0.034 1
1 741 . 12 1 1 A 75 75 GLN CB C 75 30.337 28.782 1.555 1
1 743 . 12 1 1 A 75 75 GLN N N 75 119.456 119.449 0.007 1
1 744 . 12 1 1 A 76 76 GLY H H 76 8.984 8.387 0.597 1
1 745 . 12 1 1 A 76 76 GLY HA2 H 76 4.610 4.270 0.340 1
1 746 . 12 1 1 A 76 76 GLY HA3 H 76 3.863 4.285 -0.422 1
1 747 . 12 1 1 A 76 76 GLY CA C 76 44.149 46.261 -2.112 1
1 748 . 12 1 1 A 76 76 GLY N N 76 112.000 109.796 2.204 1
1 749 . 12 1 1 A 77 77 SER H H 77 8.106 8.716 -0.610 1
1 750 . 12 1 1 A 77 77 SER HA H 77 5.009 5.394 -0.385 1
1 753 . 12 1 1 A 77 77 SER CA C 77 58.199 56.467 1.732 1
1 754 . 12 1 1 A 77 77 SER CB C 77 64.099 66.774 -2.675 1
1 755 . 12 1 1 A 77 77 SER N N 77 114.587 116.720 -2.133 1
1 756 . 12 1 1 A 78 78 TYR H H 78 9.056 8.858 0.198 1
1 757 . 12 1 1 A 78 78 TYR HA H 78 4.530 4.955 -0.425 1
1 764 . 12 1 1 A 78 78 TYR CA C 78 56.450 56.012 0.438 1
1 765 . 12 1 1 A 78 78 TYR CB C 78 43.805 41.329 2.476 1
1 770 . 12 1 1 A 78 78 TYR N N 78 127.751 118.984 8.767 1
1 771 . 12 1 1 A 79 79 ALA H H 79 8.558 8.734 -0.176 1
1 772 . 12 1 1 A 79 79 ALA HA H 79 5.233 5.358 -0.125 1
1 776 . 12 1 1 A 79 79 ALA CA C 79 50.806 49.840 0.966 1
1 777 . 12 1 1 A 79 79 ALA CB C 79 23.130 22.550 0.580 1
1 778 . 12 1 1 A 79 79 ALA N N 79 118.647 125.557 -6.910 1
1 779 . 12 1 1 A 80 80 VAL H H 80 8.717 8.601 0.116 1
1 780 . 12 1 1 A 80 80 VAL HA H 80 4.905 4.488 0.417 1
1 788 . 12 1 1 A 80 80 VAL CA C 80 58.760 60.161 -1.401 1
1 789 . 12 1 1 A 80 80 VAL CB C 80 35.087 34.527 0.560 1
1 792 . 12 1 1 A 80 80 VAL N N 80 118.846 118.139 0.707 1
1 793 . 12 1 1 A 81 81 ILE H H 81 8.739 8.715 0.024 1
1 794 . 12 1 1 A 81 81 ILE HA H 81 5.012 5.175 -0.163 1
1 804 . 12 1 1 A 81 81 ILE CA C 81 59.751 59.662 0.089 1
1 805 . 12 1 1 A 81 81 ILE CB C 81 42.030 40.759 1.271 1
1 809 . 12 1 1 A 81 81 ILE N N 81 126.232 129.442 -3.210 1
1 810 . 12 1 1 A 82 82 ALA H H 82 8.388 8.742 -0.354 1
1 811 . 12 1 1 A 82 82 ALA HA H 82 4.449 4.452 -0.003 1
1 815 . 12 1 1 A 82 82 ALA CA C 82 50.839 50.609 0.230 1
1 816 . 12 1 1 A 82 82 ALA CB C 82 21.160 19.723 1.437 1
1 817 . 12 1 1 A 82 82 ALA N N 82 128.273 128.028 0.245 1
1 818 . 12 1 1 A 83 83 GLY H H 83 8.841 8.881 -0.040 1
1 819 . 12 1 1 A 83 83 GLY HA2 H 83 3.815 3.852 -0.037 1
1 820 . 12 1 1 A 83 83 GLY HA3 H 83 3.509 3.859 -0.350 1
1 821 . 12 1 1 A 83 83 GLY CA C 83 46.917 47.238 -0.321 1
1 822 . 12 1 1 A 83 83 GLY N N 83 113.065 114.940 -1.875 1
1 823 . 12 1 1 A 85 85 SER H H 85 8.423 7.917 0.506 1
1 824 . 12 1 1 A 85 85 SER HA H 85 4.659 4.373 0.286 1
1 827 . 12 1 1 A 85 85 SER CA C 85 58.485 58.900 -0.415 1
1 828 . 12 1 1 A 85 85 SER CB C 85 64.397 63.842 0.555 1
1 829 . 12 1 1 A 85 85 SER N N 85 119.428 116.522 2.906 1
1 830 . 12 1 1 A 86 86 LYS H H 86 8.490 8.824 -0.334 1
1 831 . 12 1 1 A 86 86 LYS HA H 86 5.243 5.011 0.232 1
1 840 . 12 1 1 A 86 86 LYS CA C 86 54.822 54.814 0.008 1
1 841 . 12 1 1 A 86 86 LYS CB C 86 35.340 35.054 0.286 1
1 845 . 12 1 1 A 86 86 LYS N N 86 125.678 127.950 -2.272 1
1 846 . 12 1 1 A 87 87 VAL H H 87 8.863 8.578 0.285 1
1 847 . 12 1 1 A 87 87 VAL HA H 87 4.300 4.844 -0.544 1
1 855 . 12 1 1 A 87 87 VAL CA C 87 60.870 59.191 1.679 1
1 856 . 12 1 1 A 87 87 VAL CB C 87 34.228 35.322 -1.094 1
1 859 . 12 1 1 A 87 87 VAL N N 87 126.631 125.648 0.983 1
1 860 . 12 1 1 A 88 88 LYS H H 88 8.475 8.951 -0.476 1
1 861 . 12 1 1 A 88 88 LYS HA H 88 5.065 4.966 0.099 1
1 870 . 12 1 1 A 88 88 LYS CA C 88 55.124 54.367 0.757 1
1 871 . 12 1 1 A 88 88 LYS CB C 88 34.479 36.052 -1.573 1
1 874 . 12 1 1 A 88 88 LYS N N 88 125.592 125.383 0.209 1
1 875 . 12 1 1 A 89 89 PHE H H 89 8.152 8.147 0.005 1
1 876 . 12 1 1 A 89 89 PHE HA H 89 4.601 5.612 -1.011 1
1 884 . 12 1 1 A 89 89 PHE CA C 89 56.311 54.946 1.365 1
1 885 . 12 1 1 A 89 89 PHE CB C 89 39.383 42.187 -2.804 1
1 888 . 12 1 1 A 89 89 PHE N N 89 119.005 117.546 1.459 1
1 889 . 12 1 1 A 90 90 ASP H H 90 9.006 9.001 0.005 1
1 890 . 12 1 1 A 90 90 ASP HA H 90 5.565 5.406 0.159 1
1 893 . 12 1 1 A 90 90 ASP CA C 90 53.532 53.859 -0.327 1
1 894 . 12 1 1 A 90 90 ASP CB C 90 45.151 43.340 1.811 1
1 895 . 12 1 1 A 90 90 ASP N N 90 118.742 119.827 -1.085 1
1 896 . 12 1 1 A 91 91 LEU H H 91 8.733 8.620 0.113 1
1 897 . 12 1 1 A 91 91 LEU HA H 91 5.137 5.176 -0.039 1
1 907 . 12 1 1 A 91 91 LEU CA C 91 54.171 53.669 0.502 1
1 908 . 12 1 1 A 91 91 LEU CB C 91 45.625 44.820 0.805 1
1 911 . 12 1 1 A 91 91 LEU N N 91 121.344 125.759 -4.415 1
1 912 . 12 1 1 A 92 92 LYS H H 92 8.892 8.634 0.258 1
1 913 . 12 1 1 A 92 92 LYS HA H 92 4.733 4.818 -0.085 1
1 922 . 12 1 1 A 92 92 LYS CA C 92 54.910 55.886 -0.976 1
1 923 . 12 1 1 A 92 92 LYS CB C 92 35.261 33.854 1.407 1
1 927 . 12 1 1 A 92 92 LYS N N 92 128.486 126.956 1.530 1
1 928 . 12 1 1 A 93 93 VAL H H 93 8.563 8.684 -0.121 1
1 929 . 12 1 1 A 93 93 VAL HA H 93 4.818 5.258 -0.440 1
1 937 . 12 1 1 A 93 93 VAL CA C 93 60.568 60.988 -0.420 1
1 938 . 12 1 1 A 93 93 VAL CB C 93 33.024 34.574 -1.550 1
1 941 . 12 1 1 A 93 93 VAL N N 93 124.459 122.514 1.945 1
1 942 . 12 1 1 A 94 94 ILE H H 94 8.395 8.803 -0.408 1
1 943 . 12 1 1 A 94 94 ILE HA H 94 4.162 4.936 -0.774 1
1 953 . 12 1 1 A 94 94 ILE CA C 94 60.238 59.588 0.650 1
1 954 . 12 1 1 A 94 94 ILE CB C 94 39.279 40.938 -1.659 1
1 958 . 12 1 1 A 94 94 ILE N N 94 126.433 126.300 0.133 1
1 1 . 13 1 1 A 3 3 PRO HA H 3 4.235 4.538 -0.303 1
1 8 . 13 1 1 A 3 3 PRO CA C 3 63.375 62.298 1.077 1
1 9 . 13 1 1 A 3 3 PRO CB C 3 31.835 33.255 -1.420 1
1 11 . 13 1 1 A 4 4 GLY H H 4 8.439 7.997 0.442 1
1 12 . 13 1 1 A 4 4 GLY HA2 H 4 3.854 3.828 0.026 1
1 13 . 13 1 1 A 4 4 GLY HA3 H 4 3.819 3.828 -0.009 1
1 14 . 13 1 1 A 4 4 GLY CA C 4 45.043 47.002 -1.959 1
1 15 . 13 1 1 A 4 4 GLY N N 4 108.904 106.371 2.533 1
1 16 . 13 1 1 A 5 5 LYS H H 5 7.974 7.569 0.405 1
1 17 . 13 1 1 A 5 5 LYS HA H 5 4.265 4.887 -0.622 1
1 26 . 13 1 1 A 5 5 LYS CA C 5 55.709 54.400 1.309 1
1 27 . 13 1 1 A 5 5 LYS CB C 5 33.081 35.415 -2.334 1
1 31 . 13 1 1 A 5 5 LYS N N 5 120.616 118.023 2.593 1
1 32 . 13 1 1 A 6 6 LYS H H 6 8.291 8.585 -0.294 1
1 33 . 13 1 1 A 6 6 LYS HA H 6 4.505 4.876 -0.371 1
1 36 . 13 1 1 A 6 6 LYS CA C 6 54.105 53.956 0.149 1
1 37 . 13 1 1 A 6 6 LYS CB C 6 32.381 33.574 -1.193 1
1 38 . 13 1 1 A 6 6 LYS N N 6 124.267 119.771 4.496 1
1 39 . 13 1 1 A 7 7 PRO HA H 7 4.371 4.455 -0.084 1
1 46 . 13 1 1 A 7 7 PRO CA C 7 62.738 62.745 -0.007 1
1 47 . 13 1 1 A 7 7 PRO CB C 7 31.942 31.751 0.191 1
1 50 . 13 1 1 A 8 8 VAL H H 8 8.244 8.316 -0.072 1
1 51 . 13 1 1 A 8 8 VAL HA H 8 4.012 4.017 -0.005 1
1 59 . 13 1 1 A 8 8 VAL CA C 8 61.883 62.460 -0.577 1
1 60 . 13 1 1 A 8 8 VAL CB C 8 32.743 30.495 2.248 1
1 63 . 13 1 1 A 8 8 VAL N N 8 120.593 123.425 -2.832 1
1 64 . 13 1 1 A 9 9 SER H H 9 8.296 8.824 -0.528 1
1 65 . 13 1 1 A 9 9 SER HA H 9 4.315 5.016 -0.701 1
1 68 . 13 1 1 A 9 9 SER CA C 9 57.429 55.596 1.833 1
1 69 . 13 1 1 A 9 9 SER CB C 9 63.804 66.187 -2.383 1
1 70 . 13 1 1 A 9 9 SER N N 9 118.557 122.616 -4.059 1
1 71 . 13 1 1 A 10 10 ALA H H 10 8.214 8.464 -0.250 1
1 72 . 13 1 1 A 10 10 ALA HA H 10 4.069 4.647 -0.578 1
1 76 . 13 1 1 A 10 10 ALA CA C 10 53.042 51.322 1.720 1
1 77 . 13 1 1 A 10 10 ALA CB C 10 19.919 20.097 -0.178 1
1 78 . 13 1 1 A 10 10 ALA N N 10 125.277 125.038 0.239 1
1 79 . 13 1 1 A 11 11 PHE H H 11 8.238 7.795 0.443 1
1 80 . 13 1 1 A 11 11 PHE HA H 11 4.816 5.004 -0.188 1
1 88 . 13 1 1 A 11 11 PHE CA C 11 57.727 56.253 1.474 1
1 89 . 13 1 1 A 11 11 PHE CB C 11 39.854 38.649 1.205 1
1 94 . 13 1 1 A 11 11 PHE N N 11 114.771 118.061 -3.290 1
1 95 . 13 1 1 A 12 12 SER H H 12 8.809 8.885 -0.076 1
1 96 . 13 1 1 A 12 12 SER HA H 12 4.395 4.310 0.085 1
1 99 . 13 1 1 A 12 12 SER CA C 12 58.641 61.187 -2.546 1
1 100 . 13 1 1 A 12 12 SER CB C 12 63.274 63.047 0.227 1
1 101 . 13 1 1 A 12 12 SER N N 12 119.399 121.119 -1.720 1
1 102 . 13 1 1 A 13 13 LYS H H 13 7.884 7.906 -0.022 1
1 103 . 13 1 1 A 13 13 LYS HA H 13 4.575 4.864 -0.289 1
1 112 . 13 1 1 A 13 13 LYS CA C 13 56.362 55.106 1.256 1
1 113 . 13 1 1 A 13 13 LYS CB C 13 35.664 35.319 0.345 1
1 114 . 13 1 1 A 13 13 LYS N N 13 121.565 120.376 1.189 1
1 115 . 13 1 1 A 14 14 LYS H H 14 8.744 8.579 0.165 1
1 116 . 13 1 1 A 14 14 LYS HA H 14 4.313 4.503 -0.190 1
1 123 . 13 1 1 A 14 14 LYS CA C 14 53.374 54.370 -0.996 1
1 124 . 13 1 1 A 14 14 LYS CB C 14 32.741 33.033 -0.292 1
1 127 . 13 1 1 A 14 14 LYS N N 14 125.096 127.822 -2.726 1
1 128 . 13 1 1 A 15 15 PRO HA H 15 4.693 4.883 -0.190 1
1 135 . 13 1 1 A 15 15 PRO CA C 15 62.248 62.194 0.054 1
1 136 . 13 1 1 A 15 15 PRO CB C 15 31.343 29.237 2.106 1
1 139 . 13 1 1 A 16 16 ARG H H 16 8.118 7.918 0.200 1
1 140 . 13 1 1 A 16 16 ARG HA H 16 4.592 4.408 0.184 1
1 147 . 13 1 1 A 16 16 ARG CA C 16 53.951 56.898 -2.947 1
1 148 . 13 1 1 A 16 16 ARG CB C 16 32.456 31.106 1.350 1
1 151 . 13 1 1 A 16 16 ARG N N 16 119.622 124.032 -4.410 1
1 152 . 13 1 1 A 17 17 SER H H 17 8.511 8.625 -0.114 1
1 153 . 13 1 1 A 17 17 SER HA H 17 5.281 4.737 0.544 1
1 156 . 13 1 1 A 17 17 SER CA C 17 59.888 58.468 1.420 1
1 157 . 13 1 1 A 17 17 SER CB C 17 63.405 64.521 -1.116 1
1 158 . 13 1 1 A 17 17 SER N N 17 117.935 115.847 2.088 1
1 159 . 13 1 1 A 18 18 VAL H H 18 8.389 8.128 0.261 1
1 160 . 13 1 1 A 18 18 VAL HA H 18 4.660 4.774 -0.114 1
1 168 . 13 1 1 A 18 18 VAL CA C 18 60.004 60.505 -0.501 1
1 169 . 13 1 1 A 18 18 VAL CB C 18 36.675 35.717 0.958 1
1 172 . 13 1 1 A 18 18 VAL N N 18 117.416 122.002 -4.586 1
1 173 . 13 1 1 A 19 19 GLU H H 19 8.190 8.759 -0.569 1
1 174 . 13 1 1 A 19 19 GLU HA H 19 5.351 5.536 -0.185 1
1 179 . 13 1 1 A 19 19 GLU CA C 19 54.138 54.819 -0.681 1
1 180 . 13 1 1 A 19 19 GLU CB C 19 31.658 32.325 -0.667 1
1 181 . 13 1 1 A 19 19 GLU N N 19 124.652 122.902 1.750 1
1 182 . 13 1 1 A 20 20 VAL H H 20 8.616 8.638 -0.022 1
1 183 . 13 1 1 A 20 20 VAL HA H 20 4.491 4.711 -0.220 1
1 191 . 13 1 1 A 20 20 VAL CA C 20 59.013 59.478 -0.465 1
1 192 . 13 1 1 A 20 20 VAL CB C 20 36.048 35.584 0.464 1
1 195 . 13 1 1 A 20 20 VAL N N 20 120.245 119.146 1.099 1
1 196 . 13 1 1 A 21 21 ALA H H 21 8.375 8.650 -0.275 1
1 197 . 13 1 1 A 21 21 ALA HA H 21 4.364 4.589 -0.225 1
1 201 . 13 1 1 A 21 21 ALA CA C 21 51.307 51.921 -0.614 1
1 202 . 13 1 1 A 21 21 ALA CB C 21 18.726 19.061 -0.335 1
1 203 . 13 1 1 A 21 21 ALA N N 21 126.173 125.958 0.215 1
1 204 . 13 1 1 A 22 22 ALA H H 22 8.287 8.104 0.183 1
1 205 . 13 1 1 A 22 22 ALA HA H 22 3.899 3.983 -0.084 1
1 209 . 13 1 1 A 22 22 ALA CA C 22 53.104 53.987 -0.883 1
1 210 . 13 1 1 A 22 22 ALA CB C 22 17.631 18.452 -0.821 1
1 211 . 13 1 1 A 22 22 ALA N N 22 123.045 123.319 -0.274 1
1 212 . 13 1 1 A 23 23 GLY H H 23 9.862 8.849 1.013 1
1 213 . 13 1 1 A 23 23 GLY HA2 H 23 3.255 3.991 -0.736 1
1 214 . 13 1 1 A 23 23 GLY HA3 H 23 4.371 3.994 0.377 1
1 215 . 13 1 1 A 23 23 GLY CA C 23 44.741 45.008 -0.267 1
1 216 . 13 1 1 A 23 23 GLY N N 23 112.047 111.599 0.448 1
1 217 . 13 1 1 A 24 24 SER H H 24 7.944 8.025 -0.081 1
1 218 . 13 1 1 A 24 24 SER HA H 24 4.750 4.397 0.353 1
1 221 . 13 1 1 A 24 24 SER CA C 24 57.787 57.873 -0.086 1
1 222 . 13 1 1 A 24 24 SER CB C 24 63.296 63.714 -0.418 1
1 223 . 13 1 1 A 24 24 SER N N 24 119.405 117.692 1.713 1
1 224 . 13 1 1 A 25 25 PRO HA H 25 5.142 4.637 0.505 1
1 231 . 13 1 1 A 25 25 PRO CA C 25 61.743 62.681 -0.938 1
1 232 . 13 1 1 A 25 25 PRO CB C 25 31.751 32.024 -0.273 1
1 235 . 13 1 1 A 26 26 ALA H H 26 8.688 8.364 0.324 1
1 236 . 13 1 1 A 26 26 ALA HA H 26 4.396 4.777 -0.381 1
1 240 . 13 1 1 A 26 26 ALA CA C 26 49.972 50.427 -0.455 1
1 241 . 13 1 1 A 26 26 ALA CB C 26 22.877 21.722 1.155 1
1 242 . 13 1 1 A 26 26 ALA N N 26 123.024 124.988 -1.964 1
1 243 . 13 1 1 A 27 27 VAL H H 27 7.751 8.621 -0.870 1
1 244 . 13 1 1 A 27 27 VAL HA H 27 4.522 5.139 -0.617 1
1 252 . 13 1 1 A 27 27 VAL CA C 27 60.899 59.078 1.821 1
1 253 . 13 1 1 A 27 27 VAL CB C 27 33.331 34.777 -1.446 1
1 255 . 13 1 1 A 27 27 VAL N N 27 121.938 122.458 -0.520 1
1 256 . 13 1 1 A 28 28 PHE H H 28 9.196 9.106 0.090 1
1 257 . 13 1 1 A 28 28 PHE HA H 28 4.561 5.022 -0.461 1
1 265 . 13 1 1 A 28 28 PHE CA C 28 56.051 56.319 -0.268 1
1 266 . 13 1 1 A 28 28 PHE CB C 28 42.218 41.667 0.551 1
1 271 . 13 1 1 A 28 28 PHE N N 28 126.818 126.255 0.563 1
1 272 . 13 1 1 A 29 29 GLU H H 29 8.583 8.991 -0.408 1
1 273 . 13 1 1 A 29 29 GLU HA H 29 5.405 4.961 0.444 1
1 278 . 13 1 1 A 29 29 GLU CA C 29 54.508 55.794 -1.286 1
1 279 . 13 1 1 A 29 29 GLU CB C 29 33.692 30.682 3.010 1
1 280 . 13 1 1 A 29 29 GLU N N 29 120.733 123.387 -2.654 1
1 281 . 13 1 1 A 30 30 ALA H H 30 9.484 9.562 -0.078 1
1 282 . 13 1 1 A 30 30 ALA HA H 30 4.691 5.352 -0.661 1
1 286 . 13 1 1 A 30 30 ALA CA C 30 49.421 50.716 -1.295 1
1 287 . 13 1 1 A 30 30 ALA CB C 30 23.523 21.593 1.930 1
1 288 . 13 1 1 A 30 30 ALA N N 30 124.341 127.400 -3.059 1
1 289 . 13 1 1 A 31 31 GLU H H 31 9.001 9.492 -0.491 1
1 290 . 13 1 1 A 31 31 GLU HA H 31 6.016 5.021 0.995 1
1 295 . 13 1 1 A 31 31 GLU CA C 31 54.301 55.359 -1.058 1
1 296 . 13 1 1 A 31 31 GLU CB C 31 33.336 31.965 1.371 1
1 298 . 13 1 1 A 31 31 GLU N N 31 120.169 124.460 -4.291 1
1 299 . 13 1 1 A 32 32 THR H H 32 9.330 8.889 0.441 1
1 300 . 13 1 1 A 32 32 THR HA H 32 4.842 4.434 0.408 1
1 305 . 13 1 1 A 32 32 THR CA C 32 59.738 59.926 -0.188 1
1 306 . 13 1 1 A 32 32 THR CB C 32 69.791 71.360 -1.569 1
1 308 . 13 1 1 A 32 32 THR N N 32 115.538 116.463 -0.925 1
1 309 . 13 1 1 A 33 33 GLU H H 33 7.950 8.746 -0.796 1
1 310 . 13 1 1 A 33 33 GLU HA H 33 3.944 4.406 -0.462 1
1 315 . 13 1 1 A 33 33 GLU CA C 33 58.563 57.422 1.141 1
1 316 . 13 1 1 A 33 33 GLU CB C 33 29.836 29.834 0.002 1
1 318 . 13 1 1 A 33 33 GLU N N 33 119.723 121.292 -1.569 1
1 319 . 13 1 1 A 34 34 ARG H H 34 7.791 7.489 0.302 1
1 320 . 13 1 1 A 34 34 ARG HA H 34 4.490 4.750 -0.260 1
1 327 . 13 1 1 A 34 34 ARG CA C 34 53.485 54.249 -0.764 1
1 328 . 13 1 1 A 34 34 ARG CB C 34 32.411 34.013 -1.602 1
1 331 . 13 1 1 A 34 34 ARG N N 34 113.251 118.777 -5.526 1
1 332 . 13 1 1 A 35 35 ALA H H 35 8.614 8.518 0.096 1
1 333 . 13 1 1 A 35 35 ALA HA H 35 4.050 4.592 -0.542 1
1 337 . 13 1 1 A 35 35 ALA CA C 35 51.762 52.501 -0.739 1
1 338 . 13 1 1 A 35 35 ALA N N 35 125.041 125.919 -0.878 1
1 339 . 13 1 1 A 36 36 GLY H H 36 8.647 8.957 -0.310 1
1 340 . 13 1 1 A 36 36 GLY HA2 H 36 3.634 3.999 -0.365 1
1 341 . 13 1 1 A 36 36 GLY HA3 H 36 3.960 4.014 -0.054 1
1 342 . 13 1 1 A 36 36 GLY CA C 36 45.703 45.002 0.701 1
1 343 . 13 1 1 A 36 36 GLY N N 36 108.031 110.592 -2.561 1
1 344 . 13 1 1 A 37 37 VAL H H 37 7.077 7.787 -0.710 1
1 345 . 13 1 1 A 37 37 VAL HA H 37 3.869 4.138 -0.269 1
1 353 . 13 1 1 A 37 37 VAL CA C 37 61.469 61.801 -0.332 1
1 354 . 13 1 1 A 37 37 VAL CB C 37 32.942 32.121 0.821 1
1 357 . 13 1 1 A 37 37 VAL N N 37 119.457 119.243 0.214 1
1 358 . 13 1 1 A 38 38 LYS H H 38 8.467 8.382 0.085 1
1 359 . 13 1 1 A 38 38 LYS HA H 38 4.267 4.765 -0.498 1
1 366 . 13 1 1 A 38 38 LYS CA C 38 55.873 55.952 -0.079 1
1 367 . 13 1 1 A 38 38 LYS CB C 38 30.881 32.930 -2.049 1
1 370 . 13 1 1 A 38 38 LYS N N 38 128.214 125.874 2.340 1
1 371 . 13 1 1 A 39 39 VAL H H 39 7.993 8.387 -0.394 1
1 372 . 13 1 1 A 39 39 VAL HA H 39 4.537 4.129 0.408 1
1 380 . 13 1 1 A 39 39 VAL CA C 39 60.114 62.089 -1.975 1
1 381 . 13 1 1 A 39 39 VAL CB C 39 33.719 30.951 2.768 1
1 384 . 13 1 1 A 39 39 VAL N N 39 123.133 126.298 -3.165 1
1 385 . 13 1 1 A 40 40 ARG H H 40 8.507 8.451 0.056 1
1 386 . 13 1 1 A 40 40 ARG HA H 40 4.503 4.733 -0.230 1
1 393 . 13 1 1 A 40 40 ARG CA C 40 54.098 55.937 -1.839 1
1 394 . 13 1 1 A 40 40 ARG CB C 40 33.701 30.790 2.911 1
1 397 . 13 1 1 A 40 40 ARG N N 40 124.492 125.802 -1.310 1
1 398 . 13 1 1 A 41 41 TRP H H 41 9.083 8.983 0.100 1
1 399 . 13 1 1 A 41 41 TRP HA H 41 5.311 5.457 -0.146 1
1 408 . 13 1 1 A 41 41 TRP CA C 41 55.134 55.918 -0.784 1
1 409 . 13 1 1 A 41 41 TRP CB C 41 31.370 32.775 -1.405 1
1 413 . 13 1 1 A 41 41 TRP N N 41 123.367 121.679 1.688 1
1 415 . 13 1 1 A 42 42 GLN H H 42 9.532 9.109 0.423 1
1 416 . 13 1 1 A 42 42 GLN HA H 42 5.159 4.789 0.370 1
1 423 . 13 1 1 A 42 42 GLN CA C 42 54.445 54.505 -0.060 1
1 424 . 13 1 1 A 42 42 GLN CB C 42 34.775 32.780 1.995 1
1 426 . 13 1 1 A 42 42 GLN N N 42 118.692 122.001 -3.309 1
1 427 . 13 1 1 A 43 43 ARG H H 43 8.209 8.969 -0.760 1
1 428 . 13 1 1 A 43 43 ARG HA H 43 4.039 4.138 -0.099 1
1 435 . 13 1 1 A 43 43 ARG CA C 43 54.790 54.595 0.195 1
1 436 . 13 1 1 A 43 43 ARG CB C 43 32.202 31.357 0.845 1
1 439 . 13 1 1 A 43 43 ARG N N 43 119.579 126.722 -7.143 1
1 440 . 13 1 1 A 46 46 SER H H 46 7.513 7.473 0.040 1
1 441 . 13 1 1 A 46 46 SER HA H 46 4.674 4.654 0.020 1
1 444 . 13 1 1 A 46 46 SER CA C 46 56.766 57.105 -0.339 1
1 445 . 13 1 1 A 46 46 SER CB C 46 64.815 64.456 0.359 1
1 446 . 13 1 1 A 46 46 SER N N 46 114.927 116.597 -1.670 1
1 447 . 13 1 1 A 47 47 ASP H H 47 8.698 8.752 -0.054 1
1 448 . 13 1 1 A 47 47 ASP HA H 47 4.830 4.672 0.158 1
1 451 . 13 1 1 A 47 47 ASP CA C 47 55.177 54.260 0.917 1
1 452 . 13 1 1 A 47 47 ASP CB C 47 40.385 41.537 -1.152 1
1 453 . 13 1 1 A 47 47 ASP N N 47 125.553 127.224 -1.671 1
1 454 . 13 1 1 A 48 48 ILE H H 48 8.781 8.508 0.273 1
1 455 . 13 1 1 A 48 48 ILE HA H 48 3.879 4.751 -0.872 1
1 465 . 13 1 1 A 48 48 ILE CA C 48 61.218 59.820 1.398 1
1 466 . 13 1 1 A 48 48 ILE CB C 48 39.345 40.064 -0.719 1
1 470 . 13 1 1 A 48 48 ILE N N 48 124.032 124.136 -0.104 1
1 471 . 13 1 1 A 49 49 SER H H 49 7.963 8.574 -0.611 1
1 472 . 13 1 1 A 49 49 SER HA H 49 4.681 4.801 -0.120 1
1 475 . 13 1 1 A 49 49 SER CA C 49 56.256 56.938 -0.682 1
1 476 . 13 1 1 A 49 49 SER CB C 49 65.243 66.009 -0.766 1
1 477 . 13 1 1 A 49 49 SER N N 49 121.077 119.048 2.029 1
1 478 . 13 1 1 A 50 50 ALA H H 50 8.516 8.364 0.152 1
1 479 . 13 1 1 A 50 50 ALA HA H 50 4.302 4.585 -0.283 1
1 483 . 13 1 1 A 50 50 ALA CA C 50 53.052 52.169 0.883 1
1 484 . 13 1 1 A 50 50 ALA CB C 50 18.821 18.284 0.537 1
1 485 . 13 1 1 A 50 50 ALA N N 50 123.977 125.860 -1.883 1
1 486 . 13 1 1 A 51 51 SER H H 51 9.564 8.183 1.381 1
1 487 . 13 1 1 A 51 51 SER HA H 51 4.797 4.907 -0.110 1
1 490 . 13 1 1 A 51 51 SER CA C 51 56.946 57.202 -0.256 1
1 491 . 13 1 1 A 51 51 SER CB C 51 65.759 66.275 -0.516 1
1 492 . 13 1 1 A 51 51 SER N N 51 117.545 117.160 0.385 1
1 494 . 13 1 1 A 52 52 ASN CA C 52 55.930 54.172 1.758 1
1 495 . 13 1 1 A 52 52 ASN CB C 52 37.045 38.867 -1.822 1
1 496 . 13 1 1 A 53 53 LYS H H 53 8.053 8.873 -0.820 1
1 497 . 13 1 1 A 53 53 LYS HA H 53 3.995 3.975 0.020 1
1 506 . 13 1 1 A 53 53 LYS CA C 53 53.699 57.820 -4.121 1
1 507 . 13 1 1 A 53 53 LYS CB C 53 33.687 32.035 1.652 1
1 511 . 13 1 1 A 53 53 LYS N N 53 121.638 122.425 -0.787 1
1 512 . 13 1 1 A 54 54 TYR H H 54 6.779 7.778 -0.999 1
1 513 . 13 1 1 A 54 54 TYR HA H 54 5.484 5.305 0.179 1
1 520 . 13 1 1 A 54 54 TYR CA C 54 55.016 56.440 -1.424 1
1 521 . 13 1 1 A 54 54 TYR CB C 54 40.147 42.962 -2.815 1
1 526 . 13 1 1 A 54 54 TYR N N 54 114.754 118.661 -3.907 1
1 527 . 13 1 1 A 55 55 GLY H H 55 9.666 8.464 1.202 1
1 528 . 13 1 1 A 55 55 GLY HA2 H 55 4.653 4.282 0.371 1
1 529 . 13 1 1 A 55 55 GLY HA3 H 55 3.343 4.305 -0.962 1
1 530 . 13 1 1 A 55 55 GLY CA C 55 44.332 44.756 -0.424 1
1 531 . 13 1 1 A 55 55 GLY N N 55 110.691 109.748 0.943 1
1 532 . 13 1 1 A 56 56 LEU H H 56 8.542 9.139 -0.597 1
1 533 . 13 1 1 A 56 56 LEU HA H 56 5.138 4.873 0.265 1
1 543 . 13 1 1 A 56 56 LEU CA C 56 54.213 53.563 0.650 1
1 544 . 13 1 1 A 56 56 LEU CB C 56 45.206 42.770 2.436 1
1 548 . 13 1 1 A 56 56 LEU N N 56 125.972 127.214 -1.242 1
1 549 . 13 1 1 A 57 57 ALA H H 57 8.594 8.964 -0.370 1
1 550 . 13 1 1 A 57 57 ALA HA H 57 4.790 5.405 -0.615 1
1 554 . 13 1 1 A 57 57 ALA CA C 57 51.318 49.770 1.548 1
1 555 . 13 1 1 A 57 57 ALA CB C 57 22.564 22.861 -0.297 1
1 556 . 13 1 1 A 57 57 ALA N N 57 124.534 128.212 -3.678 1
1 557 . 13 1 1 A 58 58 THR H H 58 8.602 8.533 0.069 1
1 558 . 13 1 1 A 58 58 THR HA H 58 4.862 4.634 0.228 1
1 563 . 13 1 1 A 58 58 THR CA C 58 62.034 60.867 1.167 1
1 564 . 13 1 1 A 58 58 THR CB C 58 72.197 71.370 0.827 1
1 566 . 13 1 1 A 58 58 THR N N 58 119.396 113.735 5.661 1
1 567 . 13 1 1 A 59 59 GLU H H 59 8.883 8.726 0.157 1
1 568 . 13 1 1 A 59 59 GLU HA H 59 4.378 4.554 -0.176 1
1 573 . 13 1 1 A 59 59 GLU CA C 59 54.955 54.830 0.125 1
1 574 . 13 1 1 A 59 59 GLU CB C 59 31.121 30.588 0.533 1
1 576 . 13 1 1 A 59 59 GLU N N 59 128.594 127.705 0.889 1
1 577 . 13 1 1 A 60 60 GLY H H 60 9.045 8.813 0.232 1
1 578 . 13 1 1 A 60 60 GLY HA2 H 60 4.081 3.863 0.218 1
1 579 . 13 1 1 A 60 60 GLY HA3 H 60 3.529 3.863 -0.334 1
1 580 . 13 1 1 A 60 60 GLY CA C 60 47.127 47.222 -0.095 1
1 581 . 13 1 1 A 60 60 GLY N N 60 117.047 115.339 1.708 1
1 582 . 13 1 1 A 61 61 THR H H 61 8.332 8.624 -0.292 1
1 583 . 13 1 1 A 61 61 THR HA H 61 4.129 4.472 -0.343 1
1 588 . 13 1 1 A 61 61 THR CA C 61 61.659 62.902 -1.243 1
1 589 . 13 1 1 A 61 61 THR CB C 61 68.477 69.961 -1.484 1
1 591 . 13 1 1 A 61 61 THR N N 61 118.086 119.255 -1.169 1
1 592 . 13 1 1 A 62 62 ARG H H 62 7.906 7.272 0.634 1
1 593 . 13 1 1 A 62 62 ARG HA H 62 4.754 4.764 -0.010 1
1 600 . 13 1 1 A 62 62 ARG CA C 62 56.040 55.459 0.581 1
1 601 . 13 1 1 A 62 62 ARG CB C 62 31.775 30.886 0.889 1
1 604 . 13 1 1 A 62 62 ARG N N 62 121.911 120.669 1.242 1
1 605 . 13 1 1 A 63 63 HIS H H 63 9.212 9.605 -0.393 1
1 606 . 13 1 1 A 63 63 HIS HA H 63 5.364 5.249 0.115 1
1 611 . 13 1 1 A 63 63 HIS CA C 63 55.066 55.024 0.042 1
1 612 . 13 1 1 A 63 63 HIS CB C 63 33.860 32.534 1.326 1
1 614 . 13 1 1 A 63 63 HIS N N 63 127.111 123.852 3.259 1
1 615 . 13 1 1 A 64 64 THR H H 64 9.261 9.000 0.261 1
1 616 . 13 1 1 A 64 64 THR HA H 64 5.510 5.301 0.209 1
1 621 . 13 1 1 A 64 64 THR CA C 64 60.691 61.715 -1.024 1
1 622 . 13 1 1 A 64 64 THR CB C 64 71.788 71.451 0.337 1
1 624 . 13 1 1 A 64 64 THR N N 64 117.400 115.760 1.640 1
1 625 . 13 1 1 A 65 65 LEU H H 65 8.456 8.858 -0.402 1
1 626 . 13 1 1 A 65 65 LEU HA H 65 4.642 4.739 -0.097 1
1 636 . 13 1 1 A 65 65 LEU CA C 65 52.783 53.097 -0.314 1
1 637 . 13 1 1 A 65 65 LEU CB C 65 41.350 43.190 -1.840 1
1 641 . 13 1 1 A 65 65 LEU N N 65 129.806 129.812 -0.006 1
1 642 . 13 1 1 A 66 66 THR H H 66 9.381 8.849 0.532 1
1 643 . 13 1 1 A 66 66 THR HA H 66 4.975 4.848 0.127 1
1 648 . 13 1 1 A 66 66 THR CA C 66 61.072 61.888 -0.816 1
1 649 . 13 1 1 A 66 66 THR CB C 66 70.346 69.763 0.583 1
1 651 . 13 1 1 A 66 66 THR N N 66 123.110 123.914 -0.804 1
1 652 . 13 1 1 A 67 67 VAL H H 67 9.493 8.895 0.598 1
1 653 . 13 1 1 A 67 67 VAL HA H 67 4.317 4.727 -0.410 1
1 661 . 13 1 1 A 67 67 VAL CA C 67 61.300 59.846 1.454 1
1 662 . 13 1 1 A 67 67 VAL CB C 67 31.636 35.005 -3.369 1
1 665 . 13 1 1 A 67 67 VAL N N 67 128.451 120.490 7.961 1
1 666 . 13 1 1 A 68 68 ARG H H 68 8.500 8.814 -0.314 1
1 667 . 13 1 1 A 68 68 ARG HA H 68 3.839 4.353 -0.514 1
1 674 . 13 1 1 A 68 68 ARG CA C 68 57.379 56.498 0.881 1
1 675 . 13 1 1 A 68 68 ARG CB C 68 30.481 30.515 -0.034 1
1 678 . 13 1 1 A 68 68 ARG N N 68 124.308 124.313 -0.005 1
1 679 . 13 1 1 A 69 69 GLU H H 69 8.545 8.067 0.478 1
1 680 . 13 1 1 A 69 69 GLU HA H 69 3.147 4.051 -0.904 1
1 685 . 13 1 1 A 69 69 GLU CA C 69 55.733 58.371 -2.638 1
1 686 . 13 1 1 A 69 69 GLU CB C 69 28.793 29.605 -0.812 1
1 688 . 13 1 1 A 69 69 GLU N N 69 118.177 119.529 -1.352 1
1 689 . 13 1 1 A 70 70 VAL H H 70 7.771 7.320 0.451 1
1 690 . 13 1 1 A 70 70 VAL HA H 70 3.810 3.977 -0.167 1
1 698 . 13 1 1 A 70 70 VAL CA C 70 63.848 62.740 1.108 1
1 699 . 13 1 1 A 70 70 VAL CB C 70 31.885 32.360 -0.475 1
1 702 . 13 1 1 A 70 70 VAL N N 70 117.579 119.422 -1.843 1
1 703 . 13 1 1 A 71 71 GLY H H 71 9.389 8.300 1.089 1
1 704 . 13 1 1 A 71 71 GLY HA2 H 71 4.470 4.218 0.252 1
1 705 . 13 1 1 A 71 71 GLY HA3 H 71 3.895 4.220 -0.325 1
1 706 . 13 1 1 A 71 71 GLY CA C 71 43.915 45.430 -1.515 1
1 707 . 13 1 1 A 71 71 GLY N N 71 114.169 114.489 -0.320 1
1 708 . 13 1 1 A 72 72 PRO HA H 72 4.038 4.443 -0.405 1
1 715 . 13 1 1 A 72 72 PRO CA C 72 65.800 64.612 1.188 1
1 716 . 13 1 1 A 72 72 PRO CB C 72 31.553 31.796 -0.243 1
1 719 . 13 1 1 A 73 73 ALA H H 73 8.558 8.314 0.244 1
1 720 . 13 1 1 A 73 73 ALA HA H 73 4.186 4.312 -0.126 1
1 724 . 13 1 1 A 73 73 ALA CA C 73 53.826 53.482 0.344 1
1 725 . 13 1 1 A 73 73 ALA CB C 73 18.152 19.108 -0.956 1
1 726 . 13 1 1 A 73 73 ALA N N 73 118.164 119.672 -1.508 1
1 727 . 13 1 1 A 74 74 ASP H H 74 8.381 7.856 0.525 1
1 728 . 13 1 1 A 74 74 ASP HA H 74 4.586 4.748 -0.162 1
1 731 . 13 1 1 A 74 74 ASP CA C 74 55.178 54.147 1.031 1
1 732 . 13 1 1 A 74 74 ASP CB C 74 42.280 42.006 0.274 1
1 733 . 13 1 1 A 74 74 ASP N N 74 113.856 116.760 -2.904 1
1 734 . 13 1 1 A 75 75 GLN H H 75 7.409 7.753 -0.344 1
1 735 . 13 1 1 A 75 75 GLN HA H 75 4.252 4.393 -0.141 1
1 740 . 13 1 1 A 75 75 GLN CA C 75 56.682 55.499 1.183 1
1 741 . 13 1 1 A 75 75 GLN CB C 75 30.337 27.925 2.412 1
1 743 . 13 1 1 A 75 75 GLN N N 75 119.456 121.273 -1.817 1
1 744 . 13 1 1 A 76 76 GLY H H 76 8.984 8.222 0.762 1
1 745 . 13 1 1 A 76 76 GLY HA2 H 76 4.610 4.230 0.380 1
1 746 . 13 1 1 A 76 76 GLY HA3 H 76 3.863 4.241 -0.378 1
1 747 . 13 1 1 A 76 76 GLY CA C 76 44.149 46.039 -1.890 1
1 748 . 13 1 1 A 76 76 GLY N N 76 112.000 113.253 -1.253 1
1 749 . 13 1 1 A 77 77 SER H H 77 8.106 8.690 -0.584 1
1 750 . 13 1 1 A 77 77 SER HA H 77 5.009 5.425 -0.416 1
1 753 . 13 1 1 A 77 77 SER CA C 77 58.199 56.536 1.663 1
1 754 . 13 1 1 A 77 77 SER CB C 77 64.099 66.703 -2.604 1
1 755 . 13 1 1 A 77 77 SER N N 77 114.587 116.509 -1.922 1
1 756 . 13 1 1 A 78 78 TYR H H 78 9.056 8.704 0.352 1
1 757 . 13 1 1 A 78 78 TYR HA H 78 4.530 4.942 -0.412 1
1 764 . 13 1 1 A 78 78 TYR CA C 78 56.450 55.992 0.458 1
1 765 . 13 1 1 A 78 78 TYR CB C 78 43.805 41.143 2.662 1
1 770 . 13 1 1 A 78 78 TYR N N 78 127.751 118.824 8.927 1
1 771 . 13 1 1 A 79 79 ALA H H 79 8.558 8.723 -0.165 1
1 772 . 13 1 1 A 79 79 ALA HA H 79 5.233 5.377 -0.144 1
1 776 . 13 1 1 A 79 79 ALA CA C 79 50.806 49.853 0.953 1
1 777 . 13 1 1 A 79 79 ALA CB C 79 23.130 22.549 0.581 1
1 778 . 13 1 1 A 79 79 ALA N N 79 118.647 125.453 -6.806 1
1 779 . 13 1 1 A 80 80 VAL H H 80 8.717 8.651 0.066 1
1 780 . 13 1 1 A 80 80 VAL HA H 80 4.905 4.553 0.352 1
1 788 . 13 1 1 A 80 80 VAL CA C 80 58.760 60.223 -1.463 1
1 789 . 13 1 1 A 80 80 VAL CB C 80 35.087 34.612 0.475 1
1 792 . 13 1 1 A 80 80 VAL N N 80 118.846 118.160 0.686 1
1 793 . 13 1 1 A 81 81 ILE H H 81 8.739 8.740 -0.001 1
1 794 . 13 1 1 A 81 81 ILE HA H 81 5.012 5.193 -0.181 1
1 804 . 13 1 1 A 81 81 ILE CA C 81 59.751 59.621 0.130 1
1 805 . 13 1 1 A 81 81 ILE CB C 81 42.030 40.640 1.390 1
1 809 . 13 1 1 A 81 81 ILE N N 81 126.232 129.697 -3.465 1
1 810 . 13 1 1 A 82 82 ALA H H 82 8.388 8.672 -0.284 1
1 811 . 13 1 1 A 82 82 ALA HA H 82 4.449 4.456 -0.007 1
1 815 . 13 1 1 A 82 82 ALA CA C 82 50.839 50.722 0.117 1
1 816 . 13 1 1 A 82 82 ALA CB C 82 21.160 19.945 1.215 1
1 817 . 13 1 1 A 82 82 ALA N N 82 128.273 127.852 0.421 1
1 818 . 13 1 1 A 83 83 GLY H H 83 8.841 8.952 -0.111 1
1 819 . 13 1 1 A 83 83 GLY HA2 H 83 3.815 3.824 -0.009 1
1 820 . 13 1 1 A 83 83 GLY HA3 H 83 3.509 3.838 -0.329 1
1 821 . 13 1 1 A 83 83 GLY CA C 83 46.917 47.252 -0.335 1
1 822 . 13 1 1 A 83 83 GLY N N 83 113.065 115.447 -2.382 1
1 823 . 13 1 1 A 85 85 SER H H 85 8.423 7.873 0.550 1
1 824 . 13 1 1 A 85 85 SER HA H 85 4.659 4.401 0.258 1
1 827 . 13 1 1 A 85 85 SER CA C 85 58.485 58.839 -0.354 1
1 828 . 13 1 1 A 85 85 SER CB C 85 64.397 63.920 0.477 1
1 829 . 13 1 1 A 85 85 SER N N 85 119.428 116.631 2.797 1
1 830 . 13 1 1 A 86 86 LYS H H 86 8.490 8.616 -0.126 1
1 831 . 13 1 1 A 86 86 LYS HA H 86 5.243 5.034 0.209 1
1 840 . 13 1 1 A 86 86 LYS CA C 86 54.822 54.721 0.101 1
1 841 . 13 1 1 A 86 86 LYS CB C 86 35.340 34.729 0.611 1
1 845 . 13 1 1 A 86 86 LYS N N 86 125.678 126.137 -0.459 1
1 846 . 13 1 1 A 87 87 VAL H H 87 8.863 8.633 0.230 1
1 847 . 13 1 1 A 87 87 VAL HA H 87 4.300 4.839 -0.539 1
1 855 . 13 1 1 A 87 87 VAL CA C 87 60.870 59.160 1.710 1
1 856 . 13 1 1 A 87 87 VAL CB C 87 34.228 35.358 -1.130 1
1 859 . 13 1 1 A 87 87 VAL N N 87 126.631 122.181 4.450 1
1 860 . 13 1 1 A 88 88 LYS H H 88 8.475 8.704 -0.229 1
1 861 . 13 1 1 A 88 88 LYS HA H 88 5.065 4.988 0.077 1
1 870 . 13 1 1 A 88 88 LYS CA C 88 55.124 54.723 0.401 1
1 871 . 13 1 1 A 88 88 LYS CB C 88 34.479 36.253 -1.774 1
1 874 . 13 1 1 A 88 88 LYS N N 88 125.592 126.691 -1.099 1
1 875 . 13 1 1 A 89 89 PHE H H 89 8.152 8.296 -0.144 1
1 876 . 13 1 1 A 89 89 PHE HA H 89 4.601 5.692 -1.091 1
1 884 . 13 1 1 A 89 89 PHE CA C 89 56.311 54.911 1.400 1
1 885 . 13 1 1 A 89 89 PHE CB C 89 39.383 42.356 -2.973 1
1 888 . 13 1 1 A 89 89 PHE N N 89 119.005 119.325 -0.320 1
1 889 . 13 1 1 A 90 90 ASP H H 90 9.006 8.986 0.020 1
1 890 . 13 1 1 A 90 90 ASP HA H 90 5.565 5.297 0.268 1
1 893 . 13 1 1 A 90 90 ASP CA C 90 53.532 53.310 0.222 1
1 894 . 13 1 1 A 90 90 ASP CB C 90 45.151 43.118 2.033 1
1 895 . 13 1 1 A 90 90 ASP N N 90 118.742 121.446 -2.704 1
1 896 . 13 1 1 A 91 91 LEU H H 91 8.733 9.011 -0.278 1
1 897 . 13 1 1 A 91 91 LEU HA H 91 5.137 5.110 0.027 1
1 907 . 13 1 1 A 91 91 LEU CA C 91 54.171 53.874 0.297 1
1 908 . 13 1 1 A 91 91 LEU CB C 91 45.625 44.765 0.860 1
1 911 . 13 1 1 A 91 91 LEU N N 91 121.344 125.338 -3.994 1
1 912 . 13 1 1 A 92 92 LYS H H 92 8.892 8.766 0.126 1
1 913 . 13 1 1 A 92 92 LYS HA H 92 4.733 4.695 0.038 1
1 922 . 13 1 1 A 92 92 LYS CA C 92 54.910 56.197 -1.287 1
1 923 . 13 1 1 A 92 92 LYS CB C 92 35.261 33.775 1.486 1
1 927 . 13 1 1 A 92 92 LYS N N 92 128.486 126.981 1.505 1
1 928 . 13 1 1 A 93 93 VAL H H 93 8.563 8.571 -0.008 1
1 929 . 13 1 1 A 93 93 VAL HA H 93 4.818 5.247 -0.429 1
1 937 . 13 1 1 A 93 93 VAL CA C 93 60.568 61.030 -0.462 1
1 938 . 13 1 1 A 93 93 VAL CB C 93 33.024 34.592 -1.568 1
1 941 . 13 1 1 A 93 93 VAL N N 93 124.459 121.400 3.059 1
1 942 . 13 1 1 A 94 94 ILE H H 94 8.395 8.865 -0.470 1
1 943 . 13 1 1 A 94 94 ILE HA H 94 4.162 4.740 -0.578 1
1 953 . 13 1 1 A 94 94 ILE CA C 94 60.238 59.623 0.615 1
1 954 . 13 1 1 A 94 94 ILE CB C 94 39.279 40.508 -1.229 1
1 958 . 13 1 1 A 94 94 ILE N N 94 126.433 126.400 0.033 1
1 1 . 14 1 1 A 3 3 PRO HA H 3 4.235 4.667 -0.432 1
1 8 . 14 1 1 A 3 3 PRO CA C 3 63.375 62.477 0.898 1
1 9 . 14 1 1 A 3 3 PRO CB C 3 31.835 30.244 1.591 1
1 11 . 14 1 1 A 4 4 GLY H H 4 8.439 8.478 -0.039 1
1 12 . 14 1 1 A 4 4 GLY HA2 H 4 3.854 3.834 0.020 1
1 13 . 14 1 1 A 4 4 GLY HA3 H 4 3.819 3.834 -0.015 1
1 14 . 14 1 1 A 4 4 GLY CA C 4 45.043 46.788 -1.745 1
1 15 . 14 1 1 A 4 4 GLY N N 4 108.904 109.567 -0.663 1
1 16 . 14 1 1 A 5 5 LYS H H 5 7.974 7.606 0.368 1
1 17 . 14 1 1 A 5 5 LYS HA H 5 4.265 4.244 0.021 1
1 26 . 14 1 1 A 5 5 LYS CA C 5 55.709 56.590 -0.881 1
1 27 . 14 1 1 A 5 5 LYS CB C 5 33.081 32.658 0.423 1
1 31 . 14 1 1 A 5 5 LYS N N 5 120.616 119.011 1.605 1
1 32 . 14 1 1 A 6 6 LYS H H 6 8.291 8.360 -0.069 1
1 33 . 14 1 1 A 6 6 LYS HA H 6 4.505 4.332 0.173 1
1 36 . 14 1 1 A 6 6 LYS CA C 6 54.105 55.234 -1.129 1
1 37 . 14 1 1 A 6 6 LYS CB C 6 32.381 32.344 0.037 1
1 38 . 14 1 1 A 6 6 LYS N N 6 124.267 124.309 -0.042 1
1 39 . 14 1 1 A 7 7 PRO HA H 7 4.371 4.460 -0.089 1
1 46 . 14 1 1 A 7 7 PRO CA C 7 62.738 62.850 -0.112 1
1 47 . 14 1 1 A 7 7 PRO CB C 7 31.942 31.970 -0.028 1
1 50 . 14 1 1 A 8 8 VAL H H 8 8.244 8.297 -0.053 1
1 51 . 14 1 1 A 8 8 VAL HA H 8 4.012 4.013 -0.001 1
1 59 . 14 1 1 A 8 8 VAL CA C 8 61.883 62.275 -0.392 1
1 60 . 14 1 1 A 8 8 VAL CB C 8 32.743 30.957 1.786 1
1 63 . 14 1 1 A 8 8 VAL N N 8 120.593 123.424 -2.831 1
1 64 . 14 1 1 A 9 9 SER H H 9 8.296 8.855 -0.559 1
1 65 . 14 1 1 A 9 9 SER HA H 9 4.315 4.764 -0.449 1
1 68 . 14 1 1 A 9 9 SER CA C 9 57.429 58.325 -0.896 1
1 69 . 14 1 1 A 9 9 SER CB C 9 63.804 64.350 -0.546 1
1 70 . 14 1 1 A 9 9 SER N N 9 118.557 122.722 -4.165 1
1 71 . 14 1 1 A 10 10 ALA H H 10 8.214 8.597 -0.383 1
1 72 . 14 1 1 A 10 10 ALA HA H 10 4.069 4.629 -0.560 1
1 76 . 14 1 1 A 10 10 ALA CA C 10 53.042 51.272 1.770 1
1 77 . 14 1 1 A 10 10 ALA CB C 10 19.919 19.711 0.208 1
1 78 . 14 1 1 A 10 10 ALA N N 10 125.277 125.848 -0.571 1
1 79 . 14 1 1 A 11 11 PHE H H 11 8.238 7.794 0.444 1
1 80 . 14 1 1 A 11 11 PHE HA H 11 4.816 5.023 -0.207 1
1 88 . 14 1 1 A 11 11 PHE CA C 11 57.727 56.131 1.596 1
1 89 . 14 1 1 A 11 11 PHE CB C 11 39.854 38.648 1.206 1
1 94 . 14 1 1 A 11 11 PHE N N 11 114.771 117.866 -3.095 1
1 95 . 14 1 1 A 12 12 SER H H 12 8.809 8.830 -0.021 1
1 96 . 14 1 1 A 12 12 SER HA H 12 4.395 4.250 0.145 1
1 99 . 14 1 1 A 12 12 SER CA C 12 58.641 61.355 -2.714 1
1 100 . 14 1 1 A 12 12 SER CB C 12 63.274 63.230 0.044 1
1 101 . 14 1 1 A 12 12 SER N N 12 119.399 120.632 -1.233 1
1 102 . 14 1 1 A 13 13 LYS H H 13 7.884 7.855 0.029 1
1 103 . 14 1 1 A 13 13 LYS HA H 13 4.575 4.874 -0.299 1
1 112 . 14 1 1 A 13 13 LYS CA C 13 56.362 55.237 1.125 1
1 113 . 14 1 1 A 13 13 LYS CB C 13 35.664 35.277 0.387 1
1 114 . 14 1 1 A 13 13 LYS N N 13 121.565 119.742 1.823 1
1 115 . 14 1 1 A 14 14 LYS H H 14 8.744 8.579 0.165 1
1 116 . 14 1 1 A 14 14 LYS HA H 14 4.313 4.529 -0.216 1
1 123 . 14 1 1 A 14 14 LYS CA C 14 53.374 54.349 -0.975 1
1 124 . 14 1 1 A 14 14 LYS CB C 14 32.741 33.001 -0.260 1
1 127 . 14 1 1 A 14 14 LYS N N 14 125.096 128.118 -3.022 1
1 128 . 14 1 1 A 15 15 PRO HA H 15 4.693 4.783 -0.090 1
1 135 . 14 1 1 A 15 15 PRO CA C 15 62.248 62.256 -0.008 1
1 136 . 14 1 1 A 15 15 PRO CB C 15 31.343 30.002 1.341 1
1 139 . 14 1 1 A 16 16 ARG H H 16 8.118 7.888 0.230 1
1 140 . 14 1 1 A 16 16 ARG HA H 16 4.592 4.364 0.228 1
1 147 . 14 1 1 A 16 16 ARG CA C 16 53.951 56.173 -2.222 1
1 148 . 14 1 1 A 16 16 ARG CB C 16 32.456 30.674 1.782 1
1 151 . 14 1 1 A 16 16 ARG N N 16 119.622 122.836 -3.214 1
1 152 . 14 1 1 A 17 17 SER H H 17 8.511 8.605 -0.094 1
1 153 . 14 1 1 A 17 17 SER HA H 17 5.281 4.686 0.595 1
1 156 . 14 1 1 A 17 17 SER CA C 17 59.888 58.563 1.325 1
1 157 . 14 1 1 A 17 17 SER CB C 17 63.405 64.391 -0.986 1
1 158 . 14 1 1 A 17 17 SER N N 17 117.935 116.977 0.958 1
1 159 . 14 1 1 A 18 18 VAL H H 18 8.389 8.807 -0.418 1
1 160 . 14 1 1 A 18 18 VAL HA H 18 4.660 4.819 -0.159 1
1 168 . 14 1 1 A 18 18 VAL CA C 18 60.004 59.759 0.245 1
1 169 . 14 1 1 A 18 18 VAL CB C 18 36.675 35.850 0.825 1
1 172 . 14 1 1 A 18 18 VAL N N 18 117.416 120.937 -3.521 1
1 173 . 14 1 1 A 19 19 GLU H H 19 8.190 8.764 -0.574 1
1 174 . 14 1 1 A 19 19 GLU HA H 19 5.351 5.490 -0.139 1
1 179 . 14 1 1 A 19 19 GLU CA C 19 54.138 55.032 -0.894 1
1 180 . 14 1 1 A 19 19 GLU CB C 19 31.658 32.386 -0.728 1
1 181 . 14 1 1 A 19 19 GLU N N 19 124.652 125.885 -1.233 1
1 182 . 14 1 1 A 20 20 VAL H H 20 8.616 8.684 -0.068 1
1 183 . 14 1 1 A 20 20 VAL HA H 20 4.491 4.717 -0.226 1
1 191 . 14 1 1 A 20 20 VAL CA C 20 59.013 59.429 -0.416 1
1 192 . 14 1 1 A 20 20 VAL CB C 20 36.048 35.510 0.538 1
1 195 . 14 1 1 A 20 20 VAL N N 20 120.245 118.115 2.130 1
1 196 . 14 1 1 A 21 21 ALA H H 21 8.375 8.626 -0.251 1
1 197 . 14 1 1 A 21 21 ALA HA H 21 4.364 4.550 -0.186 1
1 201 . 14 1 1 A 21 21 ALA CA C 21 51.307 52.041 -0.734 1
1 202 . 14 1 1 A 21 21 ALA CB C 21 18.726 18.854 -0.128 1
1 203 . 14 1 1 A 21 21 ALA N N 21 126.173 126.123 0.050 1
1 204 . 14 1 1 A 22 22 ALA H H 22 8.287 7.910 0.377 1
1 205 . 14 1 1 A 22 22 ALA HA H 22 3.899 3.994 -0.095 1
1 209 . 14 1 1 A 22 22 ALA CA C 22 53.104 53.980 -0.876 1
1 210 . 14 1 1 A 22 22 ALA CB C 22 17.631 18.468 -0.837 1
1 211 . 14 1 1 A 22 22 ALA N N 22 123.045 123.326 -0.281 1
1 212 . 14 1 1 A 23 23 GLY H H 23 9.862 8.869 0.993 1
1 213 . 14 1 1 A 23 23 GLY HA2 H 23 3.255 3.988 -0.733 1
1 214 . 14 1 1 A 23 23 GLY HA3 H 23 4.371 3.990 0.381 1
1 215 . 14 1 1 A 23 23 GLY CA C 23 44.741 45.016 -0.275 1
1 216 . 14 1 1 A 23 23 GLY N N 23 112.047 111.320 0.727 1
1 217 . 14 1 1 A 24 24 SER H H 24 7.944 7.839 0.105 1
1 218 . 14 1 1 A 24 24 SER HA H 24 4.750 4.553 0.197 1
1 221 . 14 1 1 A 24 24 SER CA C 24 57.787 56.221 1.566 1
1 222 . 14 1 1 A 24 24 SER CB C 24 63.296 63.864 -0.568 1
1 223 . 14 1 1 A 24 24 SER N N 24 119.405 117.983 1.422 1
1 224 . 14 1 1 A 25 25 PRO HA H 25 5.142 4.632 0.510 1
1 231 . 14 1 1 A 25 25 PRO CA C 25 61.743 62.713 -0.970 1
1 232 . 14 1 1 A 25 25 PRO CB C 25 31.751 32.105 -0.354 1
1 235 . 14 1 1 A 26 26 ALA H H 26 8.688 8.359 0.329 1
1 236 . 14 1 1 A 26 26 ALA HA H 26 4.396 4.820 -0.424 1
1 240 . 14 1 1 A 26 26 ALA CA C 26 49.972 50.639 -0.667 1
1 241 . 14 1 1 A 26 26 ALA CB C 26 22.877 21.951 0.926 1
1 242 . 14 1 1 A 26 26 ALA N N 26 123.024 124.146 -1.122 1
1 243 . 14 1 1 A 27 27 VAL H H 27 7.751 8.616 -0.865 1
1 244 . 14 1 1 A 27 27 VAL HA H 27 4.522 5.128 -0.606 1
1 252 . 14 1 1 A 27 27 VAL CA C 27 60.899 58.892 2.007 1
1 253 . 14 1 1 A 27 27 VAL CB C 27 33.331 34.993 -1.662 1
1 255 . 14 1 1 A 27 27 VAL N N 27 121.938 122.558 -0.620 1
1 256 . 14 1 1 A 28 28 PHE H H 28 9.196 9.133 0.063 1
1 257 . 14 1 1 A 28 28 PHE HA H 28 4.561 5.052 -0.491 1
1 265 . 14 1 1 A 28 28 PHE CA C 28 56.051 56.272 -0.221 1
1 266 . 14 1 1 A 28 28 PHE CB C 28 42.218 42.153 0.065 1
1 271 . 14 1 1 A 28 28 PHE N N 28 126.818 125.892 0.926 1
1 272 . 14 1 1 A 29 29 GLU H H 29 8.583 9.109 -0.526 1
1 273 . 14 1 1 A 29 29 GLU HA H 29 5.405 4.981 0.424 1
1 278 . 14 1 1 A 29 29 GLU CA C 29 54.508 55.469 -0.961 1
1 279 . 14 1 1 A 29 29 GLU CB C 29 33.692 31.164 2.528 1
1 280 . 14 1 1 A 29 29 GLU N N 29 120.733 123.976 -3.243 1
1 281 . 14 1 1 A 30 30 ALA H H 30 9.484 9.590 -0.106 1
1 282 . 14 1 1 A 30 30 ALA HA H 30 4.691 5.380 -0.689 1
1 286 . 14 1 1 A 30 30 ALA CA C 30 49.421 50.740 -1.319 1
1 287 . 14 1 1 A 30 30 ALA CB C 30 23.523 21.696 1.827 1
1 288 . 14 1 1 A 30 30 ALA N N 30 124.341 128.248 -3.907 1
1 289 . 14 1 1 A 31 31 GLU H H 31 9.001 9.470 -0.469 1
1 290 . 14 1 1 A 31 31 GLU HA H 31 6.016 5.221 0.795 1
1 295 . 14 1 1 A 31 31 GLU CA C 31 54.301 55.279 -0.978 1
1 296 . 14 1 1 A 31 31 GLU CB C 31 33.336 32.217 1.119 1
1 298 . 14 1 1 A 31 31 GLU N N 31 120.169 124.118 -3.949 1
1 299 . 14 1 1 A 32 32 THR H H 32 9.330 8.875 0.455 1
1 300 . 14 1 1 A 32 32 THR HA H 32 4.842 4.448 0.394 1
1 305 . 14 1 1 A 32 32 THR CA C 32 59.738 59.722 0.016 1
1 306 . 14 1 1 A 32 32 THR CB C 32 69.791 71.231 -1.440 1
1 308 . 14 1 1 A 32 32 THR N N 32 115.538 116.673 -1.135 1
1 309 . 14 1 1 A 33 33 GLU H H 33 7.950 8.786 -0.836 1
1 310 . 14 1 1 A 33 33 GLU HA H 33 3.944 4.450 -0.506 1
1 315 . 14 1 1 A 33 33 GLU CA C 33 58.563 57.470 1.093 1
1 316 . 14 1 1 A 33 33 GLU CB C 33 29.836 29.782 0.054 1
1 318 . 14 1 1 A 33 33 GLU N N 33 119.723 121.825 -2.102 1
1 319 . 14 1 1 A 34 34 ARG H H 34 7.791 7.583 0.208 1
1 320 . 14 1 1 A 34 34 ARG HA H 34 4.490 4.800 -0.310 1
1 327 . 14 1 1 A 34 34 ARG CA C 34 53.485 54.217 -0.732 1
1 328 . 14 1 1 A 34 34 ARG CB C 34 32.411 33.577 -1.166 1
1 331 . 14 1 1 A 34 34 ARG N N 34 113.251 119.249 -5.998 1
1 332 . 14 1 1 A 35 35 ALA H H 35 8.614 8.582 0.032 1
1 333 . 14 1 1 A 35 35 ALA HA H 35 4.050 4.241 -0.191 1
1 337 . 14 1 1 A 35 35 ALA CA C 35 51.762 53.044 -1.282 1
1 338 . 14 1 1 A 35 35 ALA N N 35 125.041 127.301 -2.260 1
1 339 . 14 1 1 A 36 36 GLY H H 36 8.647 8.773 -0.126 1
1 340 . 14 1 1 A 36 36 GLY HA2 H 36 3.634 3.846 -0.212 1
1 341 . 14 1 1 A 36 36 GLY HA3 H 36 3.960 3.862 0.098 1
1 342 . 14 1 1 A 36 36 GLY CA C 36 45.703 46.068 -0.365 1
1 343 . 14 1 1 A 36 36 GLY N N 36 108.031 110.625 -2.594 1
1 344 . 14 1 1 A 37 37 VAL H H 37 7.077 7.912 -0.835 1
1 345 . 14 1 1 A 37 37 VAL HA H 37 3.869 4.288 -0.419 1
1 353 . 14 1 1 A 37 37 VAL CA C 37 61.469 61.879 -0.410 1
1 354 . 14 1 1 A 37 37 VAL CB C 37 32.942 32.530 0.412 1
1 357 . 14 1 1 A 37 37 VAL N N 37 119.457 121.295 -1.838 1
1 358 . 14 1 1 A 38 38 LYS H H 38 8.467 8.350 0.117 1
1 359 . 14 1 1 A 38 38 LYS HA H 38 4.267 4.806 -0.539 1
1 366 . 14 1 1 A 38 38 LYS CA C 38 55.873 55.958 -0.085 1
1 367 . 14 1 1 A 38 38 LYS CB C 38 30.881 33.431 -2.550 1
1 370 . 14 1 1 A 38 38 LYS N N 38 128.214 127.214 1.000 1
1 371 . 14 1 1 A 39 39 VAL H H 39 7.993 8.882 -0.889 1
1 372 . 14 1 1 A 39 39 VAL HA H 39 4.537 4.423 0.114 1
1 380 . 14 1 1 A 39 39 VAL CA C 39 60.114 61.261 -1.147 1
1 381 . 14 1 1 A 39 39 VAL CB C 39 33.719 31.985 1.734 1
1 384 . 14 1 1 A 39 39 VAL N N 39 123.133 125.109 -1.976 1
1 385 . 14 1 1 A 40 40 ARG H H 40 8.507 8.473 0.034 1
1 386 . 14 1 1 A 40 40 ARG HA H 40 4.503 4.715 -0.212 1
1 393 . 14 1 1 A 40 40 ARG CA C 40 54.098 55.845 -1.747 1
1 394 . 14 1 1 A 40 40 ARG CB C 40 33.701 30.828 2.873 1
1 397 . 14 1 1 A 40 40 ARG N N 40 124.492 126.240 -1.748 1
1 398 . 14 1 1 A 41 41 TRP H H 41 9.083 8.962 0.121 1
1 399 . 14 1 1 A 41 41 TRP HA H 41 5.311 5.405 -0.094 1
1 408 . 14 1 1 A 41 41 TRP CA C 41 55.134 55.727 -0.593 1
1 409 . 14 1 1 A 41 41 TRP CB C 41 31.370 33.312 -1.942 1
1 413 . 14 1 1 A 41 41 TRP N N 41 123.367 121.504 1.863 1
1 415 . 14 1 1 A 42 42 GLN H H 42 9.532 8.937 0.595 1
1 416 . 14 1 1 A 42 42 GLN HA H 42 5.159 4.700 0.459 1
1 423 . 14 1 1 A 42 42 GLN CA C 42 54.445 54.971 -0.526 1
1 424 . 14 1 1 A 42 42 GLN CB C 42 34.775 33.093 1.682 1
1 426 . 14 1 1 A 42 42 GLN N N 42 118.692 121.478 -2.786 1
1 427 . 14 1 1 A 43 43 ARG H H 43 8.209 8.800 -0.591 1
1 428 . 14 1 1 A 43 43 ARG HA H 43 4.039 4.563 -0.524 1
1 435 . 14 1 1 A 43 43 ARG CA C 43 54.790 53.651 1.139 1
1 436 . 14 1 1 A 43 43 ARG CB C 43 32.202 33.821 -1.619 1
1 439 . 14 1 1 A 43 43 ARG N N 43 119.579 125.656 -6.077 1
1 440 . 14 1 1 A 46 46 SER H H 46 7.513 7.857 -0.344 1
1 441 . 14 1 1 A 46 46 SER HA H 46 4.674 4.753 -0.079 1
1 444 . 14 1 1 A 46 46 SER CA C 46 56.766 56.913 -0.147 1
1 445 . 14 1 1 A 46 46 SER CB C 46 64.815 65.877 -1.062 1
1 446 . 14 1 1 A 46 46 SER N N 46 114.927 116.432 -1.505 1
1 447 . 14 1 1 A 47 47 ASP H H 47 8.698 8.359 0.339 1
1 448 . 14 1 1 A 47 47 ASP HA H 47 4.830 4.718 0.112 1
1 451 . 14 1 1 A 47 47 ASP CA C 47 55.177 53.400 1.777 1
1 452 . 14 1 1 A 47 47 ASP CB C 47 40.385 41.637 -1.252 1
1 453 . 14 1 1 A 47 47 ASP N N 47 125.553 121.796 3.757 1
1 454 . 14 1 1 A 48 48 ILE H H 48 8.781 8.510 0.271 1
1 455 . 14 1 1 A 48 48 ILE HA H 48 3.879 4.720 -0.841 1
1 465 . 14 1 1 A 48 48 ILE CA C 48 61.218 59.771 1.447 1
1 466 . 14 1 1 A 48 48 ILE CB C 48 39.345 40.492 -1.147 1
1 470 . 14 1 1 A 48 48 ILE N N 48 124.032 121.484 2.548 1
1 471 . 14 1 1 A 49 49 SER H H 49 7.963 8.531 -0.568 1
1 472 . 14 1 1 A 49 49 SER HA H 49 4.681 4.822 -0.141 1
1 475 . 14 1 1 A 49 49 SER CA C 49 56.256 57.089 -0.833 1
1 476 . 14 1 1 A 49 49 SER CB C 49 65.243 66.008 -0.765 1
1 477 . 14 1 1 A 49 49 SER N N 49 121.077 118.656 2.421 1
1 478 . 14 1 1 A 50 50 ALA H H 50 8.516 8.400 0.116 1
1 479 . 14 1 1 A 50 50 ALA HA H 50 4.302 4.525 -0.223 1
1 483 . 14 1 1 A 50 50 ALA CA C 50 53.052 52.173 0.879 1
1 484 . 14 1 1 A 50 50 ALA CB C 50 18.821 18.091 0.730 1
1 485 . 14 1 1 A 50 50 ALA N N 50 123.977 126.572 -2.595 1
1 486 . 14 1 1 A 51 51 SER H H 51 9.564 8.259 1.305 1
1 487 . 14 1 1 A 51 51 SER HA H 51 4.797 4.859 -0.062 1
1 490 . 14 1 1 A 51 51 SER CA C 51 56.946 57.375 -0.429 1
1 491 . 14 1 1 A 51 51 SER CB C 51 65.759 65.856 -0.097 1
1 492 . 14 1 1 A 51 51 SER N N 51 117.545 117.378 0.167 1
1 494 . 14 1 1 A 52 52 ASN CA C 52 55.930 54.500 1.430 1
1 495 . 14 1 1 A 52 52 ASN CB C 52 37.045 38.357 -1.312 1
1 496 . 14 1 1 A 53 53 LYS H H 53 8.053 8.835 -0.782 1
1 497 . 14 1 1 A 53 53 LYS HA H 53 3.995 4.011 -0.016 1
1 506 . 14 1 1 A 53 53 LYS CA C 53 53.699 57.764 -4.065 1
1 507 . 14 1 1 A 53 53 LYS CB C 53 33.687 32.021 1.666 1
1 511 . 14 1 1 A 53 53 LYS N N 53 121.638 124.731 -3.093 1
1 512 . 14 1 1 A 54 54 TYR H H 54 6.779 7.851 -1.072 1
1 513 . 14 1 1 A 54 54 TYR HA H 54 5.484 5.260 0.224 1
1 520 . 14 1 1 A 54 54 TYR CA C 54 55.016 56.592 -1.576 1
1 521 . 14 1 1 A 54 54 TYR CB C 54 40.147 43.322 -3.175 1
1 526 . 14 1 1 A 54 54 TYR N N 54 114.754 118.914 -4.160 1
1 527 . 14 1 1 A 55 55 GLY H H 55 9.666 8.205 1.461 1
1 528 . 14 1 1 A 55 55 GLY HA2 H 55 4.653 4.226 0.427 1
1 529 . 14 1 1 A 55 55 GLY HA3 H 55 3.343 4.240 -0.897 1
1 530 . 14 1 1 A 55 55 GLY CA C 55 44.332 45.546 -1.214 1
1 531 . 14 1 1 A 55 55 GLY N N 55 110.691 108.362 2.329 1
1 532 . 14 1 1 A 56 56 LEU H H 56 8.542 9.007 -0.465 1
1 533 . 14 1 1 A 56 56 LEU HA H 56 5.138 4.961 0.177 1
1 543 . 14 1 1 A 56 56 LEU CA C 56 54.213 53.538 0.675 1
1 544 . 14 1 1 A 56 56 LEU CB C 56 45.206 43.794 1.412 1
1 548 . 14 1 1 A 56 56 LEU N N 56 125.972 126.788 -0.816 1
1 549 . 14 1 1 A 57 57 ALA H H 57 8.594 8.849 -0.255 1
1 550 . 14 1 1 A 57 57 ALA HA H 57 4.790 4.948 -0.158 1
1 554 . 14 1 1 A 57 57 ALA CA C 57 51.318 50.935 0.383 1
1 555 . 14 1 1 A 57 57 ALA CB C 57 22.564 20.634 1.930 1
1 556 . 14 1 1 A 57 57 ALA N N 57 124.534 125.550 -1.016 1
1 557 . 14 1 1 A 58 58 THR H H 58 8.602 8.957 -0.355 1
1 558 . 14 1 1 A 58 58 THR HA H 58 4.862 4.506 0.356 1
1 563 . 14 1 1 A 58 58 THR CA C 58 62.034 61.131 0.903 1
1 564 . 14 1 1 A 58 58 THR CB C 58 72.197 70.329 1.868 1
1 566 . 14 1 1 A 58 58 THR N N 58 119.396 119.367 0.029 1
1 567 . 14 1 1 A 59 59 GLU H H 59 8.883 8.601 0.282 1
1 568 . 14 1 1 A 59 59 GLU HA H 59 4.378 4.537 -0.159 1
1 573 . 14 1 1 A 59 59 GLU CA C 59 54.955 55.100 -0.145 1
1 574 . 14 1 1 A 59 59 GLU CB C 59 31.121 31.100 0.021 1
1 576 . 14 1 1 A 59 59 GLU N N 59 128.594 127.553 1.041 1
1 577 . 14 1 1 A 60 60 GLY H H 60 9.045 8.869 0.176 1
1 578 . 14 1 1 A 60 60 GLY HA2 H 60 4.081 3.861 0.220 1
1 579 . 14 1 1 A 60 60 GLY HA3 H 60 3.529 3.863 -0.334 1
1 580 . 14 1 1 A 60 60 GLY CA C 60 47.127 47.218 -0.091 1
1 581 . 14 1 1 A 60 60 GLY N N 60 117.047 115.824 1.223 1
1 582 . 14 1 1 A 61 61 THR H H 61 8.332 8.647 -0.315 1
1 583 . 14 1 1 A 61 61 THR HA H 61 4.129 4.472 -0.343 1
1 588 . 14 1 1 A 61 61 THR CA C 61 61.659 62.309 -0.650 1
1 589 . 14 1 1 A 61 61 THR CB C 61 68.477 69.516 -1.039 1
1 591 . 14 1 1 A 61 61 THR N N 61 118.086 119.528 -1.442 1
1 592 . 14 1 1 A 62 62 ARG H H 62 7.906 7.417 0.489 1
1 593 . 14 1 1 A 62 62 ARG HA H 62 4.754 4.982 -0.228 1
1 600 . 14 1 1 A 62 62 ARG CA C 62 56.040 54.672 1.368 1
1 601 . 14 1 1 A 62 62 ARG CB C 62 31.775 32.109 -0.334 1
1 604 . 14 1 1 A 62 62 ARG N N 62 121.911 121.374 0.537 1
1 605 . 14 1 1 A 63 63 HIS H H 63 9.212 9.615 -0.403 1
1 606 . 14 1 1 A 63 63 HIS HA H 63 5.364 5.264 0.100 1
1 611 . 14 1 1 A 63 63 HIS CA C 63 55.066 55.087 -0.021 1
1 612 . 14 1 1 A 63 63 HIS CB C 63 33.860 32.764 1.096 1
1 614 . 14 1 1 A 63 63 HIS N N 63 127.111 122.659 4.452 1
1 615 . 14 1 1 A 64 64 THR H H 64 9.261 8.385 0.876 1
1 616 . 14 1 1 A 64 64 THR HA H 64 5.510 5.247 0.263 1
1 621 . 14 1 1 A 64 64 THR CA C 64 60.691 61.639 -0.948 1
1 622 . 14 1 1 A 64 64 THR CB C 64 71.788 71.575 0.213 1
1 624 . 14 1 1 A 64 64 THR N N 64 117.400 115.549 1.851 1
1 625 . 14 1 1 A 65 65 LEU H H 65 8.456 8.894 -0.438 1
1 626 . 14 1 1 A 65 65 LEU HA H 65 4.642 4.732 -0.090 1
1 636 . 14 1 1 A 65 65 LEU CA C 65 52.783 52.928 -0.145 1
1 637 . 14 1 1 A 65 65 LEU CB C 65 41.350 43.401 -2.051 1
1 641 . 14 1 1 A 65 65 LEU N N 65 129.806 130.016 -0.210 1
1 642 . 14 1 1 A 66 66 THR H H 66 9.381 9.223 0.158 1
1 643 . 14 1 1 A 66 66 THR HA H 66 4.975 4.831 0.144 1
1 648 . 14 1 1 A 66 66 THR CA C 66 61.072 61.962 -0.890 1
1 649 . 14 1 1 A 66 66 THR CB C 66 70.346 70.464 -0.118 1
1 651 . 14 1 1 A 66 66 THR N N 66 123.110 124.246 -1.136 1
1 652 . 14 1 1 A 67 67 VAL H H 67 9.493 9.250 0.243 1
1 653 . 14 1 1 A 67 67 VAL HA H 67 4.317 4.544 -0.227 1
1 661 . 14 1 1 A 67 67 VAL CA C 67 61.300 61.586 -0.286 1
1 662 . 14 1 1 A 67 67 VAL CB C 67 31.636 34.539 -2.903 1
1 665 . 14 1 1 A 67 67 VAL N N 67 128.451 126.289 2.162 1
1 666 . 14 1 1 A 68 68 ARG H H 68 8.500 8.656 -0.156 1
1 667 . 14 1 1 A 68 68 ARG HA H 68 3.839 4.339 -0.500 1
1 674 . 14 1 1 A 68 68 ARG CA C 68 57.379 56.782 0.597 1
1 675 . 14 1 1 A 68 68 ARG CB C 68 30.481 30.585 -0.104 1
1 678 . 14 1 1 A 68 68 ARG N N 68 124.308 126.753 -2.445 1
1 679 . 14 1 1 A 69 69 GLU H H 69 8.545 7.916 0.629 1
1 680 . 14 1 1 A 69 69 GLU HA H 69 3.147 4.180 -1.033 1
1 685 . 14 1 1 A 69 69 GLU CA C 69 55.733 57.919 -2.186 1
1 686 . 14 1 1 A 69 69 GLU CB C 69 28.793 29.571 -0.778 1
1 688 . 14 1 1 A 69 69 GLU N N 69 118.177 119.079 -0.902 1
1 689 . 14 1 1 A 70 70 VAL H H 70 7.771 7.289 0.482 1
1 690 . 14 1 1 A 70 70 VAL HA H 70 3.810 4.054 -0.244 1
1 698 . 14 1 1 A 70 70 VAL CA C 70 63.848 62.632 1.216 1
1 699 . 14 1 1 A 70 70 VAL CB C 70 31.885 32.205 -0.320 1
1 702 . 14 1 1 A 70 70 VAL N N 70 117.579 119.411 -1.832 1
1 703 . 14 1 1 A 71 71 GLY H H 71 9.389 8.370 1.019 1
1 704 . 14 1 1 A 71 71 GLY HA2 H 71 4.470 4.249 0.221 1
1 705 . 14 1 1 A 71 71 GLY HA3 H 71 3.895 4.254 -0.359 1
1 706 . 14 1 1 A 71 71 GLY CA C 71 43.915 45.492 -1.577 1
1 707 . 14 1 1 A 71 71 GLY N N 71 114.169 114.252 -0.083 1
1 708 . 14 1 1 A 72 72 PRO HA H 72 4.038 4.431 -0.393 1
1 715 . 14 1 1 A 72 72 PRO CA C 72 65.800 64.667 1.133 1
1 716 . 14 1 1 A 72 72 PRO CB C 72 31.553 31.813 -0.260 1
1 719 . 14 1 1 A 73 73 ALA H H 73 8.558 8.250 0.308 1
1 720 . 14 1 1 A 73 73 ALA HA H 73 4.186 4.308 -0.122 1
1 724 . 14 1 1 A 73 73 ALA CA C 73 53.826 53.471 0.355 1
1 725 . 14 1 1 A 73 73 ALA CB C 73 18.152 19.177 -1.025 1
1 726 . 14 1 1 A 73 73 ALA N N 73 118.164 119.818 -1.654 1
1 727 . 14 1 1 A 74 74 ASP H H 74 8.381 7.892 0.489 1
1 728 . 14 1 1 A 74 74 ASP HA H 74 4.586 4.732 -0.146 1
1 731 . 14 1 1 A 74 74 ASP CA C 74 55.178 54.129 1.049 1
1 732 . 14 1 1 A 74 74 ASP CB C 74 42.280 42.037 0.243 1
1 733 . 14 1 1 A 74 74 ASP N N 74 113.856 116.741 -2.885 1
1 734 . 14 1 1 A 75 75 GLN H H 75 7.409 7.810 -0.401 1
1 735 . 14 1 1 A 75 75 GLN HA H 75 4.252 4.430 -0.178 1
1 740 . 14 1 1 A 75 75 GLN CA C 75 56.682 55.236 1.446 1
1 741 . 14 1 1 A 75 75 GLN CB C 75 30.337 27.747 2.590 1
1 743 . 14 1 1 A 75 75 GLN N N 75 119.456 121.188 -1.732 1
1 744 . 14 1 1 A 76 76 GLY H H 76 8.984 8.476 0.508 1
1 745 . 14 1 1 A 76 76 GLY HA2 H 76 4.610 4.086 0.524 1
1 746 . 14 1 1 A 76 76 GLY HA3 H 76 3.863 4.106 -0.243 1
1 747 . 14 1 1 A 76 76 GLY CA C 76 44.149 45.602 -1.453 1
1 748 . 14 1 1 A 76 76 GLY N N 76 112.000 113.599 -1.599 1
1 749 . 14 1 1 A 77 77 SER H H 77 8.106 8.602 -0.496 1
1 750 . 14 1 1 A 77 77 SER HA H 77 5.009 5.418 -0.409 1
1 753 . 14 1 1 A 77 77 SER CA C 77 58.199 56.525 1.674 1
1 754 . 14 1 1 A 77 77 SER CB C 77 64.099 66.714 -2.615 1
1 755 . 14 1 1 A 77 77 SER N N 77 114.587 116.086 -1.499 1
1 756 . 14 1 1 A 78 78 TYR H H 78 9.056 8.777 0.279 1
1 757 . 14 1 1 A 78 78 TYR HA H 78 4.530 4.950 -0.420 1
1 764 . 14 1 1 A 78 78 TYR CA C 78 56.450 55.920 0.530 1
1 765 . 14 1 1 A 78 78 TYR CB C 78 43.805 41.325 2.480 1
1 770 . 14 1 1 A 78 78 TYR N N 78 127.751 119.114 8.637 1
1 771 . 14 1 1 A 79 79 ALA H H 79 8.558 8.723 -0.165 1
1 772 . 14 1 1 A 79 79 ALA HA H 79 5.233 5.333 -0.100 1
1 776 . 14 1 1 A 79 79 ALA CA C 79 50.806 49.898 0.908 1
1 777 . 14 1 1 A 79 79 ALA CB C 79 23.130 22.459 0.671 1
1 778 . 14 1 1 A 79 79 ALA N N 79 118.647 125.567 -6.920 1
1 779 . 14 1 1 A 80 80 VAL H H 80 8.717 8.535 0.182 1
1 780 . 14 1 1 A 80 80 VAL HA H 80 4.905 4.554 0.351 1
1 788 . 14 1 1 A 80 80 VAL CA C 80 58.760 60.172 -1.412 1
1 789 . 14 1 1 A 80 80 VAL CB C 80 35.087 34.611 0.476 1
1 792 . 14 1 1 A 80 80 VAL N N 80 118.846 118.273 0.573 1
1 793 . 14 1 1 A 81 81 ILE H H 81 8.739 8.713 0.026 1
1 794 . 14 1 1 A 81 81 ILE HA H 81 5.012 5.189 -0.177 1
1 804 . 14 1 1 A 81 81 ILE CA C 81 59.751 59.715 0.036 1
1 805 . 14 1 1 A 81 81 ILE CB C 81 42.030 40.632 1.398 1
1 809 . 14 1 1 A 81 81 ILE N N 81 126.232 129.490 -3.258 1
1 810 . 14 1 1 A 82 82 ALA H H 82 8.388 8.635 -0.247 1
1 811 . 14 1 1 A 82 82 ALA HA H 82 4.449 4.443 0.006 1
1 815 . 14 1 1 A 82 82 ALA CA C 82 50.839 50.621 0.218 1
1 816 . 14 1 1 A 82 82 ALA CB C 82 21.160 19.857 1.303 1
1 817 . 14 1 1 A 82 82 ALA N N 82 128.273 128.153 0.120 1
1 818 . 14 1 1 A 83 83 GLY H H 83 8.841 8.906 -0.065 1
1 819 . 14 1 1 A 83 83 GLY HA2 H 83 3.815 3.833 -0.018 1
1 820 . 14 1 1 A 83 83 GLY HA3 H 83 3.509 3.842 -0.333 1
1 821 . 14 1 1 A 83 83 GLY CA C 83 46.917 47.294 -0.377 1
1 822 . 14 1 1 A 83 83 GLY N N 83 113.065 115.167 -2.102 1
1 823 . 14 1 1 A 85 85 SER H H 85 8.423 7.914 0.509 1
1 824 . 14 1 1 A 85 85 SER HA H 85 4.659 4.383 0.276 1
1 827 . 14 1 1 A 85 85 SER CA C 85 58.485 58.849 -0.364 1
1 828 . 14 1 1 A 85 85 SER CB C 85 64.397 63.853 0.544 1
1 829 . 14 1 1 A 85 85 SER N N 85 119.428 116.074 3.354 1
1 830 . 14 1 1 A 86 86 LYS H H 86 8.490 8.611 -0.121 1
1 831 . 14 1 1 A 86 86 LYS HA H 86 5.243 5.054 0.189 1
1 840 . 14 1 1 A 86 86 LYS CA C 86 54.822 54.568 0.254 1
1 841 . 14 1 1 A 86 86 LYS CB C 86 35.340 34.867 0.473 1
1 845 . 14 1 1 A 86 86 LYS N N 86 125.678 125.939 -0.261 1
1 846 . 14 1 1 A 87 87 VAL H H 87 8.863 8.567 0.296 1
1 847 . 14 1 1 A 87 87 VAL HA H 87 4.300 4.838 -0.538 1
1 855 . 14 1 1 A 87 87 VAL CA C 87 60.870 59.100 1.770 1
1 856 . 14 1 1 A 87 87 VAL CB C 87 34.228 35.449 -1.221 1
1 859 . 14 1 1 A 87 87 VAL N N 87 126.631 121.217 5.414 1
1 860 . 14 1 1 A 88 88 LYS H H 88 8.475 8.635 -0.160 1
1 861 . 14 1 1 A 88 88 LYS HA H 88 5.065 4.948 0.117 1
1 870 . 14 1 1 A 88 88 LYS CA C 88 55.124 54.547 0.577 1
1 871 . 14 1 1 A 88 88 LYS CB C 88 34.479 36.663 -2.184 1
1 874 . 14 1 1 A 88 88 LYS N N 88 125.592 126.403 -0.811 1
1 875 . 14 1 1 A 89 89 PHE H H 89 8.152 8.219 -0.067 1
1 876 . 14 1 1 A 89 89 PHE HA H 89 4.601 5.606 -1.005 1
1 884 . 14 1 1 A 89 89 PHE CA C 89 56.311 55.108 1.203 1
1 885 . 14 1 1 A 89 89 PHE CB C 89 39.383 41.988 -2.605 1
1 888 . 14 1 1 A 89 89 PHE N N 89 119.005 119.201 -0.196 1
1 889 . 14 1 1 A 90 90 ASP H H 90 9.006 8.976 0.030 1
1 890 . 14 1 1 A 90 90 ASP HA H 90 5.565 5.465 0.100 1
1 893 . 14 1 1 A 90 90 ASP CA C 90 53.532 53.338 0.194 1
1 894 . 14 1 1 A 90 90 ASP CB C 90 45.151 43.313 1.838 1
1 895 . 14 1 1 A 90 90 ASP N N 90 118.742 119.859 -1.117 1
1 896 . 14 1 1 A 91 91 LEU H H 91 8.733 8.514 0.219 1
1 897 . 14 1 1 A 91 91 LEU HA H 91 5.137 5.178 -0.041 1
1 907 . 14 1 1 A 91 91 LEU CA C 91 54.171 53.824 0.347 1
1 908 . 14 1 1 A 91 91 LEU CB C 91 45.625 45.272 0.353 1
1 911 . 14 1 1 A 91 91 LEU N N 91 121.344 124.442 -3.098 1
1 912 . 14 1 1 A 92 92 LYS H H 92 8.892 8.961 -0.069 1
1 913 . 14 1 1 A 92 92 LYS HA H 92 4.733 4.883 -0.150 1
1 922 . 14 1 1 A 92 92 LYS CA C 92 54.910 56.014 -1.104 1
1 923 . 14 1 1 A 92 92 LYS CB C 92 35.261 34.385 0.876 1
1 927 . 14 1 1 A 92 92 LYS N N 92 128.486 126.836 1.650 1
1 928 . 14 1 1 A 93 93 VAL H H 93 8.563 8.749 -0.186 1
1 929 . 14 1 1 A 93 93 VAL HA H 93 4.818 5.202 -0.384 1
1 937 . 14 1 1 A 93 93 VAL CA C 93 60.568 60.041 0.527 1
1 938 . 14 1 1 A 93 93 VAL CB C 93 33.024 34.746 -1.722 1
1 941 . 14 1 1 A 93 93 VAL N N 93 124.459 120.610 3.849 1
1 942 . 14 1 1 A 94 94 ILE H H 94 8.395 8.898 -0.503 1
1 943 . 14 1 1 A 94 94 ILE HA H 94 4.162 4.588 -0.426 1
1 953 . 14 1 1 A 94 94 ILE CA C 94 60.238 60.161 0.077 1
1 954 . 14 1 1 A 94 94 ILE CB C 94 39.279 38.662 0.617 1
1 958 . 14 1 1 A 94 94 ILE N N 94 126.433 129.074 -2.641 1
1 1 . 15 1 1 A 3 3 PRO HA H 3 4.235 4.546 -0.311 1
1 8 . 15 1 1 A 3 3 PRO CA C 3 63.375 62.301 1.074 1
1 9 . 15 1 1 A 3 3 PRO CB C 3 31.835 33.224 -1.389 1
1 11 . 15 1 1 A 4 4 GLY H H 4 8.439 7.915 0.524 1
1 12 . 15 1 1 A 4 4 GLY HA2 H 4 3.854 3.827 0.027 1
1 13 . 15 1 1 A 4 4 GLY HA3 H 4 3.819 3.827 -0.008 1
1 14 . 15 1 1 A 4 4 GLY CA C 4 45.043 47.111 -2.068 1
1 15 . 15 1 1 A 4 4 GLY N N 4 108.904 106.258 2.646 1
1 16 . 15 1 1 A 5 5 LYS H H 5 7.974 7.823 0.151 1
1 17 . 15 1 1 A 5 5 LYS HA H 5 4.265 4.760 -0.495 1
1 26 . 15 1 1 A 5 5 LYS CA C 5 55.709 54.512 1.197 1
1 27 . 15 1 1 A 5 5 LYS CB C 5 33.081 35.454 -2.373 1
1 31 . 15 1 1 A 5 5 LYS N N 5 120.616 120.050 0.566 1
1 32 . 15 1 1 A 6 6 LYS H H 6 8.291 8.401 -0.110 1
1 33 . 15 1 1 A 6 6 LYS HA H 6 4.505 4.607 -0.102 1
1 36 . 15 1 1 A 6 6 LYS CA C 6 54.105 54.338 -0.233 1
1 37 . 15 1 1 A 6 6 LYS CB C 6 32.381 31.541 0.840 1
1 38 . 15 1 1 A 6 6 LYS N N 6 124.267 122.837 1.430 1
1 39 . 15 1 1 A 7 7 PRO HA H 7 4.371 4.455 -0.084 1
1 46 . 15 1 1 A 7 7 PRO CA C 7 62.738 62.898 -0.160 1
1 47 . 15 1 1 A 7 7 PRO CB C 7 31.942 32.145 -0.203 1
1 50 . 15 1 1 A 8 8 VAL H H 8 8.244 8.268 -0.024 1
1 51 . 15 1 1 A 8 8 VAL HA H 8 4.012 3.979 0.033 1
1 59 . 15 1 1 A 8 8 VAL CA C 8 61.883 62.172 -0.289 1
1 60 . 15 1 1 A 8 8 VAL CB C 8 32.743 31.105 1.638 1
1 63 . 15 1 1 A 8 8 VAL N N 8 120.593 123.915 -3.322 1
1 64 . 15 1 1 A 9 9 SER H H 9 8.296 8.555 -0.259 1
1 65 . 15 1 1 A 9 9 SER HA H 9 4.315 4.728 -0.413 1
1 68 . 15 1 1 A 9 9 SER CA C 9 57.429 57.910 -0.481 1
1 69 . 15 1 1 A 9 9 SER CB C 9 63.804 64.104 -0.300 1
1 70 . 15 1 1 A 9 9 SER N N 9 118.557 122.744 -4.187 1
1 71 . 15 1 1 A 10 10 ALA H H 10 8.214 8.782 -0.568 1
1 72 . 15 1 1 A 10 10 ALA HA H 10 4.069 4.641 -0.572 1
1 76 . 15 1 1 A 10 10 ALA CA C 10 53.042 51.310 1.732 1
1 77 . 15 1 1 A 10 10 ALA CB C 10 19.919 19.789 0.130 1
1 78 . 15 1 1 A 10 10 ALA N N 10 125.277 124.092 1.185 1
1 79 . 15 1 1 A 11 11 PHE H H 11 8.238 7.812 0.426 1
1 80 . 15 1 1 A 11 11 PHE HA H 11 4.816 4.932 -0.116 1
1 88 . 15 1 1 A 11 11 PHE CA C 11 57.727 56.215 1.512 1
1 89 . 15 1 1 A 11 11 PHE CB C 11 39.854 38.783 1.071 1
1 94 . 15 1 1 A 11 11 PHE N N 11 114.771 118.095 -3.324 1
1 95 . 15 1 1 A 12 12 SER H H 12 8.809 8.868 -0.059 1
1 96 . 15 1 1 A 12 12 SER HA H 12 4.395 4.244 0.151 1
1 99 . 15 1 1 A 12 12 SER CA C 12 58.641 61.546 -2.905 1
1 100 . 15 1 1 A 12 12 SER CB C 12 63.274 63.174 0.100 1
1 101 . 15 1 1 A 12 12 SER N N 12 119.399 120.634 -1.235 1
1 102 . 15 1 1 A 13 13 LYS H H 13 7.884 7.897 -0.013 1
1 103 . 15 1 1 A 13 13 LYS HA H 13 4.575 4.839 -0.264 1
1 112 . 15 1 1 A 13 13 LYS CA C 13 56.362 55.113 1.249 1
1 113 . 15 1 1 A 13 13 LYS CB C 13 35.664 35.016 0.648 1
1 114 . 15 1 1 A 13 13 LYS N N 13 121.565 119.821 1.744 1
1 115 . 15 1 1 A 14 14 LYS H H 14 8.744 8.639 0.105 1
1 116 . 15 1 1 A 14 14 LYS HA H 14 4.313 4.584 -0.271 1
1 123 . 15 1 1 A 14 14 LYS CA C 14 53.374 54.521 -1.147 1
1 124 . 15 1 1 A 14 14 LYS CB C 14 32.741 32.745 -0.004 1
1 127 . 15 1 1 A 14 14 LYS N N 14 125.096 127.720 -2.624 1
1 128 . 15 1 1 A 15 15 PRO HA H 15 4.693 4.928 -0.235 1
1 135 . 15 1 1 A 15 15 PRO CA C 15 62.248 62.277 -0.029 1
1 136 . 15 1 1 A 15 15 PRO CB C 15 31.343 29.855 1.488 1
1 139 . 15 1 1 A 16 16 ARG H H 16 8.118 7.847 0.271 1
1 140 . 15 1 1 A 16 16 ARG HA H 16 4.592 4.349 0.243 1
1 147 . 15 1 1 A 16 16 ARG CA C 16 53.951 56.732 -2.781 1
1 148 . 15 1 1 A 16 16 ARG CB C 16 32.456 31.054 1.402 1
1 151 . 15 1 1 A 16 16 ARG N N 16 119.622 124.411 -4.789 1
1 152 . 15 1 1 A 17 17 SER H H 17 8.511 8.609 -0.098 1
1 153 . 15 1 1 A 17 17 SER HA H 17 5.281 4.764 0.517 1
1 156 . 15 1 1 A 17 17 SER CA C 17 59.888 58.963 0.925 1
1 157 . 15 1 1 A 17 17 SER CB C 17 63.405 64.172 -0.767 1
1 158 . 15 1 1 A 17 17 SER N N 17 117.935 116.890 1.045 1
1 159 . 15 1 1 A 18 18 VAL H H 18 8.389 8.618 -0.229 1
1 160 . 15 1 1 A 18 18 VAL HA H 18 4.660 4.790 -0.130 1
1 168 . 15 1 1 A 18 18 VAL CA C 18 60.004 60.408 -0.404 1
1 169 . 15 1 1 A 18 18 VAL CB C 18 36.675 35.724 0.951 1
1 172 . 15 1 1 A 18 18 VAL N N 18 117.416 122.364 -4.948 1
1 173 . 15 1 1 A 19 19 GLU H H 19 8.190 8.787 -0.597 1
1 174 . 15 1 1 A 19 19 GLU HA H 19 5.351 5.516 -0.165 1
1 179 . 15 1 1 A 19 19 GLU CA C 19 54.138 54.799 -0.661 1
1 180 . 15 1 1 A 19 19 GLU CB C 19 31.658 32.568 -0.910 1
1 181 . 15 1 1 A 19 19 GLU N N 19 124.652 122.566 2.086 1
1 182 . 15 1 1 A 20 20 VAL H H 20 8.616 8.465 0.151 1
1 183 . 15 1 1 A 20 20 VAL HA H 20 4.491 4.706 -0.215 1
1 191 . 15 1 1 A 20 20 VAL CA C 20 59.013 59.591 -0.578 1
1 192 . 15 1 1 A 20 20 VAL CB C 20 36.048 35.843 0.205 1
1 195 . 15 1 1 A 20 20 VAL N N 20 120.245 118.980 1.265 1
1 196 . 15 1 1 A 21 21 ALA H H 21 8.375 8.606 -0.231 1
1 197 . 15 1 1 A 21 21 ALA HA H 21 4.364 4.726 -0.362 1
1 201 . 15 1 1 A 21 21 ALA CA C 21 51.307 51.754 -0.447 1
1 202 . 15 1 1 A 21 21 ALA CB C 21 18.726 19.448 -0.722 1
1 203 . 15 1 1 A 21 21 ALA N N 21 126.173 125.580 0.593 1
1 204 . 15 1 1 A 22 22 ALA H H 22 8.287 8.394 -0.107 1
1 205 . 15 1 1 A 22 22 ALA HA H 22 3.899 3.980 -0.081 1
1 209 . 15 1 1 A 22 22 ALA CA C 22 53.104 53.979 -0.875 1
1 210 . 15 1 1 A 22 22 ALA CB C 22 17.631 18.451 -0.820 1
1 211 . 15 1 1 A 22 22 ALA N N 22 123.045 123.081 -0.036 1
1 212 . 15 1 1 A 23 23 GLY H H 23 9.862 8.854 1.008 1
1 213 . 15 1 1 A 23 23 GLY HA2 H 23 3.255 3.992 -0.737 1
1 214 . 15 1 1 A 23 23 GLY HA3 H 23 4.371 3.995 0.376 1
1 215 . 15 1 1 A 23 23 GLY CA C 23 44.741 44.989 -0.248 1
1 216 . 15 1 1 A 23 23 GLY N N 23 112.047 111.645 0.402 1
1 217 . 15 1 1 A 24 24 SER H H 24 7.944 8.034 -0.090 1
1 218 . 15 1 1 A 24 24 SER HA H 24 4.750 4.390 0.360 1
1 221 . 15 1 1 A 24 24 SER CA C 24 57.787 57.879 -0.092 1
1 222 . 15 1 1 A 24 24 SER CB C 24 63.296 63.797 -0.501 1
1 223 . 15 1 1 A 24 24 SER N N 24 119.405 117.710 1.695 1
1 224 . 15 1 1 A 25 25 PRO HA H 25 5.142 4.653 0.489 1
1 231 . 15 1 1 A 25 25 PRO CA C 25 61.743 62.709 -0.966 1
1 232 . 15 1 1 A 25 25 PRO CB C 25 31.751 32.075 -0.324 1
1 235 . 15 1 1 A 26 26 ALA H H 26 8.688 8.309 0.379 1
1 236 . 15 1 1 A 26 26 ALA HA H 26 4.396 4.799 -0.403 1
1 240 . 15 1 1 A 26 26 ALA CA C 26 49.972 50.609 -0.637 1
1 241 . 15 1 1 A 26 26 ALA CB C 26 22.877 21.924 0.953 1
1 242 . 15 1 1 A 26 26 ALA N N 26 123.024 124.223 -1.199 1
1 243 . 15 1 1 A 27 27 VAL H H 27 7.751 8.420 -0.669 1
1 244 . 15 1 1 A 27 27 VAL HA H 27 4.522 4.882 -0.360 1
1 252 . 15 1 1 A 27 27 VAL CA C 27 60.899 60.663 0.236 1
1 253 . 15 1 1 A 27 27 VAL CB C 27 33.331 34.772 -1.441 1
1 255 . 15 1 1 A 27 27 VAL N N 27 121.938 122.709 -0.771 1
1 256 . 15 1 1 A 28 28 PHE H H 28 9.196 9.127 0.069 1
1 257 . 15 1 1 A 28 28 PHE HA H 28 4.561 4.969 -0.408 1
1 265 . 15 1 1 A 28 28 PHE CA C 28 56.051 56.279 -0.228 1
1 266 . 15 1 1 A 28 28 PHE CB C 28 42.218 41.663 0.555 1
1 271 . 15 1 1 A 28 28 PHE N N 28 126.818 125.615 1.203 1
1 272 . 15 1 1 A 29 29 GLU H H 29 8.583 8.993 -0.410 1
1 273 . 15 1 1 A 29 29 GLU HA H 29 5.405 4.843 0.562 1
1 278 . 15 1 1 A 29 29 GLU CA C 29 54.508 55.999 -1.491 1
1 279 . 15 1 1 A 29 29 GLU CB C 29 33.692 31.149 2.543 1
1 280 . 15 1 1 A 29 29 GLU N N 29 120.733 124.606 -3.873 1
1 281 . 15 1 1 A 30 30 ALA H H 30 9.484 9.572 -0.088 1
1 282 . 15 1 1 A 30 30 ALA HA H 30 4.691 5.325 -0.634 1
1 286 . 15 1 1 A 30 30 ALA CA C 30 49.421 50.843 -1.422 1
1 287 . 15 1 1 A 30 30 ALA CB C 30 23.523 21.803 1.720 1
1 288 . 15 1 1 A 30 30 ALA N N 30 124.341 129.148 -4.807 1
1 289 . 15 1 1 A 31 31 GLU H H 31 9.001 9.470 -0.469 1
1 290 . 15 1 1 A 31 31 GLU HA H 31 6.016 5.260 0.756 1
1 295 . 15 1 1 A 31 31 GLU CA C 31 54.301 55.162 -0.861 1
1 296 . 15 1 1 A 31 31 GLU CB C 31 33.336 32.439 0.897 1
1 298 . 15 1 1 A 31 31 GLU N N 31 120.169 124.153 -3.984 1
1 299 . 15 1 1 A 32 32 THR H H 32 9.330 8.858 0.472 1
1 300 . 15 1 1 A 32 32 THR HA H 32 4.842 4.287 0.555 1
1 305 . 15 1 1 A 32 32 THR CA C 32 59.738 60.065 -0.327 1
1 306 . 15 1 1 A 32 32 THR CB C 32 69.791 71.224 -1.433 1
1 308 . 15 1 1 A 32 32 THR N N 32 115.538 116.605 -1.067 1
1 309 . 15 1 1 A 33 33 GLU H H 33 7.950 8.808 -0.858 1
1 310 . 15 1 1 A 33 33 GLU HA H 33 3.944 4.453 -0.509 1
1 315 . 15 1 1 A 33 33 GLU CA C 33 58.563 57.205 1.358 1
1 316 . 15 1 1 A 33 33 GLU CB C 33 29.836 30.016 -0.180 1
1 318 . 15 1 1 A 33 33 GLU N N 33 119.723 121.978 -2.255 1
1 319 . 15 1 1 A 34 34 ARG H H 34 7.791 7.497 0.294 1
1 320 . 15 1 1 A 34 34 ARG HA H 34 4.490 4.766 -0.276 1
1 327 . 15 1 1 A 34 34 ARG CA C 34 53.485 55.409 -1.924 1
1 328 . 15 1 1 A 34 34 ARG CB C 34 32.411 33.637 -1.226 1
1 331 . 15 1 1 A 34 34 ARG N N 34 113.251 119.252 -6.001 1
1 332 . 15 1 1 A 35 35 ALA H H 35 8.614 8.563 0.051 1
1 333 . 15 1 1 A 35 35 ALA HA H 35 4.050 4.492 -0.442 1
1 337 . 15 1 1 A 35 35 ALA CA C 35 51.762 52.071 -0.309 1
1 338 . 15 1 1 A 35 35 ALA N N 35 125.041 126.757 -1.716 1
1 339 . 15 1 1 A 36 36 GLY H H 36 8.647 8.955 -0.308 1
1 340 . 15 1 1 A 36 36 GLY HA2 H 36 3.634 3.972 -0.338 1
1 341 . 15 1 1 A 36 36 GLY HA3 H 36 3.960 3.985 -0.025 1
1 342 . 15 1 1 A 36 36 GLY CA C 36 45.703 44.992 0.711 1
1 343 . 15 1 1 A 36 36 GLY N N 36 108.031 110.490 -2.459 1
1 344 . 15 1 1 A 37 37 VAL H H 37 7.077 7.742 -0.665 1
1 345 . 15 1 1 A 37 37 VAL HA H 37 3.869 4.141 -0.272 1
1 353 . 15 1 1 A 37 37 VAL CA C 37 61.469 61.378 0.091 1
1 354 . 15 1 1 A 37 37 VAL CB C 37 32.942 31.971 0.971 1
1 357 . 15 1 1 A 37 37 VAL N N 37 119.457 119.116 0.341 1
1 358 . 15 1 1 A 38 38 LYS H H 38 8.467 8.673 -0.206 1
1 359 . 15 1 1 A 38 38 LYS HA H 38 4.267 4.529 -0.262 1
1 366 . 15 1 1 A 38 38 LYS CA C 38 55.873 56.485 -0.612 1
1 367 . 15 1 1 A 38 38 LYS CB C 38 30.881 33.273 -2.392 1
1 370 . 15 1 1 A 38 38 LYS N N 38 128.214 125.651 2.563 1
1 371 . 15 1 1 A 39 39 VAL H H 39 7.993 8.623 -0.630 1
1 372 . 15 1 1 A 39 39 VAL HA H 39 4.537 4.473 0.064 1
1 380 . 15 1 1 A 39 39 VAL CA C 39 60.114 61.277 -1.163 1
1 381 . 15 1 1 A 39 39 VAL CB C 39 33.719 32.331 1.388 1
1 384 . 15 1 1 A 39 39 VAL N N 39 123.133 124.333 -1.200 1
1 385 . 15 1 1 A 40 40 ARG H H 40 8.507 8.442 0.065 1
1 386 . 15 1 1 A 40 40 ARG HA H 40 4.503 4.815 -0.312 1
1 393 . 15 1 1 A 40 40 ARG CA C 40 54.098 55.934 -1.836 1
1 394 . 15 1 1 A 40 40 ARG CB C 40 33.701 30.846 2.855 1
1 397 . 15 1 1 A 40 40 ARG N N 40 124.492 125.835 -1.343 1
1 398 . 15 1 1 A 41 41 TRP H H 41 9.083 8.998 0.085 1
1 399 . 15 1 1 A 41 41 TRP HA H 41 5.311 5.434 -0.123 1
1 408 . 15 1 1 A 41 41 TRP CA C 41 55.134 55.916 -0.782 1
1 409 . 15 1 1 A 41 41 TRP CB C 41 31.370 32.493 -1.123 1
1 413 . 15 1 1 A 41 41 TRP N N 41 123.367 121.753 1.614 1
1 415 . 15 1 1 A 42 42 GLN H H 42 9.532 9.114 0.418 1
1 416 . 15 1 1 A 42 42 GLN HA H 42 5.159 4.938 0.221 1
1 423 . 15 1 1 A 42 42 GLN CA C 42 54.445 54.507 -0.062 1
1 424 . 15 1 1 A 42 42 GLN CB C 42 34.775 33.332 1.443 1
1 426 . 15 1 1 A 42 42 GLN N N 42 118.692 120.722 -2.030 1
1 427 . 15 1 1 A 43 43 ARG H H 43 8.209 8.723 -0.514 1
1 428 . 15 1 1 A 43 43 ARG HA H 43 4.039 4.089 -0.050 1
1 435 . 15 1 1 A 43 43 ARG CA C 43 54.790 54.619 0.171 1
1 436 . 15 1 1 A 43 43 ARG CB C 43 32.202 31.305 0.897 1
1 439 . 15 1 1 A 43 43 ARG N N 43 119.579 123.017 -3.438 1
1 440 . 15 1 1 A 46 46 SER H H 46 7.513 7.520 -0.007 1
1 441 . 15 1 1 A 46 46 SER HA H 46 4.674 5.005 -0.331 1
1 444 . 15 1 1 A 46 46 SER CA C 46 56.766 57.497 -0.731 1
1 445 . 15 1 1 A 46 46 SER CB C 46 64.815 66.406 -1.591 1
1 446 . 15 1 1 A 46 46 SER N N 46 114.927 115.305 -0.378 1
1 447 . 15 1 1 A 47 47 ASP H H 47 8.698 8.752 -0.054 1
1 448 . 15 1 1 A 47 47 ASP HA H 47 4.830 5.165 -0.335 1
1 451 . 15 1 1 A 47 47 ASP CA C 47 55.177 52.994 2.183 1
1 452 . 15 1 1 A 47 47 ASP CB C 47 40.385 42.849 -2.464 1
1 453 . 15 1 1 A 47 47 ASP N N 47 125.553 123.684 1.869 1
1 454 . 15 1 1 A 48 48 ILE H H 48 8.781 9.106 -0.325 1
1 455 . 15 1 1 A 48 48 ILE HA H 48 3.879 4.704 -0.825 1
1 465 . 15 1 1 A 48 48 ILE CA C 48 61.218 59.829 1.389 1
1 466 . 15 1 1 A 48 48 ILE CB C 48 39.345 40.204 -0.859 1
1 470 . 15 1 1 A 48 48 ILE N N 48 124.032 126.840 -2.808 1
1 471 . 15 1 1 A 49 49 SER H H 49 7.963 8.603 -0.640 1
1 472 . 15 1 1 A 49 49 SER HA H 49 4.681 4.920 -0.239 1
1 475 . 15 1 1 A 49 49 SER CA C 49 56.256 56.724 -0.468 1
1 476 . 15 1 1 A 49 49 SER CB C 49 65.243 65.532 -0.289 1
1 477 . 15 1 1 A 49 49 SER N N 49 121.077 119.204 1.873 1
1 478 . 15 1 1 A 50 50 ALA H H 50 8.516 8.405 0.111 1
1 479 . 15 1 1 A 50 50 ALA HA H 50 4.302 4.361 -0.059 1
1 483 . 15 1 1 A 50 50 ALA CA C 50 53.052 52.947 0.105 1
1 484 . 15 1 1 A 50 50 ALA CB C 50 18.821 18.355 0.466 1
1 485 . 15 1 1 A 50 50 ALA N N 50 123.977 127.406 -3.429 1
1 486 . 15 1 1 A 51 51 SER H H 51 9.564 8.626 0.938 1
1 487 . 15 1 1 A 51 51 SER HA H 51 4.797 4.840 -0.043 1
1 490 . 15 1 1 A 51 51 SER CA C 51 56.946 57.379 -0.433 1
1 491 . 15 1 1 A 51 51 SER CB C 51 65.759 66.049 -0.290 1
1 492 . 15 1 1 A 51 51 SER N N 51 117.545 118.098 -0.553 1
1 494 . 15 1 1 A 52 52 ASN CA C 52 55.930 54.486 1.444 1
1 495 . 15 1 1 A 52 52 ASN CB C 52 37.045 38.417 -1.372 1
1 496 . 15 1 1 A 53 53 LYS H H 53 8.053 8.911 -0.858 1
1 497 . 15 1 1 A 53 53 LYS HA H 53 3.995 3.974 0.021 1
1 506 . 15 1 1 A 53 53 LYS CA C 53 53.699 57.818 -4.119 1
1 507 . 15 1 1 A 53 53 LYS CB C 53 33.687 32.021 1.666 1
1 511 . 15 1 1 A 53 53 LYS N N 53 121.638 124.762 -3.124 1
1 512 . 15 1 1 A 54 54 TYR H H 54 6.779 7.856 -1.077 1
1 513 . 15 1 1 A 54 54 TYR HA H 54 5.484 5.290 0.194 1
1 520 . 15 1 1 A 54 54 TYR CA C 54 55.016 56.365 -1.349 1
1 521 . 15 1 1 A 54 54 TYR CB C 54 40.147 43.004 -2.857 1
1 526 . 15 1 1 A 54 54 TYR N N 54 114.754 118.467 -3.713 1
1 527 . 15 1 1 A 55 55 GLY H H 55 9.666 8.570 1.096 1
1 528 . 15 1 1 A 55 55 GLY HA2 H 55 4.653 4.337 0.316 1
1 529 . 15 1 1 A 55 55 GLY HA3 H 55 3.343 4.359 -1.016 1
1 530 . 15 1 1 A 55 55 GLY CA C 55 44.332 44.796 -0.464 1
1 531 . 15 1 1 A 55 55 GLY N N 55 110.691 109.475 1.216 1
1 532 . 15 1 1 A 56 56 LEU H H 56 8.542 8.957 -0.415 1
1 533 . 15 1 1 A 56 56 LEU HA H 56 5.138 5.050 0.088 1
1 543 . 15 1 1 A 56 56 LEU CA C 56 54.213 53.538 0.675 1
1 544 . 15 1 1 A 56 56 LEU CB C 56 45.206 45.523 -0.317 1
1 548 . 15 1 1 A 56 56 LEU N N 56 125.972 125.525 0.447 1
1 549 . 15 1 1 A 57 57 ALA H H 57 8.594 9.127 -0.533 1
1 550 . 15 1 1 A 57 57 ALA HA H 57 4.790 5.416 -0.626 1
1 554 . 15 1 1 A 57 57 ALA CA C 57 51.318 50.141 1.177 1
1 555 . 15 1 1 A 57 57 ALA CB C 57 22.564 23.227 -0.663 1
1 556 . 15 1 1 A 57 57 ALA N N 57 124.534 125.831 -1.297 1
1 557 . 15 1 1 A 58 58 THR H H 58 8.602 8.534 0.068 1
1 558 . 15 1 1 A 58 58 THR HA H 58 4.862 4.668 0.194 1
1 563 . 15 1 1 A 58 58 THR CA C 58 62.034 60.228 1.806 1
1 564 . 15 1 1 A 58 58 THR CB C 58 72.197 71.100 1.097 1
1 566 . 15 1 1 A 58 58 THR N N 58 119.396 113.413 5.983 1
1 567 . 15 1 1 A 59 59 GLU H H 59 8.883 8.575 0.308 1
1 568 . 15 1 1 A 59 59 GLU HA H 59 4.378 4.826 -0.448 1
1 573 . 15 1 1 A 59 59 GLU CA C 59 54.955 55.176 -0.221 1
1 574 . 15 1 1 A 59 59 GLU CB C 59 31.121 31.523 -0.402 1
1 576 . 15 1 1 A 59 59 GLU N N 59 128.594 124.759 3.835 1
1 577 . 15 1 1 A 60 60 GLY H H 60 9.045 8.930 0.115 1
1 578 . 15 1 1 A 60 60 GLY HA2 H 60 4.081 3.869 0.212 1
1 579 . 15 1 1 A 60 60 GLY HA3 H 60 3.529 3.872 -0.343 1
1 580 . 15 1 1 A 60 60 GLY CA C 60 47.127 47.242 -0.115 1
1 581 . 15 1 1 A 60 60 GLY N N 60 117.047 113.781 3.266 1
1 582 . 15 1 1 A 61 61 THR H H 61 8.332 8.554 -0.222 1
1 583 . 15 1 1 A 61 61 THR HA H 61 4.129 4.640 -0.511 1
1 588 . 15 1 1 A 61 61 THR CA C 61 61.659 61.407 0.252 1
1 589 . 15 1 1 A 61 61 THR CB C 61 68.477 69.163 -0.686 1
1 591 . 15 1 1 A 61 61 THR N N 61 118.086 118.909 -0.823 1
1 592 . 15 1 1 A 62 62 ARG H H 62 7.906 7.413 0.493 1
1 593 . 15 1 1 A 62 62 ARG HA H 62 4.754 5.059 -0.305 1
1 600 . 15 1 1 A 62 62 ARG CA C 62 56.040 54.719 1.321 1
1 601 . 15 1 1 A 62 62 ARG CB C 62 31.775 32.337 -0.562 1
1 604 . 15 1 1 A 62 62 ARG N N 62 121.911 121.550 0.361 1
1 605 . 15 1 1 A 63 63 HIS H H 63 9.212 9.541 -0.329 1
1 606 . 15 1 1 A 63 63 HIS HA H 63 5.364 5.446 -0.082 1
1 611 . 15 1 1 A 63 63 HIS CA C 63 55.066 54.329 0.737 1
1 612 . 15 1 1 A 63 63 HIS CB C 63 33.860 32.829 1.031 1
1 614 . 15 1 1 A 63 63 HIS N N 63 127.111 121.627 5.484 1
1 615 . 15 1 1 A 64 64 THR H H 64 9.261 9.018 0.243 1
1 616 . 15 1 1 A 64 64 THR HA H 64 5.510 5.264 0.246 1
1 621 . 15 1 1 A 64 64 THR CA C 64 60.691 61.925 -1.234 1
1 622 . 15 1 1 A 64 64 THR CB C 64 71.788 70.399 1.389 1
1 624 . 15 1 1 A 64 64 THR N N 64 117.400 118.560 -1.160 1
1 625 . 15 1 1 A 65 65 LEU H H 65 8.456 9.029 -0.573 1
1 626 . 15 1 1 A 65 65 LEU HA H 65 4.642 4.775 -0.133 1
1 636 . 15 1 1 A 65 65 LEU CA C 65 52.783 52.971 -0.188 1
1 637 . 15 1 1 A 65 65 LEU CB C 65 41.350 43.614 -2.264 1
1 641 . 15 1 1 A 65 65 LEU N N 65 129.806 129.970 -0.164 1
1 642 . 15 1 1 A 66 66 THR H H 66 9.381 8.784 0.597 1
1 643 . 15 1 1 A 66 66 THR HA H 66 4.975 4.929 0.046 1
1 648 . 15 1 1 A 66 66 THR CA C 66 61.072 61.962 -0.890 1
1 649 . 15 1 1 A 66 66 THR CB C 66 70.346 69.581 0.765 1
1 651 . 15 1 1 A 66 66 THR N N 66 123.110 124.212 -1.102 1
1 652 . 15 1 1 A 67 67 VAL H H 67 9.493 9.046 0.447 1
1 653 . 15 1 1 A 67 67 VAL HA H 67 4.317 4.795 -0.478 1
1 661 . 15 1 1 A 67 67 VAL CA C 67 61.300 59.793 1.507 1
1 662 . 15 1 1 A 67 67 VAL CB C 67 31.636 34.883 -3.247 1
1 665 . 15 1 1 A 67 67 VAL N N 67 128.451 120.831 7.620 1
1 666 . 15 1 1 A 68 68 ARG H H 68 8.500 8.787 -0.287 1
1 667 . 15 1 1 A 68 68 ARG HA H 68 3.839 4.352 -0.513 1
1 674 . 15 1 1 A 68 68 ARG CA C 68 57.379 56.503 0.876 1
1 675 . 15 1 1 A 68 68 ARG CB C 68 30.481 30.509 -0.028 1
1 678 . 15 1 1 A 68 68 ARG N N 68 124.308 123.949 0.359 1
1 679 . 15 1 1 A 69 69 GLU H H 69 8.545 8.029 0.516 1
1 680 . 15 1 1 A 69 69 GLU HA H 69 3.147 4.044 -0.897 1
1 685 . 15 1 1 A 69 69 GLU CA C 69 55.733 58.376 -2.643 1
1 686 . 15 1 1 A 69 69 GLU CB C 69 28.793 29.560 -0.767 1
1 688 . 15 1 1 A 69 69 GLU N N 69 118.177 119.626 -1.449 1
1 689 . 15 1 1 A 70 70 VAL H H 70 7.771 7.254 0.517 1
1 690 . 15 1 1 A 70 70 VAL HA H 70 3.810 4.195 -0.385 1
1 698 . 15 1 1 A 70 70 VAL CA C 70 63.848 62.712 1.136 1
1 699 . 15 1 1 A 70 70 VAL CB C 70 31.885 32.144 -0.259 1
1 702 . 15 1 1 A 70 70 VAL N N 70 117.579 119.432 -1.853 1
1 703 . 15 1 1 A 71 71 GLY H H 71 9.389 8.299 1.090 1
1 704 . 15 1 1 A 71 71 GLY HA2 H 71 4.470 4.221 0.249 1
1 705 . 15 1 1 A 71 71 GLY HA3 H 71 3.895 4.225 -0.330 1
1 706 . 15 1 1 A 71 71 GLY CA C 71 43.915 45.521 -1.606 1
1 707 . 15 1 1 A 71 71 GLY N N 71 114.169 113.840 0.329 1
1 708 . 15 1 1 A 72 72 PRO HA H 72 4.038 4.444 -0.406 1
1 715 . 15 1 1 A 72 72 PRO CA C 72 65.800 64.595 1.205 1
1 716 . 15 1 1 A 72 72 PRO CB C 72 31.553 31.784 -0.231 1
1 719 . 15 1 1 A 73 73 ALA H H 73 8.558 8.319 0.239 1
1 720 . 15 1 1 A 73 73 ALA HA H 73 4.186 4.282 -0.096 1
1 724 . 15 1 1 A 73 73 ALA CA C 73 53.826 53.542 0.284 1
1 725 . 15 1 1 A 73 73 ALA CB C 73 18.152 19.053 -0.901 1
1 726 . 15 1 1 A 73 73 ALA N N 73 118.164 119.835 -1.671 1
1 727 . 15 1 1 A 74 74 ASP H H 74 8.381 7.739 0.642 1
1 728 . 15 1 1 A 74 74 ASP HA H 74 4.586 4.736 -0.150 1
1 731 . 15 1 1 A 74 74 ASP CA C 74 55.178 54.036 1.142 1
1 732 . 15 1 1 A 74 74 ASP CB C 74 42.280 42.180 0.100 1
1 733 . 15 1 1 A 74 74 ASP N N 74 113.856 116.749 -2.893 1
1 734 . 15 1 1 A 75 75 GLN H H 75 7.409 7.737 -0.328 1
1 735 . 15 1 1 A 75 75 GLN HA H 75 4.252 4.169 0.083 1
1 740 . 15 1 1 A 75 75 GLN CA C 75 56.682 57.397 -0.715 1
1 741 . 15 1 1 A 75 75 GLN CB C 75 30.337 28.721 1.616 1
1 743 . 15 1 1 A 75 75 GLN N N 75 119.456 120.249 -0.793 1
1 744 . 15 1 1 A 76 76 GLY H H 76 8.984 8.329 0.655 1
1 745 . 15 1 1 A 76 76 GLY HA2 H 76 4.610 4.262 0.348 1
1 746 . 15 1 1 A 76 76 GLY HA3 H 76 3.863 4.273 -0.410 1
1 747 . 15 1 1 A 76 76 GLY CA C 76 44.149 46.318 -2.169 1
1 748 . 15 1 1 A 76 76 GLY N N 76 112.000 113.824 -1.824 1
1 749 . 15 1 1 A 77 77 SER H H 77 8.106 8.701 -0.595 1
1 750 . 15 1 1 A 77 77 SER HA H 77 5.009 5.416 -0.407 1
1 753 . 15 1 1 A 77 77 SER CA C 77 58.199 56.530 1.669 1
1 754 . 15 1 1 A 77 77 SER CB C 77 64.099 66.800 -2.701 1
1 755 . 15 1 1 A 77 77 SER N N 77 114.587 116.772 -2.185 1
1 756 . 15 1 1 A 78 78 TYR H H 78 9.056 8.702 0.354 1
1 757 . 15 1 1 A 78 78 TYR HA H 78 4.530 4.947 -0.417 1
1 764 . 15 1 1 A 78 78 TYR CA C 78 56.450 55.909 0.541 1
1 765 . 15 1 1 A 78 78 TYR CB C 78 43.805 41.332 2.473 1
1 770 . 15 1 1 A 78 78 TYR N N 78 127.751 119.098 8.653 1
1 771 . 15 1 1 A 79 79 ALA H H 79 8.558 8.676 -0.118 1
1 772 . 15 1 1 A 79 79 ALA HA H 79 5.233 5.351 -0.118 1
1 776 . 15 1 1 A 79 79 ALA CA C 79 50.806 49.866 0.940 1
1 777 . 15 1 1 A 79 79 ALA CB C 79 23.130 22.568 0.562 1
1 778 . 15 1 1 A 79 79 ALA N N 79 118.647 125.208 -6.561 1
1 779 . 15 1 1 A 80 80 VAL H H 80 8.717 8.601 0.116 1
1 780 . 15 1 1 A 80 80 VAL HA H 80 4.905 4.600 0.305 1
1 788 . 15 1 1 A 80 80 VAL CA C 80 58.760 60.183 -1.423 1
1 789 . 15 1 1 A 80 80 VAL CB C 80 35.087 34.707 0.380 1
1 792 . 15 1 1 A 80 80 VAL N N 80 118.846 118.090 0.756 1
1 793 . 15 1 1 A 81 81 ILE H H 81 8.739 8.821 -0.082 1
1 794 . 15 1 1 A 81 81 ILE HA H 81 5.012 4.908 0.104 1
1 804 . 15 1 1 A 81 81 ILE CA C 81 59.751 59.769 -0.018 1
1 805 . 15 1 1 A 81 81 ILE CB C 81 42.030 40.651 1.379 1
1 809 . 15 1 1 A 81 81 ILE N N 81 126.232 129.952 -3.720 1
1 810 . 15 1 1 A 82 82 ALA H H 82 8.388 8.732 -0.344 1
1 811 . 15 1 1 A 82 82 ALA HA H 82 4.449 4.449 0.000 1
1 815 . 15 1 1 A 82 82 ALA CA C 82 50.839 50.617 0.222 1
1 816 . 15 1 1 A 82 82 ALA CB C 82 21.160 19.735 1.425 1
1 817 . 15 1 1 A 82 82 ALA N N 82 128.273 128.435 -0.162 1
1 818 . 15 1 1 A 83 83 GLY H H 83 8.841 8.884 -0.043 1
1 819 . 15 1 1 A 83 83 GLY HA2 H 83 3.815 3.841 -0.026 1
1 820 . 15 1 1 A 83 83 GLY HA3 H 83 3.509 3.850 -0.341 1
1 821 . 15 1 1 A 83 83 GLY CA C 83 46.917 47.228 -0.311 1
1 822 . 15 1 1 A 83 83 GLY N N 83 113.065 114.931 -1.866 1
1 823 . 15 1 1 A 85 85 SER H H 85 8.423 7.915 0.508 1
1 824 . 15 1 1 A 85 85 SER HA H 85 4.659 4.401 0.258 1
1 827 . 15 1 1 A 85 85 SER CA C 85 58.485 58.846 -0.361 1
1 828 . 15 1 1 A 85 85 SER CB C 85 64.397 63.716 0.681 1
1 829 . 15 1 1 A 85 85 SER N N 85 119.428 116.510 2.918 1
1 830 . 15 1 1 A 86 86 LYS H H 86 8.490 8.957 -0.467 1
1 831 . 15 1 1 A 86 86 LYS HA H 86 5.243 5.128 0.115 1
1 840 . 15 1 1 A 86 86 LYS CA C 86 54.822 54.477 0.345 1
1 841 . 15 1 1 A 86 86 LYS CB C 86 35.340 36.102 -0.762 1
1 845 . 15 1 1 A 86 86 LYS N N 86 125.678 121.411 4.267 1
1 846 . 15 1 1 A 87 87 VAL H H 87 8.863 8.398 0.465 1
1 847 . 15 1 1 A 87 87 VAL HA H 87 4.300 4.778 -0.478 1
1 855 . 15 1 1 A 87 87 VAL CA C 87 60.870 58.517 2.353 1
1 856 . 15 1 1 A 87 87 VAL CB C 87 34.228 35.429 -1.201 1
1 859 . 15 1 1 A 87 87 VAL N N 87 126.631 117.404 9.227 1
1 860 . 15 1 1 A 88 88 LYS H H 88 8.475 8.605 -0.130 1
1 861 . 15 1 1 A 88 88 LYS HA H 88 5.065 5.259 -0.194 1
1 870 . 15 1 1 A 88 88 LYS CA C 88 55.124 54.581 0.543 1
1 871 . 15 1 1 A 88 88 LYS CB C 88 34.479 36.698 -2.219 1
1 874 . 15 1 1 A 88 88 LYS N N 88 125.592 121.854 3.738 1
1 875 . 15 1 1 A 89 89 PHE H H 89 8.152 8.262 -0.110 1
1 876 . 15 1 1 A 89 89 PHE HA H 89 4.601 5.635 -1.034 1
1 884 . 15 1 1 A 89 89 PHE CA C 89 56.311 55.059 1.252 1
1 885 . 15 1 1 A 89 89 PHE CB C 89 39.383 42.131 -2.748 1
1 888 . 15 1 1 A 89 89 PHE N N 89 119.005 119.232 -0.227 1
1 889 . 15 1 1 A 90 90 ASP H H 90 9.006 8.684 0.322 1
1 890 . 15 1 1 A 90 90 ASP HA H 90 5.565 5.231 0.334 1
1 893 . 15 1 1 A 90 90 ASP CA C 90 53.532 54.039 -0.507 1
1 894 . 15 1 1 A 90 90 ASP CB C 90 45.151 42.852 2.299 1
1 895 . 15 1 1 A 90 90 ASP N N 90 118.742 119.988 -1.246 1
1 896 . 15 1 1 A 91 91 LEU H H 91 8.733 9.068 -0.335 1
1 897 . 15 1 1 A 91 91 LEU HA H 91 5.137 5.201 -0.064 1
1 907 . 15 1 1 A 91 91 LEU CA C 91 54.171 53.595 0.576 1
1 908 . 15 1 1 A 91 91 LEU CB C 91 45.625 44.684 0.941 1
1 911 . 15 1 1 A 91 91 LEU N N 91 121.344 126.143 -4.799 1
1 912 . 15 1 1 A 92 92 LYS H H 92 8.892 8.669 0.223 1
1 913 . 15 1 1 A 92 92 LYS HA H 92 4.733 4.813 -0.080 1
1 922 . 15 1 1 A 92 92 LYS CA C 92 54.910 55.399 -0.489 1
1 923 . 15 1 1 A 92 92 LYS CB C 92 35.261 34.195 1.066 1
1 927 . 15 1 1 A 92 92 LYS N N 92 128.486 126.785 1.701 1
1 928 . 15 1 1 A 93 93 VAL H H 93 8.563 8.618 -0.055 1
1 929 . 15 1 1 A 93 93 VAL HA H 93 4.818 5.006 -0.188 1
1 937 . 15 1 1 A 93 93 VAL CA C 93 60.568 61.237 -0.669 1
1 938 . 15 1 1 A 93 93 VAL CB C 93 33.024 33.999 -0.975 1
1 941 . 15 1 1 A 93 93 VAL N N 93 124.459 122.057 2.402 1
1 942 . 15 1 1 A 94 94 ILE H H 94 8.395 8.832 -0.437 1
1 943 . 15 1 1 A 94 94 ILE HA H 94 4.162 4.572 -0.410 1
1 953 . 15 1 1 A 94 94 ILE CA C 94 60.238 60.036 0.202 1
1 954 . 15 1 1 A 94 94 ILE CB C 94 39.279 38.884 0.395 1
1 958 . 15 1 1 A 94 94 ILE N N 94 126.433 127.864 -1.431 1
1 1 . 16 1 1 A 3 3 PRO HA H 3 4.235 4.550 -0.315 1
1 8 . 16 1 1 A 3 3 PRO CA C 3 63.375 62.738 0.637 1
1 9 . 16 1 1 A 3 3 PRO CB C 3 31.835 32.615 -0.780 1
1 11 . 16 1 1 A 4 4 GLY H H 4 8.439 8.517 -0.078 1
1 12 . 16 1 1 A 4 4 GLY HA2 H 4 3.854 3.830 0.024 1
1 13 . 16 1 1 A 4 4 GLY HA3 H 4 3.819 3.830 -0.011 1
1 14 . 16 1 1 A 4 4 GLY CA C 4 45.043 47.232 -2.189 1
1 15 . 16 1 1 A 4 4 GLY N N 4 108.904 108.510 0.394 1
1 16 . 16 1 1 A 5 5 LYS H H 5 7.974 7.708 0.266 1
1 17 . 16 1 1 A 5 5 LYS HA H 5 4.265 4.357 -0.092 1
1 26 . 16 1 1 A 5 5 LYS CA C 5 55.709 55.170 0.539 1
1 27 . 16 1 1 A 5 5 LYS CB C 5 33.081 33.042 0.039 1
1 31 . 16 1 1 A 5 5 LYS N N 5 120.616 118.692 1.924 1
1 32 . 16 1 1 A 6 6 LYS H H 6 8.291 8.393 -0.102 1
1 33 . 16 1 1 A 6 6 LYS HA H 6 4.505 4.608 -0.103 1
1 36 . 16 1 1 A 6 6 LYS CA C 6 54.105 54.333 -0.228 1
1 37 . 16 1 1 A 6 6 LYS CB C 6 32.381 31.413 0.968 1
1 38 . 16 1 1 A 6 6 LYS N N 6 124.267 123.253 1.014 1
1 39 . 16 1 1 A 7 7 PRO HA H 7 4.371 4.455 -0.084 1
1 46 . 16 1 1 A 7 7 PRO CA C 7 62.738 62.764 -0.026 1
1 47 . 16 1 1 A 7 7 PRO CB C 7 31.942 31.793 0.149 1
1 50 . 16 1 1 A 8 8 VAL H H 8 8.244 8.364 -0.120 1
1 51 . 16 1 1 A 8 8 VAL HA H 8 4.012 3.993 0.019 1
1 59 . 16 1 1 A 8 8 VAL CA C 8 61.883 62.137 -0.254 1
1 60 . 16 1 1 A 8 8 VAL CB C 8 32.743 31.107 1.636 1
1 63 . 16 1 1 A 8 8 VAL N N 8 120.593 123.538 -2.945 1
1 64 . 16 1 1 A 9 9 SER H H 9 8.296 8.643 -0.347 1
1 65 . 16 1 1 A 9 9 SER HA H 9 4.315 4.483 -0.168 1
1 68 . 16 1 1 A 9 9 SER CA C 9 57.429 60.260 -2.831 1
1 69 . 16 1 1 A 9 9 SER CB C 9 63.804 63.800 0.004 1
1 70 . 16 1 1 A 9 9 SER N N 9 118.557 124.514 -5.957 1
1 71 . 16 1 1 A 10 10 ALA H H 10 8.214 8.758 -0.544 1
1 72 . 16 1 1 A 10 10 ALA HA H 10 4.069 4.602 -0.533 1
1 76 . 16 1 1 A 10 10 ALA CA C 10 53.042 51.303 1.739 1
1 77 . 16 1 1 A 10 10 ALA CB C 10 19.919 20.056 -0.137 1
1 78 . 16 1 1 A 10 10 ALA N N 10 125.277 128.457 -3.180 1
1 79 . 16 1 1 A 11 11 PHE H H 11 8.238 7.784 0.454 1
1 80 . 16 1 1 A 11 11 PHE HA H 11 4.816 4.932 -0.116 1
1 88 . 16 1 1 A 11 11 PHE CA C 11 57.727 56.213 1.514 1
1 89 . 16 1 1 A 11 11 PHE CB C 11 39.854 38.873 0.981 1
1 94 . 16 1 1 A 11 11 PHE N N 11 114.771 118.180 -3.409 1
1 95 . 16 1 1 A 12 12 SER H H 12 8.809 8.866 -0.057 1
1 96 . 16 1 1 A 12 12 SER HA H 12 4.395 4.251 0.144 1
1 99 . 16 1 1 A 12 12 SER CA C 12 58.641 61.544 -2.903 1
1 100 . 16 1 1 A 12 12 SER CB C 12 63.274 63.132 0.142 1
1 101 . 16 1 1 A 12 12 SER N N 12 119.399 121.173 -1.774 1
1 102 . 16 1 1 A 13 13 LYS H H 13 7.884 7.910 -0.026 1
1 103 . 16 1 1 A 13 13 LYS HA H 13 4.575 4.839 -0.264 1
1 112 . 16 1 1 A 13 13 LYS CA C 13 56.362 55.116 1.246 1
1 113 . 16 1 1 A 13 13 LYS CB C 13 35.664 35.036 0.628 1
1 114 . 16 1 1 A 13 13 LYS N N 13 121.565 119.826 1.739 1
1 115 . 16 1 1 A 14 14 LYS H H 14 8.744 8.574 0.170 1
1 116 . 16 1 1 A 14 14 LYS HA H 14 4.313 4.553 -0.240 1
1 123 . 16 1 1 A 14 14 LYS CA C 14 53.374 54.363 -0.989 1
1 124 . 16 1 1 A 14 14 LYS CB C 14 32.741 33.009 -0.268 1
1 127 . 16 1 1 A 14 14 LYS N N 14 125.096 127.601 -2.505 1
1 128 . 16 1 1 A 15 15 PRO HA H 15 4.693 4.883 -0.190 1
1 135 . 16 1 1 A 15 15 PRO CA C 15 62.248 62.195 0.053 1
1 136 . 16 1 1 A 15 15 PRO CB C 15 31.343 29.092 2.251 1
1 139 . 16 1 1 A 16 16 ARG H H 16 8.118 8.226 -0.108 1
1 140 . 16 1 1 A 16 16 ARG HA H 16 4.592 4.230 0.362 1
1 147 . 16 1 1 A 16 16 ARG CA C 16 53.951 56.282 -2.331 1
1 148 . 16 1 1 A 16 16 ARG CB C 16 32.456 30.435 2.021 1
1 151 . 16 1 1 A 16 16 ARG N N 16 119.622 119.324 0.298 1
1 152 . 16 1 1 A 17 17 SER H H 17 8.511 8.629 -0.118 1
1 153 . 16 1 1 A 17 17 SER HA H 17 5.281 4.578 0.703 1
1 156 . 16 1 1 A 17 17 SER CA C 17 59.888 58.458 1.430 1
1 157 . 16 1 1 A 17 17 SER CB C 17 63.405 63.810 -0.405 1
1 158 . 16 1 1 A 17 17 SER N N 17 117.935 116.106 1.829 1
1 159 . 16 1 1 A 18 18 VAL H H 18 8.389 9.226 -0.837 1
1 160 . 16 1 1 A 18 18 VAL HA H 18 4.660 5.151 -0.491 1
1 168 . 16 1 1 A 18 18 VAL CA C 18 60.004 58.944 1.060 1
1 169 . 16 1 1 A 18 18 VAL CB C 18 36.675 35.985 0.690 1
1 172 . 16 1 1 A 18 18 VAL N N 18 117.416 117.847 -0.431 1
1 173 . 16 1 1 A 19 19 GLU H H 19 8.190 8.935 -0.745 1
1 174 . 16 1 1 A 19 19 GLU HA H 19 5.351 5.451 -0.100 1
1 179 . 16 1 1 A 19 19 GLU CA C 19 54.138 54.713 -0.575 1
1 180 . 16 1 1 A 19 19 GLU CB C 19 31.658 33.087 -1.429 1
1 181 . 16 1 1 A 19 19 GLU N N 19 124.652 120.242 4.410 1
1 182 . 16 1 1 A 20 20 VAL H H 20 8.616 8.402 0.214 1
1 183 . 16 1 1 A 20 20 VAL HA H 20 4.491 4.718 -0.227 1
1 191 . 16 1 1 A 20 20 VAL CA C 20 59.013 59.564 -0.551 1
1 192 . 16 1 1 A 20 20 VAL CB C 20 36.048 35.772 0.276 1
1 195 . 16 1 1 A 20 20 VAL N N 20 120.245 118.786 1.459 1
1 196 . 16 1 1 A 21 21 ALA H H 21 8.375 8.592 -0.217 1
1 197 . 16 1 1 A 21 21 ALA HA H 21 4.364 4.602 -0.238 1
1 201 . 16 1 1 A 21 21 ALA CA C 21 51.307 52.035 -0.728 1
1 202 . 16 1 1 A 21 21 ALA CB C 21 18.726 19.145 -0.419 1
1 203 . 16 1 1 A 21 21 ALA N N 21 126.173 125.617 0.556 1
1 204 . 16 1 1 A 22 22 ALA H H 22 8.287 8.167 0.120 1
1 205 . 16 1 1 A 22 22 ALA HA H 22 3.899 3.994 -0.095 1
1 209 . 16 1 1 A 22 22 ALA CA C 22 53.104 53.966 -0.862 1
1 210 . 16 1 1 A 22 22 ALA CB C 22 17.631 18.502 -0.871 1
1 211 . 16 1 1 A 22 22 ALA N N 22 123.045 123.246 -0.201 1
1 212 . 16 1 1 A 23 23 GLY H H 23 9.862 8.850 1.012 1
1 213 . 16 1 1 A 23 23 GLY HA2 H 23 3.255 3.986 -0.731 1
1 214 . 16 1 1 A 23 23 GLY HA3 H 23 4.371 3.989 0.382 1
1 215 . 16 1 1 A 23 23 GLY CA C 23 44.741 45.034 -0.293 1
1 216 . 16 1 1 A 23 23 GLY N N 23 112.047 111.418 0.629 1
1 217 . 16 1 1 A 24 24 SER H H 24 7.944 7.987 -0.043 1
1 218 . 16 1 1 A 24 24 SER HA H 24 4.750 4.486 0.264 1
1 221 . 16 1 1 A 24 24 SER CA C 24 57.787 57.555 0.232 1
1 222 . 16 1 1 A 24 24 SER CB C 24 63.296 63.351 -0.055 1
1 223 . 16 1 1 A 24 24 SER N N 24 119.405 117.612 1.793 1
1 224 . 16 1 1 A 25 25 PRO HA H 25 5.142 4.625 0.517 1
1 231 . 16 1 1 A 25 25 PRO CA C 25 61.743 62.784 -1.041 1
1 232 . 16 1 1 A 25 25 PRO CB C 25 31.751 32.489 -0.738 1
1 235 . 16 1 1 A 26 26 ALA H H 26 8.688 8.245 0.443 1
1 236 . 16 1 1 A 26 26 ALA HA H 26 4.396 4.867 -0.471 1
1 240 . 16 1 1 A 26 26 ALA CA C 26 49.972 50.863 -0.891 1
1 241 . 16 1 1 A 26 26 ALA CB C 26 22.877 22.237 0.640 1
1 242 . 16 1 1 A 26 26 ALA N N 26 123.024 122.238 0.786 1
1 243 . 16 1 1 A 27 27 VAL H H 27 7.751 8.729 -0.978 1
1 244 . 16 1 1 A 27 27 VAL HA H 27 4.522 5.117 -0.595 1
1 252 . 16 1 1 A 27 27 VAL CA C 27 60.899 59.100 1.799 1
1 253 . 16 1 1 A 27 27 VAL CB C 27 33.331 35.135 -1.804 1
1 255 . 16 1 1 A 27 27 VAL N N 27 121.938 122.180 -0.242 1
1 256 . 16 1 1 A 28 28 PHE H H 28 9.196 9.141 0.055 1
1 257 . 16 1 1 A 28 28 PHE HA H 28 4.561 4.984 -0.423 1
1 265 . 16 1 1 A 28 28 PHE CA C 28 56.051 56.321 -0.270 1
1 266 . 16 1 1 A 28 28 PHE CB C 28 42.218 41.629 0.589 1
1 271 . 16 1 1 A 28 28 PHE N N 28 126.818 125.931 0.887 1
1 272 . 16 1 1 A 29 29 GLU H H 29 8.583 8.949 -0.366 1
1 273 . 16 1 1 A 29 29 GLU HA H 29 5.405 4.828 0.577 1
1 278 . 16 1 1 A 29 29 GLU CA C 29 54.508 55.882 -1.374 1
1 279 . 16 1 1 A 29 29 GLU CB C 29 33.692 30.580 3.112 1
1 280 . 16 1 1 A 29 29 GLU N N 29 120.733 123.584 -2.851 1
1 281 . 16 1 1 A 30 30 ALA H H 30 9.484 9.562 -0.078 1
1 282 . 16 1 1 A 30 30 ALA HA H 30 4.691 5.372 -0.681 1
1 286 . 16 1 1 A 30 30 ALA CA C 30 49.421 50.925 -1.504 1
1 287 . 16 1 1 A 30 30 ALA CB C 30 23.523 21.960 1.563 1
1 288 . 16 1 1 A 30 30 ALA N N 30 124.341 127.152 -2.811 1
1 289 . 16 1 1 A 31 31 GLU H H 31 9.001 9.451 -0.450 1
1 290 . 16 1 1 A 31 31 GLU HA H 31 6.016 5.172 0.844 1
1 295 . 16 1 1 A 31 31 GLU CA C 31 54.301 55.255 -0.954 1
1 296 . 16 1 1 A 31 31 GLU CB C 31 33.336 32.034 1.302 1
1 298 . 16 1 1 A 31 31 GLU N N 31 120.169 124.088 -3.919 1
1 299 . 16 1 1 A 32 32 THR H H 32 9.330 8.890 0.440 1
1 300 . 16 1 1 A 32 32 THR HA H 32 4.842 4.403 0.439 1
1 305 . 16 1 1 A 32 32 THR CA C 32 59.738 59.892 -0.154 1
1 306 . 16 1 1 A 32 32 THR CB C 32 69.791 71.273 -1.482 1
1 308 . 16 1 1 A 32 32 THR N N 32 115.538 116.292 -0.754 1
1 309 . 16 1 1 A 33 33 GLU H H 33 7.950 8.824 -0.874 1
1 310 . 16 1 1 A 33 33 GLU HA H 33 3.944 4.498 -0.554 1
1 315 . 16 1 1 A 33 33 GLU CA C 33 58.563 57.269 1.294 1
1 316 . 16 1 1 A 33 33 GLU CB C 33 29.836 30.197 -0.361 1
1 318 . 16 1 1 A 33 33 GLU N N 33 119.723 121.734 -2.011 1
1 319 . 16 1 1 A 34 34 ARG H H 34 7.791 7.473 0.318 1
1 320 . 16 1 1 A 34 34 ARG HA H 34 4.490 4.918 -0.428 1
1 327 . 16 1 1 A 34 34 ARG CA C 34 53.485 54.523 -1.038 1
1 328 . 16 1 1 A 34 34 ARG CB C 34 32.411 33.674 -1.263 1
1 331 . 16 1 1 A 34 34 ARG N N 34 113.251 120.278 -7.027 1
1 332 . 16 1 1 A 35 35 ALA H H 35 8.614 8.557 0.057 1
1 333 . 16 1 1 A 35 35 ALA HA H 35 4.050 4.385 -0.335 1
1 337 . 16 1 1 A 35 35 ALA CA C 35 51.762 52.683 -0.921 1
1 338 . 16 1 1 A 35 35 ALA N N 35 125.041 127.430 -2.389 1
1 339 . 16 1 1 A 36 36 GLY H H 36 8.647 8.827 -0.180 1
1 340 . 16 1 1 A 36 36 GLY HA2 H 36 3.634 3.856 -0.222 1
1 341 . 16 1 1 A 36 36 GLY HA3 H 36 3.960 3.871 0.089 1
1 342 . 16 1 1 A 36 36 GLY CA C 36 45.703 46.202 -0.499 1
1 343 . 16 1 1 A 36 36 GLY N N 36 108.031 109.396 -1.365 1
1 344 . 16 1 1 A 37 37 VAL H H 37 7.077 7.959 -0.882 1
1 345 . 16 1 1 A 37 37 VAL HA H 37 3.869 4.310 -0.441 1
1 353 . 16 1 1 A 37 37 VAL CA C 37 61.469 61.862 -0.393 1
1 354 . 16 1 1 A 37 37 VAL CB C 37 32.942 32.362 0.580 1
1 357 . 16 1 1 A 37 37 VAL N N 37 119.457 121.073 -1.616 1
1 358 . 16 1 1 A 38 38 LYS H H 38 8.467 8.546 -0.079 1
1 359 . 16 1 1 A 38 38 LYS HA H 38 4.267 4.859 -0.592 1
1 366 . 16 1 1 A 38 38 LYS CA C 38 55.873 55.384 0.489 1
1 367 . 16 1 1 A 38 38 LYS CB C 38 30.881 33.654 -2.773 1
1 370 . 16 1 1 A 38 38 LYS N N 38 128.214 125.252 2.962 1
1 371 . 16 1 1 A 39 39 VAL H H 39 7.993 8.688 -0.695 1
1 372 . 16 1 1 A 39 39 VAL HA H 39 4.537 4.329 0.208 1
1 380 . 16 1 1 A 39 39 VAL CA C 39 60.114 61.532 -1.418 1
1 381 . 16 1 1 A 39 39 VAL CB C 39 33.719 31.849 1.870 1
1 384 . 16 1 1 A 39 39 VAL N N 39 123.133 125.846 -2.713 1
1 385 . 16 1 1 A 40 40 ARG H H 40 8.507 8.461 0.046 1
1 386 . 16 1 1 A 40 40 ARG HA H 40 4.503 4.910 -0.407 1
1 393 . 16 1 1 A 40 40 ARG CA C 40 54.098 55.552 -1.454 1
1 394 . 16 1 1 A 40 40 ARG CB C 40 33.701 31.532 2.169 1
1 397 . 16 1 1 A 40 40 ARG N N 40 124.492 125.629 -1.137 1
1 398 . 16 1 1 A 41 41 TRP H H 41 9.083 8.998 0.085 1
1 399 . 16 1 1 A 41 41 TRP HA H 41 5.311 5.374 -0.063 1
1 408 . 16 1 1 A 41 41 TRP CA C 41 55.134 56.193 -1.059 1
1 409 . 16 1 1 A 41 41 TRP CB C 41 31.370 32.252 -0.882 1
1 413 . 16 1 1 A 41 41 TRP N N 41 123.367 122.105 1.262 1
1 415 . 16 1 1 A 42 42 GLN H H 42 9.532 9.098 0.434 1
1 416 . 16 1 1 A 42 42 GLN HA H 42 5.159 4.750 0.409 1
1 423 . 16 1 1 A 42 42 GLN CA C 42 54.445 54.828 -0.383 1
1 424 . 16 1 1 A 42 42 GLN CB C 42 34.775 32.547 2.228 1
1 426 . 16 1 1 A 42 42 GLN N N 42 118.692 121.493 -2.801 1
1 427 . 16 1 1 A 43 43 ARG H H 43 8.209 8.963 -0.754 1
1 428 . 16 1 1 A 43 43 ARG HA H 43 4.039 4.150 -0.111 1
1 435 . 16 1 1 A 43 43 ARG CA C 43 54.790 54.683 0.107 1
1 436 . 16 1 1 A 43 43 ARG CB C 43 32.202 31.154 1.048 1
1 439 . 16 1 1 A 43 43 ARG N N 43 119.579 127.169 -7.590 1
1 440 . 16 1 1 A 46 46 SER H H 46 7.513 7.655 -0.142 1
1 441 . 16 1 1 A 46 46 SER HA H 46 4.674 4.738 -0.064 1
1 444 . 16 1 1 A 46 46 SER CA C 46 56.766 56.756 0.010 1
1 445 . 16 1 1 A 46 46 SER CB C 46 64.815 64.398 0.417 1
1 446 . 16 1 1 A 46 46 SER N N 46 114.927 116.591 -1.664 1
1 447 . 16 1 1 A 47 47 ASP H H 47 8.698 8.687 0.011 1
1 448 . 16 1 1 A 47 47 ASP HA H 47 4.830 4.565 0.265 1
1 451 . 16 1 1 A 47 47 ASP CA C 47 55.177 54.248 0.929 1
1 452 . 16 1 1 A 47 47 ASP CB C 47 40.385 41.240 -0.855 1
1 453 . 16 1 1 A 47 47 ASP N N 47 125.553 126.598 -1.045 1
1 454 . 16 1 1 A 48 48 ILE H H 48 8.781 8.617 0.164 1
1 455 . 16 1 1 A 48 48 ILE HA H 48 3.879 4.788 -0.909 1
1 465 . 16 1 1 A 48 48 ILE CA C 48 61.218 59.565 1.653 1
1 466 . 16 1 1 A 48 48 ILE CB C 48 39.345 40.611 -1.266 1
1 470 . 16 1 1 A 48 48 ILE N N 48 124.032 122.351 1.681 1
1 471 . 16 1 1 A 49 49 SER H H 49 7.963 8.492 -0.529 1
1 472 . 16 1 1 A 49 49 SER HA H 49 4.681 4.856 -0.175 1
1 475 . 16 1 1 A 49 49 SER CA C 49 56.256 57.743 -1.487 1
1 476 . 16 1 1 A 49 49 SER CB C 49 65.243 66.613 -1.370 1
1 477 . 16 1 1 A 49 49 SER N N 49 121.077 118.298 2.779 1
1 478 . 16 1 1 A 50 50 ALA H H 50 8.516 8.405 0.111 1
1 479 . 16 1 1 A 50 50 ALA HA H 50 4.302 4.523 -0.221 1
1 483 . 16 1 1 A 50 50 ALA CA C 50 53.052 52.175 0.877 1
1 484 . 16 1 1 A 50 50 ALA CB C 50 18.821 18.100 0.721 1
1 485 . 16 1 1 A 50 50 ALA N N 50 123.977 126.470 -2.493 1
1 486 . 16 1 1 A 51 51 SER H H 51 9.564 8.248 1.316 1
1 487 . 16 1 1 A 51 51 SER HA H 51 4.797 4.856 -0.059 1
1 490 . 16 1 1 A 51 51 SER CA C 51 56.946 57.416 -0.470 1
1 491 . 16 1 1 A 51 51 SER CB C 51 65.759 65.913 -0.154 1
1 492 . 16 1 1 A 51 51 SER N N 51 117.545 117.380 0.165 1
1 494 . 16 1 1 A 52 52 ASN CA C 52 55.930 54.442 1.488 1
1 495 . 16 1 1 A 52 52 ASN CB C 52 37.045 38.399 -1.354 1
1 496 . 16 1 1 A 53 53 LYS H H 53 8.053 8.854 -0.801 1
1 497 . 16 1 1 A 53 53 LYS HA H 53 3.995 4.023 -0.028 1
1 506 . 16 1 1 A 53 53 LYS CA C 53 53.699 57.776 -4.077 1
1 507 . 16 1 1 A 53 53 LYS CB C 53 33.687 32.059 1.628 1
1 511 . 16 1 1 A 53 53 LYS N N 53 121.638 124.607 -2.969 1
1 512 . 16 1 1 A 54 54 TYR H H 54 6.779 7.819 -1.040 1
1 513 . 16 1 1 A 54 54 TYR HA H 54 5.484 5.256 0.228 1
1 520 . 16 1 1 A 54 54 TYR CA C 54 55.016 56.565 -1.549 1
1 521 . 16 1 1 A 54 54 TYR CB C 54 40.147 43.504 -3.357 1
1 526 . 16 1 1 A 54 54 TYR N N 54 114.754 119.310 -4.556 1
1 527 . 16 1 1 A 55 55 GLY H H 55 9.666 8.232 1.434 1
1 528 . 16 1 1 A 55 55 GLY HA2 H 55 4.653 4.243 0.410 1
1 529 . 16 1 1 A 55 55 GLY HA3 H 55 3.343 4.257 -0.914 1
1 530 . 16 1 1 A 55 55 GLY CA C 55 44.332 45.442 -1.110 1
1 531 . 16 1 1 A 55 55 GLY N N 55 110.691 108.483 2.208 1
1 532 . 16 1 1 A 56 56 LEU H H 56 8.542 8.982 -0.440 1
1 533 . 16 1 1 A 56 56 LEU HA H 56 5.138 4.849 0.289 1
1 543 . 16 1 1 A 56 56 LEU CA C 56 54.213 53.743 0.470 1
1 544 . 16 1 1 A 56 56 LEU CB C 56 45.206 43.347 1.859 1
1 548 . 16 1 1 A 56 56 LEU N N 56 125.972 127.117 -1.145 1
1 549 . 16 1 1 A 57 57 ALA H H 57 8.594 8.904 -0.310 1
1 550 . 16 1 1 A 57 57 ALA HA H 57 4.790 4.953 -0.163 1
1 554 . 16 1 1 A 57 57 ALA CA C 57 51.318 50.552 0.766 1
1 555 . 16 1 1 A 57 57 ALA CB C 57 22.564 20.331 2.233 1
1 556 . 16 1 1 A 57 57 ALA N N 57 124.534 126.193 -1.659 1
1 557 . 16 1 1 A 58 58 THR H H 58 8.602 9.020 -0.418 1
1 558 . 16 1 1 A 58 58 THR HA H 58 4.862 4.872 -0.010 1
1 563 . 16 1 1 A 58 58 THR CA C 58 62.034 60.203 1.831 1
1 564 . 16 1 1 A 58 58 THR CB C 58 72.197 71.695 0.502 1
1 566 . 16 1 1 A 58 58 THR N N 58 119.396 119.063 0.333 1
1 567 . 16 1 1 A 59 59 GLU H H 59 8.883 8.601 0.282 1
1 568 . 16 1 1 A 59 59 GLU HA H 59 4.378 4.521 -0.143 1
1 573 . 16 1 1 A 59 59 GLU CA C 59 54.955 55.055 -0.100 1
1 574 . 16 1 1 A 59 59 GLU CB C 59 31.121 30.468 0.653 1
1 576 . 16 1 1 A 59 59 GLU N N 59 128.594 127.752 0.842 1
1 577 . 16 1 1 A 60 60 GLY H H 60 9.045 8.904 0.141 1
1 578 . 16 1 1 A 60 60 GLY HA2 H 60 4.081 3.859 0.222 1
1 579 . 16 1 1 A 60 60 GLY HA3 H 60 3.529 3.861 -0.332 1
1 580 . 16 1 1 A 60 60 GLY CA C 60 47.127 47.220 -0.093 1
1 581 . 16 1 1 A 60 60 GLY N N 60 117.047 115.819 1.228 1
1 582 . 16 1 1 A 61 61 THR H H 61 8.332 8.487 -0.155 1
1 583 . 16 1 1 A 61 61 THR HA H 61 4.129 4.501 -0.372 1
1 588 . 16 1 1 A 61 61 THR CA C 61 61.659 61.773 -0.114 1
1 589 . 16 1 1 A 61 61 THR CB C 61 68.477 68.938 -0.461 1
1 591 . 16 1 1 A 61 61 THR N N 61 118.086 119.409 -1.323 1
1 592 . 16 1 1 A 62 62 ARG H H 62 7.906 7.456 0.450 1
1 593 . 16 1 1 A 62 62 ARG HA H 62 4.754 5.033 -0.279 1
1 600 . 16 1 1 A 62 62 ARG CA C 62 56.040 54.838 1.202 1
1 601 . 16 1 1 A 62 62 ARG CB C 62 31.775 32.356 -0.581 1
1 604 . 16 1 1 A 62 62 ARG N N 62 121.911 121.613 0.298 1
1 605 . 16 1 1 A 63 63 HIS H H 63 9.212 9.534 -0.322 1
1 606 . 16 1 1 A 63 63 HIS HA H 63 5.364 5.429 -0.065 1
1 611 . 16 1 1 A 63 63 HIS CA C 63 55.066 54.842 0.224 1
1 612 . 16 1 1 A 63 63 HIS CB C 63 33.860 33.231 0.629 1
1 614 . 16 1 1 A 63 63 HIS N N 63 127.111 121.236 5.875 1
1 615 . 16 1 1 A 64 64 THR H H 64 9.261 9.516 -0.255 1
1 616 . 16 1 1 A 64 64 THR HA H 64 5.510 5.310 0.200 1
1 621 . 16 1 1 A 64 64 THR CA C 64 60.691 61.936 -1.245 1
1 622 . 16 1 1 A 64 64 THR CB C 64 71.788 70.369 1.419 1
1 624 . 16 1 1 A 64 64 THR N N 64 117.400 118.734 -1.334 1
1 625 . 16 1 1 A 65 65 LEU H H 65 8.456 8.832 -0.376 1
1 626 . 16 1 1 A 65 65 LEU HA H 65 4.642 4.518 0.124 1
1 636 . 16 1 1 A 65 65 LEU CA C 65 52.783 53.253 -0.470 1
1 637 . 16 1 1 A 65 65 LEU CB C 65 41.350 42.622 -1.272 1
1 641 . 16 1 1 A 65 65 LEU N N 65 129.806 130.000 -0.194 1
1 642 . 16 1 1 A 66 66 THR H H 66 9.381 9.055 0.326 1
1 643 . 16 1 1 A 66 66 THR HA H 66 4.975 4.735 0.240 1
1 648 . 16 1 1 A 66 66 THR CA C 66 61.072 62.167 -1.095 1
1 649 . 16 1 1 A 66 66 THR CB C 66 70.346 69.829 0.517 1
1 651 . 16 1 1 A 66 66 THR N N 66 123.110 124.223 -1.113 1
1 652 . 16 1 1 A 67 67 VAL H H 67 9.493 9.269 0.224 1
1 653 . 16 1 1 A 67 67 VAL HA H 67 4.317 4.518 -0.201 1
1 661 . 16 1 1 A 67 67 VAL CA C 67 61.300 61.549 -0.249 1
1 662 . 16 1 1 A 67 67 VAL CB C 67 31.636 34.214 -2.578 1
1 665 . 16 1 1 A 67 67 VAL N N 67 128.451 126.624 1.827 1
1 666 . 16 1 1 A 68 68 ARG H H 68 8.500 8.609 -0.109 1
1 667 . 16 1 1 A 68 68 ARG HA H 68 3.839 4.325 -0.486 1
1 674 . 16 1 1 A 68 68 ARG CA C 68 57.379 56.736 0.643 1
1 675 . 16 1 1 A 68 68 ARG CB C 68 30.481 30.565 -0.084 1
1 678 . 16 1 1 A 68 68 ARG N N 68 124.308 126.986 -2.678 1
1 679 . 16 1 1 A 69 69 GLU H H 69 8.545 7.795 0.750 1
1 680 . 16 1 1 A 69 69 GLU HA H 69 3.147 4.309 -1.162 1
1 685 . 16 1 1 A 69 69 GLU CA C 69 55.733 57.613 -1.880 1
1 686 . 16 1 1 A 69 69 GLU CB C 69 28.793 29.418 -0.625 1
1 688 . 16 1 1 A 69 69 GLU N N 69 118.177 118.174 0.003 1
1 689 . 16 1 1 A 70 70 VAL H H 70 7.771 7.353 0.418 1
1 690 . 16 1 1 A 70 70 VAL HA H 70 3.810 4.265 -0.455 1
1 698 . 16 1 1 A 70 70 VAL CA C 70 63.848 62.619 1.229 1
1 699 . 16 1 1 A 70 70 VAL CB C 70 31.885 32.388 -0.503 1
1 702 . 16 1 1 A 70 70 VAL N N 70 117.579 121.015 -3.436 1
1 703 . 16 1 1 A 71 71 GLY H H 71 9.389 8.472 0.917 1
1 704 . 16 1 1 A 71 71 GLY HA2 H 71 4.470 4.225 0.245 1
1 705 . 16 1 1 A 71 71 GLY HA3 H 71 3.895 4.227 -0.332 1
1 706 . 16 1 1 A 71 71 GLY CA C 71 43.915 44.871 -0.956 1
1 707 . 16 1 1 A 71 71 GLY N N 71 114.169 114.802 -0.633 1
1 708 . 16 1 1 A 72 72 PRO HA H 72 4.038 4.415 -0.377 1
1 715 . 16 1 1 A 72 72 PRO CA C 72 65.800 64.626 1.174 1
1 716 . 16 1 1 A 72 72 PRO CB C 72 31.553 31.787 -0.234 1
1 719 . 16 1 1 A 73 73 ALA H H 73 8.558 8.375 0.183 1
1 720 . 16 1 1 A 73 73 ALA HA H 73 4.186 4.310 -0.124 1
1 724 . 16 1 1 A 73 73 ALA CA C 73 53.826 53.525 0.301 1
1 725 . 16 1 1 A 73 73 ALA CB C 73 18.152 19.177 -1.025 1
1 726 . 16 1 1 A 73 73 ALA N N 73 118.164 119.918 -1.754 1
1 727 . 16 1 1 A 74 74 ASP H H 74 8.381 7.772 0.609 1
1 728 . 16 1 1 A 74 74 ASP HA H 74 4.586 4.638 -0.052 1
1 731 . 16 1 1 A 74 74 ASP CA C 74 55.178 55.379 -0.201 1
1 732 . 16 1 1 A 74 74 ASP CB C 74 42.280 40.886 1.394 1
1 733 . 16 1 1 A 74 74 ASP N N 74 113.856 117.009 -3.153 1
1 734 . 16 1 1 A 75 75 GLN H H 75 7.409 7.753 -0.344 1
1 735 . 16 1 1 A 75 75 GLN HA H 75 4.252 4.625 -0.373 1
1 740 . 16 1 1 A 75 75 GLN CA C 75 56.682 54.932 1.750 1
1 741 . 16 1 1 A 75 75 GLN CB C 75 30.337 27.076 3.261 1
1 743 . 16 1 1 A 75 75 GLN N N 75 119.456 120.169 -0.713 1
1 744 . 16 1 1 A 76 76 GLY H H 76 8.984 8.340 0.644 1
1 745 . 16 1 1 A 76 76 GLY HA2 H 76 4.610 4.043 0.567 1
1 746 . 16 1 1 A 76 76 GLY HA3 H 76 3.863 4.064 -0.201 1
1 747 . 16 1 1 A 76 76 GLY CA C 76 44.149 44.512 -0.363 1
1 748 . 16 1 1 A 76 76 GLY N N 76 112.000 111.935 0.065 1
1 749 . 16 1 1 A 77 77 SER H H 77 8.106 8.718 -0.612 1
1 750 . 16 1 1 A 77 77 SER HA H 77 5.009 5.425 -0.416 1
1 753 . 16 1 1 A 77 77 SER CA C 77 58.199 56.539 1.660 1
1 754 . 16 1 1 A 77 77 SER CB C 77 64.099 65.702 -1.603 1
1 755 . 16 1 1 A 77 77 SER N N 77 114.587 116.480 -1.893 1
1 756 . 16 1 1 A 78 78 TYR H H 78 9.056 8.876 0.180 1
1 757 . 16 1 1 A 78 78 TYR HA H 78 4.530 4.821 -0.291 1
1 764 . 16 1 1 A 78 78 TYR CA C 78 56.450 56.402 0.048 1
1 765 . 16 1 1 A 78 78 TYR CB C 78 43.805 39.415 4.390 1
1 770 . 16 1 1 A 78 78 TYR N N 78 127.751 123.674 4.077 1
1 771 . 16 1 1 A 79 79 ALA H H 79 8.558 8.761 -0.203 1
1 772 . 16 1 1 A 79 79 ALA HA H 79 5.233 5.268 -0.035 1
1 776 . 16 1 1 A 79 79 ALA CA C 79 50.806 50.059 0.747 1
1 777 . 16 1 1 A 79 79 ALA CB C 79 23.130 22.653 0.477 1
1 778 . 16 1 1 A 79 79 ALA N N 79 118.647 123.825 -5.178 1
1 779 . 16 1 1 A 80 80 VAL H H 80 8.717 8.767 -0.050 1
1 780 . 16 1 1 A 80 80 VAL HA H 80 4.905 4.539 0.366 1
1 788 . 16 1 1 A 80 80 VAL CA C 80 58.760 60.133 -1.373 1
1 789 . 16 1 1 A 80 80 VAL CB C 80 35.087 34.699 0.388 1
1 792 . 16 1 1 A 80 80 VAL N N 80 118.846 118.346 0.500 1
1 793 . 16 1 1 A 81 81 ILE H H 81 8.739 9.043 -0.304 1
1 794 . 16 1 1 A 81 81 ILE HA H 81 5.012 5.098 -0.086 1
1 804 . 16 1 1 A 81 81 ILE CA C 81 59.751 59.618 0.133 1
1 805 . 16 1 1 A 81 81 ILE CB C 81 42.030 40.609 1.421 1
1 809 . 16 1 1 A 81 81 ILE N N 81 126.232 129.825 -3.593 1
1 810 . 16 1 1 A 82 82 ALA H H 82 8.388 8.600 -0.212 1
1 811 . 16 1 1 A 82 82 ALA HA H 82 4.449 4.512 -0.063 1
1 815 . 16 1 1 A 82 82 ALA CA C 82 50.839 51.084 -0.245 1
1 816 . 16 1 1 A 82 82 ALA CB C 82 21.160 20.480 0.680 1
1 817 . 16 1 1 A 82 82 ALA N N 82 128.273 128.104 0.169 1
1 818 . 16 1 1 A 83 83 GLY H H 83 8.841 8.926 -0.085 1
1 819 . 16 1 1 A 83 83 GLY HA2 H 83 3.815 3.817 -0.002 1
1 820 . 16 1 1 A 83 83 GLY HA3 H 83 3.509 3.827 -0.318 1
1 821 . 16 1 1 A 83 83 GLY CA C 83 46.917 47.255 -0.338 1
1 822 . 16 1 1 A 83 83 GLY N N 83 113.065 115.249 -2.184 1
1 823 . 16 1 1 A 85 85 SER H H 85 8.423 7.339 1.084 1
1 824 . 16 1 1 A 85 85 SER HA H 85 4.659 4.516 0.143 1
1 827 . 16 1 1 A 85 85 SER CA C 85 58.485 58.013 0.472 1
1 828 . 16 1 1 A 85 85 SER CB C 85 64.397 64.168 0.229 1
1 829 . 16 1 1 A 85 85 SER N N 85 119.428 116.898 2.530 1
1 830 . 16 1 1 A 86 86 LYS H H 86 8.490 8.639 -0.149 1
1 831 . 16 1 1 A 86 86 LYS HA H 86 5.243 5.164 0.079 1
1 840 . 16 1 1 A 86 86 LYS CA C 86 54.822 54.642 0.180 1
1 841 . 16 1 1 A 86 86 LYS CB C 86 35.340 36.269 -0.929 1
1 845 . 16 1 1 A 86 86 LYS N N 86 125.678 125.932 -0.254 1
1 846 . 16 1 1 A 87 87 VAL H H 87 8.863 8.514 0.349 1
1 847 . 16 1 1 A 87 87 VAL HA H 87 4.300 4.612 -0.312 1
1 855 . 16 1 1 A 87 87 VAL CA C 87 60.870 60.110 0.760 1
1 856 . 16 1 1 A 87 87 VAL CB C 87 34.228 35.374 -1.146 1
1 859 . 16 1 1 A 87 87 VAL N N 87 126.631 126.063 0.568 1
1 860 . 16 1 1 A 88 88 LYS H H 88 8.475 8.842 -0.367 1
1 861 . 16 1 1 A 88 88 LYS HA H 88 5.065 4.928 0.137 1
1 870 . 16 1 1 A 88 88 LYS CA C 88 55.124 54.436 0.688 1
1 871 . 16 1 1 A 88 88 LYS CB C 88 34.479 36.234 -1.755 1
1 874 . 16 1 1 A 88 88 LYS N N 88 125.592 122.588 3.004 1
1 875 . 16 1 1 A 89 89 PHE H H 89 8.152 8.259 -0.107 1
1 876 . 16 1 1 A 89 89 PHE HA H 89 4.601 5.584 -0.983 1
1 884 . 16 1 1 A 89 89 PHE CA C 89 56.311 55.343 0.968 1
1 885 . 16 1 1 A 89 89 PHE CB C 89 39.383 42.349 -2.966 1
1 888 . 16 1 1 A 89 89 PHE N N 89 119.005 116.868 2.137 1
1 889 . 16 1 1 A 90 90 ASP H H 90 9.006 9.070 -0.064 1
1 890 . 16 1 1 A 90 90 ASP HA H 90 5.565 5.475 0.090 1
1 893 . 16 1 1 A 90 90 ASP CA C 90 53.532 53.593 -0.061 1
1 894 . 16 1 1 A 90 90 ASP CB C 90 45.151 43.298 1.853 1
1 895 . 16 1 1 A 90 90 ASP N N 90 118.742 120.089 -1.347 1
1 896 . 16 1 1 A 91 91 LEU H H 91 8.733 9.046 -0.313 1
1 897 . 16 1 1 A 91 91 LEU HA H 91 5.137 5.219 -0.082 1
1 907 . 16 1 1 A 91 91 LEU CA C 91 54.171 53.677 0.494 1
1 908 . 16 1 1 A 91 91 LEU CB C 91 45.625 44.815 0.810 1
1 911 . 16 1 1 A 91 91 LEU N N 91 121.344 125.771 -4.427 1
1 912 . 16 1 1 A 92 92 LYS H H 92 8.892 8.548 0.344 1
1 913 . 16 1 1 A 92 92 LYS HA H 92 4.733 4.782 -0.049 1
1 922 . 16 1 1 A 92 92 LYS CA C 92 54.910 55.969 -1.059 1
1 923 . 16 1 1 A 92 92 LYS CB C 92 35.261 33.185 2.076 1
1 927 . 16 1 1 A 92 92 LYS N N 92 128.486 127.199 1.287 1
1 928 . 16 1 1 A 93 93 VAL H H 93 8.563 8.518 0.045 1
1 929 . 16 1 1 A 93 93 VAL HA H 93 4.818 4.565 0.253 1
1 937 . 16 1 1 A 93 93 VAL CA C 93 60.568 62.377 -1.809 1
1 938 . 16 1 1 A 93 93 VAL CB C 93 33.024 32.159 0.865 1
1 941 . 16 1 1 A 93 93 VAL N N 93 124.459 125.454 -0.995 1
1 942 . 16 1 1 A 94 94 ILE H H 94 8.395 8.827 -0.432 1
1 943 . 16 1 1 A 94 94 ILE HA H 94 4.162 4.603 -0.441 1
1 953 . 16 1 1 A 94 94 ILE CA C 94 60.238 60.256 -0.018 1
1 954 . 16 1 1 A 94 94 ILE CB C 94 39.279 39.364 -0.085 1
1 958 . 16 1 1 A 94 94 ILE N N 94 126.433 128.539 -2.106 1
1 1 . 17 1 1 A 3 3 PRO HA H 3 4.235 4.680 -0.445 1
1 8 . 17 1 1 A 3 3 PRO CA C 3 63.375 62.935 0.440 1
1 9 . 17 1 1 A 3 3 PRO CB C 3 31.835 31.962 -0.127 1
1 11 . 17 1 1 A 4 4 GLY H H 4 8.439 8.638 -0.199 1
1 12 . 17 1 1 A 4 4 GLY HA2 H 4 3.854 3.870 -0.016 1
1 13 . 17 1 1 A 4 4 GLY HA3 H 4 3.819 3.870 -0.051 1
1 14 . 17 1 1 A 4 4 GLY CA C 4 45.043 46.675 -1.632 1
1 15 . 17 1 1 A 4 4 GLY N N 4 108.904 109.025 -0.121 1
1 16 . 17 1 1 A 5 5 LYS H H 5 7.974 7.564 0.410 1
1 17 . 17 1 1 A 5 5 LYS HA H 5 4.265 4.698 -0.433 1
1 26 . 17 1 1 A 5 5 LYS CA C 5 55.709 54.969 0.740 1
1 27 . 17 1 1 A 5 5 LYS CB C 5 33.081 33.873 -0.792 1
1 31 . 17 1 1 A 5 5 LYS N N 5 120.616 119.343 1.273 1
1 32 . 17 1 1 A 6 6 LYS H H 6 8.291 8.522 -0.231 1
1 33 . 17 1 1 A 6 6 LYS HA H 6 4.505 4.664 -0.159 1
1 36 . 17 1 1 A 6 6 LYS CA C 6 54.105 53.742 0.363 1
1 37 . 17 1 1 A 6 6 LYS CB C 6 32.381 32.007 0.374 1
1 38 . 17 1 1 A 6 6 LYS N N 6 124.267 121.421 2.846 1
1 39 . 17 1 1 A 7 7 PRO HA H 7 4.371 4.447 -0.076 1
1 46 . 17 1 1 A 7 7 PRO CA C 7 62.738 62.801 -0.063 1
1 47 . 17 1 1 A 7 7 PRO CB C 7 31.942 31.953 -0.011 1
1 50 . 17 1 1 A 8 8 VAL H H 8 8.244 8.282 -0.038 1
1 51 . 17 1 1 A 8 8 VAL HA H 8 4.012 3.944 0.068 1
1 59 . 17 1 1 A 8 8 VAL CA C 8 61.883 62.170 -0.287 1
1 60 . 17 1 1 A 8 8 VAL CB C 8 32.743 31.105 1.638 1
1 63 . 17 1 1 A 8 8 VAL N N 8 120.593 123.798 -3.205 1
1 64 . 17 1 1 A 9 9 SER H H 9 8.296 8.748 -0.452 1
1 65 . 17 1 1 A 9 9 SER HA H 9 4.315 4.554 -0.239 1
1 68 . 17 1 1 A 9 9 SER CA C 9 57.429 59.328 -1.899 1
1 69 . 17 1 1 A 9 9 SER CB C 9 63.804 63.765 0.039 1
1 70 . 17 1 1 A 9 9 SER N N 9 118.557 125.181 -6.624 1
1 71 . 17 1 1 A 10 10 ALA H H 10 8.214 8.715 -0.501 1
1 72 . 17 1 1 A 10 10 ALA HA H 10 4.069 4.657 -0.588 1
1 76 . 17 1 1 A 10 10 ALA CA C 10 53.042 51.326 1.716 1
1 77 . 17 1 1 A 10 10 ALA CB C 10 19.919 19.736 0.183 1
1 78 . 17 1 1 A 10 10 ALA N N 10 125.277 126.379 -1.102 1
1 79 . 17 1 1 A 11 11 PHE H H 11 8.238 7.845 0.393 1
1 80 . 17 1 1 A 11 11 PHE HA H 11 4.816 5.000 -0.184 1
1 88 . 17 1 1 A 11 11 PHE CA C 11 57.727 56.275 1.452 1
1 89 . 17 1 1 A 11 11 PHE CB C 11 39.854 39.686 0.168 1
1 94 . 17 1 1 A 11 11 PHE N N 11 114.771 118.066 -3.295 1
1 95 . 17 1 1 A 12 12 SER H H 12 8.809 8.847 -0.038 1
1 96 . 17 1 1 A 12 12 SER HA H 12 4.395 4.343 0.052 1
1 99 . 17 1 1 A 12 12 SER CA C 12 58.641 61.554 -2.913 1
1 100 . 17 1 1 A 12 12 SER CB C 12 63.274 63.076 0.198 1
1 101 . 17 1 1 A 12 12 SER N N 12 119.399 121.013 -1.614 1
1 102 . 17 1 1 A 13 13 LYS H H 13 7.884 7.886 -0.002 1
1 103 . 17 1 1 A 13 13 LYS HA H 13 4.575 4.949 -0.374 1
1 112 . 17 1 1 A 13 13 LYS CA C 13 56.362 54.849 1.513 1
1 113 . 17 1 1 A 13 13 LYS CB C 13 35.664 34.736 0.928 1
1 114 . 17 1 1 A 13 13 LYS N N 13 121.565 120.253 1.312 1
1 115 . 17 1 1 A 14 14 LYS H H 14 8.744 8.533 0.211 1
1 116 . 17 1 1 A 14 14 LYS HA H 14 4.313 4.476 -0.163 1
1 123 . 17 1 1 A 14 14 LYS CA C 14 53.374 54.336 -0.962 1
1 124 . 17 1 1 A 14 14 LYS CB C 14 32.741 33.073 -0.332 1
1 127 . 17 1 1 A 14 14 LYS N N 14 125.096 127.791 -2.695 1
1 128 . 17 1 1 A 15 15 PRO HA H 15 4.693 4.934 -0.241 1
1 135 . 17 1 1 A 15 15 PRO CA C 15 62.248 62.133 0.115 1
1 136 . 17 1 1 A 15 15 PRO CB C 15 31.343 28.997 2.346 1
1 139 . 17 1 1 A 16 16 ARG H H 16 8.118 7.945 0.173 1
1 140 . 17 1 1 A 16 16 ARG HA H 16 4.592 4.368 0.224 1
1 147 . 17 1 1 A 16 16 ARG CA C 16 53.951 56.948 -2.997 1
1 148 . 17 1 1 A 16 16 ARG CB C 16 32.456 31.092 1.364 1
1 151 . 17 1 1 A 16 16 ARG N N 16 119.622 124.679 -5.057 1
1 152 . 17 1 1 A 17 17 SER H H 17 8.511 8.549 -0.038 1
1 153 . 17 1 1 A 17 17 SER HA H 17 5.281 4.709 0.572 1
1 156 . 17 1 1 A 17 17 SER CA C 17 59.888 59.107 0.781 1
1 157 . 17 1 1 A 17 17 SER CB C 17 63.405 64.279 -0.874 1
1 158 . 17 1 1 A 17 17 SER N N 17 117.935 116.776 1.159 1
1 159 . 17 1 1 A 18 18 VAL H H 18 8.389 8.593 -0.204 1
1 160 . 17 1 1 A 18 18 VAL HA H 18 4.660 4.889 -0.229 1
1 168 . 17 1 1 A 18 18 VAL CA C 18 60.004 60.406 -0.402 1
1 169 . 17 1 1 A 18 18 VAL CB C 18 36.675 35.626 1.049 1
1 172 . 17 1 1 A 18 18 VAL N N 18 117.416 122.445 -5.029 1
1 173 . 17 1 1 A 19 19 GLU H H 19 8.190 8.807 -0.617 1
1 174 . 17 1 1 A 19 19 GLU HA H 19 5.351 5.575 -0.224 1
1 179 . 17 1 1 A 19 19 GLU CA C 19 54.138 54.864 -0.726 1
1 180 . 17 1 1 A 19 19 GLU CB C 19 31.658 31.971 -0.313 1
1 181 . 17 1 1 A 19 19 GLU N N 19 124.652 123.514 1.138 1
1 182 . 17 1 1 A 20 20 VAL H H 20 8.616 8.487 0.129 1
1 183 . 17 1 1 A 20 20 VAL HA H 20 4.491 4.749 -0.258 1
1 191 . 17 1 1 A 20 20 VAL CA C 20 59.013 59.506 -0.493 1
1 192 . 17 1 1 A 20 20 VAL CB C 20 36.048 35.838 0.210 1
1 195 . 17 1 1 A 20 20 VAL N N 20 120.245 119.710 0.535 1
1 196 . 17 1 1 A 21 21 ALA H H 21 8.375 8.620 -0.245 1
1 197 . 17 1 1 A 21 21 ALA HA H 21 4.364 4.722 -0.358 1
1 201 . 17 1 1 A 21 21 ALA CA C 21 51.307 51.824 -0.517 1
1 202 . 17 1 1 A 21 21 ALA CB C 21 18.726 19.175 -0.449 1
1 203 . 17 1 1 A 21 21 ALA N N 21 126.173 125.538 0.635 1
1 204 . 17 1 1 A 22 22 ALA H H 22 8.287 8.063 0.224 1
1 205 . 17 1 1 A 22 22 ALA HA H 22 3.899 3.991 -0.092 1
1 209 . 17 1 1 A 22 22 ALA CA C 22 53.104 53.981 -0.877 1
1 210 . 17 1 1 A 22 22 ALA CB C 22 17.631 18.492 -0.861 1
1 211 . 17 1 1 A 22 22 ALA N N 22 123.045 123.155 -0.110 1
1 212 . 17 1 1 A 23 23 GLY H H 23 9.862 8.826 1.036 1
1 213 . 17 1 1 A 23 23 GLY HA2 H 23 3.255 3.988 -0.733 1
1 214 . 17 1 1 A 23 23 GLY HA3 H 23 4.371 3.991 0.380 1
1 215 . 17 1 1 A 23 23 GLY CA C 23 44.741 45.026 -0.285 1
1 216 . 17 1 1 A 23 23 GLY N N 23 112.047 111.317 0.730 1
1 217 . 17 1 1 A 24 24 SER H H 24 7.944 7.872 0.072 1
1 218 . 17 1 1 A 24 24 SER HA H 24 4.750 4.570 0.180 1
1 221 . 17 1 1 A 24 24 SER CA C 24 57.787 56.073 1.714 1
1 222 . 17 1 1 A 24 24 SER CB C 24 63.296 63.859 -0.563 1
1 223 . 17 1 1 A 24 24 SER N N 24 119.405 118.117 1.288 1
1 224 . 17 1 1 A 25 25 PRO HA H 25 5.142 4.662 0.480 1
1 231 . 17 1 1 A 25 25 PRO CA C 25 61.743 62.694 -0.951 1
1 232 . 17 1 1 A 25 25 PRO CB C 25 31.751 32.135 -0.384 1
1 235 . 17 1 1 A 26 26 ALA H H 26 8.688 8.318 0.370 1
1 236 . 17 1 1 A 26 26 ALA HA H 26 4.396 4.878 -0.482 1
1 240 . 17 1 1 A 26 26 ALA CA C 26 49.972 50.781 -0.809 1
1 241 . 17 1 1 A 26 26 ALA CB C 26 22.877 22.006 0.871 1
1 242 . 17 1 1 A 26 26 ALA N N 26 123.024 123.848 -0.824 1
1 243 . 17 1 1 A 27 27 VAL H H 27 7.751 8.697 -0.946 1
1 244 . 17 1 1 A 27 27 VAL HA H 27 4.522 5.023 -0.501 1
1 252 . 17 1 1 A 27 27 VAL CA C 27 60.899 59.092 1.807 1
1 253 . 17 1 1 A 27 27 VAL CB C 27 33.331 35.217 -1.886 1
1 255 . 17 1 1 A 27 27 VAL N N 27 121.938 122.088 -0.150 1
1 256 . 17 1 1 A 28 28 PHE H H 28 9.196 9.052 0.144 1
1 257 . 17 1 1 A 28 28 PHE HA H 28 4.561 5.133 -0.572 1
1 265 . 17 1 1 A 28 28 PHE CA C 28 56.051 56.122 -0.071 1
1 266 . 17 1 1 A 28 28 PHE CB C 28 42.218 42.330 -0.112 1
1 271 . 17 1 1 A 28 28 PHE N N 28 126.818 126.014 0.804 1
1 272 . 17 1 1 A 29 29 GLU H H 29 8.583 9.121 -0.538 1
1 273 . 17 1 1 A 29 29 GLU HA H 29 5.405 5.006 0.399 1
1 278 . 17 1 1 A 29 29 GLU CA C 29 54.508 55.571 -1.063 1
1 279 . 17 1 1 A 29 29 GLU CB C 29 33.692 31.458 2.234 1
1 280 . 17 1 1 A 29 29 GLU N N 29 120.733 124.097 -3.364 1
1 281 . 17 1 1 A 30 30 ALA H H 30 9.484 9.474 0.010 1
1 282 . 17 1 1 A 30 30 ALA HA H 30 4.691 5.494 -0.803 1
1 286 . 17 1 1 A 30 30 ALA CA C 30 49.421 50.968 -1.547 1
1 287 . 17 1 1 A 30 30 ALA CB C 30 23.523 21.941 1.582 1
1 288 . 17 1 1 A 30 30 ALA N N 30 124.341 129.287 -4.946 1
1 289 . 17 1 1 A 31 31 GLU H H 31 9.001 9.290 -0.289 1
1 290 . 17 1 1 A 31 31 GLU HA H 31 6.016 5.114 0.902 1
1 295 . 17 1 1 A 31 31 GLU CA C 31 54.301 55.169 -0.868 1
1 296 . 17 1 1 A 31 31 GLU CB C 31 33.336 32.368 0.968 1
1 298 . 17 1 1 A 31 31 GLU N N 31 120.169 124.144 -3.975 1
1 299 . 17 1 1 A 32 32 THR H H 32 9.330 8.859 0.471 1
1 300 . 17 1 1 A 32 32 THR HA H 32 4.842 4.279 0.563 1
1 305 . 17 1 1 A 32 32 THR CA C 32 59.738 59.951 -0.213 1
1 306 . 17 1 1 A 32 32 THR CB C 32 69.791 71.109 -1.318 1
1 308 . 17 1 1 A 32 32 THR N N 32 115.538 116.753 -1.215 1
1 309 . 17 1 1 A 33 33 GLU H H 33 7.950 8.878 -0.928 1
1 310 . 17 1 1 A 33 33 GLU HA H 33 3.944 4.478 -0.534 1
1 315 . 17 1 1 A 33 33 GLU CA C 33 58.563 57.277 1.286 1
1 316 . 17 1 1 A 33 33 GLU CB C 33 29.836 30.199 -0.363 1
1 318 . 17 1 1 A 33 33 GLU N N 33 119.723 121.755 -2.032 1
1 319 . 17 1 1 A 34 34 ARG H H 34 7.791 7.478 0.313 1
1 320 . 17 1 1 A 34 34 ARG HA H 34 4.490 4.905 -0.415 1
1 327 . 17 1 1 A 34 34 ARG CA C 34 53.485 54.308 -0.823 1
1 328 . 17 1 1 A 34 34 ARG CB C 34 32.411 33.868 -1.457 1
1 331 . 17 1 1 A 34 34 ARG N N 34 113.251 120.344 -7.093 1
1 332 . 17 1 1 A 35 35 ALA H H 35 8.614 8.551 0.063 1
1 333 . 17 1 1 A 35 35 ALA HA H 35 4.050 4.382 -0.332 1
1 337 . 17 1 1 A 35 35 ALA CA C 35 51.762 52.576 -0.814 1
1 338 . 17 1 1 A 35 35 ALA N N 35 125.041 127.311 -2.270 1
1 339 . 17 1 1 A 36 36 GLY H H 36 8.647 8.853 -0.206 1
1 340 . 17 1 1 A 36 36 GLY HA2 H 36 3.634 3.850 -0.216 1
1 341 . 17 1 1 A 36 36 GLY HA3 H 36 3.960 3.861 0.099 1
1 342 . 17 1 1 A 36 36 GLY CA C 36 45.703 46.274 -0.571 1
1 343 . 17 1 1 A 36 36 GLY N N 36 108.031 109.466 -1.435 1
1 344 . 17 1 1 A 37 37 VAL H H 37 7.077 7.862 -0.785 1
1 345 . 17 1 1 A 37 37 VAL HA H 37 3.869 4.374 -0.505 1
1 353 . 17 1 1 A 37 37 VAL CA C 37 61.469 61.565 -0.096 1
1 354 . 17 1 1 A 37 37 VAL CB C 37 32.942 32.910 0.032 1
1 357 . 17 1 1 A 37 37 VAL N N 37 119.457 121.178 -1.721 1
1 358 . 17 1 1 A 38 38 LYS H H 38 8.467 8.640 -0.173 1
1 359 . 17 1 1 A 38 38 LYS HA H 38 4.267 4.875 -0.608 1
1 366 . 17 1 1 A 38 38 LYS CA C 38 55.873 55.660 0.213 1
1 367 . 17 1 1 A 38 38 LYS CB C 38 30.881 33.508 -2.627 1
1 370 . 17 1 1 A 38 38 LYS N N 38 128.214 127.117 1.097 1
1 371 . 17 1 1 A 39 39 VAL H H 39 7.993 8.963 -0.970 1
1 372 . 17 1 1 A 39 39 VAL HA H 39 4.537 4.436 0.101 1
1 380 . 17 1 1 A 39 39 VAL CA C 39 60.114 61.284 -1.170 1
1 381 . 17 1 1 A 39 39 VAL CB C 39 33.719 31.694 2.025 1
1 384 . 17 1 1 A 39 39 VAL N N 39 123.133 125.455 -2.322 1
1 385 . 17 1 1 A 40 40 ARG H H 40 8.507 8.436 0.071 1
1 386 . 17 1 1 A 40 40 ARG HA H 40 4.503 4.792 -0.289 1
1 393 . 17 1 1 A 40 40 ARG CA C 40 54.098 55.823 -1.725 1
1 394 . 17 1 1 A 40 40 ARG CB C 40 33.701 30.793 2.908 1
1 397 . 17 1 1 A 40 40 ARG N N 40 124.492 126.224 -1.732 1
1 398 . 17 1 1 A 41 41 TRP H H 41 9.083 8.992 0.091 1
1 399 . 17 1 1 A 41 41 TRP HA H 41 5.311 5.461 -0.150 1
1 408 . 17 1 1 A 41 41 TRP CA C 41 55.134 56.017 -0.883 1
1 409 . 17 1 1 A 41 41 TRP CB C 41 31.370 32.758 -1.388 1
1 413 . 17 1 1 A 41 41 TRP N N 41 123.367 121.922 1.445 1
1 415 . 17 1 1 A 42 42 GLN H H 42 9.532 8.948 0.584 1
1 416 . 17 1 1 A 42 42 GLN HA H 42 5.159 4.741 0.418 1
1 423 . 17 1 1 A 42 42 GLN CA C 42 54.445 54.887 -0.442 1
1 424 . 17 1 1 A 42 42 GLN CB C 42 34.775 33.142 1.633 1
1 426 . 17 1 1 A 42 42 GLN N N 42 118.692 121.210 -2.518 1
1 427 . 17 1 1 A 43 43 ARG H H 43 8.209 8.598 -0.389 1
1 428 . 17 1 1 A 43 43 ARG HA H 43 4.039 4.179 -0.140 1
1 435 . 17 1 1 A 43 43 ARG CA C 43 54.790 54.733 0.057 1
1 436 . 17 1 1 A 43 43 ARG CB C 43 32.202 31.601 0.601 1
1 439 . 17 1 1 A 43 43 ARG N N 43 119.579 126.738 -7.159 1
1 440 . 17 1 1 A 46 46 SER H H 46 7.513 7.687 -0.174 1
1 441 . 17 1 1 A 46 46 SER HA H 46 4.674 4.709 -0.035 1
1 444 . 17 1 1 A 46 46 SER CA C 46 56.766 56.758 0.008 1
1 445 . 17 1 1 A 46 46 SER CB C 46 64.815 64.377 0.438 1
1 446 . 17 1 1 A 46 46 SER N N 46 114.927 116.376 -1.449 1
1 447 . 17 1 1 A 47 47 ASP H H 47 8.698 8.726 -0.028 1
1 448 . 17 1 1 A 47 47 ASP HA H 47 4.830 4.571 0.259 1
1 451 . 17 1 1 A 47 47 ASP CA C 47 55.177 54.815 0.362 1
1 452 . 17 1 1 A 47 47 ASP CB C 47 40.385 41.533 -1.148 1
1 453 . 17 1 1 A 47 47 ASP N N 47 125.553 128.553 -3.000 1
1 454 . 17 1 1 A 48 48 ILE H H 48 8.781 8.633 0.148 1
1 455 . 17 1 1 A 48 48 ILE HA H 48 3.879 4.736 -0.857 1
1 465 . 17 1 1 A 48 48 ILE CA C 48 61.218 59.651 1.567 1
1 466 . 17 1 1 A 48 48 ILE CB C 48 39.345 40.310 -0.965 1
1 470 . 17 1 1 A 48 48 ILE N N 48 124.032 121.215 2.817 1
1 471 . 17 1 1 A 49 49 SER H H 49 7.963 8.572 -0.609 1
1 472 . 17 1 1 A 49 49 SER HA H 49 4.681 4.869 -0.188 1
1 475 . 17 1 1 A 49 49 SER CA C 49 56.256 57.599 -1.343 1
1 476 . 17 1 1 A 49 49 SER CB C 49 65.243 67.146 -1.903 1
1 477 . 17 1 1 A 49 49 SER N N 49 121.077 119.059 2.018 1
1 478 . 17 1 1 A 50 50 ALA H H 50 8.516 8.423 0.093 1
1 479 . 17 1 1 A 50 50 ALA HA H 50 4.302 4.586 -0.284 1
1 483 . 17 1 1 A 50 50 ALA CA C 50 53.052 52.178 0.874 1
1 484 . 17 1 1 A 50 50 ALA CB C 50 18.821 18.182 0.639 1
1 485 . 17 1 1 A 50 50 ALA N N 50 123.977 125.795 -1.818 1
1 486 . 17 1 1 A 51 51 SER H H 51 9.564 8.223 1.341 1
1 487 . 17 1 1 A 51 51 SER HA H 51 4.797 4.888 -0.091 1
1 490 . 17 1 1 A 51 51 SER CA C 51 56.946 57.392 -0.446 1
1 491 . 17 1 1 A 51 51 SER CB C 51 65.759 66.030 -0.271 1
1 492 . 17 1 1 A 51 51 SER N N 51 117.545 117.366 0.179 1
1 494 . 17 1 1 A 52 52 ASN CA C 52 55.930 54.260 1.670 1
1 495 . 17 1 1 A 52 52 ASN CB C 52 37.045 38.509 -1.464 1
1 496 . 17 1 1 A 53 53 LYS H H 53 8.053 8.760 -0.707 1
1 497 . 17 1 1 A 53 53 LYS HA H 53 3.995 4.075 -0.080 1
1 506 . 17 1 1 A 53 53 LYS CA C 53 53.699 57.693 -3.994 1
1 507 . 17 1 1 A 53 53 LYS CB C 53 33.687 32.056 1.631 1
1 511 . 17 1 1 A 53 53 LYS N N 53 121.638 123.491 -1.853 1
1 512 . 17 1 1 A 54 54 TYR H H 54 6.779 7.832 -1.053 1
1 513 . 17 1 1 A 54 54 TYR HA H 54 5.484 5.285 0.199 1
1 520 . 17 1 1 A 54 54 TYR CA C 54 55.016 56.594 -1.578 1
1 521 . 17 1 1 A 54 54 TYR CB C 54 40.147 43.495 -3.348 1
1 526 . 17 1 1 A 54 54 TYR N N 54 114.754 119.344 -4.590 1
1 527 . 17 1 1 A 55 55 GLY H H 55 9.666 8.219 1.447 1
1 528 . 17 1 1 A 55 55 GLY HA2 H 55 4.653 4.254 0.399 1
1 529 . 17 1 1 A 55 55 GLY HA3 H 55 3.343 4.266 -0.923 1
1 530 . 17 1 1 A 55 55 GLY CA C 55 44.332 45.329 -0.997 1
1 531 . 17 1 1 A 55 55 GLY N N 55 110.691 108.485 2.206 1
1 532 . 17 1 1 A 56 56 LEU H H 56 8.542 8.985 -0.443 1
1 533 . 17 1 1 A 56 56 LEU HA H 56 5.138 4.928 0.210 1
1 543 . 17 1 1 A 56 56 LEU CA C 56 54.213 53.765 0.448 1
1 544 . 17 1 1 A 56 56 LEU CB C 56 45.206 43.242 1.964 1
1 548 . 17 1 1 A 56 56 LEU N N 56 125.972 127.125 -1.153 1
1 549 . 17 1 1 A 57 57 ALA H H 57 8.594 8.817 -0.223 1
1 550 . 17 1 1 A 57 57 ALA HA H 57 4.790 4.962 -0.172 1
1 554 . 17 1 1 A 57 57 ALA CA C 57 51.318 50.924 0.394 1
1 555 . 17 1 1 A 57 57 ALA CB C 57 22.564 20.420 2.144 1
1 556 . 17 1 1 A 57 57 ALA N N 57 124.534 125.734 -1.200 1
1 557 . 17 1 1 A 58 58 THR H H 58 8.602 9.081 -0.479 1
1 558 . 17 1 1 A 58 58 THR HA H 58 4.862 4.973 -0.111 1
1 563 . 17 1 1 A 58 58 THR CA C 58 62.034 59.890 2.144 1
1 564 . 17 1 1 A 58 58 THR CB C 58 72.197 71.581 0.616 1
1 566 . 17 1 1 A 58 58 THR N N 58 119.396 118.913 0.483 1
1 567 . 17 1 1 A 59 59 GLU H H 59 8.883 8.620 0.263 1
1 568 . 17 1 1 A 59 59 GLU HA H 59 4.378 4.526 -0.148 1
1 573 . 17 1 1 A 59 59 GLU CA C 59 54.955 55.102 -0.147 1
1 574 . 17 1 1 A 59 59 GLU CB C 59 31.121 31.090 0.031 1
1 576 . 17 1 1 A 59 59 GLU N N 59 128.594 127.266 1.328 1
1 577 . 17 1 1 A 60 60 GLY H H 60 9.045 8.840 0.205 1
1 578 . 17 1 1 A 60 60 GLY HA2 H 60 4.081 3.840 0.241 1
1 579 . 17 1 1 A 60 60 GLY HA3 H 60 3.529 3.841 -0.312 1
1 580 . 17 1 1 A 60 60 GLY CA C 60 47.127 47.193 -0.066 1
1 581 . 17 1 1 A 60 60 GLY N N 60 117.047 116.073 0.974 1
1 582 . 17 1 1 A 61 61 THR H H 61 8.332 8.580 -0.248 1
1 583 . 17 1 1 A 61 61 THR HA H 61 4.129 4.453 -0.324 1
1 588 . 17 1 1 A 61 61 THR CA C 61 61.659 62.421 -0.762 1
1 589 . 17 1 1 A 61 61 THR CB C 61 68.477 70.065 -1.588 1
1 591 . 17 1 1 A 61 61 THR N N 61 118.086 119.205 -1.119 1
1 592 . 17 1 1 A 62 62 ARG H H 62 7.906 7.362 0.544 1
1 593 . 17 1 1 A 62 62 ARG HA H 62 4.754 4.764 -0.010 1
1 600 . 17 1 1 A 62 62 ARG CA C 62 56.040 55.303 0.737 1
1 601 . 17 1 1 A 62 62 ARG CB C 62 31.775 30.893 0.882 1
1 604 . 17 1 1 A 62 62 ARG N N 62 121.911 122.824 -0.913 1
1 605 . 17 1 1 A 63 63 HIS H H 63 9.212 9.431 -0.219 1
1 606 . 17 1 1 A 63 63 HIS HA H 63 5.364 5.269 0.095 1
1 611 . 17 1 1 A 63 63 HIS CA C 63 55.066 55.245 -0.179 1
1 612 . 17 1 1 A 63 63 HIS CB C 63 33.860 32.696 1.164 1
1 614 . 17 1 1 A 63 63 HIS N N 63 127.111 122.824 4.287 1
1 615 . 17 1 1 A 64 64 THR H H 64 9.261 8.723 0.538 1
1 616 . 17 1 1 A 64 64 THR HA H 64 5.510 5.255 0.255 1
1 621 . 17 1 1 A 64 64 THR CA C 64 60.691 61.522 -0.831 1
1 622 . 17 1 1 A 64 64 THR CB C 64 71.788 71.790 -0.002 1
1 624 . 17 1 1 A 64 64 THR N N 64 117.400 114.456 2.944 1
1 625 . 17 1 1 A 65 65 LEU H H 65 8.456 8.793 -0.337 1
1 626 . 17 1 1 A 65 65 LEU HA H 65 4.642 4.610 0.032 1
1 636 . 17 1 1 A 65 65 LEU CA C 65 52.783 53.065 -0.282 1
1 637 . 17 1 1 A 65 65 LEU CB C 65 41.350 42.956 -1.606 1
1 641 . 17 1 1 A 65 65 LEU N N 65 129.806 129.949 -0.143 1
1 642 . 17 1 1 A 66 66 THR H H 66 9.381 8.953 0.428 1
1 643 . 17 1 1 A 66 66 THR HA H 66 4.975 4.797 0.178 1
1 648 . 17 1 1 A 66 66 THR CA C 66 61.072 62.064 -0.992 1
1 649 . 17 1 1 A 66 66 THR CB C 66 70.346 69.755 0.591 1
1 651 . 17 1 1 A 66 66 THR N N 66 123.110 124.315 -1.205 1
1 652 . 17 1 1 A 67 67 VAL H H 67 9.493 9.234 0.259 1
1 653 . 17 1 1 A 67 67 VAL HA H 67 4.317 4.606 -0.289 1
1 661 . 17 1 1 A 67 67 VAL CA C 67 61.300 61.532 -0.232 1
1 662 . 17 1 1 A 67 67 VAL CB C 67 31.636 34.063 -2.427 1
1 665 . 17 1 1 A 67 67 VAL N N 67 128.451 126.632 1.819 1
1 666 . 17 1 1 A 68 68 ARG H H 68 8.500 8.607 -0.107 1
1 667 . 17 1 1 A 68 68 ARG HA H 68 3.839 4.333 -0.494 1
1 674 . 17 1 1 A 68 68 ARG CA C 68 57.379 56.736 0.643 1
1 675 . 17 1 1 A 68 68 ARG CB C 68 30.481 30.567 -0.086 1
1 678 . 17 1 1 A 68 68 ARG N N 68 124.308 126.796 -2.488 1
1 679 . 17 1 1 A 69 69 GLU H H 69 8.545 8.067 0.478 1
1 680 . 17 1 1 A 69 69 GLU HA H 69 3.147 4.342 -1.195 1
1 685 . 17 1 1 A 69 69 GLU CA C 69 55.733 57.389 -1.656 1
1 686 . 17 1 1 A 69 69 GLU CB C 69 28.793 29.503 -0.710 1
1 688 . 17 1 1 A 69 69 GLU N N 69 118.177 118.872 -0.695 1
1 689 . 17 1 1 A 70 70 VAL H H 70 7.771 7.421 0.350 1
1 690 . 17 1 1 A 70 70 VAL HA H 70 3.810 3.967 -0.157 1
1 698 . 17 1 1 A 70 70 VAL CA C 70 63.848 62.616 1.232 1
1 699 . 17 1 1 A 70 70 VAL CB C 70 31.885 32.409 -0.524 1
1 702 . 17 1 1 A 70 70 VAL N N 70 117.579 120.648 -3.069 1
1 703 . 17 1 1 A 71 71 GLY H H 71 9.389 8.510 0.879 1
1 704 . 17 1 1 A 71 71 GLY HA2 H 71 4.470 4.217 0.253 1
1 705 . 17 1 1 A 71 71 GLY HA3 H 71 3.895 4.222 -0.327 1
1 706 . 17 1 1 A 71 71 GLY CA C 71 43.915 44.628 -0.713 1
1 707 . 17 1 1 A 71 71 GLY N N 71 114.169 114.860 -0.691 1
1 708 . 17 1 1 A 72 72 PRO HA H 72 4.038 4.418 -0.380 1
1 715 . 17 1 1 A 72 72 PRO CA C 72 65.800 64.688 1.112 1
1 716 . 17 1 1 A 72 72 PRO CB C 72 31.553 31.831 -0.278 1
1 719 . 17 1 1 A 73 73 ALA H H 73 8.558 8.353 0.205 1
1 720 . 17 1 1 A 73 73 ALA HA H 73 4.186 4.297 -0.111 1
1 724 . 17 1 1 A 73 73 ALA CA C 73 53.826 53.598 0.228 1
1 725 . 17 1 1 A 73 73 ALA CB C 73 18.152 19.072 -0.920 1
1 726 . 17 1 1 A 73 73 ALA N N 73 118.164 119.992 -1.828 1
1 727 . 17 1 1 A 74 74 ASP H H 74 8.381 7.784 0.597 1
1 728 . 17 1 1 A 74 74 ASP HA H 74 4.586 4.561 0.025 1
1 731 . 17 1 1 A 74 74 ASP CA C 74 55.178 56.622 -1.444 1
1 732 . 17 1 1 A 74 74 ASP CB C 74 42.280 40.923 1.357 1
1 733 . 17 1 1 A 74 74 ASP N N 74 113.856 116.825 -2.969 1
1 734 . 17 1 1 A 75 75 GLN H H 75 7.409 7.561 -0.152 1
1 735 . 17 1 1 A 75 75 GLN HA H 75 4.252 4.256 -0.004 1
1 740 . 17 1 1 A 75 75 GLN CA C 75 56.682 56.620 0.062 1
1 741 . 17 1 1 A 75 75 GLN CB C 75 30.337 28.615 1.722 1
1 743 . 17 1 1 A 75 75 GLN N N 75 119.456 118.162 1.294 1
1 744 . 17 1 1 A 76 76 GLY H H 76 8.984 8.401 0.583 1
1 745 . 17 1 1 A 76 76 GLY HA2 H 76 4.610 4.266 0.344 1
1 746 . 17 1 1 A 76 76 GLY HA3 H 76 3.863 4.288 -0.425 1
1 747 . 17 1 1 A 76 76 GLY CA C 76 44.149 46.179 -2.030 1
1 748 . 17 1 1 A 76 76 GLY N N 76 112.000 110.302 1.698 1
1 749 . 17 1 1 A 77 77 SER H H 77 8.106 8.670 -0.564 1
1 750 . 17 1 1 A 77 77 SER HA H 77 5.009 5.446 -0.437 1
1 753 . 17 1 1 A 77 77 SER CA C 77 58.199 56.523 1.676 1
1 754 . 17 1 1 A 77 77 SER CB C 77 64.099 65.808 -1.709 1
1 755 . 17 1 1 A 77 77 SER N N 77 114.587 116.587 -2.000 1
1 756 . 17 1 1 A 78 78 TYR H H 78 9.056 8.938 0.118 1
1 757 . 17 1 1 A 78 78 TYR HA H 78 4.530 4.809 -0.279 1
1 764 . 17 1 1 A 78 78 TYR CA C 78 56.450 56.494 -0.044 1
1 765 . 17 1 1 A 78 78 TYR CB C 78 43.805 39.060 4.745 1
1 770 . 17 1 1 A 78 78 TYR N N 78 127.751 123.684 4.067 1
1 771 . 17 1 1 A 79 79 ALA H H 79 8.558 8.670 -0.112 1
1 772 . 17 1 1 A 79 79 ALA HA H 79 5.233 5.243 -0.010 1
1 776 . 17 1 1 A 79 79 ALA CA C 79 50.806 49.801 1.005 1
1 777 . 17 1 1 A 79 79 ALA CB C 79 23.130 22.529 0.601 1
1 778 . 17 1 1 A 79 79 ALA N N 79 118.647 125.796 -7.149 1
1 779 . 17 1 1 A 80 80 VAL H H 80 8.717 8.724 -0.007 1
1 780 . 17 1 1 A 80 80 VAL HA H 80 4.905 4.576 0.329 1
1 788 . 17 1 1 A 80 80 VAL CA C 80 58.760 60.073 -1.313 1
1 789 . 17 1 1 A 80 80 VAL CB C 80 35.087 34.868 0.219 1
1 792 . 17 1 1 A 80 80 VAL N N 80 118.846 118.097 0.749 1
1 793 . 17 1 1 A 81 81 ILE H H 81 8.739 8.922 -0.183 1
1 794 . 17 1 1 A 81 81 ILE HA H 81 5.012 5.069 -0.057 1
1 804 . 17 1 1 A 81 81 ILE CA C 81 59.751 59.686 0.065 1
1 805 . 17 1 1 A 81 81 ILE CB C 81 42.030 40.860 1.170 1
1 809 . 17 1 1 A 81 81 ILE N N 81 126.232 128.886 -2.654 1
1 810 . 17 1 1 A 82 82 ALA H H 82 8.388 8.642 -0.254 1
1 811 . 17 1 1 A 82 82 ALA HA H 82 4.449 4.450 -0.001 1
1 815 . 17 1 1 A 82 82 ALA CA C 82 50.839 50.658 0.181 1
1 816 . 17 1 1 A 82 82 ALA CB C 82 21.160 19.726 1.434 1
1 817 . 17 1 1 A 82 82 ALA N N 82 128.273 128.099 0.174 1
1 818 . 17 1 1 A 83 83 GLY H H 83 8.841 8.887 -0.046 1
1 819 . 17 1 1 A 83 83 GLY HA2 H 83 3.815 3.849 -0.034 1
1 820 . 17 1 1 A 83 83 GLY HA3 H 83 3.509 3.853 -0.344 1
1 821 . 17 1 1 A 83 83 GLY CA C 83 46.917 47.188 -0.271 1
1 822 . 17 1 1 A 83 83 GLY N N 83 113.065 114.933 -1.868 1
1 823 . 17 1 1 A 85 85 SER H H 85 8.423 7.907 0.516 1
1 824 . 17 1 1 A 85 85 SER HA H 85 4.659 4.393 0.266 1
1 827 . 17 1 1 A 85 85 SER CA C 85 58.485 58.849 -0.364 1
1 828 . 17 1 1 A 85 85 SER CB C 85 64.397 63.983 0.414 1
1 829 . 17 1 1 A 85 85 SER N N 85 119.428 117.156 2.272 1
1 830 . 17 1 1 A 86 86 LYS H H 86 8.490 8.618 -0.128 1
1 831 . 17 1 1 A 86 86 LYS HA H 86 5.243 4.895 0.348 1
1 840 . 17 1 1 A 86 86 LYS CA C 86 54.822 54.628 0.194 1
1 841 . 17 1 1 A 86 86 LYS CB C 86 35.340 35.356 -0.016 1
1 845 . 17 1 1 A 86 86 LYS N N 86 125.678 127.012 -1.334 1
1 846 . 17 1 1 A 87 87 VAL H H 87 8.863 8.873 -0.010 1
1 847 . 17 1 1 A 87 87 VAL HA H 87 4.300 4.451 -0.151 1
1 855 . 17 1 1 A 87 87 VAL CA C 87 60.870 60.711 0.159 1
1 856 . 17 1 1 A 87 87 VAL CB C 87 34.228 33.082 1.146 1
1 859 . 17 1 1 A 87 87 VAL N N 87 126.631 127.275 -0.644 1
1 860 . 17 1 1 A 88 88 LYS H H 88 8.475 8.581 -0.106 1
1 861 . 17 1 1 A 88 88 LYS HA H 88 5.065 5.088 -0.023 1
1 870 . 17 1 1 A 88 88 LYS CA C 88 55.124 54.630 0.494 1
1 871 . 17 1 1 A 88 88 LYS CB C 88 34.479 35.770 -1.291 1
1 874 . 17 1 1 A 88 88 LYS N N 88 125.592 126.641 -1.049 1
1 875 . 17 1 1 A 89 89 PHE H H 89 8.152 8.272 -0.120 1
1 876 . 17 1 1 A 89 89 PHE HA H 89 4.601 5.637 -1.036 1
1 884 . 17 1 1 A 89 89 PHE CA C 89 56.311 55.164 1.147 1
1 885 . 17 1 1 A 89 89 PHE CB C 89 39.383 42.298 -2.915 1
1 888 . 17 1 1 A 89 89 PHE N N 89 119.005 121.841 -2.836 1
1 889 . 17 1 1 A 90 90 ASP H H 90 9.006 8.641 0.365 1
1 890 . 17 1 1 A 90 90 ASP HA H 90 5.565 5.330 0.235 1
1 893 . 17 1 1 A 90 90 ASP CA C 90 53.532 53.160 0.372 1
1 894 . 17 1 1 A 90 90 ASP CB C 90 45.151 43.178 1.973 1
1 895 . 17 1 1 A 90 90 ASP N N 90 118.742 121.474 -2.732 1
1 896 . 17 1 1 A 91 91 LEU H H 91 8.733 9.114 -0.381 1
1 897 . 17 1 1 A 91 91 LEU HA H 91 5.137 5.234 -0.097 1
1 907 . 17 1 1 A 91 91 LEU CA C 91 54.171 53.694 0.477 1
1 908 . 17 1 1 A 91 91 LEU CB C 91 45.625 44.836 0.789 1
1 911 . 17 1 1 A 91 91 LEU N N 91 121.344 126.578 -5.234 1
1 912 . 17 1 1 A 92 92 LYS H H 92 8.892 8.501 0.391 1
1 913 . 17 1 1 A 92 92 LYS HA H 92 4.733 4.808 -0.075 1
1 922 . 17 1 1 A 92 92 LYS CA C 92 54.910 55.947 -1.037 1
1 923 . 17 1 1 A 92 92 LYS CB C 92 35.261 33.443 1.818 1
1 927 . 17 1 1 A 92 92 LYS N N 92 128.486 127.245 1.241 1
1 928 . 17 1 1 A 93 93 VAL H H 93 8.563 8.704 -0.141 1
1 929 . 17 1 1 A 93 93 VAL HA H 93 4.818 4.769 0.049 1
1 937 . 17 1 1 A 93 93 VAL CA C 93 60.568 62.026 -1.458 1
1 938 . 17 1 1 A 93 93 VAL CB C 93 33.024 32.909 0.115 1
1 941 . 17 1 1 A 93 93 VAL N N 93 124.459 124.518 -0.059 1
1 942 . 17 1 1 A 94 94 ILE H H 94 8.395 8.982 -0.587 1
1 943 . 17 1 1 A 94 94 ILE HA H 94 4.162 4.657 -0.495 1
1 953 . 17 1 1 A 94 94 ILE CA C 94 60.238 59.932 0.306 1
1 954 . 17 1 1 A 94 94 ILE CB C 94 39.279 40.073 -0.794 1
1 958 . 17 1 1 A 94 94 ILE N N 94 126.433 127.834 -1.401 1
1 1 . 18 1 1 A 3 3 PRO HA H 3 4.235 4.643 -0.408 1
1 8 . 18 1 1 A 3 3 PRO CA C 3 63.375 62.885 0.490 1
1 9 . 18 1 1 A 3 3 PRO CB C 3 31.835 31.717 0.118 1
1 11 . 18 1 1 A 4 4 GLY H H 4 8.439 8.676 -0.237 1
1 12 . 18 1 1 A 4 4 GLY HA2 H 4 3.854 3.836 0.018 1
1 13 . 18 1 1 A 4 4 GLY HA3 H 4 3.819 3.836 -0.017 1
1 14 . 18 1 1 A 4 4 GLY CA C 4 45.043 47.042 -1.999 1
1 15 . 18 1 1 A 4 4 GLY N N 4 108.904 109.186 -0.282 1
1 16 . 18 1 1 A 5 5 LYS H H 5 7.974 7.689 0.285 1
1 17 . 18 1 1 A 5 5 LYS HA H 5 4.265 4.525 -0.260 1
1 26 . 18 1 1 A 5 5 LYS CA C 5 55.709 55.081 0.628 1
1 27 . 18 1 1 A 5 5 LYS CB C 5 33.081 34.227 -1.146 1
1 31 . 18 1 1 A 5 5 LYS N N 5 120.616 119.096 1.520 1
1 32 . 18 1 1 A 6 6 LYS H H 6 8.291 8.511 -0.220 1
1 33 . 18 1 1 A 6 6 LYS HA H 6 4.505 4.848 -0.343 1
1 36 . 18 1 1 A 6 6 LYS CA C 6 54.105 53.958 0.147 1
1 37 . 18 1 1 A 6 6 LYS CB C 6 32.381 33.482 -1.101 1
1 38 . 18 1 1 A 6 6 LYS N N 6 124.267 121.326 2.941 1
1 39 . 18 1 1 A 7 7 PRO HA H 7 4.371 4.433 -0.062 1
1 46 . 18 1 1 A 7 7 PRO CA C 7 62.738 62.759 -0.021 1
1 47 . 18 1 1 A 7 7 PRO CB C 7 31.942 31.896 0.046 1
1 50 . 18 1 1 A 8 8 VAL H H 8 8.244 8.307 -0.063 1
1 51 . 18 1 1 A 8 8 VAL HA H 8 4.012 4.014 -0.002 1
1 59 . 18 1 1 A 8 8 VAL CA C 8 61.883 62.270 -0.387 1
1 60 . 18 1 1 A 8 8 VAL CB C 8 32.743 30.742 2.001 1
1 63 . 18 1 1 A 8 8 VAL N N 8 120.593 123.423 -2.830 1
1 64 . 18 1 1 A 9 9 SER H H 9 8.296 8.378 -0.082 1
1 65 . 18 1 1 A 9 9 SER HA H 9 4.315 5.054 -0.739 1
1 68 . 18 1 1 A 9 9 SER CA C 9 57.429 56.469 0.960 1
1 69 . 18 1 1 A 9 9 SER CB C 9 63.804 66.292 -2.488 1
1 70 . 18 1 1 A 9 9 SER N N 9 118.557 121.017 -2.460 1
1 71 . 18 1 1 A 10 10 ALA H H 10 8.214 8.481 -0.267 1
1 72 . 18 1 1 A 10 10 ALA HA H 10 4.069 4.629 -0.560 1
1 76 . 18 1 1 A 10 10 ALA CA C 10 53.042 51.277 1.765 1
1 77 . 18 1 1 A 10 10 ALA CB C 10 19.919 20.112 -0.193 1
1 78 . 18 1 1 A 10 10 ALA N N 10 125.277 121.030 4.247 1
1 79 . 18 1 1 A 11 11 PHE H H 11 8.238 7.782 0.456 1
1 80 . 18 1 1 A 11 11 PHE HA H 11 4.816 4.915 -0.099 1
1 88 . 18 1 1 A 11 11 PHE CA C 11 57.727 56.137 1.590 1
1 89 . 18 1 1 A 11 11 PHE CB C 11 39.854 39.192 0.662 1
1 94 . 18 1 1 A 11 11 PHE N N 11 114.771 118.069 -3.298 1
1 95 . 18 1 1 A 12 12 SER H H 12 8.809 8.885 -0.076 1
1 96 . 18 1 1 A 12 12 SER HA H 12 4.395 4.309 0.086 1
1 99 . 18 1 1 A 12 12 SER CA C 12 58.641 61.604 -2.963 1
1 100 . 18 1 1 A 12 12 SER CB C 12 63.274 63.236 0.038 1
1 101 . 18 1 1 A 12 12 SER N N 12 119.399 121.580 -2.181 1
1 102 . 18 1 1 A 13 13 LYS H H 13 7.884 7.859 0.025 1
1 103 . 18 1 1 A 13 13 LYS HA H 13 4.575 4.836 -0.261 1
1 112 . 18 1 1 A 13 13 LYS CA C 13 56.362 55.190 1.172 1
1 113 . 18 1 1 A 13 13 LYS CB C 13 35.664 35.237 0.427 1
1 114 . 18 1 1 A 13 13 LYS N N 13 121.565 119.691 1.874 1
1 115 . 18 1 1 A 14 14 LYS H H 14 8.744 8.576 0.168 1
1 116 . 18 1 1 A 14 14 LYS HA H 14 4.313 4.480 -0.167 1
1 123 . 18 1 1 A 14 14 LYS CA C 14 53.374 54.432 -1.058 1
1 124 . 18 1 1 A 14 14 LYS CB C 14 32.741 33.184 -0.443 1
1 127 . 18 1 1 A 14 14 LYS N N 14 125.096 127.832 -2.736 1
1 128 . 18 1 1 A 15 15 PRO HA H 15 4.693 4.816 -0.123 1
1 135 . 18 1 1 A 15 15 PRO CA C 15 62.248 62.167 0.081 1
1 136 . 18 1 1 A 15 15 PRO CB C 15 31.343 29.229 2.114 1
1 139 . 18 1 1 A 16 16 ARG H H 16 8.118 8.095 0.023 1
1 140 . 18 1 1 A 16 16 ARG HA H 16 4.592 4.267 0.325 1
1 147 . 18 1 1 A 16 16 ARG CA C 16 53.951 56.170 -2.219 1
1 148 . 18 1 1 A 16 16 ARG CB C 16 32.456 30.486 1.970 1
1 151 . 18 1 1 A 16 16 ARG N N 16 119.622 119.341 0.281 1
1 152 . 18 1 1 A 17 17 SER H H 17 8.511 8.517 -0.006 1
1 153 . 18 1 1 A 17 17 SER HA H 17 5.281 4.960 0.321 1
1 156 . 18 1 1 A 17 17 SER CA C 17 59.888 57.957 1.931 1
1 157 . 18 1 1 A 17 17 SER CB C 17 63.405 64.996 -1.591 1
1 158 . 18 1 1 A 17 17 SER N N 17 117.935 114.401 3.534 1
1 159 . 18 1 1 A 18 18 VAL H H 18 8.389 8.896 -0.507 1
1 160 . 18 1 1 A 18 18 VAL HA H 18 4.660 4.961 -0.301 1
1 168 . 18 1 1 A 18 18 VAL CA C 18 60.004 59.076 0.928 1
1 169 . 18 1 1 A 18 18 VAL CB C 18 36.675 35.964 0.711 1
1 172 . 18 1 1 A 18 18 VAL N N 18 117.416 116.441 0.975 1
1 173 . 18 1 1 A 19 19 GLU H H 19 8.190 8.728 -0.538 1
1 174 . 18 1 1 A 19 19 GLU HA H 19 5.351 5.515 -0.164 1
1 179 . 18 1 1 A 19 19 GLU CA C 19 54.138 54.893 -0.755 1
1 180 . 18 1 1 A 19 19 GLU CB C 19 31.658 32.333 -0.675 1
1 181 . 18 1 1 A 19 19 GLU N N 19 124.652 120.995 3.657 1
1 182 . 18 1 1 A 20 20 VAL H H 20 8.616 8.809 -0.193 1
1 183 . 18 1 1 A 20 20 VAL HA H 20 4.491 4.755 -0.264 1
1 191 . 18 1 1 A 20 20 VAL CA C 20 59.013 59.424 -0.411 1
1 192 . 18 1 1 A 20 20 VAL CB C 20 36.048 35.449 0.599 1
1 195 . 18 1 1 A 20 20 VAL N N 20 120.245 118.767 1.478 1
1 196 . 18 1 1 A 21 21 ALA H H 21 8.375 8.723 -0.348 1
1 197 . 18 1 1 A 21 21 ALA HA H 21 4.364 4.599 -0.235 1
1 201 . 18 1 1 A 21 21 ALA CA C 21 51.307 51.974 -0.667 1
1 202 . 18 1 1 A 21 21 ALA CB C 21 18.726 18.838 -0.112 1
1 203 . 18 1 1 A 21 21 ALA N N 21 126.173 126.668 -0.495 1
1 204 . 18 1 1 A 22 22 ALA H H 22 8.287 8.210 0.077 1
1 205 . 18 1 1 A 22 22 ALA HA H 22 3.899 3.987 -0.088 1
1 209 . 18 1 1 A 22 22 ALA CA C 22 53.104 53.990 -0.886 1
1 210 . 18 1 1 A 22 22 ALA CB C 22 17.631 18.454 -0.823 1
1 211 . 18 1 1 A 22 22 ALA N N 22 123.045 123.309 -0.264 1
1 212 . 18 1 1 A 23 23 GLY H H 23 9.862 8.836 1.026 1
1 213 . 18 1 1 A 23 23 GLY HA2 H 23 3.255 3.996 -0.741 1
1 214 . 18 1 1 A 23 23 GLY HA3 H 23 4.371 3.998 0.373 1
1 215 . 18 1 1 A 23 23 GLY CA C 23 44.741 44.987 -0.246 1
1 216 . 18 1 1 A 23 23 GLY N N 23 112.047 111.619 0.428 1
1 217 . 18 1 1 A 24 24 SER H H 24 7.944 7.863 0.081 1
1 218 . 18 1 1 A 24 24 SER HA H 24 4.750 4.536 0.214 1
1 221 . 18 1 1 A 24 24 SER CA C 24 57.787 56.315 1.472 1
1 222 . 18 1 1 A 24 24 SER CB C 24 63.296 63.894 -0.598 1
1 223 . 18 1 1 A 24 24 SER N N 24 119.405 117.787 1.618 1
1 224 . 18 1 1 A 25 25 PRO HA H 25 5.142 4.624 0.518 1
1 231 . 18 1 1 A 25 25 PRO CA C 25 61.743 62.716 -0.973 1
1 232 . 18 1 1 A 25 25 PRO CB C 25 31.751 32.086 -0.335 1
1 235 . 18 1 1 A 26 26 ALA H H 26 8.688 8.244 0.444 1
1 236 . 18 1 1 A 26 26 ALA HA H 26 4.396 4.854 -0.458 1
1 240 . 18 1 1 A 26 26 ALA CA C 26 49.972 50.513 -0.541 1
1 241 . 18 1 1 A 26 26 ALA CB C 26 22.877 21.950 0.927 1
1 242 . 18 1 1 A 26 26 ALA N N 26 123.024 124.196 -1.172 1
1 243 . 18 1 1 A 27 27 VAL H H 27 7.751 8.673 -0.922 1
1 244 . 18 1 1 A 27 27 VAL HA H 27 4.522 5.108 -0.586 1
1 252 . 18 1 1 A 27 27 VAL CA C 27 60.899 58.923 1.976 1
1 253 . 18 1 1 A 27 27 VAL CB C 27 33.331 35.117 -1.786 1
1 255 . 18 1 1 A 27 27 VAL N N 27 121.938 122.070 -0.132 1
1 256 . 18 1 1 A 28 28 PHE H H 28 9.196 9.093 0.103 1
1 257 . 18 1 1 A 28 28 PHE HA H 28 4.561 5.067 -0.506 1
1 265 . 18 1 1 A 28 28 PHE CA C 28 56.051 56.158 -0.107 1
1 266 . 18 1 1 A 28 28 PHE CB C 28 42.218 42.173 0.045 1
1 271 . 18 1 1 A 28 28 PHE N N 28 126.818 125.914 0.904 1
1 272 . 18 1 1 A 29 29 GLU H H 29 8.583 9.151 -0.568 1
1 273 . 18 1 1 A 29 29 GLU HA H 29 5.405 5.033 0.372 1
1 278 . 18 1 1 A 29 29 GLU CA C 29 54.508 55.568 -1.060 1
1 279 . 18 1 1 A 29 29 GLU CB C 29 33.692 31.724 1.968 1
1 280 . 18 1 1 A 29 29 GLU N N 29 120.733 124.630 -3.897 1
1 281 . 18 1 1 A 30 30 ALA H H 30 9.484 9.700 -0.216 1
1 282 . 18 1 1 A 30 30 ALA HA H 30 4.691 5.404 -0.713 1
1 286 . 18 1 1 A 30 30 ALA CA C 30 49.421 50.756 -1.335 1
1 287 . 18 1 1 A 30 30 ALA CB C 30 23.523 21.705 1.818 1
1 288 . 18 1 1 A 30 30 ALA N N 30 124.341 130.010 -5.669 1
1 289 . 18 1 1 A 31 31 GLU H H 31 9.001 9.222 -0.221 1
1 290 . 18 1 1 A 31 31 GLU HA H 31 6.016 5.248 0.768 1
1 295 . 18 1 1 A 31 31 GLU CA C 31 54.301 55.116 -0.815 1
1 296 . 18 1 1 A 31 31 GLU CB C 31 33.336 32.204 1.132 1
1 298 . 18 1 1 A 31 31 GLU N N 31 120.169 123.692 -3.523 1
1 299 . 18 1 1 A 32 32 THR H H 32 9.330 8.894 0.436 1
1 300 . 18 1 1 A 32 32 THR HA H 32 4.842 4.364 0.478 1
1 305 . 18 1 1 A 32 32 THR CA C 32 59.738 60.220 -0.482 1
1 306 . 18 1 1 A 32 32 THR CB C 32 69.791 71.279 -1.488 1
1 308 . 18 1 1 A 32 32 THR N N 32 115.538 115.350 0.188 1
1 309 . 18 1 1 A 33 33 GLU H H 33 7.950 8.854 -0.904 1
1 310 . 18 1 1 A 33 33 GLU HA H 33 3.944 4.513 -0.569 1
1 315 . 18 1 1 A 33 33 GLU CA C 33 58.563 57.305 1.258 1
1 316 . 18 1 1 A 33 33 GLU CB C 33 29.836 30.272 -0.436 1
1 318 . 18 1 1 A 33 33 GLU N N 33 119.723 122.009 -2.286 1
1 319 . 18 1 1 A 34 34 ARG H H 34 7.791 7.507 0.284 1
1 320 . 18 1 1 A 34 34 ARG HA H 34 4.490 4.765 -0.275 1
1 327 . 18 1 1 A 34 34 ARG CA C 34 53.485 55.408 -1.923 1
1 328 . 18 1 1 A 34 34 ARG CB C 34 32.411 33.670 -1.259 1
1 331 . 18 1 1 A 34 34 ARG N N 34 113.251 119.047 -5.796 1
1 332 . 18 1 1 A 35 35 ALA H H 35 8.614 8.536 0.078 1
1 333 . 18 1 1 A 35 35 ALA HA H 35 4.050 4.592 -0.542 1
1 337 . 18 1 1 A 35 35 ALA CA C 35 51.762 51.579 0.183 1
1 338 . 18 1 1 A 35 35 ALA N N 35 125.041 125.918 -0.877 1
1 339 . 18 1 1 A 36 36 GLY H H 36 8.647 8.879 -0.232 1
1 340 . 18 1 1 A 36 36 GLY HA2 H 36 3.634 3.992 -0.358 1
1 341 . 18 1 1 A 36 36 GLY HA3 H 36 3.960 4.001 -0.041 1
1 342 . 18 1 1 A 36 36 GLY CA C 36 45.703 44.979 0.724 1
1 343 . 18 1 1 A 36 36 GLY N N 36 108.031 110.080 -2.049 1
1 344 . 18 1 1 A 37 37 VAL H H 37 7.077 7.752 -0.675 1
1 345 . 18 1 1 A 37 37 VAL HA H 37 3.869 4.263 -0.394 1
1 353 . 18 1 1 A 37 37 VAL CA C 37 61.469 60.851 0.618 1
1 354 . 18 1 1 A 37 37 VAL CB C 37 32.942 32.905 0.037 1
1 357 . 18 1 1 A 37 37 VAL N N 37 119.457 118.446 1.011 1
1 358 . 18 1 1 A 38 38 LYS H H 38 8.467 8.656 -0.189 1
1 359 . 18 1 1 A 38 38 LYS HA H 38 4.267 4.783 -0.516 1
1 366 . 18 1 1 A 38 38 LYS CA C 38 55.873 55.579 0.294 1
1 367 . 18 1 1 A 38 38 LYS CB C 38 30.881 33.069 -2.188 1
1 370 . 18 1 1 A 38 38 LYS N N 38 128.214 122.730 5.484 1
1 371 . 18 1 1 A 39 39 VAL H H 39 7.993 8.264 -0.271 1
1 372 . 18 1 1 A 39 39 VAL HA H 39 4.537 3.902 0.635 1
1 380 . 18 1 1 A 39 39 VAL CA C 39 60.114 62.680 -2.566 1
1 381 . 18 1 1 A 39 39 VAL CB C 39 33.719 31.127 2.592 1
1 384 . 18 1 1 A 39 39 VAL N N 39 123.133 125.197 -2.064 1
1 385 . 18 1 1 A 40 40 ARG H H 40 8.507 8.780 -0.273 1
1 386 . 18 1 1 A 40 40 ARG HA H 40 4.503 4.921 -0.418 1
1 393 . 18 1 1 A 40 40 ARG CA C 40 54.098 55.156 -1.058 1
1 394 . 18 1 1 A 40 40 ARG CB C 40 33.701 31.412 2.289 1
1 397 . 18 1 1 A 40 40 ARG N N 40 124.492 127.649 -3.157 1
1 398 . 18 1 1 A 41 41 TRP H H 41 9.083 8.996 0.087 1
1 399 . 18 1 1 A 41 41 TRP HA H 41 5.311 5.432 -0.121 1
1 408 . 18 1 1 A 41 41 TRP CA C 41 55.134 55.882 -0.748 1
1 409 . 18 1 1 A 41 41 TRP CB C 41 31.370 32.711 -1.341 1
1 413 . 18 1 1 A 41 41 TRP N N 41 123.367 126.147 -2.780 1
1 415 . 18 1 1 A 42 42 GLN H H 42 9.532 9.145 0.387 1
1 416 . 18 1 1 A 42 42 GLN HA H 42 5.159 4.795 0.364 1
1 423 . 18 1 1 A 42 42 GLN CA C 42 54.445 54.505 -0.060 1
1 424 . 18 1 1 A 42 42 GLN CB C 42 34.775 32.816 1.959 1
1 426 . 18 1 1 A 42 42 GLN N N 42 118.692 122.351 -3.659 1
1 427 . 18 1 1 A 43 43 ARG H H 43 8.209 9.006 -0.797 1
1 428 . 18 1 1 A 43 43 ARG HA H 43 4.039 4.199 -0.160 1
1 435 . 18 1 1 A 43 43 ARG CA C 43 54.790 54.629 0.161 1
1 436 . 18 1 1 A 43 43 ARG CB C 43 32.202 31.273 0.929 1
1 439 . 18 1 1 A 43 43 ARG N N 43 119.579 126.645 -7.066 1
1 440 . 18 1 1 A 46 46 SER H H 46 7.513 7.902 -0.389 1
1 441 . 18 1 1 A 46 46 SER HA H 46 4.674 4.950 -0.276 1
1 444 . 18 1 1 A 46 46 SER CA C 46 56.766 56.894 -0.128 1
1 445 . 18 1 1 A 46 46 SER CB C 46 64.815 65.342 -0.527 1
1 446 . 18 1 1 A 46 46 SER N N 46 114.927 115.742 -0.815 1
1 447 . 18 1 1 A 47 47 ASP H H 47 8.698 8.775 -0.077 1
1 448 . 18 1 1 A 47 47 ASP HA H 47 4.830 4.555 0.275 1
1 451 . 18 1 1 A 47 47 ASP CA C 47 55.177 54.640 0.537 1
1 452 . 18 1 1 A 47 47 ASP CB C 47 40.385 41.125 -0.740 1
1 453 . 18 1 1 A 47 47 ASP N N 47 125.553 126.606 -1.053 1
1 454 . 18 1 1 A 48 48 ILE H H 48 8.781 8.661 0.120 1
1 455 . 18 1 1 A 48 48 ILE HA H 48 3.879 4.680 -0.801 1
1 465 . 18 1 1 A 48 48 ILE CA C 48 61.218 59.855 1.363 1
1 466 . 18 1 1 A 48 48 ILE CB C 48 39.345 40.070 -0.725 1
1 470 . 18 1 1 A 48 48 ILE N N 48 124.032 122.929 1.103 1
1 471 . 18 1 1 A 49 49 SER H H 49 7.963 8.698 -0.735 1
1 472 . 18 1 1 A 49 49 SER HA H 49 4.681 4.798 -0.117 1
1 475 . 18 1 1 A 49 49 SER CA C 49 56.256 56.756 -0.500 1
1 476 . 18 1 1 A 49 49 SER CB C 49 65.243 65.349 -0.106 1
1 477 . 18 1 1 A 49 49 SER N N 49 121.077 119.696 1.381 1
1 478 . 18 1 1 A 50 50 ALA H H 50 8.516 8.357 0.159 1
1 479 . 18 1 1 A 50 50 ALA HA H 50 4.302 4.359 -0.057 1
1 483 . 18 1 1 A 50 50 ALA CA C 50 53.052 53.001 0.051 1
1 484 . 18 1 1 A 50 50 ALA CB C 50 18.821 18.346 0.475 1
1 485 . 18 1 1 A 50 50 ALA N N 50 123.977 126.839 -2.862 1
1 486 . 18 1 1 A 51 51 SER H H 51 9.564 8.640 0.924 1
1 487 . 18 1 1 A 51 51 SER HA H 51 4.797 4.918 -0.121 1
1 490 . 18 1 1 A 51 51 SER CA C 51 56.946 57.283 -0.337 1
1 491 . 18 1 1 A 51 51 SER CB C 51 65.759 65.938 -0.179 1
1 492 . 18 1 1 A 51 51 SER N N 51 117.545 118.134 -0.589 1
1 494 . 18 1 1 A 52 52 ASN CA C 52 55.930 54.510 1.420 1
1 495 . 18 1 1 A 52 52 ASN CB C 52 37.045 38.355 -1.310 1
1 496 . 18 1 1 A 53 53 LYS H H 53 8.053 8.858 -0.805 1
1 497 . 18 1 1 A 53 53 LYS HA H 53 3.995 3.980 0.015 1
1 506 . 18 1 1 A 53 53 LYS CA C 53 53.699 57.775 -4.076 1
1 507 . 18 1 1 A 53 53 LYS CB C 53 33.687 32.026 1.661 1
1 511 . 18 1 1 A 53 53 LYS N N 53 121.638 124.729 -3.091 1
1 512 . 18 1 1 A 54 54 TYR H H 54 6.779 7.855 -1.076 1
1 513 . 18 1 1 A 54 54 TYR HA H 54 5.484 5.301 0.183 1
1 520 . 18 1 1 A 54 54 TYR CA C 54 55.016 56.442 -1.426 1
1 521 . 18 1 1 A 54 54 TYR CB C 54 40.147 43.508 -3.361 1
1 526 . 18 1 1 A 54 54 TYR N N 54 114.754 118.841 -4.087 1
1 527 . 18 1 1 A 55 55 GLY H H 55 9.666 8.631 1.035 1
1 528 . 18 1 1 A 55 55 GLY HA2 H 55 4.653 4.246 0.407 1
1 529 . 18 1 1 A 55 55 GLY HA3 H 55 3.343 4.262 -0.919 1
1 530 . 18 1 1 A 55 55 GLY CA C 55 44.332 45.325 -0.993 1
1 531 . 18 1 1 A 55 55 GLY N N 55 110.691 108.586 2.105 1
1 532 . 18 1 1 A 56 56 LEU H H 56 8.542 8.909 -0.367 1
1 533 . 18 1 1 A 56 56 LEU HA H 56 5.138 4.875 0.263 1
1 543 . 18 1 1 A 56 56 LEU CA C 56 54.213 53.816 0.397 1
1 544 . 18 1 1 A 56 56 LEU CB C 56 45.206 44.144 1.062 1
1 548 . 18 1 1 A 56 56 LEU N N 56 125.972 125.648 0.324 1
1 549 . 18 1 1 A 57 57 ALA H H 57 8.594 8.921 -0.327 1
1 550 . 18 1 1 A 57 57 ALA HA H 57 4.790 4.951 -0.161 1
1 554 . 18 1 1 A 57 57 ALA CA C 57 51.318 50.240 1.078 1
1 555 . 18 1 1 A 57 57 ALA CB C 57 22.564 20.097 2.467 1
1 556 . 18 1 1 A 57 57 ALA N N 57 124.534 127.413 -2.879 1
1 557 . 18 1 1 A 58 58 THR H H 58 8.602 8.971 -0.369 1
1 558 . 18 1 1 A 58 58 THR HA H 58 4.862 4.725 0.137 1
1 563 . 18 1 1 A 58 58 THR CA C 58 62.034 60.089 1.945 1
1 564 . 18 1 1 A 58 58 THR CB C 58 72.197 71.415 0.782 1
1 566 . 18 1 1 A 58 58 THR N N 58 119.396 119.074 0.322 1
1 567 . 18 1 1 A 59 59 GLU H H 59 8.883 8.595 0.288 1
1 568 . 18 1 1 A 59 59 GLU HA H 59 4.378 4.517 -0.139 1
1 573 . 18 1 1 A 59 59 GLU CA C 59 54.955 55.056 -0.101 1
1 574 . 18 1 1 A 59 59 GLU CB C 59 31.121 30.483 0.638 1
1 576 . 18 1 1 A 59 59 GLU N N 59 128.594 127.745 0.849 1
1 577 . 18 1 1 A 60 60 GLY H H 60 9.045 8.915 0.130 1
1 578 . 18 1 1 A 60 60 GLY HA2 H 60 4.081 3.864 0.217 1
1 579 . 18 1 1 A 60 60 GLY HA3 H 60 3.529 3.868 -0.339 1
1 580 . 18 1 1 A 60 60 GLY CA C 60 47.127 47.228 -0.101 1
1 581 . 18 1 1 A 60 60 GLY N N 60 117.047 115.836 1.211 1
1 582 . 18 1 1 A 61 61 THR H H 61 8.332 8.549 -0.217 1
1 583 . 18 1 1 A 61 61 THR HA H 61 4.129 4.597 -0.468 1
1 588 . 18 1 1 A 61 61 THR CA C 61 61.659 61.317 0.342 1
1 589 . 18 1 1 A 61 61 THR CB C 61 68.477 68.921 -0.444 1
1 591 . 18 1 1 A 61 61 THR N N 61 118.086 118.976 -0.890 1
1 592 . 18 1 1 A 62 62 ARG H H 62 7.906 7.735 0.171 1
1 593 . 18 1 1 A 62 62 ARG HA H 62 4.754 5.079 -0.325 1
1 600 . 18 1 1 A 62 62 ARG CA C 62 56.040 54.802 1.238 1
1 601 . 18 1 1 A 62 62 ARG CB C 62 31.775 32.584 -0.809 1
1 604 . 18 1 1 A 62 62 ARG N N 62 121.911 121.167 0.744 1
1 605 . 18 1 1 A 63 63 HIS H H 63 9.212 9.609 -0.397 1
1 606 . 18 1 1 A 63 63 HIS HA H 63 5.364 5.440 -0.076 1
1 611 . 18 1 1 A 63 63 HIS CA C 63 55.066 54.621 0.445 1
1 612 . 18 1 1 A 63 63 HIS CB C 63 33.860 33.290 0.570 1
1 614 . 18 1 1 A 63 63 HIS N N 63 127.111 121.593 5.518 1
1 615 . 18 1 1 A 64 64 THR H H 64 9.261 9.462 -0.201 1
1 616 . 18 1 1 A 64 64 THR HA H 64 5.510 5.174 0.336 1
1 621 . 18 1 1 A 64 64 THR CA C 64 60.691 62.064 -1.373 1
1 622 . 18 1 1 A 64 64 THR CB C 64 71.788 69.910 1.878 1
1 624 . 18 1 1 A 64 64 THR N N 64 117.400 118.706 -1.306 1
1 625 . 18 1 1 A 65 65 LEU H H 65 8.456 8.736 -0.280 1
1 626 . 18 1 1 A 65 65 LEU HA H 65 4.642 4.657 -0.015 1
1 636 . 18 1 1 A 65 65 LEU CA C 65 52.783 53.591 -0.808 1
1 637 . 18 1 1 A 65 65 LEU CB C 65 41.350 42.522 -1.172 1
1 641 . 18 1 1 A 65 65 LEU N N 65 129.806 129.860 -0.054 1
1 642 . 18 1 1 A 66 66 THR H H 66 9.381 8.927 0.454 1
1 643 . 18 1 1 A 66 66 THR HA H 66 4.975 4.834 0.141 1
1 648 . 18 1 1 A 66 66 THR CA C 66 61.072 61.889 -0.817 1
1 649 . 18 1 1 A 66 66 THR CB C 66 70.346 70.189 0.157 1
1 651 . 18 1 1 A 66 66 THR N N 66 123.110 124.328 -1.218 1
1 652 . 18 1 1 A 67 67 VAL H H 67 9.493 8.833 0.660 1
1 653 . 18 1 1 A 67 67 VAL HA H 67 4.317 4.670 -0.353 1
1 661 . 18 1 1 A 67 67 VAL CA C 67 61.300 60.015 1.285 1
1 662 . 18 1 1 A 67 67 VAL CB C 67 31.636 35.107 -3.471 1
1 665 . 18 1 1 A 67 67 VAL N N 67 128.451 125.535 2.916 1
1 666 . 18 1 1 A 68 68 ARG H H 68 8.500 8.783 -0.283 1
1 667 . 18 1 1 A 68 68 ARG HA H 68 3.839 4.333 -0.494 1
1 674 . 18 1 1 A 68 68 ARG CA C 68 57.379 56.698 0.681 1
1 675 . 18 1 1 A 68 68 ARG CB C 68 30.481 30.456 0.025 1
1 678 . 18 1 1 A 68 68 ARG N N 68 124.308 128.480 -4.172 1
1 679 . 18 1 1 A 69 69 GLU H H 69 8.545 8.027 0.518 1
1 680 . 18 1 1 A 69 69 GLU HA H 69 3.147 4.055 -0.908 1
1 685 . 18 1 1 A 69 69 GLU CA C 69 55.733 58.263 -2.530 1
1 686 . 18 1 1 A 69 69 GLU CB C 69 28.793 29.723 -0.930 1
1 688 . 18 1 1 A 69 69 GLU N N 69 118.177 119.292 -1.115 1
1 689 . 18 1 1 A 70 70 VAL H H 70 7.771 7.312 0.459 1
1 690 . 18 1 1 A 70 70 VAL HA H 70 3.810 4.000 -0.190 1
1 698 . 18 1 1 A 70 70 VAL CA C 70 63.848 62.745 1.103 1
1 699 . 18 1 1 A 70 70 VAL CB C 70 31.885 32.385 -0.500 1
1 702 . 18 1 1 A 70 70 VAL N N 70 117.579 119.434 -1.855 1
1 703 . 18 1 1 A 71 71 GLY H H 71 9.389 8.339 1.050 1
1 704 . 18 1 1 A 71 71 GLY HA2 H 71 4.470 4.217 0.253 1
1 705 . 18 1 1 A 71 71 GLY HA3 H 71 3.895 4.222 -0.327 1
1 706 . 18 1 1 A 71 71 GLY CA C 71 43.915 45.477 -1.562 1
1 707 . 18 1 1 A 71 71 GLY N N 71 114.169 114.280 -0.111 1
1 708 . 18 1 1 A 72 72 PRO HA H 72 4.038 4.433 -0.395 1
1 715 . 18 1 1 A 72 72 PRO CA C 72 65.800 64.612 1.188 1
1 716 . 18 1 1 A 72 72 PRO CB C 72 31.553 31.796 -0.243 1
1 719 . 18 1 1 A 73 73 ALA H H 73 8.558 8.312 0.246 1
1 720 . 18 1 1 A 73 73 ALA HA H 73 4.186 4.288 -0.102 1
1 724 . 18 1 1 A 73 73 ALA CA C 73 53.826 53.480 0.346 1
1 725 . 18 1 1 A 73 73 ALA CB C 73 18.152 19.104 -0.952 1
1 726 . 18 1 1 A 73 73 ALA N N 73 118.164 119.740 -1.576 1
1 727 . 18 1 1 A 74 74 ASP H H 74 8.381 7.868 0.513 1
1 728 . 18 1 1 A 74 74 ASP HA H 74 4.586 4.736 -0.150 1
1 731 . 18 1 1 A 74 74 ASP CA C 74 55.178 54.100 1.078 1
1 732 . 18 1 1 A 74 74 ASP CB C 74 42.280 42.004 0.276 1
1 733 . 18 1 1 A 74 74 ASP N N 74 113.856 116.755 -2.899 1
1 734 . 18 1 1 A 75 75 GLN H H 75 7.409 7.711 -0.302 1
1 735 . 18 1 1 A 75 75 GLN HA H 75 4.252 4.390 -0.138 1
1 740 . 18 1 1 A 75 75 GLN CA C 75 56.682 55.527 1.155 1
1 741 . 18 1 1 A 75 75 GLN CB C 75 30.337 28.521 1.816 1
1 743 . 18 1 1 A 75 75 GLN N N 75 119.456 121.503 -2.047 1
1 744 . 18 1 1 A 76 76 GLY H H 76 8.984 8.178 0.806 1
1 745 . 18 1 1 A 76 76 GLY HA2 H 76 4.610 4.223 0.387 1
1 746 . 18 1 1 A 76 76 GLY HA3 H 76 3.863 4.241 -0.378 1
1 747 . 18 1 1 A 76 76 GLY CA C 76 44.149 46.009 -1.860 1
1 748 . 18 1 1 A 76 76 GLY N N 76 112.000 113.262 -1.262 1
1 749 . 18 1 1 A 77 77 SER H H 77 8.106 8.674 -0.568 1
1 750 . 18 1 1 A 77 77 SER HA H 77 5.009 5.414 -0.405 1
1 753 . 18 1 1 A 77 77 SER CA C 77 58.199 56.510 1.689 1
1 754 . 18 1 1 A 77 77 SER CB C 77 64.099 66.788 -2.689 1
1 755 . 18 1 1 A 77 77 SER N N 77 114.587 116.591 -2.004 1
1 756 . 18 1 1 A 78 78 TYR H H 78 9.056 8.786 0.270 1
1 757 . 18 1 1 A 78 78 TYR HA H 78 4.530 4.928 -0.398 1
1 764 . 18 1 1 A 78 78 TYR CA C 78 56.450 55.967 0.483 1
1 765 . 18 1 1 A 78 78 TYR CB C 78 43.805 41.276 2.529 1
1 770 . 18 1 1 A 78 78 TYR N N 78 127.751 119.154 8.597 1
1 771 . 18 1 1 A 79 79 ALA H H 79 8.558 8.708 -0.150 1
1 772 . 18 1 1 A 79 79 ALA HA H 79 5.233 5.286 -0.053 1
1 776 . 18 1 1 A 79 79 ALA CA C 79 50.806 49.957 0.849 1
1 777 . 18 1 1 A 79 79 ALA CB C 79 23.130 22.332 0.798 1
1 778 . 18 1 1 A 79 79 ALA N N 79 118.647 125.602 -6.955 1
1 779 . 18 1 1 A 80 80 VAL H H 80 8.717 8.763 -0.046 1
1 780 . 18 1 1 A 80 80 VAL HA H 80 4.905 4.696 0.209 1
1 788 . 18 1 1 A 80 80 VAL CA C 80 58.760 60.069 -1.309 1
1 789 . 18 1 1 A 80 80 VAL CB C 80 35.087 34.544 0.543 1
1 792 . 18 1 1 A 80 80 VAL N N 80 118.846 118.748 0.098 1
1 793 . 18 1 1 A 81 81 ILE H H 81 8.739 8.982 -0.243 1
1 794 . 18 1 1 A 81 81 ILE HA H 81 5.012 5.132 -0.120 1
1 804 . 18 1 1 A 81 81 ILE CA C 81 59.751 59.525 0.226 1
1 805 . 18 1 1 A 81 81 ILE CB C 81 42.030 40.945 1.085 1
1 809 . 18 1 1 A 81 81 ILE N N 81 126.232 130.038 -3.806 1
1 810 . 18 1 1 A 82 82 ALA H H 82 8.388 8.807 -0.419 1
1 811 . 18 1 1 A 82 82 ALA HA H 82 4.449 4.601 -0.152 1
1 815 . 18 1 1 A 82 82 ALA CA C 82 50.839 51.577 -0.738 1
1 816 . 18 1 1 A 82 82 ALA CB C 82 21.160 21.853 -0.693 1
1 817 . 18 1 1 A 82 82 ALA N N 82 128.273 126.986 1.287 1
1 818 . 18 1 1 A 83 83 GLY H H 83 8.841 8.874 -0.033 1
1 819 . 18 1 1 A 83 83 GLY HA2 H 83 3.815 3.834 -0.019 1
1 820 . 18 1 1 A 83 83 GLY HA3 H 83 3.509 3.851 -0.342 1
1 821 . 18 1 1 A 83 83 GLY CA C 83 46.917 47.261 -0.344 1
1 822 . 18 1 1 A 83 83 GLY N N 83 113.065 113.000 0.065 1
1 823 . 18 1 1 A 85 85 SER H H 85 8.423 8.006 0.417 1
1 824 . 18 1 1 A 85 85 SER HA H 85 4.659 4.969 -0.310 1
1 827 . 18 1 1 A 85 85 SER CA C 85 58.485 56.909 1.576 1
1 828 . 18 1 1 A 85 85 SER CB C 85 64.397 65.550 -1.153 1
1 829 . 18 1 1 A 85 85 SER N N 85 119.428 116.577 2.851 1
1 830 . 18 1 1 A 86 86 LYS H H 86 8.490 8.958 -0.468 1
1 831 . 18 1 1 A 86 86 LYS HA H 86 5.243 5.035 0.208 1
1 840 . 18 1 1 A 86 86 LYS CA C 86 54.822 54.889 -0.067 1
1 841 . 18 1 1 A 86 86 LYS CB C 86 35.340 34.512 0.828 1
1 845 . 18 1 1 A 86 86 LYS N N 86 125.678 126.058 -0.380 1
1 846 . 18 1 1 A 87 87 VAL H H 87 8.863 8.772 0.091 1
1 847 . 18 1 1 A 87 87 VAL HA H 87 4.300 4.707 -0.407 1
1 855 . 18 1 1 A 87 87 VAL CA C 87 60.870 60.481 0.389 1
1 856 . 18 1 1 A 87 87 VAL CB C 87 34.228 34.483 -0.255 1
1 859 . 18 1 1 A 87 87 VAL N N 87 126.631 124.704 1.927 1
1 860 . 18 1 1 A 88 88 LYS H H 88 8.475 8.940 -0.465 1
1 861 . 18 1 1 A 88 88 LYS HA H 88 5.065 5.136 -0.071 1
1 870 . 18 1 1 A 88 88 LYS CA C 88 55.124 54.561 0.563 1
1 871 . 18 1 1 A 88 88 LYS CB C 88 34.479 36.076 -1.597 1
1 874 . 18 1 1 A 88 88 LYS N N 88 125.592 123.397 2.195 1
1 875 . 18 1 1 A 89 89 PHE H H 89 8.152 8.150 0.002 1
1 876 . 18 1 1 A 89 89 PHE HA H 89 4.601 5.601 -1.000 1
1 884 . 18 1 1 A 89 89 PHE CA C 89 56.311 55.088 1.223 1
1 885 . 18 1 1 A 89 89 PHE CB C 89 39.383 41.999 -2.616 1
1 888 . 18 1 1 A 89 89 PHE N N 89 119.005 117.220 1.785 1
1 889 . 18 1 1 A 90 90 ASP H H 90 9.006 8.961 0.045 1
1 890 . 18 1 1 A 90 90 ASP HA H 90 5.565 5.426 0.139 1
1 893 . 18 1 1 A 90 90 ASP CA C 90 53.532 53.474 0.058 1
1 894 . 18 1 1 A 90 90 ASP CB C 90 45.151 43.308 1.843 1
1 895 . 18 1 1 A 90 90 ASP N N 90 118.742 119.926 -1.184 1
1 896 . 18 1 1 A 91 91 LEU H H 91 8.733 8.559 0.174 1
1 897 . 18 1 1 A 91 91 LEU HA H 91 5.137 5.170 -0.033 1
1 907 . 18 1 1 A 91 91 LEU CA C 91 54.171 53.762 0.409 1
1 908 . 18 1 1 A 91 91 LEU CB C 91 45.625 44.837 0.788 1
1 911 . 18 1 1 A 91 91 LEU N N 91 121.344 124.910 -3.566 1
1 912 . 18 1 1 A 92 92 LYS H H 92 8.892 8.731 0.161 1
1 913 . 18 1 1 A 92 92 LYS HA H 92 4.733 4.744 -0.011 1
1 922 . 18 1 1 A 92 92 LYS CA C 92 54.910 56.186 -1.276 1
1 923 . 18 1 1 A 92 92 LYS CB C 92 35.261 33.657 1.604 1
1 927 . 18 1 1 A 92 92 LYS N N 92 128.486 126.990 1.496 1
1 928 . 18 1 1 A 93 93 VAL H H 93 8.563 8.716 -0.153 1
1 929 . 18 1 1 A 93 93 VAL HA H 93 4.818 5.216 -0.398 1
1 937 . 18 1 1 A 93 93 VAL CA C 93 60.568 60.991 -0.423 1
1 938 . 18 1 1 A 93 93 VAL CB C 93 33.024 34.837 -1.813 1
1 941 . 18 1 1 A 93 93 VAL N N 93 124.459 122.363 2.096 1
1 942 . 18 1 1 A 94 94 ILE H H 94 8.395 8.880 -0.485 1
1 943 . 18 1 1 A 94 94 ILE HA H 94 4.162 4.776 -0.614 1
1 953 . 18 1 1 A 94 94 ILE CA C 94 60.238 59.582 0.656 1
1 954 . 18 1 1 A 94 94 ILE CB C 94 39.279 40.849 -1.570 1
1 958 . 18 1 1 A 94 94 ILE N N 94 126.433 126.756 -0.323 1
1 1 . 19 1 1 A 3 3 PRO HA H 3 4.235 4.570 -0.335 1
1 8 . 19 1 1 A 3 3 PRO CA C 3 63.375 62.663 0.712 1
1 9 . 19 1 1 A 3 3 PRO CB C 3 31.835 32.618 -0.783 1
1 11 . 19 1 1 A 4 4 GLY H H 4 8.439 8.358 0.081 1
1 12 . 19 1 1 A 4 4 GLY HA2 H 4 3.854 3.847 0.007 1
1 13 . 19 1 1 A 4 4 GLY HA3 H 4 3.819 3.847 -0.028 1
1 14 . 19 1 1 A 4 4 GLY CA C 4 45.043 46.952 -1.909 1
1 15 . 19 1 1 A 4 4 GLY N N 4 108.904 108.091 0.813 1
1 16 . 19 1 1 A 5 5 LYS H H 5 7.974 7.541 0.433 1
1 17 . 19 1 1 A 5 5 LYS HA H 5 4.265 4.810 -0.545 1
1 26 . 19 1 1 A 5 5 LYS CA C 5 55.709 54.372 1.337 1
1 27 . 19 1 1 A 5 5 LYS CB C 5 33.081 35.157 -2.076 1
1 31 . 19 1 1 A 5 5 LYS N N 5 120.616 119.044 1.572 1
1 32 . 19 1 1 A 6 6 LYS H H 6 8.291 8.260 0.031 1
1 33 . 19 1 1 A 6 6 LYS HA H 6 4.505 4.547 -0.042 1
1 36 . 19 1 1 A 6 6 LYS CA C 6 54.105 54.636 -0.531 1
1 37 . 19 1 1 A 6 6 LYS CB C 6 32.381 31.447 0.934 1
1 38 . 19 1 1 A 6 6 LYS N N 6 124.267 122.853 1.414 1
1 39 . 19 1 1 A 7 7 PRO HA H 7 4.371 4.455 -0.084 1
1 46 . 19 1 1 A 7 7 PRO CA C 7 62.738 62.867 -0.129 1
1 47 . 19 1 1 A 7 7 PRO CB C 7 31.942 32.045 -0.103 1
1 50 . 19 1 1 A 8 8 VAL H H 8 8.244 8.322 -0.078 1
1 51 . 19 1 1 A 8 8 VAL HA H 8 4.012 3.956 0.056 1
1 59 . 19 1 1 A 8 8 VAL CA C 8 61.883 62.178 -0.295 1
1 60 . 19 1 1 A 8 8 VAL CB C 8 32.743 31.118 1.625 1
1 63 . 19 1 1 A 8 8 VAL N N 8 120.593 123.882 -3.289 1
1 64 . 19 1 1 A 9 9 SER H H 9 8.296 8.873 -0.577 1
1 65 . 19 1 1 A 9 9 SER HA H 9 4.315 4.582 -0.267 1
1 68 . 19 1 1 A 9 9 SER CA C 9 57.429 58.592 -1.163 1
1 69 . 19 1 1 A 9 9 SER CB C 9 63.804 63.803 0.001 1
1 70 . 19 1 1 A 9 9 SER N N 9 118.557 123.512 -4.955 1
1 71 . 19 1 1 A 10 10 ALA H H 10 8.214 8.778 -0.564 1
1 72 . 19 1 1 A 10 10 ALA HA H 10 4.069 4.656 -0.587 1
1 76 . 19 1 1 A 10 10 ALA CA C 10 53.042 51.410 1.632 1
1 77 . 19 1 1 A 10 10 ALA CB C 10 19.919 19.868 0.051 1
1 78 . 19 1 1 A 10 10 ALA N N 10 125.277 129.020 -3.743 1
1 79 . 19 1 1 A 11 11 PHE H H 11 8.238 7.330 0.908 1
1 80 . 19 1 1 A 11 11 PHE HA H 11 4.816 4.948 -0.132 1
1 88 . 19 1 1 A 11 11 PHE CA C 11 57.727 56.249 1.478 1
1 89 . 19 1 1 A 11 11 PHE CB C 11 39.854 38.913 0.941 1
1 94 . 19 1 1 A 11 11 PHE N N 11 114.771 118.293 -3.522 1
1 95 . 19 1 1 A 12 12 SER H H 12 8.809 8.841 -0.032 1
1 96 . 19 1 1 A 12 12 SER HA H 12 4.395 4.272 0.123 1
1 99 . 19 1 1 A 12 12 SER CA C 12 58.641 61.318 -2.677 1
1 100 . 19 1 1 A 12 12 SER CB C 12 63.274 63.262 0.012 1
1 101 . 19 1 1 A 12 12 SER N N 12 119.399 120.993 -1.594 1
1 102 . 19 1 1 A 13 13 LYS H H 13 7.884 7.871 0.013 1
1 103 . 19 1 1 A 13 13 LYS HA H 13 4.575 4.849 -0.274 1
1 112 . 19 1 1 A 13 13 LYS CA C 13 56.362 55.360 1.002 1
1 113 . 19 1 1 A 13 13 LYS CB C 13 35.664 35.166 0.498 1
1 114 . 19 1 1 A 13 13 LYS N N 13 121.565 119.515 2.050 1
1 115 . 19 1 1 A 14 14 LYS H H 14 8.744 8.541 0.203 1
1 116 . 19 1 1 A 14 14 LYS HA H 14 4.313 4.530 -0.217 1
1 123 . 19 1 1 A 14 14 LYS CA C 14 53.374 54.336 -0.962 1
1 124 . 19 1 1 A 14 14 LYS CB C 14 32.741 33.002 -0.261 1
1 127 . 19 1 1 A 14 14 LYS N N 14 125.096 128.129 -3.033 1
1 128 . 19 1 1 A 15 15 PRO HA H 15 4.693 4.726 -0.033 1
1 135 . 19 1 1 A 15 15 PRO CA C 15 62.248 62.833 -0.585 1
1 136 . 19 1 1 A 15 15 PRO CB C 15 31.343 31.497 -0.154 1
1 139 . 19 1 1 A 16 16 ARG H H 16 8.118 8.246 -0.128 1
1 140 . 19 1 1 A 16 16 ARG HA H 16 4.592 4.356 0.236 1
1 147 . 19 1 1 A 16 16 ARG CA C 16 53.951 55.644 -1.693 1
1 148 . 19 1 1 A 16 16 ARG CB C 16 32.456 31.087 1.369 1
1 151 . 19 1 1 A 16 16 ARG N N 16 119.622 119.288 0.334 1
1 152 . 19 1 1 A 17 17 SER H H 17 8.511 8.631 -0.120 1
1 153 . 19 1 1 A 17 17 SER HA H 17 5.281 4.698 0.583 1
1 156 . 19 1 1 A 17 17 SER CA C 17 59.888 58.437 1.451 1
1 157 . 19 1 1 A 17 17 SER CB C 17 63.405 64.619 -1.214 1
1 158 . 19 1 1 A 17 17 SER N N 17 117.935 114.645 3.290 1
1 159 . 19 1 1 A 18 18 VAL H H 18 8.389 8.658 -0.269 1
1 160 . 19 1 1 A 18 18 VAL HA H 18 4.660 4.803 -0.143 1
1 168 . 19 1 1 A 18 18 VAL CA C 18 60.004 60.527 -0.523 1
1 169 . 19 1 1 A 18 18 VAL CB C 18 36.675 35.703 0.972 1
1 172 . 19 1 1 A 18 18 VAL N N 18 117.416 122.271 -4.855 1
1 173 . 19 1 1 A 19 19 GLU H H 19 8.190 8.754 -0.564 1
1 174 . 19 1 1 A 19 19 GLU HA H 19 5.351 5.507 -0.156 1
1 179 . 19 1 1 A 19 19 GLU CA C 19 54.138 54.858 -0.720 1
1 180 . 19 1 1 A 19 19 GLU CB C 19 31.658 31.858 -0.200 1
1 181 . 19 1 1 A 19 19 GLU N N 19 124.652 123.057 1.595 1
1 182 . 19 1 1 A 20 20 VAL H H 20 8.616 8.652 -0.036 1
1 183 . 19 1 1 A 20 20 VAL HA H 20 4.491 4.799 -0.308 1
1 191 . 19 1 1 A 20 20 VAL CA C 20 59.013 59.495 -0.482 1
1 192 . 19 1 1 A 20 20 VAL CB C 20 36.048 35.371 0.677 1
1 195 . 19 1 1 A 20 20 VAL N N 20 120.245 118.998 1.247 1
1 196 . 19 1 1 A 21 21 ALA H H 21 8.375 8.658 -0.283 1
1 197 . 19 1 1 A 21 21 ALA HA H 21 4.364 4.555 -0.191 1
1 201 . 19 1 1 A 21 21 ALA CA C 21 51.307 52.013 -0.706 1
1 202 . 19 1 1 A 21 21 ALA CB C 21 18.726 18.961 -0.235 1
1 203 . 19 1 1 A 21 21 ALA N N 21 126.173 126.675 -0.502 1
1 204 . 19 1 1 A 22 22 ALA H H 22 8.287 8.393 -0.106 1
1 205 . 19 1 1 A 22 22 ALA HA H 22 3.899 3.985 -0.086 1
1 209 . 19 1 1 A 22 22 ALA CA C 22 53.104 53.989 -0.885 1
1 210 . 19 1 1 A 22 22 ALA CB C 22 17.631 18.451 -0.820 1
1 211 . 19 1 1 A 22 22 ALA N N 22 123.045 123.312 -0.267 1
1 212 . 19 1 1 A 23 23 GLY H H 23 9.862 8.843 1.019 1
1 213 . 19 1 1 A 23 23 GLY HA2 H 23 3.255 3.995 -0.740 1
1 214 . 19 1 1 A 23 23 GLY HA3 H 23 4.371 3.997 0.374 1
1 215 . 19 1 1 A 23 23 GLY CA C 23 44.741 44.983 -0.242 1
1 216 . 19 1 1 A 23 23 GLY N N 23 112.047 111.619 0.428 1
1 217 . 19 1 1 A 24 24 SER H H 24 7.944 7.863 0.081 1
1 218 . 19 1 1 A 24 24 SER HA H 24 4.750 4.538 0.212 1
1 221 . 19 1 1 A 24 24 SER CA C 24 57.787 56.226 1.561 1
1 222 . 19 1 1 A 24 24 SER CB C 24 63.296 63.818 -0.522 1
1 223 . 19 1 1 A 24 24 SER N N 24 119.405 117.980 1.425 1
1 224 . 19 1 1 A 25 25 PRO HA H 25 5.142 4.632 0.510 1
1 231 . 19 1 1 A 25 25 PRO CA C 25 61.743 62.721 -0.978 1
1 232 . 19 1 1 A 25 25 PRO CB C 25 31.751 32.090 -0.339 1
1 235 . 19 1 1 A 26 26 ALA H H 26 8.688 8.273 0.415 1
1 236 . 19 1 1 A 26 26 ALA HA H 26 4.396 4.855 -0.459 1
1 240 . 19 1 1 A 26 26 ALA CA C 26 49.972 50.635 -0.663 1
1 241 . 19 1 1 A 26 26 ALA CB C 26 22.877 21.977 0.900 1
1 242 . 19 1 1 A 26 26 ALA N N 26 123.024 124.112 -1.088 1
1 243 . 19 1 1 A 27 27 VAL H H 27 7.751 8.685 -0.934 1
1 244 . 19 1 1 A 27 27 VAL HA H 27 4.522 5.110 -0.588 1
1 252 . 19 1 1 A 27 27 VAL CA C 27 60.899 58.894 2.005 1
1 253 . 19 1 1 A 27 27 VAL CB C 27 33.331 34.955 -1.624 1
1 255 . 19 1 1 A 27 27 VAL N N 27 121.938 122.476 -0.538 1
1 256 . 19 1 1 A 28 28 PHE H H 28 9.196 9.017 0.179 1
1 257 . 19 1 1 A 28 28 PHE HA H 28 4.561 5.149 -0.588 1
1 265 . 19 1 1 A 28 28 PHE CA C 28 56.051 56.172 -0.121 1
1 266 . 19 1 1 A 28 28 PHE CB C 28 42.218 42.345 -0.127 1
1 271 . 19 1 1 A 28 28 PHE N N 28 126.818 126.167 0.651 1
1 272 . 19 1 1 A 29 29 GLU H H 29 8.583 9.080 -0.497 1
1 273 . 19 1 1 A 29 29 GLU HA H 29 5.405 5.066 0.339 1
1 278 . 19 1 1 A 29 29 GLU CA C 29 54.508 55.571 -1.063 1
1 279 . 19 1 1 A 29 29 GLU CB C 29 33.692 31.520 2.172 1
1 280 . 19 1 1 A 29 29 GLU N N 29 120.733 124.092 -3.359 1
1 281 . 19 1 1 A 30 30 ALA H H 30 9.484 9.720 -0.236 1
1 282 . 19 1 1 A 30 30 ALA HA H 30 4.691 5.383 -0.692 1
1 286 . 19 1 1 A 30 30 ALA CA C 30 49.421 50.757 -1.336 1
1 287 . 19 1 1 A 30 30 ALA CB C 30 23.523 21.829 1.694 1
1 288 . 19 1 1 A 30 30 ALA N N 30 124.341 129.313 -4.972 1
1 289 . 19 1 1 A 31 31 GLU H H 31 9.001 9.473 -0.472 1
1 290 . 19 1 1 A 31 31 GLU HA H 31 6.016 5.193 0.823 1
1 295 . 19 1 1 A 31 31 GLU CA C 31 54.301 55.343 -1.042 1
1 296 . 19 1 1 A 31 31 GLU CB C 31 33.336 32.184 1.152 1
1 298 . 19 1 1 A 31 31 GLU N N 31 120.169 124.103 -3.934 1
1 299 . 19 1 1 A 32 32 THR H H 32 9.330 8.958 0.372 1
1 300 . 19 1 1 A 32 32 THR HA H 32 4.842 4.418 0.424 1
1 305 . 19 1 1 A 32 32 THR CA C 32 59.738 59.851 -0.113 1
1 306 . 19 1 1 A 32 32 THR CB C 32 69.791 71.249 -1.458 1
1 308 . 19 1 1 A 32 32 THR N N 32 115.538 116.306 -0.768 1
1 309 . 19 1 1 A 33 33 GLU H H 33 7.950 8.791 -0.841 1
1 310 . 19 1 1 A 33 33 GLU HA H 33 3.944 4.456 -0.512 1
1 315 . 19 1 1 A 33 33 GLU CA C 33 58.563 57.174 1.389 1
1 316 . 19 1 1 A 33 33 GLU CB C 33 29.836 30.048 -0.212 1
1 318 . 19 1 1 A 33 33 GLU N N 33 119.723 121.948 -2.225 1
1 319 . 19 1 1 A 34 34 ARG H H 34 7.791 7.513 0.278 1
1 320 . 19 1 1 A 34 34 ARG HA H 34 4.490 4.841 -0.351 1
1 327 . 19 1 1 A 34 34 ARG CA C 34 53.485 54.889 -1.404 1
1 328 . 19 1 1 A 34 34 ARG CB C 34 32.411 33.950 -1.539 1
1 331 . 19 1 1 A 34 34 ARG N N 34 113.251 119.386 -6.135 1
1 332 . 19 1 1 A 35 35 ALA H H 35 8.614 8.462 0.152 1
1 333 . 19 1 1 A 35 35 ALA HA H 35 4.050 4.582 -0.532 1
1 337 . 19 1 1 A 35 35 ALA CA C 35 51.762 51.242 0.520 1
1 338 . 19 1 1 A 35 35 ALA N N 35 125.041 125.217 -0.176 1
1 339 . 19 1 1 A 36 36 GLY H H 36 8.647 8.874 -0.227 1
1 340 . 19 1 1 A 36 36 GLY HA2 H 36 3.634 3.985 -0.351 1
1 341 . 19 1 1 A 36 36 GLY HA3 H 36 3.960 3.993 -0.033 1
1 342 . 19 1 1 A 36 36 GLY CA C 36 45.703 45.298 0.405 1
1 343 . 19 1 1 A 36 36 GLY N N 36 108.031 110.028 -1.997 1
1 344 . 19 1 1 A 37 37 VAL H H 37 7.077 7.858 -0.781 1
1 345 . 19 1 1 A 37 37 VAL HA H 37 3.869 4.196 -0.327 1
1 353 . 19 1 1 A 37 37 VAL CA C 37 61.469 61.923 -0.454 1
1 354 . 19 1 1 A 37 37 VAL CB C 37 32.942 32.757 0.185 1
1 357 . 19 1 1 A 37 37 VAL N N 37 119.457 119.324 0.133 1
1 358 . 19 1 1 A 38 38 LYS H H 38 8.467 8.489 -0.022 1
1 359 . 19 1 1 A 38 38 LYS HA H 38 4.267 4.900 -0.633 1
1 366 . 19 1 1 A 38 38 LYS CA C 38 55.873 55.183 0.690 1
1 367 . 19 1 1 A 38 38 LYS CB C 38 30.881 34.404 -3.523 1
1 370 . 19 1 1 A 38 38 LYS N N 38 128.214 124.034 4.180 1
1 371 . 19 1 1 A 39 39 VAL H H 39 7.993 7.861 0.132 1
1 372 . 19 1 1 A 39 39 VAL HA H 39 4.537 4.054 0.483 1
1 380 . 19 1 1 A 39 39 VAL CA C 39 60.114 62.102 -1.988 1
1 381 . 19 1 1 A 39 39 VAL CB C 39 33.719 31.467 2.252 1
1 384 . 19 1 1 A 39 39 VAL N N 39 123.133 124.049 -0.916 1
1 385 . 19 1 1 A 40 40 ARG H H 40 8.507 8.833 -0.326 1
1 386 . 19 1 1 A 40 40 ARG HA H 40 4.503 4.913 -0.410 1
1 393 . 19 1 1 A 40 40 ARG CA C 40 54.098 55.140 -1.042 1
1 394 . 19 1 1 A 40 40 ARG CB C 40 33.701 31.422 2.279 1
1 397 . 19 1 1 A 40 40 ARG N N 40 124.492 128.050 -3.558 1
1 398 . 19 1 1 A 41 41 TRP H H 41 9.083 8.983 0.100 1
1 399 . 19 1 1 A 41 41 TRP HA H 41 5.311 5.400 -0.089 1
1 408 . 19 1 1 A 41 41 TRP CA C 41 55.134 55.952 -0.818 1
1 409 . 19 1 1 A 41 41 TRP CB C 41 31.370 32.800 -1.430 1
1 413 . 19 1 1 A 41 41 TRP N N 41 123.367 126.151 -2.784 1
1 415 . 19 1 1 A 42 42 GLN H H 42 9.532 9.189 0.343 1
1 416 . 19 1 1 A 42 42 GLN HA H 42 5.159 4.835 0.324 1
1 423 . 19 1 1 A 42 42 GLN CA C 42 54.445 54.428 0.017 1
1 424 . 19 1 1 A 42 42 GLN CB C 42 34.775 32.805 1.970 1
1 426 . 19 1 1 A 42 42 GLN N N 42 118.692 122.520 -3.828 1
1 427 . 19 1 1 A 43 43 ARG H H 43 8.209 8.886 -0.677 1
1 428 . 19 1 1 A 43 43 ARG HA H 43 4.039 4.148 -0.109 1
1 435 . 19 1 1 A 43 43 ARG CA C 43 54.790 54.610 0.180 1
1 436 . 19 1 1 A 43 43 ARG CB C 43 32.202 31.377 0.825 1
1 439 . 19 1 1 A 43 43 ARG N N 43 119.579 126.626 -7.047 1
1 440 . 19 1 1 A 46 46 SER H H 46 7.513 7.248 0.265 1
1 441 . 19 1 1 A 46 46 SER HA H 46 4.674 4.458 0.216 1
1 444 . 19 1 1 A 46 46 SER CA C 46 56.766 58.416 -1.650 1
1 445 . 19 1 1 A 46 46 SER CB C 46 64.815 64.561 0.254 1
1 446 . 19 1 1 A 46 46 SER N N 46 114.927 114.218 0.709 1
1 447 . 19 1 1 A 47 47 ASP H H 47 8.698 8.484 0.214 1
1 448 . 19 1 1 A 47 47 ASP HA H 47 4.830 4.870 -0.040 1
1 451 . 19 1 1 A 47 47 ASP CA C 47 55.177 53.602 1.575 1
1 452 . 19 1 1 A 47 47 ASP CB C 47 40.385 41.549 -1.164 1
1 453 . 19 1 1 A 47 47 ASP N N 47 125.553 122.751 2.802 1
1 454 . 19 1 1 A 48 48 ILE H H 48 8.781 8.604 0.177 1
1 455 . 19 1 1 A 48 48 ILE HA H 48 3.879 4.632 -0.753 1
1 465 . 19 1 1 A 48 48 ILE CA C 48 61.218 59.846 1.372 1
1 466 . 19 1 1 A 48 48 ILE CB C 48 39.345 40.030 -0.685 1
1 470 . 19 1 1 A 48 48 ILE N N 48 124.032 122.533 1.499 1
1 471 . 19 1 1 A 49 49 SER H H 49 7.963 8.548 -0.585 1
1 472 . 19 1 1 A 49 49 SER HA H 49 4.681 4.836 -0.155 1
1 475 . 19 1 1 A 49 49 SER CA C 49 56.256 57.890 -1.634 1
1 476 . 19 1 1 A 49 49 SER CB C 49 65.243 66.753 -1.510 1
1 477 . 19 1 1 A 49 49 SER N N 49 121.077 120.175 0.902 1
1 478 . 19 1 1 A 50 50 ALA H H 50 8.516 8.388 0.128 1
1 479 . 19 1 1 A 50 50 ALA HA H 50 4.302 4.361 -0.059 1
1 483 . 19 1 1 A 50 50 ALA CA C 50 53.052 52.999 0.053 1
1 484 . 19 1 1 A 50 50 ALA CB C 50 18.821 18.196 0.625 1
1 485 . 19 1 1 A 50 50 ALA N N 50 123.977 127.863 -3.886 1
1 486 . 19 1 1 A 51 51 SER H H 51 9.564 8.649 0.915 1
1 487 . 19 1 1 A 51 51 SER HA H 51 4.797 4.927 -0.130 1
1 490 . 19 1 1 A 51 51 SER CA C 51 56.946 57.340 -0.394 1
1 491 . 19 1 1 A 51 51 SER CB C 51 65.759 65.866 -0.107 1
1 492 . 19 1 1 A 51 51 SER N N 51 117.545 118.134 -0.589 1
1 494 . 19 1 1 A 52 52 ASN CA C 52 55.930 54.075 1.855 1
1 495 . 19 1 1 A 52 52 ASN CB C 52 37.045 38.400 -1.355 1
1 496 . 19 1 1 A 53 53 LYS H H 53 8.053 8.860 -0.807 1
1 497 . 19 1 1 A 53 53 LYS HA H 53 3.995 3.941 0.054 1
1 506 . 19 1 1 A 53 53 LYS CA C 53 53.699 57.766 -4.067 1
1 507 . 19 1 1 A 53 53 LYS CB C 53 33.687 31.994 1.693 1
1 511 . 19 1 1 A 53 53 LYS N N 53 121.638 123.362 -1.724 1
1 512 . 19 1 1 A 54 54 TYR H H 54 6.779 7.861 -1.082 1
1 513 . 19 1 1 A 54 54 TYR HA H 54 5.484 5.279 0.205 1
1 520 . 19 1 1 A 54 54 TYR CA C 54 55.016 56.472 -1.456 1
1 521 . 19 1 1 A 54 54 TYR CB C 54 40.147 43.516 -3.369 1
1 526 . 19 1 1 A 54 54 TYR N N 54 114.754 118.492 -3.738 1
1 527 . 19 1 1 A 55 55 GLY H H 55 9.666 8.649 1.017 1
1 528 . 19 1 1 A 55 55 GLY HA2 H 55 4.653 4.241 0.412 1
1 529 . 19 1 1 A 55 55 GLY HA3 H 55 3.343 4.255 -0.912 1
1 530 . 19 1 1 A 55 55 GLY CA C 55 44.332 45.588 -1.256 1
1 531 . 19 1 1 A 55 55 GLY N N 55 110.691 108.575 2.116 1
1 532 . 19 1 1 A 56 56 LEU H H 56 8.542 8.857 -0.315 1
1 533 . 19 1 1 A 56 56 LEU HA H 56 5.138 4.972 0.166 1
1 543 . 19 1 1 A 56 56 LEU CA C 56 54.213 53.386 0.827 1
1 544 . 19 1 1 A 56 56 LEU CB C 56 45.206 45.595 -0.389 1
1 548 . 19 1 1 A 56 56 LEU N N 56 125.972 124.951 1.021 1
1 549 . 19 1 1 A 57 57 ALA H H 57 8.594 8.943 -0.349 1
1 550 . 19 1 1 A 57 57 ALA HA H 57 4.790 4.925 -0.135 1
1 554 . 19 1 1 A 57 57 ALA CA C 57 51.318 50.960 0.358 1
1 555 . 19 1 1 A 57 57 ALA CB C 57 22.564 20.593 1.971 1
1 556 . 19 1 1 A 57 57 ALA N N 57 124.534 125.008 -0.474 1
1 557 . 19 1 1 A 58 58 THR H H 58 8.602 9.022 -0.420 1
1 558 . 19 1 1 A 58 58 THR HA H 58 4.862 4.831 0.031 1
1 563 . 19 1 1 A 58 58 THR CA C 58 62.034 60.309 1.725 1
1 564 . 19 1 1 A 58 58 THR CB C 58 72.197 71.343 0.854 1
1 566 . 19 1 1 A 58 58 THR N N 58 119.396 119.048 0.348 1
1 567 . 19 1 1 A 59 59 GLU H H 59 8.883 8.497 0.386 1
1 568 . 19 1 1 A 59 59 GLU HA H 59 4.378 4.567 -0.189 1
1 573 . 19 1 1 A 59 59 GLU CA C 59 54.955 55.154 -0.199 1
1 574 . 19 1 1 A 59 59 GLU CB C 59 31.121 31.160 -0.039 1
1 576 . 19 1 1 A 59 59 GLU N N 59 128.594 127.148 1.446 1
1 577 . 19 1 1 A 60 60 GLY H H 60 9.045 8.908 0.137 1
1 578 . 19 1 1 A 60 60 GLY HA2 H 60 4.081 3.850 0.231 1
1 579 . 19 1 1 A 60 60 GLY HA3 H 60 3.529 3.851 -0.322 1
1 580 . 19 1 1 A 60 60 GLY CA C 60 47.127 47.209 -0.082 1
1 581 . 19 1 1 A 60 60 GLY N N 60 117.047 116.334 0.713 1
1 582 . 19 1 1 A 61 61 THR H H 61 8.332 8.577 -0.245 1
1 583 . 19 1 1 A 61 61 THR HA H 61 4.129 4.572 -0.443 1
1 588 . 19 1 1 A 61 61 THR CA C 61 61.659 61.551 0.108 1
1 589 . 19 1 1 A 61 61 THR CB C 61 68.477 69.096 -0.619 1
1 591 . 19 1 1 A 61 61 THR N N 61 118.086 118.860 -0.774 1
1 592 . 19 1 1 A 62 62 ARG H H 62 7.906 7.294 0.612 1
1 593 . 19 1 1 A 62 62 ARG HA H 62 4.754 5.070 -0.316 1
1 600 . 19 1 1 A 62 62 ARG CA C 62 56.040 54.338 1.702 1
1 601 . 19 1 1 A 62 62 ARG CB C 62 31.775 33.761 -1.986 1
1 604 . 19 1 1 A 62 62 ARG N N 62 121.911 121.498 0.413 1
1 605 . 19 1 1 A 63 63 HIS H H 63 9.212 9.275 -0.063 1
1 606 . 19 1 1 A 63 63 HIS HA H 63 5.364 5.188 0.176 1
1 611 . 19 1 1 A 63 63 HIS CA C 63 55.066 54.642 0.424 1
1 612 . 19 1 1 A 63 63 HIS CB C 63 33.860 33.026 0.834 1
1 614 . 19 1 1 A 63 63 HIS N N 63 127.111 120.025 7.086 1
1 615 . 19 1 1 A 64 64 THR H H 64 9.261 9.364 -0.103 1
1 616 . 19 1 1 A 64 64 THR HA H 64 5.510 5.217 0.293 1
1 621 . 19 1 1 A 64 64 THR CA C 64 60.691 62.089 -1.398 1
1 622 . 19 1 1 A 64 64 THR CB C 64 71.788 69.897 1.891 1
1 624 . 19 1 1 A 64 64 THR N N 64 117.400 118.531 -1.131 1
1 625 . 19 1 1 A 65 65 LEU H H 65 8.456 8.857 -0.401 1
1 626 . 19 1 1 A 65 65 LEU HA H 65 4.642 4.753 -0.111 1
1 636 . 19 1 1 A 65 65 LEU CA C 65 52.783 53.234 -0.451 1
1 637 . 19 1 1 A 65 65 LEU CB C 65 41.350 43.140 -1.790 1
1 641 . 19 1 1 A 65 65 LEU N N 65 129.806 129.881 -0.075 1
1 642 . 19 1 1 A 66 66 THR H H 66 9.381 8.964 0.417 1
1 643 . 19 1 1 A 66 66 THR HA H 66 4.975 4.848 0.127 1
1 648 . 19 1 1 A 66 66 THR CA C 66 61.072 61.975 -0.903 1
1 649 . 19 1 1 A 66 66 THR CB C 66 70.346 70.212 0.134 1
1 651 . 19 1 1 A 66 66 THR N N 66 123.110 124.043 -0.933 1
1 652 . 19 1 1 A 67 67 VAL H H 67 9.493 8.844 0.649 1
1 653 . 19 1 1 A 67 67 VAL HA H 67 4.317 4.720 -0.403 1
1 661 . 19 1 1 A 67 67 VAL CA C 67 61.300 60.025 1.275 1
1 662 . 19 1 1 A 67 67 VAL CB C 67 31.636 35.294 -3.658 1
1 665 . 19 1 1 A 67 67 VAL N N 67 128.451 125.808 2.643 1
1 666 . 19 1 1 A 68 68 ARG H H 68 8.500 8.787 -0.287 1
1 667 . 19 1 1 A 68 68 ARG HA H 68 3.839 4.339 -0.500 1
1 674 . 19 1 1 A 68 68 ARG CA C 68 57.379 56.715 0.664 1
1 675 . 19 1 1 A 68 68 ARG CB C 68 30.481 30.471 0.010 1
1 678 . 19 1 1 A 68 68 ARG N N 68 124.308 128.333 -4.025 1
1 679 . 19 1 1 A 69 69 GLU H H 69 8.545 8.027 0.518 1
1 680 . 19 1 1 A 69 69 GLU HA H 69 3.147 4.057 -0.910 1
1 685 . 19 1 1 A 69 69 GLU CA C 69 55.733 58.497 -2.764 1
1 686 . 19 1 1 A 69 69 GLU CB C 69 28.793 29.664 -0.871 1
1 688 . 19 1 1 A 69 69 GLU N N 69 118.177 119.536 -1.359 1
1 689 . 19 1 1 A 70 70 VAL H H 70 7.771 7.281 0.490 1
1 690 . 19 1 1 A 70 70 VAL HA H 70 3.810 4.108 -0.298 1
1 698 . 19 1 1 A 70 70 VAL CA C 70 63.848 62.670 1.178 1
1 699 . 19 1 1 A 70 70 VAL CB C 70 31.885 32.365 -0.480 1
1 702 . 19 1 1 A 70 70 VAL N N 70 117.579 119.449 -1.870 1
1 703 . 19 1 1 A 71 71 GLY H H 71 9.389 8.303 1.086 1
1 704 . 19 1 1 A 71 71 GLY HA2 H 71 4.470 4.217 0.253 1
1 705 . 19 1 1 A 71 71 GLY HA3 H 71 3.895 4.222 -0.327 1
1 706 . 19 1 1 A 71 71 GLY CA C 71 43.915 45.535 -1.620 1
1 707 . 19 1 1 A 71 71 GLY N N 71 114.169 114.020 0.149 1
1 708 . 19 1 1 A 72 72 PRO HA H 72 4.038 4.445 -0.407 1
1 715 . 19 1 1 A 72 72 PRO CA C 72 65.800 64.629 1.171 1
1 716 . 19 1 1 A 72 72 PRO CB C 72 31.553 31.785 -0.232 1
1 719 . 19 1 1 A 73 73 ALA H H 73 8.558 8.286 0.272 1
1 720 . 19 1 1 A 73 73 ALA HA H 73 4.186 4.300 -0.114 1
1 724 . 19 1 1 A 73 73 ALA CA C 73 53.826 53.482 0.344 1
1 725 . 19 1 1 A 73 73 ALA CB C 73 18.152 19.042 -0.890 1
1 726 . 19 1 1 A 73 73 ALA N N 73 118.164 119.932 -1.768 1
1 727 . 19 1 1 A 74 74 ASP H H 74 8.381 7.731 0.650 1
1 728 . 19 1 1 A 74 74 ASP HA H 74 4.586 4.687 -0.101 1
1 731 . 19 1 1 A 74 74 ASP CA C 74 55.178 54.115 1.063 1
1 732 . 19 1 1 A 74 74 ASP CB C 74 42.280 42.364 -0.084 1
1 733 . 19 1 1 A 74 74 ASP N N 74 113.856 117.138 -3.282 1
1 734 . 19 1 1 A 75 75 GLN H H 75 7.409 7.314 0.095 1
1 735 . 19 1 1 A 75 75 GLN HA H 75 4.252 4.311 -0.059 1
1 740 . 19 1 1 A 75 75 GLN CA C 75 56.682 56.643 0.039 1
1 741 . 19 1 1 A 75 75 GLN CB C 75 30.337 28.756 1.581 1
1 743 . 19 1 1 A 75 75 GLN N N 75 119.456 118.258 1.198 1
1 744 . 19 1 1 A 76 76 GLY H H 76 8.984 8.366 0.618 1
1 745 . 19 1 1 A 76 76 GLY HA2 H 76 4.610 4.254 0.356 1
1 746 . 19 1 1 A 76 76 GLY HA3 H 76 3.863 4.267 -0.404 1
1 747 . 19 1 1 A 76 76 GLY CA C 76 44.149 46.278 -2.129 1
1 748 . 19 1 1 A 76 76 GLY N N 76 112.000 110.346 1.654 1
1 749 . 19 1 1 A 77 77 SER H H 77 8.106 8.615 -0.509 1
1 750 . 19 1 1 A 77 77 SER HA H 77 5.009 5.383 -0.374 1
1 753 . 19 1 1 A 77 77 SER CA C 77 58.199 56.387 1.812 1
1 754 . 19 1 1 A 77 77 SER CB C 77 64.099 66.273 -2.174 1
1 755 . 19 1 1 A 77 77 SER N N 77 114.587 116.580 -1.993 1
1 756 . 19 1 1 A 78 78 TYR H H 78 9.056 8.863 0.193 1
1 757 . 19 1 1 A 78 78 TYR HA H 78 4.530 4.957 -0.427 1
1 764 . 19 1 1 A 78 78 TYR CA C 78 56.450 56.065 0.385 1
1 765 . 19 1 1 A 78 78 TYR CB C 78 43.805 40.663 3.142 1
1 770 . 19 1 1 A 78 78 TYR N N 78 127.751 119.831 7.920 1
1 771 . 19 1 1 A 79 79 ALA H H 79 8.558 8.676 -0.118 1
1 772 . 19 1 1 A 79 79 ALA HA H 79 5.233 5.325 -0.092 1
1 776 . 19 1 1 A 79 79 ALA CA C 79 50.806 49.881 0.925 1
1 777 . 19 1 1 A 79 79 ALA CB C 79 23.130 22.498 0.632 1
1 778 . 19 1 1 A 79 79 ALA N N 79 118.647 125.864 -7.217 1
1 779 . 19 1 1 A 80 80 VAL H H 80 8.717 8.541 0.176 1
1 780 . 19 1 1 A 80 80 VAL HA H 80 4.905 4.599 0.306 1
1 788 . 19 1 1 A 80 80 VAL CA C 80 58.760 60.097 -1.337 1
1 789 . 19 1 1 A 80 80 VAL CB C 80 35.087 34.672 0.415 1
1 792 . 19 1 1 A 80 80 VAL N N 80 118.846 118.326 0.520 1
1 793 . 19 1 1 A 81 81 ILE H H 81 8.739 8.938 -0.199 1
1 794 . 19 1 1 A 81 81 ILE HA H 81 5.012 5.169 -0.157 1
1 804 . 19 1 1 A 81 81 ILE CA C 81 59.751 59.714 0.037 1
1 805 . 19 1 1 A 81 81 ILE CB C 81 42.030 41.073 0.957 1
1 809 . 19 1 1 A 81 81 ILE N N 81 126.232 130.167 -3.935 1
1 810 . 19 1 1 A 82 82 ALA H H 82 8.388 8.658 -0.270 1
1 811 . 19 1 1 A 82 82 ALA HA H 82 4.449 4.548 -0.099 1
1 815 . 19 1 1 A 82 82 ALA CA C 82 50.839 51.095 -0.256 1
1 816 . 19 1 1 A 82 82 ALA CB C 82 21.160 20.319 0.841 1
1 817 . 19 1 1 A 82 82 ALA N N 82 128.273 127.368 0.905 1
1 818 . 19 1 1 A 83 83 GLY H H 83 8.841 8.958 -0.117 1
1 819 . 19 1 1 A 83 83 GLY HA2 H 83 3.815 3.837 -0.022 1
1 820 . 19 1 1 A 83 83 GLY HA3 H 83 3.509 3.844 -0.335 1
1 821 . 19 1 1 A 83 83 GLY CA C 83 46.917 47.282 -0.365 1
1 822 . 19 1 1 A 83 83 GLY N N 83 113.065 115.547 -2.482 1
1 823 . 19 1 1 A 85 85 SER H H 85 8.423 7.342 1.081 1
1 824 . 19 1 1 A 85 85 SER HA H 85 4.659 4.497 0.162 1
1 827 . 19 1 1 A 85 85 SER CA C 85 58.485 58.381 0.104 1
1 828 . 19 1 1 A 85 85 SER CB C 85 64.397 64.207 0.190 1
1 829 . 19 1 1 A 85 85 SER N N 85 119.428 116.768 2.660 1
1 830 . 19 1 1 A 86 86 LYS H H 86 8.490 8.575 -0.085 1
1 831 . 19 1 1 A 86 86 LYS HA H 86 5.243 5.074 0.169 1
1 840 . 19 1 1 A 86 86 LYS CA C 86 54.822 54.707 0.115 1
1 841 . 19 1 1 A 86 86 LYS CB C 86 35.340 35.685 -0.345 1
1 845 . 19 1 1 A 86 86 LYS N N 86 125.678 126.018 -0.340 1
1 846 . 19 1 1 A 87 87 VAL H H 87 8.863 8.503 0.360 1
1 847 . 19 1 1 A 87 87 VAL HA H 87 4.300 4.765 -0.465 1
1 855 . 19 1 1 A 87 87 VAL CA C 87 60.870 58.708 2.162 1
1 856 . 19 1 1 A 87 87 VAL CB C 87 34.228 35.257 -1.029 1
1 859 . 19 1 1 A 87 87 VAL N N 87 126.631 120.165 6.466 1
1 860 . 19 1 1 A 88 88 LYS H H 88 8.475 8.936 -0.461 1
1 861 . 19 1 1 A 88 88 LYS HA H 88 5.065 4.951 0.114 1
1 870 . 19 1 1 A 88 88 LYS CA C 88 55.124 54.442 0.682 1
1 871 . 19 1 1 A 88 88 LYS CB C 88 34.479 36.172 -1.693 1
1 874 . 19 1 1 A 88 88 LYS N N 88 125.592 121.542 4.050 1
1 875 . 19 1 1 A 89 89 PHE H H 89 8.152 8.272 -0.120 1
1 876 . 19 1 1 A 89 89 PHE HA H 89 4.601 5.645 -1.044 1
1 884 . 19 1 1 A 89 89 PHE CA C 89 56.311 55.135 1.176 1
1 885 . 19 1 1 A 89 89 PHE CB C 89 39.383 42.292 -2.909 1
1 888 . 19 1 1 A 89 89 PHE N N 89 119.005 116.923 2.082 1
1 889 . 19 1 1 A 90 90 ASP H H 90 9.006 9.006 0.000 1
1 890 . 19 1 1 A 90 90 ASP HA H 90 5.565 5.189 0.376 1
1 893 . 19 1 1 A 90 90 ASP CA C 90 53.532 54.077 -0.545 1
1 894 . 19 1 1 A 90 90 ASP CB C 90 45.151 42.820 2.331 1
1 895 . 19 1 1 A 90 90 ASP N N 90 118.742 119.998 -1.256 1
1 896 . 19 1 1 A 91 91 LEU H H 91 8.733 9.077 -0.344 1
1 897 . 19 1 1 A 91 91 LEU HA H 91 5.137 5.235 -0.098 1
1 907 . 19 1 1 A 91 91 LEU CA C 91 54.171 53.720 0.451 1
1 908 . 19 1 1 A 91 91 LEU CB C 91 45.625 44.830 0.795 1
1 911 . 19 1 1 A 91 91 LEU N N 91 121.344 126.192 -4.848 1
1 912 . 19 1 1 A 92 92 LYS H H 92 8.892 8.892 0.000 1
1 913 . 19 1 1 A 92 92 LYS HA H 92 4.733 4.743 -0.010 1
1 922 . 19 1 1 A 92 92 LYS CA C 92 54.910 56.170 -1.260 1
1 923 . 19 1 1 A 92 92 LYS CB C 92 35.261 34.169 1.092 1
1 927 . 19 1 1 A 92 92 LYS N N 92 128.486 127.038 1.448 1
1 928 . 19 1 1 A 93 93 VAL H H 93 8.563 8.806 -0.243 1
1 929 . 19 1 1 A 93 93 VAL HA H 93 4.818 5.208 -0.390 1
1 937 . 19 1 1 A 93 93 VAL CA C 93 60.568 60.128 0.440 1
1 938 . 19 1 1 A 93 93 VAL CB C 93 33.024 34.626 -1.602 1
1 941 . 19 1 1 A 93 93 VAL N N 93 124.459 120.499 3.960 1
1 942 . 19 1 1 A 94 94 ILE H H 94 8.395 8.913 -0.518 1
1 943 . 19 1 1 A 94 94 ILE HA H 94 4.162 4.317 -0.155 1
1 953 . 19 1 1 A 94 94 ILE CA C 94 60.238 60.412 -0.174 1
1 954 . 19 1 1 A 94 94 ILE CB C 94 39.279 37.852 1.427 1
1 958 . 19 1 1 A 94 94 ILE N N 94 126.433 128.934 -2.501 1
1 1 . 20 1 1 A 3 3 PRO HA H 3 4.235 4.562 -0.327 1
1 8 . 20 1 1 A 3 3 PRO CA C 3 63.375 62.403 0.972 1
1 9 . 20 1 1 A 3 3 PRO CB C 3 31.835 32.903 -1.068 1
1 11 . 20 1 1 A 4 4 GLY H H 4 8.439 7.952 0.487 1
1 12 . 20 1 1 A 4 4 GLY HA2 H 4 3.854 3.839 0.015 1
1 13 . 20 1 1 A 4 4 GLY HA3 H 4 3.819 3.840 -0.021 1
1 14 . 20 1 1 A 4 4 GLY CA C 4 45.043 47.316 -2.273 1
1 15 . 20 1 1 A 4 4 GLY N N 4 108.904 106.723 2.181 1
1 16 . 20 1 1 A 5 5 LYS H H 5 7.974 7.800 0.174 1
1 17 . 20 1 1 A 5 5 LYS HA H 5 4.265 4.723 -0.458 1
1 26 . 20 1 1 A 5 5 LYS CA C 5 55.709 54.803 0.906 1
1 27 . 20 1 1 A 5 5 LYS CB C 5 33.081 35.382 -2.301 1
1 31 . 20 1 1 A 5 5 LYS N N 5 120.616 118.981 1.635 1
1 32 . 20 1 1 A 6 6 LYS H H 6 8.291 8.407 -0.116 1
1 33 . 20 1 1 A 6 6 LYS HA H 6 4.505 4.336 0.169 1
1 36 . 20 1 1 A 6 6 LYS CA C 6 54.105 55.291 -1.186 1
1 37 . 20 1 1 A 6 6 LYS CB C 6 32.381 32.428 -0.047 1
1 38 . 20 1 1 A 6 6 LYS N N 6 124.267 123.505 0.762 1
1 39 . 20 1 1 A 7 7 PRO HA H 7 4.371 4.458 -0.087 1
1 46 . 20 1 1 A 7 7 PRO CA C 7 62.738 62.911 -0.173 1
1 47 . 20 1 1 A 7 7 PRO CB C 7 31.942 32.083 -0.141 1
1 50 . 20 1 1 A 8 8 VAL H H 8 8.244 8.297 -0.053 1
1 51 . 20 1 1 A 8 8 VAL HA H 8 4.012 4.005 0.007 1
1 59 . 20 1 1 A 8 8 VAL CA C 8 61.883 62.340 -0.457 1
1 60 . 20 1 1 A 8 8 VAL CB C 8 32.743 30.721 2.022 1
1 63 . 20 1 1 A 8 8 VAL N N 8 120.593 123.498 -2.905 1
1 64 . 20 1 1 A 9 9 SER H H 9 8.296 8.645 -0.349 1
1 65 . 20 1 1 A 9 9 SER HA H 9 4.315 4.949 -0.634 1
1 68 . 20 1 1 A 9 9 SER CA C 9 57.429 55.751 1.678 1
1 69 . 20 1 1 A 9 9 SER CB C 9 63.804 65.980 -2.176 1
1 70 . 20 1 1 A 9 9 SER N N 9 118.557 122.661 -4.104 1
1 71 . 20 1 1 A 10 10 ALA H H 10 8.214 8.541 -0.327 1
1 72 . 20 1 1 A 10 10 ALA HA H 10 4.069 4.549 -0.480 1
1 76 . 20 1 1 A 10 10 ALA CA C 10 53.042 51.772 1.270 1
1 77 . 20 1 1 A 10 10 ALA CB C 10 19.919 19.538 0.381 1
1 78 . 20 1 1 A 10 10 ALA N N 10 125.277 124.859 0.418 1
1 79 . 20 1 1 A 11 11 PHE H H 11 8.238 7.789 0.449 1
1 80 . 20 1 1 A 11 11 PHE HA H 11 4.816 4.938 -0.122 1
1 88 . 20 1 1 A 11 11 PHE CA C 11 57.727 56.206 1.521 1
1 89 . 20 1 1 A 11 11 PHE CB C 11 39.854 38.690 1.164 1
1 94 . 20 1 1 A 11 11 PHE N N 11 114.771 118.092 -3.321 1
1 95 . 20 1 1 A 12 12 SER H H 12 8.809 8.889 -0.080 1
1 96 . 20 1 1 A 12 12 SER HA H 12 4.395 4.253 0.142 1
1 99 . 20 1 1 A 12 12 SER CA C 12 58.641 61.548 -2.907 1
1 100 . 20 1 1 A 12 12 SER CB C 12 63.274 63.177 0.097 1
1 101 . 20 1 1 A 12 12 SER N N 12 119.399 121.178 -1.779 1
1 102 . 20 1 1 A 13 13 LYS H H 13 7.884 7.860 0.024 1
1 103 . 20 1 1 A 13 13 LYS HA H 13 4.575 4.835 -0.260 1
1 112 . 20 1 1 A 13 13 LYS CA C 13 56.362 55.201 1.161 1
1 113 . 20 1 1 A 13 13 LYS CB C 13 35.664 35.046 0.618 1
1 114 . 20 1 1 A 13 13 LYS N N 13 121.565 119.833 1.732 1
1 115 . 20 1 1 A 14 14 LYS H H 14 8.744 8.565 0.179 1
1 116 . 20 1 1 A 14 14 LYS HA H 14 4.313 4.513 -0.200 1
1 123 . 20 1 1 A 14 14 LYS CA C 14 53.374 54.362 -0.988 1
1 124 . 20 1 1 A 14 14 LYS CB C 14 32.741 33.007 -0.266 1
1 127 . 20 1 1 A 14 14 LYS N N 14 125.096 127.832 -2.736 1
1 128 . 20 1 1 A 15 15 PRO HA H 15 4.693 4.905 -0.212 1
1 135 . 20 1 1 A 15 15 PRO CA C 15 62.248 62.262 -0.014 1
1 136 . 20 1 1 A 15 15 PRO CB C 15 31.343 30.045 1.298 1
1 139 . 20 1 1 A 16 16 ARG H H 16 8.118 7.812 0.306 1
1 140 . 20 1 1 A 16 16 ARG HA H 16 4.592 4.363 0.229 1
1 147 . 20 1 1 A 16 16 ARG CA C 16 53.951 56.489 -2.538 1
1 148 . 20 1 1 A 16 16 ARG CB C 16 32.456 31.044 1.412 1
1 151 . 20 1 1 A 16 16 ARG N N 16 119.622 124.349 -4.727 1
1 152 . 20 1 1 A 17 17 SER H H 17 8.511 8.518 -0.007 1
1 153 . 20 1 1 A 17 17 SER HA H 17 5.281 4.892 0.389 1
1 156 . 20 1 1 A 17 17 SER CA C 17 59.888 58.109 1.779 1
1 157 . 20 1 1 A 17 17 SER CB C 17 63.405 64.815 -1.410 1
1 158 . 20 1 1 A 17 17 SER N N 17 117.935 116.005 1.930 1
1 159 . 20 1 1 A 18 18 VAL H H 18 8.389 8.913 -0.524 1
1 160 . 20 1 1 A 18 18 VAL HA H 18 4.660 4.964 -0.304 1
1 168 . 20 1 1 A 18 18 VAL CA C 18 60.004 59.068 0.936 1
1 169 . 20 1 1 A 18 18 VAL CB C 18 36.675 35.963 0.712 1
1 172 . 20 1 1 A 18 18 VAL N N 18 117.416 116.774 0.642 1
1 173 . 20 1 1 A 19 19 GLU H H 19 8.190 8.746 -0.556 1
1 174 . 20 1 1 A 19 19 GLU HA H 19 5.351 5.494 -0.143 1
1 179 . 20 1 1 A 19 19 GLU CA C 19 54.138 54.844 -0.706 1
1 180 . 20 1 1 A 19 19 GLU CB C 19 31.658 32.445 -0.787 1
1 181 . 20 1 1 A 19 19 GLU N N 19 124.652 121.035 3.617 1
1 182 . 20 1 1 A 20 20 VAL H H 20 8.616 8.749 -0.133 1
1 183 . 20 1 1 A 20 20 VAL HA H 20 4.491 4.764 -0.273 1
1 191 . 20 1 1 A 20 20 VAL CA C 20 59.013 59.410 -0.397 1
1 192 . 20 1 1 A 20 20 VAL CB C 20 36.048 35.550 0.498 1
1 195 . 20 1 1 A 20 20 VAL N N 20 120.245 118.831 1.414 1
1 196 . 20 1 1 A 21 21 ALA H H 21 8.375 8.687 -0.312 1
1 197 . 20 1 1 A 21 21 ALA HA H 21 4.364 4.634 -0.270 1
1 201 . 20 1 1 A 21 21 ALA CA C 21 51.307 51.880 -0.573 1
1 202 . 20 1 1 A 21 21 ALA CB C 21 18.726 19.146 -0.420 1
1 203 . 20 1 1 A 21 21 ALA N N 21 126.173 125.563 0.610 1
1 204 . 20 1 1 A 22 22 ALA H H 22 8.287 8.125 0.162 1
1 205 . 20 1 1 A 22 22 ALA HA H 22 3.899 3.986 -0.087 1
1 209 . 20 1 1 A 22 22 ALA CA C 22 53.104 53.975 -0.871 1
1 210 . 20 1 1 A 22 22 ALA CB C 22 17.631 18.467 -0.836 1
1 211 . 20 1 1 A 22 22 ALA N N 22 123.045 123.317 -0.272 1
1 212 . 20 1 1 A 23 23 GLY H H 23 9.862 8.859 1.003 1
1 213 . 20 1 1 A 23 23 GLY HA2 H 23 3.255 3.993 -0.738 1
1 214 . 20 1 1 A 23 23 GLY HA3 H 23 4.371 3.996 0.375 1
1 215 . 20 1 1 A 23 23 GLY CA C 23 44.741 44.987 -0.246 1
1 216 . 20 1 1 A 23 23 GLY N N 23 112.047 111.590 0.457 1
1 217 . 20 1 1 A 24 24 SER H H 24 7.944 7.849 0.095 1
1 218 . 20 1 1 A 24 24 SER HA H 24 4.750 4.554 0.196 1
1 221 . 20 1 1 A 24 24 SER CA C 24 57.787 56.317 1.470 1
1 222 . 20 1 1 A 24 24 SER CB C 24 63.296 63.712 -0.416 1
1 223 . 20 1 1 A 24 24 SER N N 24 119.405 117.986 1.419 1
1 224 . 20 1 1 A 25 25 PRO HA H 25 5.142 4.643 0.499 1
1 231 . 20 1 1 A 25 25 PRO CA C 25 61.743 62.715 -0.972 1
1 232 . 20 1 1 A 25 25 PRO CB C 25 31.751 32.127 -0.376 1
1 235 . 20 1 1 A 26 26 ALA H H 26 8.688 8.328 0.360 1
1 236 . 20 1 1 A 26 26 ALA HA H 26 4.396 4.850 -0.454 1
1 240 . 20 1 1 A 26 26 ALA CA C 26 49.972 50.640 -0.668 1
1 241 . 20 1 1 A 26 26 ALA CB C 26 22.877 21.974 0.903 1
1 242 . 20 1 1 A 26 26 ALA N N 26 123.024 124.037 -1.013 1
1 243 . 20 1 1 A 27 27 VAL H H 27 7.751 8.613 -0.862 1
1 244 . 20 1 1 A 27 27 VAL HA H 27 4.522 5.091 -0.569 1
1 252 . 20 1 1 A 27 27 VAL CA C 27 60.899 58.811 2.088 1
1 253 . 20 1 1 A 27 27 VAL CB C 27 33.331 35.025 -1.694 1
1 255 . 20 1 1 A 27 27 VAL N N 27 121.938 122.556 -0.618 1
1 256 . 20 1 1 A 28 28 PHE H H 28 9.196 9.130 0.066 1
1 257 . 20 1 1 A 28 28 PHE HA H 28 4.561 4.965 -0.404 1
1 265 . 20 1 1 A 28 28 PHE CA C 28 56.051 56.236 -0.185 1
1 266 . 20 1 1 A 28 28 PHE CB C 28 42.218 41.833 0.385 1
1 271 . 20 1 1 A 28 28 PHE N N 28 126.818 125.960 0.858 1
1 272 . 20 1 1 A 29 29 GLU H H 29 8.583 9.021 -0.438 1
1 273 . 20 1 1 A 29 29 GLU HA H 29 5.405 4.876 0.529 1
1 278 . 20 1 1 A 29 29 GLU CA C 29 54.508 55.870 -1.362 1
1 279 . 20 1 1 A 29 29 GLU CB C 29 33.692 30.738 2.954 1
1 280 . 20 1 1 A 29 29 GLU N N 29 120.733 123.113 -2.380 1
1 281 . 20 1 1 A 30 30 ALA H H 30 9.484 9.445 0.039 1
1 282 . 20 1 1 A 30 30 ALA HA H 30 4.691 5.345 -0.654 1
1 286 . 20 1 1 A 30 30 ALA CA C 30 49.421 50.844 -1.423 1
1 287 . 20 1 1 A 30 30 ALA CB C 30 23.523 21.890 1.633 1
1 288 . 20 1 1 A 30 30 ALA N N 30 124.341 127.176 -2.835 1
1 289 . 20 1 1 A 31 31 GLU H H 31 9.001 9.491 -0.490 1
1 290 . 20 1 1 A 31 31 GLU HA H 31 6.016 5.207 0.809 1
1 295 . 20 1 1 A 31 31 GLU CA C 31 54.301 55.235 -0.934 1
1 296 . 20 1 1 A 31 31 GLU CB C 31 33.336 32.385 0.951 1
1 298 . 20 1 1 A 31 31 GLU N N 31 120.169 124.163 -3.994 1
1 299 . 20 1 1 A 32 32 THR H H 32 9.330 8.883 0.447 1
1 300 . 20 1 1 A 32 32 THR HA H 32 4.842 4.498 0.344 1
1 305 . 20 1 1 A 32 32 THR CA C 32 59.738 59.820 -0.082 1
1 306 . 20 1 1 A 32 32 THR CB C 32 69.791 71.161 -1.370 1
1 308 . 20 1 1 A 32 32 THR N N 32 115.538 116.205 -0.667 1
1 309 . 20 1 1 A 33 33 GLU H H 33 7.950 8.722 -0.772 1
1 310 . 20 1 1 A 33 33 GLU HA H 33 3.944 4.469 -0.525 1
1 315 . 20 1 1 A 33 33 GLU CA C 33 58.563 57.475 1.088 1
1 316 . 20 1 1 A 33 33 GLU CB C 33 29.836 29.919 -0.083 1
1 318 . 20 1 1 A 33 33 GLU N N 33 119.723 121.576 -1.853 1
1 319 . 20 1 1 A 34 34 ARG H H 34 7.791 7.396 0.395 1
1 320 . 20 1 1 A 34 34 ARG HA H 34 4.490 4.894 -0.404 1
1 327 . 20 1 1 A 34 34 ARG CA C 34 53.485 54.029 -0.544 1
1 328 . 20 1 1 A 34 34 ARG CB C 34 32.411 33.871 -1.460 1
1 331 . 20 1 1 A 34 34 ARG N N 34 113.251 120.843 -7.592 1
1 332 . 20 1 1 A 35 35 ALA H H 35 8.614 8.599 0.015 1
1 333 . 20 1 1 A 35 35 ALA HA H 35 4.050 4.160 -0.110 1
1 337 . 20 1 1 A 35 35 ALA CA C 35 51.762 53.133 -1.371 1
1 338 . 20 1 1 A 35 35 ALA N N 35 125.041 127.688 -2.647 1
1 339 . 20 1 1 A 36 36 GLY H H 36 8.647 8.820 -0.173 1
1 340 . 20 1 1 A 36 36 GLY HA2 H 36 3.634 3.851 -0.217 1
1 341 . 20 1 1 A 36 36 GLY HA3 H 36 3.960 3.865 0.095 1
1 342 . 20 1 1 A 36 36 GLY CA C 36 45.703 46.092 -0.389 1
1 343 . 20 1 1 A 36 36 GLY N N 36 108.031 110.247 -2.216 1
1 344 . 20 1 1 A 37 37 VAL H H 37 7.077 7.930 -0.853 1
1 345 . 20 1 1 A 37 37 VAL HA H 37 3.869 4.270 -0.401 1
1 353 . 20 1 1 A 37 37 VAL CA C 37 61.469 61.870 -0.401 1
1 354 . 20 1 1 A 37 37 VAL CB C 37 32.942 32.404 0.538 1
1 357 . 20 1 1 A 37 37 VAL N N 37 119.457 121.086 -1.629 1
1 358 . 20 1 1 A 38 38 LYS H H 38 8.467 8.518 -0.051 1
1 359 . 20 1 1 A 38 38 LYS HA H 38 4.267 4.898 -0.631 1
1 366 . 20 1 1 A 38 38 LYS CA C 38 55.873 55.596 0.277 1
1 367 . 20 1 1 A 38 38 LYS CB C 38 30.881 33.845 -2.964 1
1 370 . 20 1 1 A 38 38 LYS N N 38 128.214 127.098 1.116 1
1 371 . 20 1 1 A 39 39 VAL H H 39 7.993 8.835 -0.842 1
1 372 . 20 1 1 A 39 39 VAL HA H 39 4.537 4.315 0.222 1
1 380 . 20 1 1 A 39 39 VAL CA C 39 60.114 61.344 -1.230 1
1 381 . 20 1 1 A 39 39 VAL CB C 39 33.719 32.080 1.639 1
1 384 . 20 1 1 A 39 39 VAL N N 39 123.133 126.174 -3.041 1
1 385 . 20 1 1 A 40 40 ARG H H 40 8.507 8.487 0.020 1
1 386 . 20 1 1 A 40 40 ARG HA H 40 4.503 4.958 -0.455 1
1 393 . 20 1 1 A 40 40 ARG CA C 40 54.098 55.489 -1.391 1
1 394 . 20 1 1 A 40 40 ARG CB C 40 33.701 31.562 2.139 1
1 397 . 20 1 1 A 40 40 ARG N N 40 124.492 125.709 -1.217 1
1 398 . 20 1 1 A 41 41 TRP H H 41 9.083 8.985 0.098 1
1 399 . 20 1 1 A 41 41 TRP HA H 41 5.311 5.423 -0.112 1
1 408 . 20 1 1 A 41 41 TRP CA C 41 55.134 56.158 -1.024 1
1 409 . 20 1 1 A 41 41 TRP CB C 41 31.370 32.025 -0.655 1
1 413 . 20 1 1 A 41 41 TRP N N 41 123.367 122.076 1.291 1
1 415 . 20 1 1 A 42 42 GLN H H 42 9.532 9.042 0.490 1
1 416 . 20 1 1 A 42 42 GLN HA H 42 5.159 4.856 0.303 1
1 423 . 20 1 1 A 42 42 GLN CA C 42 54.445 55.051 -0.606 1
1 424 . 20 1 1 A 42 42 GLN CB C 42 34.775 33.188 1.587 1
1 426 . 20 1 1 A 42 42 GLN N N 42 118.692 120.075 -1.383 1
1 427 . 20 1 1 A 43 43 ARG H H 43 8.209 9.153 -0.944 1
1 428 . 20 1 1 A 43 43 ARG HA H 43 4.039 4.274 -0.235 1
1 435 . 20 1 1 A 43 43 ARG CA C 43 54.790 54.655 0.135 1
1 436 . 20 1 1 A 43 43 ARG CB C 43 32.202 31.209 0.993 1
1 439 . 20 1 1 A 43 43 ARG N N 43 119.579 123.232 -3.653 1
1 440 . 20 1 1 A 46 46 SER H H 46 7.513 7.415 0.098 1
1 441 . 20 1 1 A 46 46 SER HA H 46 4.674 4.418 0.256 1
1 444 . 20 1 1 A 46 46 SER CA C 46 56.766 58.416 -1.650 1
1 445 . 20 1 1 A 46 46 SER CB C 46 64.815 63.364 1.451 1
1 446 . 20 1 1 A 46 46 SER N N 46 114.927 117.329 -2.402 1
1 447 . 20 1 1 A 47 47 ASP H H 47 8.698 8.465 0.233 1
1 448 . 20 1 1 A 47 47 ASP HA H 47 4.830 4.527 0.303 1
1 451 . 20 1 1 A 47 47 ASP CA C 47 55.177 54.690 0.487 1
1 452 . 20 1 1 A 47 47 ASP CB C 47 40.385 40.989 -0.604 1
1 453 . 20 1 1 A 47 47 ASP N N 47 125.553 126.935 -1.382 1
1 454 . 20 1 1 A 48 48 ILE H H 48 8.781 8.771 0.010 1
1 455 . 20 1 1 A 48 48 ILE HA H 48 3.879 4.582 -0.703 1
1 465 . 20 1 1 A 48 48 ILE CA C 48 61.218 59.853 1.365 1
1 466 . 20 1 1 A 48 48 ILE CB C 48 39.345 39.292 0.053 1
1 470 . 20 1 1 A 48 48 ILE N N 48 124.032 124.765 -0.733 1
1 471 . 20 1 1 A 49 49 SER H H 49 7.963 8.476 -0.513 1
1 472 . 20 1 1 A 49 49 SER HA H 49 4.681 4.822 -0.141 1
1 475 . 20 1 1 A 49 49 SER CA C 49 56.256 56.599 -0.343 1
1 476 . 20 1 1 A 49 49 SER CB C 49 65.243 65.298 -0.055 1
1 477 . 20 1 1 A 49 49 SER N N 49 121.077 118.126 2.951 1
1 478 . 20 1 1 A 50 50 ALA H H 50 8.516 8.398 0.118 1
1 479 . 20 1 1 A 50 50 ALA HA H 50 4.302 4.491 -0.189 1
1 483 . 20 1 1 A 50 50 ALA CA C 50 53.052 52.226 0.826 1
1 484 . 20 1 1 A 50 50 ALA CB C 50 18.821 18.093 0.728 1
1 485 . 20 1 1 A 50 50 ALA N N 50 123.977 126.861 -2.884 1
1 486 . 20 1 1 A 51 51 SER H H 51 9.564 8.298 1.266 1
1 487 . 20 1 1 A 51 51 SER HA H 51 4.797 4.876 -0.079 1
1 490 . 20 1 1 A 51 51 SER CA C 51 56.946 57.386 -0.440 1
1 491 . 20 1 1 A 51 51 SER CB C 51 65.759 66.075 -0.316 1
1 492 . 20 1 1 A 51 51 SER N N 51 117.545 117.372 0.173 1
1 494 . 20 1 1 A 52 52 ASN CA C 52 55.930 54.254 1.676 1
1 495 . 20 1 1 A 52 52 ASN CB C 52 37.045 38.349 -1.304 1
1 496 . 20 1 1 A 53 53 LYS H H 53 8.053 8.845 -0.792 1
1 497 . 20 1 1 A 53 53 LYS HA H 53 3.995 4.009 -0.014 1
1 506 . 20 1 1 A 53 53 LYS CA C 53 53.699 57.761 -4.062 1
1 507 . 20 1 1 A 53 53 LYS CB C 53 33.687 32.002 1.685 1
1 511 . 20 1 1 A 53 53 LYS N N 53 121.638 123.174 -1.536 1
1 512 . 20 1 1 A 54 54 TYR H H 54 6.779 7.857 -1.078 1
1 513 . 20 1 1 A 54 54 TYR HA H 54 5.484 5.259 0.225 1
1 520 . 20 1 1 A 54 54 TYR CA C 54 55.016 56.587 -1.571 1
1 521 . 20 1 1 A 54 54 TYR CB C 54 40.147 43.373 -3.226 1
1 526 . 20 1 1 A 54 54 TYR N N 54 114.754 118.660 -3.906 1
1 527 . 20 1 1 A 55 55 GLY H H 55 9.666 8.226 1.440 1
1 528 . 20 1 1 A 55 55 GLY HA2 H 55 4.653 4.219 0.434 1
1 529 . 20 1 1 A 55 55 GLY HA3 H 55 3.343 4.232 -0.889 1
1 530 . 20 1 1 A 55 55 GLY CA C 55 44.332 45.686 -1.354 1
1 531 . 20 1 1 A 55 55 GLY N N 55 110.691 108.393 2.298 1
1 532 . 20 1 1 A 56 56 LEU H H 56 8.542 8.964 -0.422 1
1 533 . 20 1 1 A 56 56 LEU HA H 56 5.138 4.959 0.179 1
1 543 . 20 1 1 A 56 56 LEU CA C 56 54.213 53.638 0.575 1
1 544 . 20 1 1 A 56 56 LEU CB C 56 45.206 43.847 1.359 1
1 548 . 20 1 1 A 56 56 LEU N N 56 125.972 126.885 -0.913 1
1 549 . 20 1 1 A 57 57 ALA H H 57 8.594 8.921 -0.327 1
1 550 . 20 1 1 A 57 57 ALA HA H 57 4.790 4.969 -0.179 1
1 554 . 20 1 1 A 57 57 ALA CA C 57 51.318 50.691 0.627 1
1 555 . 20 1 1 A 57 57 ALA CB C 57 22.564 20.470 2.094 1
1 556 . 20 1 1 A 57 57 ALA N N 57 124.534 125.626 -1.092 1
1 557 . 20 1 1 A 58 58 THR H H 58 8.602 8.986 -0.384 1
1 558 . 20 1 1 A 58 58 THR HA H 58 4.862 4.726 0.136 1
1 563 . 20 1 1 A 58 58 THR CA C 58 62.034 60.519 1.515 1
1 564 . 20 1 1 A 58 58 THR CB C 58 72.197 71.068 1.129 1
1 566 . 20 1 1 A 58 58 THR N N 58 119.396 119.106 0.290 1
1 567 . 20 1 1 A 59 59 GLU H H 59 8.883 8.521 0.362 1
1 568 . 20 1 1 A 59 59 GLU HA H 59 4.378 4.571 -0.193 1
1 573 . 20 1 1 A 59 59 GLU CA C 59 54.955 55.191 -0.236 1
1 574 . 20 1 1 A 59 59 GLU CB C 59 31.121 31.087 0.034 1
1 576 . 20 1 1 A 59 59 GLU N N 59 128.594 126.667 1.927 1
1 577 . 20 1 1 A 60 60 GLY H H 60 9.045 8.886 0.159 1
1 578 . 20 1 1 A 60 60 GLY HA2 H 60 4.081 3.858 0.223 1
1 579 . 20 1 1 A 60 60 GLY HA3 H 60 3.529 3.860 -0.331 1
1 580 . 20 1 1 A 60 60 GLY CA C 60 47.127 47.145 -0.018 1
1 581 . 20 1 1 A 60 60 GLY N N 60 117.047 116.480 0.567 1
1 582 . 20 1 1 A 61 61 THR H H 61 8.332 8.534 -0.202 1
1 583 . 20 1 1 A 61 61 THR HA H 61 4.129 4.583 -0.454 1
1 588 . 20 1 1 A 61 61 THR CA C 61 61.659 61.970 -0.311 1
1 589 . 20 1 1 A 61 61 THR CB C 61 68.477 68.880 -0.403 1
1 591 . 20 1 1 A 61 61 THR N N 61 118.086 119.966 -1.880 1
1 592 . 20 1 1 A 62 62 ARG H H 62 7.906 7.654 0.252 1
1 593 . 20 1 1 A 62 62 ARG HA H 62 4.754 5.006 -0.252 1
1 600 . 20 1 1 A 62 62 ARG CA C 62 56.040 54.221 1.819 1
1 601 . 20 1 1 A 62 62 ARG CB C 62 31.775 34.133 -2.358 1
1 604 . 20 1 1 A 62 62 ARG N N 62 121.911 121.258 0.653 1
1 605 . 20 1 1 A 63 63 HIS H H 63 9.212 9.291 -0.079 1
1 606 . 20 1 1 A 63 63 HIS HA H 63 5.364 5.199 0.165 1
1 611 . 20 1 1 A 63 63 HIS CA C 63 55.066 54.920 0.146 1
1 612 . 20 1 1 A 63 63 HIS CB C 63 33.860 32.806 1.054 1
1 614 . 20 1 1 A 63 63 HIS N N 63 127.111 119.602 7.509 1
1 615 . 20 1 1 A 64 64 THR H H 64 9.261 9.101 0.160 1
1 616 . 20 1 1 A 64 64 THR HA H 64 5.510 5.311 0.199 1
1 621 . 20 1 1 A 64 64 THR CA C 64 60.691 61.952 -1.261 1
1 622 . 20 1 1 A 64 64 THR CB C 64 71.788 69.836 1.952 1
1 624 . 20 1 1 A 64 64 THR N N 64 117.400 118.801 -1.401 1
1 625 . 20 1 1 A 65 65 LEU H H 65 8.456 8.914 -0.458 1
1 626 . 20 1 1 A 65 65 LEU HA H 65 4.642 4.714 -0.072 1
1 636 . 20 1 1 A 65 65 LEU CA C 65 52.783 53.044 -0.261 1
1 637 . 20 1 1 A 65 65 LEU CB C 65 41.350 43.092 -1.742 1
1 641 . 20 1 1 A 65 65 LEU N N 65 129.806 129.912 -0.106 1
1 642 . 20 1 1 A 66 66 THR H H 66 9.381 9.096 0.285 1
1 643 . 20 1 1 A 66 66 THR HA H 66 4.975 4.815 0.160 1
1 648 . 20 1 1 A 66 66 THR CA C 66 61.072 61.965 -0.893 1
1 649 . 20 1 1 A 66 66 THR CB C 66 70.346 70.424 -0.078 1
1 651 . 20 1 1 A 66 66 THR N N 66 123.110 124.334 -1.224 1
1 652 . 20 1 1 A 67 67 VAL H H 67 9.493 9.089 0.404 1
1 653 . 20 1 1 A 67 67 VAL HA H 67 4.317 4.530 -0.213 1
1 661 . 20 1 1 A 67 67 VAL CA C 67 61.300 61.590 -0.290 1
1 662 . 20 1 1 A 67 67 VAL CB C 67 31.636 34.439 -2.803 1
1 665 . 20 1 1 A 67 67 VAL N N 67 128.451 126.276 2.175 1
1 666 . 20 1 1 A 68 68 ARG H H 68 8.500 8.650 -0.150 1
1 667 . 20 1 1 A 68 68 ARG HA H 68 3.839 4.327 -0.488 1
1 674 . 20 1 1 A 68 68 ARG CA C 68 57.379 56.870 0.509 1
1 675 . 20 1 1 A 68 68 ARG CB C 68 30.481 30.494 -0.013 1
1 678 . 20 1 1 A 68 68 ARG N N 68 124.308 126.866 -2.558 1
1 679 . 20 1 1 A 69 69 GLU H H 69 8.545 7.935 0.610 1
1 680 . 20 1 1 A 69 69 GLU HA H 69 3.147 4.089 -0.942 1
1 685 . 20 1 1 A 69 69 GLU CA C 69 55.733 58.093 -2.360 1
1 686 . 20 1 1 A 69 69 GLU CB C 69 28.793 29.684 -0.891 1
1 688 . 20 1 1 A 69 69 GLU N N 69 118.177 119.488 -1.311 1
1 689 . 20 1 1 A 70 70 VAL H H 70 7.771 7.272 0.499 1
1 690 . 20 1 1 A 70 70 VAL HA H 70 3.810 3.999 -0.189 1
1 698 . 20 1 1 A 70 70 VAL CA C 70 63.848 62.649 1.199 1
1 699 . 20 1 1 A 70 70 VAL CB C 70 31.885 32.151 -0.266 1
1 702 . 20 1 1 A 70 70 VAL N N 70 117.579 119.408 -1.829 1
1 703 . 20 1 1 A 71 71 GLY H H 71 9.389 8.299 1.090 1
1 704 . 20 1 1 A 71 71 GLY HA2 H 71 4.470 4.212 0.258 1
1 705 . 20 1 1 A 71 71 GLY HA3 H 71 3.895 4.219 -0.324 1
1 706 . 20 1 1 A 71 71 GLY CA C 71 43.915 45.485 -1.570 1
1 707 . 20 1 1 A 71 71 GLY N N 71 114.169 114.027 0.142 1
1 708 . 20 1 1 A 72 72 PRO HA H 72 4.038 4.492 -0.454 1
1 715 . 20 1 1 A 72 72 PRO CA C 72 65.800 64.594 1.206 1
1 716 . 20 1 1 A 72 72 PRO CB C 72 31.553 31.782 -0.229 1
1 719 . 20 1 1 A 73 73 ALA H H 73 8.558 8.306 0.252 1
1 720 . 20 1 1 A 73 73 ALA HA H 73 4.186 4.306 -0.120 1
1 724 . 20 1 1 A 73 73 ALA CA C 73 53.826 53.474 0.352 1
1 725 . 20 1 1 A 73 73 ALA CB C 73 18.152 19.107 -0.955 1
1 726 . 20 1 1 A 73 73 ALA N N 73 118.164 119.875 -1.711 1
1 727 . 20 1 1 A 74 74 ASP H H 74 8.381 7.730 0.651 1
1 728 . 20 1 1 A 74 74 ASP HA H 74 4.586 4.717 -0.131 1
1 731 . 20 1 1 A 74 74 ASP CA C 74 55.178 54.046 1.132 1
1 732 . 20 1 1 A 74 74 ASP CB C 74 42.280 42.134 0.146 1
1 733 . 20 1 1 A 74 74 ASP N N 74 113.856 116.753 -2.897 1
1 734 . 20 1 1 A 75 75 GLN H H 75 7.409 7.431 -0.022 1
1 735 . 20 1 1 A 75 75 GLN HA H 75 4.252 4.287 -0.035 1
1 740 . 20 1 1 A 75 75 GLN CA C 75 56.682 56.703 -0.021 1
1 741 . 20 1 1 A 75 75 GLN CB C 75 30.337 28.716 1.621 1
1 743 . 20 1 1 A 75 75 GLN N N 75 119.456 119.543 -0.087 1
1 744 . 20 1 1 A 76 76 GLY H H 76 8.984 8.376 0.608 1
1 745 . 20 1 1 A 76 76 GLY HA2 H 76 4.610 4.258 0.352 1
1 746 . 20 1 1 A 76 76 GLY HA3 H 76 3.863 4.276 -0.413 1
1 747 . 20 1 1 A 76 76 GLY CA C 76 44.149 46.267 -2.118 1
1 748 . 20 1 1 A 76 76 GLY N N 76 112.000 109.854 2.146 1
1 749 . 20 1 1 A 77 77 SER H H 77 8.106 8.705 -0.599 1
1 750 . 20 1 1 A 77 77 SER HA H 77 5.009 5.429 -0.420 1
1 753 . 20 1 1 A 77 77 SER CA C 77 58.199 56.375 1.824 1
1 754 . 20 1 1 A 77 77 SER CB C 77 64.099 66.706 -2.607 1
1 755 . 20 1 1 A 77 77 SER N N 77 114.587 116.679 -2.092 1
1 756 . 20 1 1 A 78 78 TYR H H 78 9.056 8.913 0.143 1
1 757 . 20 1 1 A 78 78 TYR HA H 78 4.530 4.989 -0.459 1
1 764 . 20 1 1 A 78 78 TYR CA C 78 56.450 56.029 0.421 1
1 765 . 20 1 1 A 78 78 TYR CB C 78 43.805 41.255 2.550 1
1 770 . 20 1 1 A 78 78 TYR N N 78 127.751 119.002 8.749 1
1 771 . 20 1 1 A 79 79 ALA H H 79 8.558 8.719 -0.161 1
1 772 . 20 1 1 A 79 79 ALA HA H 79 5.233 5.332 -0.099 1
1 776 . 20 1 1 A 79 79 ALA CA C 79 50.806 49.901 0.905 1
1 777 . 20 1 1 A 79 79 ALA CB C 79 23.130 22.576 0.554 1
1 778 . 20 1 1 A 79 79 ALA N N 79 118.647 125.663 -7.016 1
1 779 . 20 1 1 A 80 80 VAL H H 80 8.717 8.527 0.190 1
1 780 . 20 1 1 A 80 80 VAL HA H 80 4.905 4.497 0.408 1
1 788 . 20 1 1 A 80 80 VAL CA C 80 58.760 60.182 -1.422 1
1 789 . 20 1 1 A 80 80 VAL CB C 80 35.087 34.556 0.531 1
1 792 . 20 1 1 A 80 80 VAL N N 80 118.846 118.274 0.572 1
1 793 . 20 1 1 A 81 81 ILE H H 81 8.739 8.903 -0.164 1
1 794 . 20 1 1 A 81 81 ILE HA H 81 5.012 5.170 -0.158 1
1 804 . 20 1 1 A 81 81 ILE CA C 81 59.751 59.700 0.051 1
1 805 . 20 1 1 A 81 81 ILE CB C 81 42.030 40.748 1.282 1
1 809 . 20 1 1 A 81 81 ILE N N 81 126.232 129.458 -3.226 1
1 810 . 20 1 1 A 82 82 ALA H H 82 8.388 8.680 -0.292 1
1 811 . 20 1 1 A 82 82 ALA HA H 82 4.449 4.437 0.012 1
1 815 . 20 1 1 A 82 82 ALA CA C 82 50.839 50.598 0.241 1
1 816 . 20 1 1 A 82 82 ALA CB C 82 21.160 19.681 1.479 1
1 817 . 20 1 1 A 82 82 ALA N N 82 128.273 128.000 0.273 1
1 818 . 20 1 1 A 83 83 GLY H H 83 8.841 8.878 -0.037 1
1 819 . 20 1 1 A 83 83 GLY HA2 H 83 3.815 3.841 -0.026 1
1 820 . 20 1 1 A 83 83 GLY HA3 H 83 3.509 3.850 -0.341 1
1 821 . 20 1 1 A 83 83 GLY CA C 83 46.917 47.233 -0.316 1
1 822 . 20 1 1 A 83 83 GLY N N 83 113.065 114.929 -1.864 1
1 823 . 20 1 1 A 85 85 SER H H 85 8.423 7.907 0.516 1
1 824 . 20 1 1 A 85 85 SER HA H 85 4.659 4.396 0.263 1
1 827 . 20 1 1 A 85 85 SER CA C 85 58.485 58.880 -0.395 1
1 828 . 20 1 1 A 85 85 SER CB C 85 64.397 63.810 0.587 1
1 829 . 20 1 1 A 85 85 SER N N 85 119.428 116.302 3.126 1
1 830 . 20 1 1 A 86 86 LYS H H 86 8.490 8.746 -0.256 1
1 831 . 20 1 1 A 86 86 LYS HA H 86 5.243 5.051 0.192 1
1 840 . 20 1 1 A 86 86 LYS CA C 86 54.822 54.652 0.170 1
1 841 . 20 1 1 A 86 86 LYS CB C 86 35.340 35.709 -0.369 1
1 845 . 20 1 1 A 86 86 LYS N N 86 125.678 127.543 -1.865 1
1 846 . 20 1 1 A 87 87 VAL H H 87 8.863 8.502 0.361 1
1 847 . 20 1 1 A 87 87 VAL HA H 87 4.300 4.796 -0.496 1
1 855 . 20 1 1 A 87 87 VAL CA C 87 60.870 59.114 1.756 1
1 856 . 20 1 1 A 87 87 VAL CB C 87 34.228 35.345 -1.117 1
1 859 . 20 1 1 A 87 87 VAL N N 87 126.631 124.986 1.645 1
1 860 . 20 1 1 A 88 88 LYS H H 88 8.475 8.980 -0.505 1
1 861 . 20 1 1 A 88 88 LYS HA H 88 5.065 4.946 0.119 1
1 870 . 20 1 1 A 88 88 LYS CA C 88 55.124 54.396 0.728 1
1 871 . 20 1 1 A 88 88 LYS CB C 88 34.479 36.164 -1.685 1
1 874 . 20 1 1 A 88 88 LYS N N 88 125.592 125.133 0.459 1
1 875 . 20 1 1 A 89 89 PHE H H 89 8.152 8.105 0.047 1
1 876 . 20 1 1 A 89 89 PHE HA H 89 4.601 5.600 -0.999 1
1 884 . 20 1 1 A 89 89 PHE CA C 89 56.311 55.099 1.212 1
1 885 . 20 1 1 A 89 89 PHE CB C 89 39.383 41.849 -2.466 1
1 888 . 20 1 1 A 89 89 PHE N N 89 119.005 117.341 1.664 1
1 889 . 20 1 1 A 90 90 ASP H H 90 9.006 8.944 0.062 1
1 890 . 20 1 1 A 90 90 ASP HA H 90 5.565 5.444 0.121 1
1 893 . 20 1 1 A 90 90 ASP CA C 90 53.532 53.624 -0.092 1
1 894 . 20 1 1 A 90 90 ASP CB C 90 45.151 43.320 1.831 1
1 895 . 20 1 1 A 90 90 ASP N N 90 118.742 119.691 -0.949 1
1 896 . 20 1 1 A 91 91 LEU H H 91 8.733 8.628 0.105 1
1 897 . 20 1 1 A 91 91 LEU HA H 91 5.137 5.148 -0.011 1
1 907 . 20 1 1 A 91 91 LEU CA C 91 54.171 53.908 0.263 1
1 908 . 20 1 1 A 91 91 LEU CB C 91 45.625 44.825 0.800 1
1 911 . 20 1 1 A 91 91 LEU N N 91 121.344 125.002 -3.658 1
1 912 . 20 1 1 A 92 92 LYS H H 92 8.892 8.709 0.183 1
1 913 . 20 1 1 A 92 92 LYS HA H 92 4.733 4.824 -0.091 1
1 922 . 20 1 1 A 92 92 LYS CA C 92 54.910 55.913 -1.003 1
1 923 . 20 1 1 A 92 92 LYS CB C 92 35.261 33.939 1.322 1
1 927 . 20 1 1 A 92 92 LYS N N 92 128.486 126.864 1.622 1
1 928 . 20 1 1 A 93 93 VAL H H 93 8.563 8.661 -0.098 1
1 929 . 20 1 1 A 93 93 VAL HA H 93 4.818 5.264 -0.446 1
1 937 . 20 1 1 A 93 93 VAL CA C 93 60.568 61.031 -0.463 1
1 938 . 20 1 1 A 93 93 VAL CB C 93 33.024 34.587 -1.563 1
1 941 . 20 1 1 A 93 93 VAL N N 93 124.459 121.949 2.510 1
1 942 . 20 1 1 A 94 94 ILE H H 94 8.395 8.836 -0.441 1
1 943 . 20 1 1 A 94 94 ILE HA H 94 4.162 4.693 -0.531 1
1 953 . 20 1 1 A 94 94 ILE CA C 94 60.238 59.877 0.361 1
1 954 . 20 1 1 A 94 94 ILE CB C 94 39.279 40.161 -0.882 1
1 958 . 20 1 1 A 94 94 ILE N N 94 126.433 126.600 -0.167 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 89 1.228 1
3 1 1 1 "RMS(OBS, PRED)" CB 80 1.545 1
4 1 1 1 "RMS(OBS, PRED)" H 83 0.482 1
5 1 1 1 "RMS(OBS, PRED)" HA 96 0.391 1
6 1 1 1 "RMS(OBS, PRED)" N 83 2.583 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 89 1.176 1
9 1 2 1 "RMS(OBS, PRED)" CB 80 1.537 1
10 1 2 1 "RMS(OBS, PRED)" H 83 0.465 1
11 1 2 1 "RMS(OBS, PRED)" HA 96 0.385 1
12 1 2 1 "RMS(OBS, PRED)" N 83 2.766 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 89 1.210 1
15 1 3 1 "RMS(OBS, PRED)" CB 80 1.454 1
16 1 3 1 "RMS(OBS, PRED)" H 83 0.465 1
17 1 3 1 "RMS(OBS, PRED)" HA 96 0.378 1
18 1 3 1 "RMS(OBS, PRED)" N 83 2.852 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 89 1.196 1
21 1 4 1 "RMS(OBS, PRED)" CB 80 1.420 1
22 1 4 1 "RMS(OBS, PRED)" H 83 0.452 1
23 1 4 1 "RMS(OBS, PRED)" HA 96 0.374 1
24 1 4 1 "RMS(OBS, PRED)" N 83 2.748 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 89 1.156 1
27 1 5 1 "RMS(OBS, PRED)" CB 80 1.403 1
28 1 5 1 "RMS(OBS, PRED)" H 83 0.498 1
29 1 5 1 "RMS(OBS, PRED)" HA 96 0.376 1
30 1 5 1 "RMS(OBS, PRED)" N 83 2.711 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 89 1.232 1
33 1 6 1 "RMS(OBS, PRED)" CB 80 1.526 1
34 1 6 1 "RMS(OBS, PRED)" H 83 0.452 1
35 1 6 1 "RMS(OBS, PRED)" HA 96 0.391 1
36 1 6 1 "RMS(OBS, PRED)" N 83 2.982 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 89 1.147 1
39 1 7 1 "RMS(OBS, PRED)" CB 80 1.556 1
40 1 7 1 "RMS(OBS, PRED)" H 83 0.444 1
41 1 7 1 "RMS(OBS, PRED)" HA 96 0.395 1
42 1 7 1 "RMS(OBS, PRED)" N 83 2.531 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 89 1.196 1
45 1 8 1 "RMS(OBS, PRED)" CB 80 1.511 1
46 1 8 1 "RMS(OBS, PRED)" H 83 0.468 1
47 1 8 1 "RMS(OBS, PRED)" HA 96 0.374 1
48 1 8 1 "RMS(OBS, PRED)" N 83 2.784 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 89 1.206 1
51 1 9 1 "RMS(OBS, PRED)" CB 80 1.473 1
52 1 9 1 "RMS(OBS, PRED)" H 83 0.461 1
53 1 9 1 "RMS(OBS, PRED)" HA 96 0.394 1
54 1 9 1 "RMS(OBS, PRED)" N 83 2.654 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 89 1.162 1
57 1 10 1 "RMS(OBS, PRED)" CB 80 1.522 1
58 1 10 1 "RMS(OBS, PRED)" H 83 0.479 1
59 1 10 1 "RMS(OBS, PRED)" HA 96 0.398 1
60 1 10 1 "RMS(OBS, PRED)" N 83 2.747 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 89 1.251 1
63 1 11 1 "RMS(OBS, PRED)" CB 80 1.426 1
64 1 11 1 "RMS(OBS, PRED)" H 83 0.474 1
65 1 11 1 "RMS(OBS, PRED)" HA 96 0.375 1
66 1 11 1 "RMS(OBS, PRED)" N 83 2.795 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 89 1.187 1
69 1 12 1 "RMS(OBS, PRED)" CB 80 1.403 1
70 1 12 1 "RMS(OBS, PRED)" H 83 0.480 1
71 1 12 1 "RMS(OBS, PRED)" HA 96 0.389 1
72 1 12 1 "RMS(OBS, PRED)" N 83 2.629 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 89 1.199 1
75 1 13 1 "RMS(OBS, PRED)" CB 80 1.497 1
76 1 13 1 "RMS(OBS, PRED)" H 83 0.469 1
77 1 13 1 "RMS(OBS, PRED)" HA 96 0.394 1
78 1 13 1 "RMS(OBS, PRED)" N 83 2.900 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 89 1.150 1
81 1 14 1 "RMS(OBS, PRED)" CB 80 1.391 1
82 1 14 1 "RMS(OBS, PRED)" H 83 0.482 1
83 1 14 1 "RMS(OBS, PRED)" HA 96 0.372 1
84 1 14 1 "RMS(OBS, PRED)" N 83 2.680 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 89 1.208 1
87 1 15 1 "RMS(OBS, PRED)" CB 80 1.371 1
88 1 15 1 "RMS(OBS, PRED)" H 83 0.455 1
89 1 15 1 "RMS(OBS, PRED)" HA 96 0.376 1
90 1 15 1 "RMS(OBS, PRED)" N 83 3.096 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 89 1.177 1
93 1 16 1 "RMS(OBS, PRED)" CB 80 1.456 1
94 1 16 1 "RMS(OBS, PRED)" H 83 0.493 1
95 1 16 1 "RMS(OBS, PRED)" HA 96 0.382 1
96 1 16 1 "RMS(OBS, PRED)" N 83 2.578 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 89 1.147 1
99 1 17 1 "RMS(OBS, PRED)" CB 80 1.411 1
100 1 17 1 "RMS(OBS, PRED)" H 83 0.473 1
101 1 17 1 "RMS(OBS, PRED)" HA 96 0.383 1
102 1 17 1 "RMS(OBS, PRED)" N 83 2.702 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 89 1.201 1
105 1 18 1 "RMS(OBS, PRED)" CB 80 1.405 1
106 1 18 1 "RMS(OBS, PRED)" H 83 0.450 1
107 1 18 1 "RMS(OBS, PRED)" HA 96 0.382 1
108 1 18 1 "RMS(OBS, PRED)" N 83 2.803 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 89 1.222 1
111 1 19 1 "RMS(OBS, PRED)" CB 80 1.414 1
112 1 19 1 "RMS(OBS, PRED)" H 83 0.472 1
113 1 19 1 "RMS(OBS, PRED)" HA 96 0.374 1
114 1 19 1 "RMS(OBS, PRED)" N 83 3.004 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 89 1.208 1
117 1 20 1 "RMS(OBS, PRED)" CB 80 1.400 1
118 1 20 1 "RMS(OBS, PRED)" H 83 0.477 1
119 1 20 1 "RMS(OBS, PRED)" HA 96 0.371 1
120 1 20 1 "RMS(OBS, PRED)" N 83 2.651 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 3 3 PRO HA H 3 4.235 4.582 -0.347 2
1 8 . 1 1 A 3 3 PRO CA C 3 63.375 62.529 0.846 2
1 9 . 1 1 A 3 3 PRO CB C 3 31.835 32.682 -0.847 2
1 11 . 1 1 A 4 4 GLY H H 4 8.439 8.279 0.160 2
1 12 . 1 1 A 4 4 GLY HA2 H 4 3.854 3.846 0.008 2
1 13 . 1 1 A 4 4 GLY HA3 H 4 3.819 3.846 -0.027 2
1 14 . 1 1 A 4 4 GLY CA C 4 45.043 46.938 -1.895 2
1 15 . 1 1 A 4 4 GLY N N 4 108.904 107.435 1.469 2
1 16 . 1 1 A 5 5 LYS H H 5 7.974 7.648 0.326 2
1 17 . 1 1 A 5 5 LYS HA H 5 4.265 4.593 -0.328 2
1 26 . 1 1 A 5 5 LYS CA C 5 55.709 55.105 0.604 2
1 27 . 1 1 A 5 5 LYS CB C 5 33.081 34.394 -1.313 2
1 31 . 1 1 A 5 5 LYS N N 5 120.616 119.047 1.569 2
1 32 . 1 1 A 6 6 LYS H H 6 8.291 8.448 -0.157 2
1 33 . 1 1 A 6 6 LYS HA H 6 4.505 4.600 -0.095 2
1 36 . 1 1 A 6 6 LYS CA C 6 54.105 54.473 -0.368 2
1 37 . 1 1 A 6 6 LYS CB C 6 32.381 32.232 0.149 2
1 38 . 1 1 A 6 6 LYS N N 6 124.267 122.794 1.473 2
1 39 . 1 1 A 7 7 PRO HA H 7 4.371 4.498 -0.127 2
1 46 . 1 1 A 7 7 PRO CA C 7 62.738 62.695 0.043 2
1 47 . 1 1 A 7 7 PRO CB C 7 31.942 32.179 -0.237 2
1 50 . 1 1 A 8 8 VAL H H 8 8.244 8.315 -0.071 2
1 51 . 1 1 A 8 8 VAL HA H 8 4.012 3.991 0.021 2
1 59 . 1 1 A 8 8 VAL CA C 8 61.883 62.230 -0.347 2
1 60 . 1 1 A 8 8 VAL CB C 8 32.743 31.079 1.664 2
1 63 . 1 1 A 8 8 VAL N N 8 120.593 122.390 -1.797 2
1 64 . 1 1 A 9 9 SER H H 9 8.296 8.696 -0.400 2
1 65 . 1 1 A 9 9 SER HA H 9 4.315 4.800 -0.485 2
1 68 . 1 1 A 9 9 SER CA C 9 57.429 57.624 -0.195 2
1 69 . 1 1 A 9 9 SER CB C 9 63.804 64.928 -1.124 2
1 70 . 1 1 A 9 9 SER N N 9 118.557 122.868 -4.311 2
1 71 . 1 1 A 10 10 ALA H H 10 8.214 8.616 -0.402 2
1 72 . 1 1 A 10 10 ALA HA H 10 4.069 4.633 -0.564 2
1 76 . 1 1 A 10 10 ALA CA C 10 53.042 51.347 1.695 2
1 77 . 1 1 A 10 10 ALA CB C 10 19.919 19.868 0.051 2
1 78 . 1 1 A 10 10 ALA N N 10 125.277 124.959 0.318 2
1 79 . 1 1 A 11 11 PHE H H 11 8.238 7.739 0.499 2
1 80 . 1 1 A 11 11 PHE HA H 11 4.816 4.953 -0.137 2
1 88 . 1 1 A 11 11 PHE CA C 11 57.727 56.225 1.502 2
1 89 . 1 1 A 11 11 PHE CB C 11 39.854 38.983 0.871 2
1 94 . 1 1 A 11 11 PHE N N 11 114.771 118.102 -3.331 2
1 95 . 1 1 A 12 12 SER H H 12 8.809 8.851 -0.042 2
1 96 . 1 1 A 12 12 SER HA H 12 4.395 4.276 0.119 2
1 99 . 1 1 A 12 12 SER CA C 12 58.641 61.511 -2.870 2
1 100 . 1 1 A 12 12 SER CB C 12 63.274 63.148 0.126 2
1 101 . 1 1 A 12 12 SER N N 12 119.399 121.042 -1.643 2
1 102 . 1 1 A 13 13 LYS H H 13 7.884 7.886 -0.002 2
1 103 . 1 1 A 13 13 LYS HA H 13 4.575 4.856 -0.281 2
1 112 . 1 1 A 13 13 LYS CA C 13 56.362 55.175 1.187 2
1 113 . 1 1 A 13 13 LYS CB C 13 35.664 35.151 0.513 2
1 114 . 1 1 A 13 13 LYS N N 13 121.565 119.920 1.645 2
1 115 . 1 1 A 14 14 LYS H H 14 8.744 8.581 0.163 2
1 116 . 1 1 A 14 14 LYS HA H 14 4.313 4.531 -0.218 2
1 123 . 1 1 A 14 14 LYS CA C 14 53.374 54.402 -1.028 2
1 124 . 1 1 A 14 14 LYS CB C 14 32.741 32.979 -0.238 2
1 127 . 1 1 A 14 14 LYS N N 14 125.096 127.854 -2.758 2
1 128 . 1 1 A 15 15 PRO HA H 15 4.693 4.868 -0.175 2
1 135 . 1 1 A 15 15 PRO CA C 15 62.248 62.265 -0.017 2
1 136 . 1 1 A 15 15 PRO CB C 15 31.343 29.613 1.730 2
1 139 . 1 1 A 16 16 ARG H H 16 8.118 7.991 0.127 2
1 140 . 1 1 A 16 16 ARG HA H 16 4.592 4.336 0.256 2
1 147 . 1 1 A 16 16 ARG CA C 16 53.951 56.507 -2.556 2
1 148 . 1 1 A 16 16 ARG CB C 16 32.456 30.795 1.661 2
1 151 . 1 1 A 16 16 ARG N N 16 119.622 122.553 -2.931 2
1 152 . 1 1 A 17 17 SER H H 17 8.511 8.605 -0.094 2
1 153 . 1 1 A 17 17 SER HA H 17 5.281 4.690 0.591 2
1 156 . 1 1 A 17 17 SER CA C 17 59.888 58.496 1.392 2
1 157 . 1 1 A 17 17 SER CB C 17 63.405 64.448 -1.043 2
1 158 . 1 1 A 17 17 SER N N 17 117.935 116.087 1.848 2
1 159 . 1 1 A 18 18 VAL H H 18 8.389 8.787 -0.398 2
1 160 . 1 1 A 18 18 VAL HA H 18 4.660 4.907 -0.247 2
1 168 . 1 1 A 18 18 VAL CA C 18 60.004 59.681 0.323 2
1 169 . 1 1 A 18 18 VAL CB C 18 36.675 35.906 0.769 2
1 172 . 1 1 A 18 18 VAL N N 18 117.416 119.750 -2.334 2
1 173 . 1 1 A 19 19 GLU H H 19 8.190 8.813 -0.623 2
1 174 . 1 1 A 19 19 GLU HA H 19 5.351 5.494 -0.143 2
1 179 . 1 1 A 19 19 GLU CA C 19 54.138 54.833 -0.695 2
1 180 . 1 1 A 19 19 GLU CB C 19 31.658 32.478 -0.820 2
1 181 . 1 1 A 19 19 GLU N N 19 124.652 122.689 1.963 2
1 182 . 1 1 A 20 20 VAL H H 20 8.616 8.599 0.017 2
1 183 . 1 1 A 20 20 VAL HA H 20 4.491 4.741 -0.250 2
1 191 . 1 1 A 20 20 VAL CA C 20 59.013 59.481 -0.469 2
1 192 . 1 1 A 20 20 VAL CB C 20 36.048 35.653 0.395 2
1 195 . 1 1 A 20 20 VAL N N 20 120.245 118.859 1.386 2
1 196 . 1 1 A 21 21 ALA H H 21 8.375 8.644 -0.269 2
1 197 . 1 1 A 21 21 ALA HA H 21 4.364 4.622 -0.258 2
1 201 . 1 1 A 21 21 ALA CA C 21 51.307 51.932 -0.625 2
1 202 . 1 1 A 21 21 ALA CB C 21 18.726 19.107 -0.381 2
1 203 . 1 1 A 21 21 ALA N N 21 126.173 125.808 0.365 2
1 204 . 1 1 A 22 22 ALA H H 22 8.287 8.143 0.144 2
1 205 . 1 1 A 22 22 ALA HA H 22 3.899 3.989 -0.090 2
1 209 . 1 1 A 22 22 ALA CA C 22 53.104 53.992 -0.888 2
1 210 . 1 1 A 22 22 ALA CB C 22 17.631 18.471 -0.840 2
1 211 . 1 1 A 22 22 ALA N N 22 123.045 123.251 -0.206 2
1 212 . 1 1 A 23 23 GLY H H 23 9.862 8.843 1.019 2
1 213 . 1 1 A 23 23 GLY HA2 H 23 3.255 3.990 -0.735 2
1 214 . 1 1 A 23 23 GLY HA3 H 23 4.371 3.992 0.379 2
1 215 . 1 1 A 23 23 GLY CA C 23 44.741 45.005 -0.264 2
1 216 . 1 1 A 23 23 GLY N N 23 112.047 111.492 0.555 2
1 217 . 1 1 A 24 24 SER H H 24 7.944 7.926 0.018 2
1 218 . 1 1 A 24 24 SER HA H 24 4.750 4.505 0.245 2
1 221 . 1 1 A 24 24 SER CA C 24 57.787 56.681 1.106 2
1 222 . 1 1 A 24 24 SER CB C 24 63.296 63.760 -0.464 2
1 223 . 1 1 A 24 24 SER N N 24 119.405 117.894 1.511 2
1 224 . 1 1 A 25 25 PRO HA H 25 5.142 4.650 0.492 2
1 231 . 1 1 A 25 25 PRO CA C 25 61.743 62.705 -0.962 2
1 232 . 1 1 A 25 25 PRO CB C 25 31.751 32.211 -0.460 2
1 235 . 1 1 A 26 26 ALA H H 26 8.688 8.288 0.400 2
1 236 . 1 1 A 26 26 ALA HA H 26 4.396 4.842 -0.446 2
1 240 . 1 1 A 26 26 ALA CA C 26 49.972 50.657 -0.685 2
1 241 . 1 1 A 26 26 ALA CB C 26 22.877 21.975 0.902 2
1 242 . 1 1 A 26 26 ALA N N 26 123.024 123.842 -0.818 2
1 243 . 1 1 A 27 27 VAL H H 27 7.751 8.630 -0.879 2
1 244 . 1 1 A 27 27 VAL HA H 27 4.522 5.066 -0.544 2
1 252 . 1 1 A 27 27 VAL CA C 27 60.899 59.317 1.582 2
1 253 . 1 1 A 27 27 VAL CB C 27 33.331 35.050 -1.720 2
1 255 . 1 1 A 27 27 VAL N N 27 121.938 122.312 -0.374 2
1 256 . 1 1 A 28 28 PHE H H 28 9.196 9.108 0.088 2
1 257 . 1 1 A 28 28 PHE HA H 28 4.561 5.056 -0.495 2
1 265 . 1 1 A 28 28 PHE CA C 28 56.051 56.195 -0.144 2
1 266 . 1 1 A 28 28 PHE CB C 28 42.218 42.056 0.162 2
1 271 . 1 1 A 28 28 PHE N N 28 126.818 125.897 0.921 2
1 272 . 1 1 A 29 29 GLU H H 29 8.583 9.029 -0.446 2
1 273 . 1 1 A 29 29 GLU HA H 29 5.405 4.972 0.433 2
1 278 . 1 1 A 29 29 GLU CA C 29 54.508 55.724 -1.216 2
1 279 . 1 1 A 29 29 GLU CB C 29 33.692 31.190 2.502 2
1 280 . 1 1 A 29 29 GLU N N 29 120.733 123.668 -2.935 2
1 281 . 1 1 A 30 30 ALA H H 30 9.484 9.557 -0.073 2
1 282 . 1 1 A 30 30 ALA HA H 30 4.691 5.374 -0.683 2
1 286 . 1 1 A 30 30 ALA CA C 30 49.421 50.807 -1.386 2
1 287 . 1 1 A 30 30 ALA CB C 30 23.523 21.909 1.614 2
1 288 . 1 1 A 30 30 ALA N N 30 124.341 128.369 -4.028 2
1 289 . 1 1 A 31 31 GLU H H 31 9.001 9.411 -0.410 2
1 290 . 1 1 A 31 31 GLU HA H 31 6.016 5.180 0.836 2
1 295 . 1 1 A 31 31 GLU CA C 31 54.301 55.181 -0.880 2
1 296 . 1 1 A 31 31 GLU CB C 31 33.336 32.462 0.874 2
1 298 . 1 1 A 31 31 GLU N N 31 120.169 123.861 -3.692 2
1 299 . 1 1 A 32 32 THR H H 32 9.330 8.930 0.400 2
1 300 . 1 1 A 32 32 THR HA H 32 4.842 4.368 0.474 2
1 305 . 1 1 A 32 32 THR CA C 32 59.738 59.980 -0.242 2
1 306 . 1 1 A 32 32 THR CB C 32 69.791 71.218 -1.427 2
1 308 . 1 1 A 32 32 THR N N 32 115.538 116.043 -0.505 2
1 309 . 1 1 A 33 33 GLU H H 33 7.950 8.806 -0.856 2
1 310 . 1 1 A 33 33 GLU HA H 33 3.944 4.456 -0.512 2
1 315 . 1 1 A 33 33 GLU CA C 33 58.563 57.368 1.194 2
1 316 . 1 1 A 33 33 GLU CB C 33 29.836 30.194 -0.358 2
1 318 . 1 1 A 33 33 GLU N N 33 119.723 121.837 -2.114 2
1 319 . 1 1 A 34 34 ARG H H 34 7.791 7.487 0.304 2
1 320 . 1 1 A 34 34 ARG HA H 34 4.490 4.825 -0.335 2
1 327 . 1 1 A 34 34 ARG CA C 34 53.485 54.798 -1.313 2
1 328 . 1 1 A 34 34 ARG CB C 34 32.411 33.770 -1.359 2
1 331 . 1 1 A 34 34 ARG N N 34 113.251 119.490 -6.239 2
1 332 . 1 1 A 35 35 ALA H H 35 8.614 8.542 0.072 2
1 333 . 1 1 A 35 35 ALA HA H 35 4.050 4.486 -0.436 2
1 337 . 1 1 A 35 35 ALA CA C 35 51.762 52.242 -0.480 2
1 338 . 1 1 A 35 35 ALA N N 35 125.041 126.631 -1.590 2
1 339 . 1 1 A 36 36 GLY H H 36 8.647 8.898 -0.251 2
1 340 . 1 1 A 36 36 GLY HA2 H 36 3.634 3.953 -0.319 2
1 341 . 1 1 A 36 36 GLY HA3 H 36 3.960 3.965 -0.005 2
1 342 . 1 1 A 36 36 GLY CA C 36 45.703 45.318 0.385 2
1 343 . 1 1 A 36 36 GLY N N 36 108.031 110.241 -2.210 2
1 344 . 1 1 A 37 37 VAL H H 37 7.077 7.838 -0.761 2
1 345 . 1 1 A 37 37 VAL HA H 37 3.869 4.219 -0.350 2
1 353 . 1 1 A 37 37 VAL CA C 37 61.469 61.694 -0.225 2
1 354 . 1 1 A 37 37 VAL CB C 37 32.942 32.521 0.421 2
1 357 . 1 1 A 37 37 VAL N N 37 119.457 119.754 -0.297 2
1 358 . 1 1 A 38 38 LYS H H 38 8.467 8.508 -0.041 2
1 359 . 1 1 A 38 38 LYS HA H 38 4.267 4.785 -0.517 2
1 366 . 1 1 A 38 38 LYS CA C 38 55.873 55.637 0.236 2
1 367 . 1 1 A 38 38 LYS CB C 38 30.881 33.479 -2.598 2
1 370 . 1 1 A 38 38 LYS N N 38 128.214 125.146 3.068 2
1 371 . 1 1 A 39 39 VAL H H 39 7.993 8.508 -0.515 2
1 372 . 1 1 A 39 39 VAL HA H 39 4.537 4.237 0.300 2
1 380 . 1 1 A 39 39 VAL CA C 39 60.114 61.795 -1.681 2
1 381 . 1 1 A 39 39 VAL CB C 39 33.719 31.742 1.977 2
1 384 . 1 1 A 39 39 VAL N N 39 123.133 125.192 -2.059 2
1 385 . 1 1 A 40 40 ARG H H 40 8.507 8.597 -0.090 2
1 386 . 1 1 A 40 40 ARG HA H 40 4.503 4.824 -0.321 2
1 393 . 1 1 A 40 40 ARG CA C 40 54.098 55.572 -1.474 2
1 394 . 1 1 A 40 40 ARG CB C 40 33.701 31.176 2.525 2
1 397 . 1 1 A 40 40 ARG N N 40 124.492 126.805 -2.313 2
1 398 . 1 1 A 41 41 TRP H H 41 9.083 8.985 0.098 2
1 399 . 1 1 A 41 41 TRP HA H 41 5.311 5.416 -0.105 2
1 408 . 1 1 A 41 41 TRP CA C 41 55.134 55.896 -0.762 2
1 409 . 1 1 A 41 41 TRP CB C 41 31.370 32.658 -1.288 2
1 413 . 1 1 A 41 41 TRP N N 41 123.367 123.775 -0.408 2
1 415 . 1 1 A 42 42 GLN H H 42 9.532 9.071 0.461 2
1 416 . 1 1 A 42 42 GLN HA H 42 5.159 4.800 0.359 2
1 423 . 1 1 A 42 42 GLN CA C 42 54.445 54.668 -0.223 2
1 424 . 1 1 A 42 42 GLN CB C 42 34.775 32.896 1.879 2
1 426 . 1 1 A 42 42 GLN N N 42 118.692 121.568 -2.876 2
1 427 . 1 1 A 43 43 ARG H H 43 8.209 8.879 -0.670 2
1 428 . 1 1 A 43 43 ARG HA H 43 4.039 4.269 -0.230 2
1 435 . 1 1 A 43 43 ARG CA C 43 54.790 54.187 0.603 2
1 436 . 1 1 A 43 43 ARG CB C 43 32.202 32.081 0.121 2
1 439 . 1 1 A 43 43 ARG N N 43 119.579 125.443 -5.864 2
1 440 . 1 1 A 46 46 SER H H 46 7.513 7.759 -0.246 2
1 441 . 1 1 A 46 46 SER HA H 46 4.674 4.787 -0.113 2
1 444 . 1 1 A 46 46 SER CA C 46 56.766 57.221 -0.455 2
1 445 . 1 1 A 46 46 SER CB C 46 64.815 65.523 -0.708 2
1 446 . 1 1 A 46 46 SER N N 46 114.927 115.774 -0.847 2
1 447 . 1 1 A 47 47 ASP H H 47 8.698 8.548 0.150 2
1 448 . 1 1 A 47 47 ASP HA H 47 4.830 4.693 0.137 2
1 451 . 1 1 A 47 47 ASP CA C 47 55.177 54.041 1.136 2
1 452 . 1 1 A 47 47 ASP CB C 47 40.385 41.502 -1.117 2
1 453 . 1 1 A 47 47 ASP N N 47 125.553 124.173 1.380 2
1 454 . 1 1 A 48 48 ILE H H 48 8.781 8.624 0.157 2
1 455 . 1 1 A 48 48 ILE HA H 48 3.879 4.693 -0.814 2
1 465 . 1 1 A 48 48 ILE CA C 48 61.218 59.718 1.500 2
1 466 . 1 1 A 48 48 ILE CB C 48 39.345 40.285 -0.940 2
1 470 . 1 1 A 48 48 ILE N N 48 124.032 122.632 1.400 2
1 471 . 1 1 A 49 49 SER H H 49 7.963 8.521 -0.558 2
1 472 . 1 1 A 49 49 SER HA H 49 4.681 4.833 -0.152 2
1 475 . 1 1 A 49 49 SER CA C 49 56.256 57.106 -0.850 2
1 476 . 1 1 A 49 49 SER CB C 49 65.243 66.045 -0.802 2
1 477 . 1 1 A 49 49 SER N N 49 121.077 119.013 2.063 2
1 478 . 1 1 A 50 50 ALA H H 50 8.516 8.401 0.115 2
1 479 . 1 1 A 50 50 ALA HA H 50 4.302 4.489 -0.187 2
1 483 . 1 1 A 50 50 ALA CA C 50 53.052 52.391 0.661 2
1 484 . 1 1 A 50 50 ALA CB C 50 18.821 18.181 0.639 2
1 485 . 1 1 A 50 50 ALA N N 50 123.977 126.720 -2.743 2
1 486 . 1 1 A 51 51 SER H H 51 9.564 8.371 1.193 2
1 487 . 1 1 A 51 51 SER HA H 51 4.797 4.870 -0.073 2
1 490 . 1 1 A 51 51 SER CA C 51 56.946 57.168 -0.222 2
1 491 . 1 1 A 51 51 SER CB C 51 65.759 65.962 -0.203 2
1 492 . 1 1 A 51 51 SER N N 51 117.545 117.559 -0.014 2
1 494 . 1 1 A 52 52 ASN CA C 52 55.930 54.345 1.585 2
1 495 . 1 1 A 52 52 ASN CB C 52 37.045 38.435 -1.391 2
1 496 . 1 1 A 53 53 LYS H H 53 8.053 8.842 -0.789 2
1 497 . 1 1 A 53 53 LYS HA H 53 3.995 3.993 0.002 2
1 506 . 1 1 A 53 53 LYS CA C 53 53.699 57.769 -4.070 2
1 507 . 1 1 A 53 53 LYS CB C 53 33.687 32.020 1.667 2
1 511 . 1 1 A 53 53 LYS N N 53 121.638 123.892 -2.254 2
1 512 . 1 1 A 54 54 TYR H H 54 6.779 7.845 -1.066 2
1 513 . 1 1 A 54 54 TYR HA H 54 5.484 5.277 0.207 2
1 520 . 1 1 A 54 54 TYR CA C 54 55.016 56.523 -1.507 2
1 521 . 1 1 A 54 54 TYR CB C 54 40.147 43.407 -3.260 2
1 526 . 1 1 A 54 54 TYR N N 54 114.754 118.798 -4.044 2
1 527 . 1 1 A 55 55 GLY H H 55 9.666 8.443 1.223 2
1 528 . 1 1 A 55 55 GLY HA2 H 55 4.653 4.241 0.412 2
1 529 . 1 1 A 55 55 GLY HA3 H 55 3.343 4.256 -0.913 2
1 530 . 1 1 A 55 55 GLY CA C 55 44.332 45.396 -1.064 2
1 531 . 1 1 A 55 55 GLY N N 55 110.691 108.758 1.933 2
1 532 . 1 1 A 56 56 LEU H H 56 8.542 8.964 -0.422 2
1 533 . 1 1 A 56 56 LEU HA H 56 5.138 4.915 0.223 2
1 543 . 1 1 A 56 56 LEU CA C 56 54.213 53.762 0.451 2
1 544 . 1 1 A 56 56 LEU CB C 56 45.206 44.190 1.017 2
1 548 . 1 1 A 56 56 LEU N N 56 125.972 126.108 -0.136 2
1 549 . 1 1 A 57 57 ALA H H 57 8.594 8.982 -0.388 2
1 550 . 1 1 A 57 57 ALA HA H 57 4.790 5.019 -0.229 2
1 554 . 1 1 A 57 57 ALA CA C 57 51.318 50.471 0.847 2
1 555 . 1 1 A 57 57 ALA CB C 57 22.564 20.658 1.906 2
1 556 . 1 1 A 57 57 ALA N N 57 124.534 126.689 -2.155 2
1 557 . 1 1 A 58 58 THR H H 58 8.602 8.936 -0.334 2
1 558 . 1 1 A 58 58 THR HA H 58 4.862 4.742 0.119 2
1 563 . 1 1 A 58 58 THR CA C 58 62.034 60.273 1.761 2
1 564 . 1 1 A 58 58 THR CB C 58 72.197 71.125 1.072 2
1 566 . 1 1 A 58 58 THR N N 58 119.396 118.419 0.977 2
1 567 . 1 1 A 59 59 GLU H H 59 8.883 8.595 0.288 2
1 568 . 1 1 A 59 59 GLU HA H 59 4.378 4.566 -0.188 2
1 573 . 1 1 A 59 59 GLU CA C 59 54.955 55.083 -0.128 2
1 574 . 1 1 A 59 59 GLU CB C 59 31.121 30.872 0.249 2
1 576 . 1 1 A 59 59 GLU N N 59 128.594 127.088 1.506 2
1 577 . 1 1 A 60 60 GLY H H 60 9.045 8.892 0.153 2
1 578 . 1 1 A 60 60 GLY HA2 H 60 4.081 3.857 0.224 2
1 579 . 1 1 A 60 60 GLY HA3 H 60 3.529 3.860 -0.331 2
1 580 . 1 1 A 60 60 GLY CA C 60 47.127 47.211 -0.084 2
1 581 . 1 1 A 60 60 GLY N N 60 117.047 115.613 1.434 2
1 582 . 1 1 A 61 61 THR H H 61 8.332 8.570 -0.238 2
1 583 . 1 1 A 61 61 THR HA H 61 4.129 4.528 -0.399 2
1 588 . 1 1 A 61 61 THR CA C 61 61.659 61.861 -0.202 2
1 589 . 1 1 A 61 61 THR CB C 61 68.477 69.310 -0.833 2
1 591 . 1 1 A 61 61 THR N N 61 118.086 119.290 -1.204 2
1 592 . 1 1 A 62 62 ARG H H 62 7.906 7.451 0.455 2
1 593 . 1 1 A 62 62 ARG HA H 62 4.754 5.021 -0.267 2
1 600 . 1 1 A 62 62 ARG CA C 62 56.040 54.757 1.283 2
1 601 . 1 1 A 62 62 ARG CB C 62 31.775 32.662 -0.887 2
1 604 . 1 1 A 62 62 ARG N N 62 121.911 121.594 0.317 2
1 605 . 1 1 A 63 63 HIS H H 63 9.212 9.416 -0.204 2
1 606 . 1 1 A 63 63 HIS HA H 63 5.364 5.340 0.024 2
1 611 . 1 1 A 63 63 HIS CA C 63 55.066 54.724 0.342 2
1 612 . 1 1 A 63 63 HIS CB C 63 33.860 32.885 0.975 2
1 614 . 1 1 A 63 63 HIS N N 63 127.111 121.828 5.283 2
1 615 . 1 1 A 64 64 THR H H 64 9.261 8.979 0.282 2
1 616 . 1 1 A 64 64 THR HA H 64 5.510 5.256 0.254 2
1 621 . 1 1 A 64 64 THR CA C 64 60.691 61.860 -1.169 2
1 622 . 1 1 A 64 64 THR CB C 64 71.788 70.656 1.132 2
1 624 . 1 1 A 64 64 THR N N 64 117.400 117.179 0.221 2
1 625 . 1 1 A 65 65 LEU H H 65 8.456 8.874 -0.418 2
1 626 . 1 1 A 65 65 LEU HA H 65 4.642 4.747 -0.105 2
1 636 . 1 1 A 65 65 LEU CA C 65 52.783 53.171 -0.388 2
1 637 . 1 1 A 65 65 LEU CB C 65 41.350 43.109 -1.759 2
1 641 . 1 1 A 65 65 LEU N N 65 129.806 129.905 -0.099 2
1 642 . 1 1 A 66 66 THR H H 66 9.381 9.029 0.352 2
1 643 . 1 1 A 66 66 THR HA H 66 4.975 4.843 0.132 2
1 648 . 1 1 A 66 66 THR CA C 66 61.072 61.981 -0.909 2
1 649 . 1 1 A 66 66 THR CB C 66 70.346 69.961 0.385 2
1 651 . 1 1 A 66 66 THR N N 66 123.110 124.142 -1.032 2
1 652 . 1 1 A 67 67 VAL H H 67 9.493 9.104 0.389 2
1 653 . 1 1 A 67 67 VAL HA H 67 4.317 4.639 -0.322 2
1 661 . 1 1 A 67 67 VAL CA C 67 61.300 60.782 0.518 2
1 662 . 1 1 A 67 67 VAL CB C 67 31.636 34.581 -2.945 2
1 665 . 1 1 A 67 67 VAL N N 67 128.451 125.541 2.910 2
1 666 . 1 1 A 68 68 ARG H H 68 8.500 8.720 -0.220 2
1 667 . 1 1 A 68 68 ARG HA H 68 3.839 4.334 -0.495 2
1 674 . 1 1 A 68 68 ARG CA C 68 57.379 56.692 0.687 2
1 675 . 1 1 A 68 68 ARG CB C 68 30.481 30.502 -0.021 2
1 678 . 1 1 A 68 68 ARG N N 68 124.308 127.127 -2.820 2
1 679 . 1 1 A 69 69 GLU H H 69 8.545 7.975 0.570 2
1 680 . 1 1 A 69 69 GLU HA H 69 3.147 4.121 -0.974 2
1 685 . 1 1 A 69 69 GLU CA C 69 55.733 58.030 -2.297 2
1 686 . 1 1 A 69 69 GLU CB C 69 28.793 29.631 -0.838 2
1 688 . 1 1 A 69 69 GLU N N 69 118.177 119.325 -1.148 2
1 689 . 1 1 A 70 70 VAL H H 70 7.771 7.323 0.448 2
1 690 . 1 1 A 70 70 VAL HA H 70 3.810 4.040 -0.230 2
1 698 . 1 1 A 70 70 VAL CA C 70 63.848 62.672 1.176 2
1 699 . 1 1 A 70 70 VAL CB C 70 31.885 32.318 -0.433 2
1 702 . 1 1 A 70 70 VAL N N 70 117.579 119.647 -2.068 2
1 703 . 1 1 A 71 71 GLY H H 71 9.389 8.380 1.009 2
1 704 . 1 1 A 71 71 GLY HA2 H 71 4.470 4.223 0.247 2
1 705 . 1 1 A 71 71 GLY HA3 H 71 3.895 4.226 -0.331 2
1 706 . 1 1 A 71 71 GLY CA C 71 43.915 45.269 -1.354 2
1 707 . 1 1 A 71 71 GLY N N 71 114.169 114.439 -0.270 2
1 708 . 1 1 A 72 72 PRO HA H 72 4.038 4.437 -0.399 2
1 715 . 1 1 A 72 72 PRO CA C 72 65.800 64.647 1.152 2
1 716 . 1 1 A 72 72 PRO CB C 72 31.553 31.799 -0.247 2
1 719 . 1 1 A 73 73 ALA H H 73 8.558 8.324 0.234 2
1 720 . 1 1 A 73 73 ALA HA H 73 4.186 4.301 -0.115 2
1 724 . 1 1 A 73 73 ALA CA C 73 53.826 53.504 0.322 2
1 725 . 1 1 A 73 73 ALA CB C 73 18.152 19.137 -0.985 2
1 726 . 1 1 A 73 73 ALA N N 73 118.164 119.826 -1.662 2
1 727 . 1 1 A 74 74 ASP H H 74 8.381 7.786 0.595 2
1 728 . 1 1 A 74 74 ASP HA H 74 4.586 4.699 -0.113 2
1 731 . 1 1 A 74 74 ASP CA C 74 55.178 54.521 0.657 2
1 732 . 1 1 A 74 74 ASP CB C 74 42.280 41.579 0.701 2
1 733 . 1 1 A 74 74 ASP N N 74 113.856 116.898 -3.042 2
1 734 . 1 1 A 75 75 GLN H H 75 7.409 7.716 -0.307 2
1 735 . 1 1 A 75 75 GLN HA H 75 4.252 4.441 -0.189 2
1 740 . 1 1 A 75 75 GLN CA C 75 56.682 55.575 1.107 2
1 741 . 1 1 A 75 75 GLN CB C 75 30.337 27.846 2.491 2
1 743 . 1 1 A 75 75 GLN N N 75 119.456 120.349 -0.893 2
1 744 . 1 1 A 76 76 GLY H H 76 8.984 8.371 0.613 2
1 745 . 1 1 A 76 76 GLY HA2 H 76 4.610 4.151 0.459 2
1 746 . 1 1 A 76 76 GLY HA3 H 76 3.863 4.168 -0.305 2
1 747 . 1 1 A 76 76 GLY CA C 76 44.149 45.559 -1.410 2
1 748 . 1 1 A 76 76 GLY N N 76 112.000 112.341 -0.341 2
1 749 . 1 1 A 77 77 SER H H 77 8.106 8.664 -0.558 2
1 750 . 1 1 A 77 77 SER HA H 77 5.009 5.408 -0.399 2
1 753 . 1 1 A 77 77 SER CA C 77 58.199 56.490 1.708 2
1 754 . 1 1 A 77 77 SER CB C 77 64.099 66.201 -2.102 2
1 755 . 1 1 A 77 77 SER N N 77 114.587 116.487 -1.900 2
1 756 . 1 1 A 78 78 TYR H H 78 9.056 8.881 0.175 2
1 757 . 1 1 A 78 78 TYR HA H 78 4.530 4.879 -0.349 2
1 764 . 1 1 A 78 78 TYR CA C 78 56.450 56.212 0.238 2
1 765 . 1 1 A 78 78 TYR CB C 78 43.805 40.203 3.602 2
1 770 . 1 1 A 78 78 TYR N N 78 127.751 121.421 6.330 2
1 771 . 1 1 A 79 79 ALA H H 79 8.558 8.700 -0.142 2
1 772 . 1 1 A 79 79 ALA HA H 79 5.233 5.306 -0.073 2
1 776 . 1 1 A 79 79 ALA CA C 79 50.806 49.880 0.926 2
1 777 . 1 1 A 79 79 ALA CB C 79 23.130 22.511 0.619 2
1 778 . 1 1 A 79 79 ALA N N 79 118.647 125.345 -6.698 2
1 779 . 1 1 A 80 80 VAL H H 80 8.717 8.622 0.095 2
1 780 . 1 1 A 80 80 VAL HA H 80 4.905 4.581 0.324 2
1 788 . 1 1 A 80 80 VAL CA C 80 58.760 60.145 -1.385 2
1 789 . 1 1 A 80 80 VAL CB C 80 35.087 34.641 0.446 2
1 792 . 1 1 A 80 80 VAL N N 80 118.846 118.195 0.651 2
1 793 . 1 1 A 81 81 ILE H H 81 8.739 8.891 -0.152 2
1 794 . 1 1 A 81 81 ILE HA H 81 5.012 5.131 -0.119 2
1 804 . 1 1 A 81 81 ILE CA C 81 59.751 59.690 0.061 2
1 805 . 1 1 A 81 81 ILE CB C 81 42.030 40.828 1.202 2
1 809 . 1 1 A 81 81 ILE N N 81 126.232 129.638 -3.406 2
1 810 . 1 1 A 82 82 ALA H H 82 8.388 8.663 -0.275 2
1 811 . 1 1 A 82 82 ALA HA H 82 4.449 4.504 -0.055 2
1 815 . 1 1 A 82 82 ALA CA C 82 50.839 50.937 -0.098 2
1 816 . 1 1 A 82 82 ALA CB C 82 21.160 20.343 0.816 2
1 817 . 1 1 A 82 82 ALA N N 82 128.273 127.617 0.656 2
1 818 . 1 1 A 83 83 GLY H H 83 8.841 8.913 -0.072 2
1 819 . 1 1 A 83 83 GLY HA2 H 83 3.815 3.838 -0.023 2
1 820 . 1 1 A 83 83 GLY HA3 H 83 3.509 3.847 -0.338 2
1 821 . 1 1 A 83 83 GLY CA C 83 46.917 47.254 -0.337 2
1 822 . 1 1 A 83 83 GLY N N 83 113.065 114.636 -1.571 2
1 823 . 1 1 A 85 85 SER H H 85 8.423 7.786 0.637 2
1 824 . 1 1 A 85 85 SER HA H 85 4.659 4.533 0.126 2
1 827 . 1 1 A 85 85 SER CA C 85 58.485 58.349 0.136 2
1 828 . 1 1 A 85 85 SER CB C 85 64.397 64.282 0.115 2
1 829 . 1 1 A 85 85 SER N N 85 119.428 116.742 2.686 2
1 830 . 1 1 A 86 86 LYS H H 86 8.490 8.710 -0.220 2
1 831 . 1 1 A 86 86 LYS HA H 86 5.243 5.064 0.179 2
1 840 . 1 1 A 86 86 LYS CA C 86 54.822 54.690 0.132 2
1 841 . 1 1 A 86 86 LYS CB C 86 35.340 35.417 -0.077 2
1 845 . 1 1 A 86 86 LYS N N 86 125.678 126.215 -0.537 2
1 846 . 1 1 A 87 87 VAL H H 87 8.863 8.583 0.280 2
1 847 . 1 1 A 87 87 VAL HA H 87 4.300 4.756 -0.456 2
1 855 . 1 1 A 87 87 VAL CA C 87 60.870 59.420 1.449 2
1 856 . 1 1 A 87 87 VAL CB C 87 34.228 35.085 -0.857 2
1 859 . 1 1 A 87 87 VAL N N 87 126.631 122.761 3.870 2
1 860 . 1 1 A 88 88 LYS H H 88 8.475 8.850 -0.375 2
1 861 . 1 1 A 88 88 LYS HA H 88 5.065 4.995 0.070 2
1 870 . 1 1 A 88 88 LYS CA C 88 55.124 54.476 0.648 2
1 871 . 1 1 A 88 88 LYS CB C 88 34.479 36.243 -1.764 2
1 874 . 1 1 A 88 88 LYS N N 88 125.592 123.963 1.629 2
1 875 . 1 1 A 89 89 PHE H H 89 8.152 8.239 -0.087 2
1 876 . 1 1 A 89 89 PHE HA H 89 4.601 5.621 -1.020 2
1 884 . 1 1 A 89 89 PHE CA C 89 56.311 55.087 1.224 2
1 885 . 1 1 A 89 89 PHE CB C 89 39.383 42.159 -2.776 2
1 888 . 1 1 A 89 89 PHE N N 89 119.005 117.902 1.103 2
1 889 . 1 1 A 90 90 ASP H H 90 9.006 8.966 0.040 2
1 890 . 1 1 A 90 90 ASP HA H 90 5.565 5.322 0.243 2
1 893 . 1 1 A 90 90 ASP CA C 90 53.532 53.646 -0.114 2
1 894 . 1 1 A 90 90 ASP CB C 90 45.151 43.088 2.063 2
1 895 . 1 1 A 90 90 ASP N N 90 118.742 120.385 -1.643 2
1 896 . 1 1 A 91 91 LEU H H 91 8.733 8.939 -0.206 2
1 897 . 1 1 A 91 91 LEU HA H 91 5.137 5.207 -0.070 2
1 907 . 1 1 A 91 91 LEU CA C 91 54.171 53.738 0.433 2
1 908 . 1 1 A 91 91 LEU CB C 91 45.625 44.838 0.787 2
1 911 . 1 1 A 91 91 LEU N N 91 121.344 126.080 -4.736 2
1 912 . 1 1 A 92 92 LYS H H 92 8.892 8.699 0.193 2
1 913 . 1 1 A 92 92 LYS HA H 92 4.733 4.739 -0.006 2
1 922 . 1 1 A 92 92 LYS CA C 92 54.910 56.067 -1.157 2
1 923 . 1 1 A 92 92 LYS CB C 92 35.261 33.715 1.546 2
1 927 . 1 1 A 92 92 LYS N N 92 128.486 127.067 1.419 2
1 928 . 1 1 A 93 93 VAL H H 93 8.563 8.632 -0.069 2
1 929 . 1 1 A 93 93 VAL HA H 93 4.818 5.113 -0.295 2
1 937 . 1 1 A 93 93 VAL CA C 93 60.568 61.125 -0.557 2
1 938 . 1 1 A 93 93 VAL CB C 93 33.024 34.142 -1.118 2
1 941 . 1 1 A 93 93 VAL N N 93 124.459 122.486 1.973 2
1 942 . 1 1 A 94 94 ILE H H 94 8.395 8.857 -0.462 2
1 943 . 1 1 A 94 94 ILE HA H 94 4.162 4.686 -0.524 2
1 953 . 1 1 A 94 94 ILE CA C 94 60.238 59.876 0.362 2
1 954 . 1 1 A 94 94 ILE CB C 94 39.279 39.926 -0.647 2
1 958 . 1 1 A 94 94 ILE N N 94 126.433 127.442 -1.009 2
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