data_16251_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16251
_Entry.PDB_ID 2KHQ
_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 13 . 1 1 1 A 2 2 ILE HA H 2 4.615 4.530 0.085 1
1 23 . 1 1 1 A 2 2 ILE C C 2 175.630 175.758 -0.128 1
1 24 . 1 1 1 A 2 2 ILE CA C 2 60.619 61.369 -0.750 1
1 25 . 1 1 1 A 2 2 ILE CB C 2 40.542 39.494 1.048 1
1 29 . 1 1 1 A 3 3 THR H H 3 9.133 8.601 0.532 1
1 30 . 1 1 1 A 3 3 THR HA H 3 4.656 4.815 -0.159 1
1 36 . 1 1 1 A 3 3 THR C C 3 174.729 175.570 -0.841 1
1 37 . 1 1 1 A 3 3 THR CA C 3 61.509 61.020 0.489 1
1 38 . 1 1 1 A 3 3 THR CB C 3 69.896 71.050 -1.154 1
1 40 . 1 1 1 A 3 3 THR N N 3 119.091 117.768 1.323 1
1 41 . 1 1 1 A 4 4 PHE H H 4 8.642 9.565 -0.923 1
1 42 . 1 1 1 A 4 4 PHE HA H 4 4.576 4.136 0.440 1
1 50 . 1 1 1 A 4 4 PHE C C 4 176.302 177.435 -1.133 1
1 51 . 1 1 1 A 4 4 PHE CA C 4 58.368 62.598 -4.230 1
1 52 . 1 1 1 A 4 4 PHE CB C 4 37.526 39.304 -1.778 1
1 56 . 1 1 1 A 4 4 PHE N N 4 122.510 123.181 -0.671 1
1 57 . 1 1 1 A 5 5 ALA H H 5 9.195 8.411 0.784 1
1 58 . 1 1 1 A 5 5 ALA HA H 5 3.692 4.056 -0.364 1
1 62 . 1 1 1 A 5 5 ALA C C 5 178.210 179.396 -1.186 1
1 63 . 1 1 1 A 5 5 ALA CA C 5 56.073 55.386 0.687 1
1 64 . 1 1 1 A 5 5 ALA CB C 5 17.897 18.452 -0.555 1
1 65 . 1 1 1 A 5 5 ALA N N 5 120.106 121.353 -1.247 1
1 66 . 1 1 1 A 6 6 ASP H H 6 7.978 8.019 -0.041 1
1 67 . 1 1 1 A 6 6 ASP HA H 6 4.615 4.592 0.023 1
1 70 . 1 1 1 A 6 6 ASP C C 6 179.370 178.272 1.098 1
1 71 . 1 1 1 A 6 6 ASP CA C 6 57.369 57.330 0.039 1
1 72 . 1 1 1 A 6 6 ASP CB C 6 39.556 40.949 -1.393 1
1 73 . 1 1 1 A 6 6 ASP N N 6 115.486 118.566 -3.080 1
1 74 . 1 1 1 A 7 7 TYR H H 7 8.776 8.381 0.395 1
1 75 . 1 1 1 A 7 7 TYR HA H 7 3.984 4.378 -0.394 1
1 82 . 1 1 1 A 7 7 TYR C C 7 176.232 177.651 -1.419 1
1 83 . 1 1 1 A 7 7 TYR CA C 7 62.241 61.610 0.631 1
1 84 . 1 1 1 A 7 7 TYR CB C 7 38.521 38.548 -0.027 1
1 87 . 1 1 1 A 7 7 TYR N N 7 120.885 120.855 0.030 1
1 88 . 1 1 1 A 8 8 PHE H H 8 9.024 8.522 0.502 1
1 89 . 1 1 1 A 8 8 PHE HA H 8 3.732 4.285 -0.553 1
1 97 . 1 1 1 A 8 8 PHE C C 8 176.261 177.056 -0.795 1
1 98 . 1 1 1 A 8 8 PHE CA C 8 62.936 62.089 0.847 1
1 99 . 1 1 1 A 8 8 PHE CB C 8 39.553 38.938 0.615 1
1 103 . 1 1 1 A 8 8 PHE N N 8 118.754 121.204 -2.450 1
1 104 . 1 1 1 A 9 9 TYR H H 9 8.202 8.173 0.029 1
1 105 . 1 1 1 A 9 9 TYR HA H 9 3.742 4.048 -0.306 1
1 112 . 1 1 1 A 9 9 TYR C C 9 176.496 177.225 -0.729 1
1 113 . 1 1 1 A 9 9 TYR CA C 9 62.939 61.297 1.642 1
1 114 . 1 1 1 A 9 9 TYR CB C 9 37.941 38.110 -0.169 1
1 117 . 1 1 1 A 9 9 TYR N N 9 117.271 120.374 -3.103 1
1 118 . 1 1 1 A 10 10 GLN H H 10 8.029 8.435 -0.406 1
1 119 . 1 1 1 A 10 10 GLN HA H 10 3.928 3.971 -0.043 1
1 126 . 1 1 1 A 10 10 GLN C C 10 177.393 177.768 -0.375 1
1 127 . 1 1 1 A 10 10 GLN CA C 10 58.717 58.246 0.471 1
1 128 . 1 1 1 A 10 10 GLN CB C 10 28.482 28.621 -0.139 1
1 130 . 1 1 1 A 10 10 GLN N N 10 117.935 117.988 -0.053 1
1 132 . 1 1 1 A 11 11 TRP H H 11 8.772 8.537 0.235 1
1 133 . 1 1 1 A 11 11 TRP HA H 11 3.690 4.120 -0.430 1
1 142 . 1 1 1 A 11 11 TRP C C 11 178.487 177.601 0.886 1
1 143 . 1 1 1 A 11 11 TRP CA C 11 61.256 60.532 0.724 1
1 144 . 1 1 1 A 11 11 TRP CB C 11 27.472 29.160 -1.688 1
1 150 . 1 1 1 A 11 11 TRP N N 11 121.577 121.904 -0.327 1
1 152 . 1 1 1 A 12 12 TYR H H 12 8.168 8.005 0.163 1
1 153 . 1 1 1 A 12 12 TYR HA H 12 2.938 3.301 -0.363 1
1 160 . 1 1 1 A 12 12 TYR C C 12 177.277 177.154 0.123 1
1 161 . 1 1 1 A 12 12 TYR CA C 12 59.178 60.917 -1.739 1
1 162 . 1 1 1 A 12 12 TYR CB C 12 36.729 38.247 -1.518 1
1 165 . 1 1 1 A 12 12 TYR N N 12 121.811 121.191 0.620 1
1 166 . 1 1 1 A 13 13 GLU H H 13 8.434 8.041 0.393 1
1 167 . 1 1 1 A 13 13 GLU HA H 13 2.996 3.330 -0.334 1
1 172 . 1 1 1 A 13 13 GLU C C 13 177.157 178.542 -1.385 1
1 173 . 1 1 1 A 13 13 GLU CA C 13 59.164 58.672 0.492 1
1 174 . 1 1 1 A 13 13 GLU CB C 13 29.447 28.947 0.500 1
1 176 . 1 1 1 A 13 13 GLU N N 13 123.599 119.233 4.366 1
1 177 . 1 1 1 A 14 14 VAL H H 14 7.605 7.441 0.164 1
1 178 . 1 1 1 A 14 14 VAL HA H 14 3.562 3.563 -0.001 1
1 186 . 1 1 1 A 14 14 VAL C C 14 177.289 176.791 0.498 1
1 187 . 1 1 1 A 14 14 VAL CA C 14 64.338 65.733 -1.395 1
1 188 . 1 1 1 A 14 14 VAL CB C 14 32.669 31.145 1.524 1
1 191 . 1 1 1 A 14 14 VAL N N 14 113.566 119.767 -6.201 1
1 192 . 1 1 1 A 15 15 ASN H H 15 7.482 7.505 -0.023 1
1 193 . 1 1 1 A 15 15 ASN HA H 15 4.429 4.661 -0.232 1
1 198 . 1 1 1 A 15 15 ASN C C 15 175.201 176.508 -1.307 1
1 199 . 1 1 1 A 15 15 ASN CA C 15 55.218 54.121 1.097 1
1 200 . 1 1 1 A 15 15 ASN CB C 15 39.927 39.368 0.559 1
1 201 . 1 1 1 A 15 15 ASN N N 15 112.195 117.137 -4.942 1
1 203 . 1 1 1 A 16 16 LYS H H 16 7.413 7.551 -0.138 1
1 204 . 1 1 1 A 16 16 LYS HA H 16 4.338 4.046 0.292 1
1 213 . 1 1 1 A 16 16 LYS C C 16 175.309 178.565 -3.256 1
1 214 . 1 1 1 A 16 16 LYS CA C 16 54.807 58.116 -3.309 1
1 215 . 1 1 1 A 16 16 LYS CB C 16 32.665 32.075 0.590 1
1 219 . 1 1 1 A 16 16 LYS N N 16 115.814 117.818 -2.004 1
1 220 . 1 1 1 A 17 17 LEU H H 17 7.490 7.769 -0.279 1
1 221 . 1 1 1 A 17 17 LEU HA H 17 3.603 3.447 0.156 1
1 231 . 1 1 1 A 17 17 LEU C C 17 173.754 174.862 -1.108 1
1 232 . 1 1 1 A 17 17 LEU CA C 17 59.847 59.604 0.243 1
1 233 . 1 1 1 A 17 17 LEU CB C 17 39.552 39.368 0.184 1
1 237 . 1 1 1 A 17 17 LEU N N 17 121.586 121.474 0.112 1
1 238 . 1 1 1 A 18 18 PRO HA H 18 4.107 4.181 -0.074 1
1 245 . 1 1 1 A 18 18 PRO C C 18 176.412 177.002 -0.590 1
1 246 . 1 1 1 A 18 18 PRO CA C 18 64.656 64.826 -0.170 1
1 247 . 1 1 1 A 18 18 PRO CB C 18 30.980 31.079 -0.099 1
1 250 . 1 1 1 A 19 19 HIS H H 19 7.631 7.795 -0.164 1
1 251 . 1 1 1 A 19 19 HIS HA H 19 4.857 4.606 0.251 1
1 256 . 1 1 1 A 19 19 HIS C C 19 175.822 175.112 0.710 1
1 257 . 1 1 1 A 19 19 HIS CA C 19 55.004 56.061 -1.057 1
1 258 . 1 1 1 A 19 19 HIS CB C 19 32.358 30.742 1.616 1
1 260 . 1 1 1 A 19 19 HIS N N 19 111.190 114.792 -3.602 1
1 263 . 1 1 1 A 20 20 VAL H H 20 7.124 7.120 0.004 1
1 264 . 1 1 1 A 20 20 VAL HA H 20 4.728 4.751 -0.023 1
1 272 . 1 1 1 A 20 20 VAL C C 20 175.497 174.963 0.534 1
1 273 . 1 1 1 A 20 20 VAL CA C 20 60.134 59.610 0.524 1
1 274 . 1 1 1 A 20 20 VAL CB C 20 34.199 35.061 -0.862 1
1 277 . 1 1 1 A 20 20 VAL N N 20 112.191 113.946 -1.755 1
1 278 . 1 1 1 A 21 21 SER H H 21 8.589 8.684 -0.095 1
1 279 . 1 1 1 A 21 21 SER HA H 21 4.531 4.729 -0.198 1
1 282 . 1 1 1 A 21 21 SER C C 21 174.840 175.463 -0.623 1
1 283 . 1 1 1 A 21 21 SER CA C 21 57.236 57.416 -0.180 1
1 284 . 1 1 1 A 21 21 SER CB C 21 65.251 66.388 -1.137 1
1 285 . 1 1 1 A 21 21 SER N N 21 116.825 117.090 -0.265 1
1 286 . 1 1 1 A 22 22 GLU H H 22 8.964 9.158 -0.194 1
1 287 . 1 1 1 A 22 22 GLU HA H 22 3.922 4.130 -0.208 1
1 292 . 1 1 1 A 22 22 GLU C C 22 178.606 178.936 -0.330 1
1 293 . 1 1 1 A 22 22 GLU CA C 22 59.837 59.141 0.696 1
1 294 . 1 1 1 A 22 22 GLU CB C 22 29.239 29.027 0.212 1
1 296 . 1 1 1 A 22 22 GLU N N 22 120.863 123.121 -2.258 1
1 297 . 1 1 1 A 23 23 SER H H 23 8.426 8.144 0.282 1
1 298 . 1 1 1 A 23 23 SER HA H 23 4.151 4.241 -0.090 1
1 301 . 1 1 1 A 23 23 SER C C 23 176.977 176.671 0.306 1
1 302 . 1 1 1 A 23 23 SER CA C 23 61.220 62.642 -1.422 1
1 303 . 1 1 1 A 23 23 SER CB C 23 62.252 63.145 -0.893 1
1 304 . 1 1 1 A 23 23 SER N N 23 112.196 117.733 -5.537 1
1 305 . 1 1 1 A 24 24 THR H H 24 7.749 7.932 -0.183 1
1 306 . 1 1 1 A 24 24 THR HA H 24 4.163 4.316 -0.153 1
1 311 . 1 1 1 A 24 24 THR C C 24 176.523 177.222 -0.699 1
1 312 . 1 1 1 A 24 24 THR CA C 24 66.045 66.282 -0.237 1
1 313 . 1 1 1 A 24 24 THR CB C 24 68.305 68.779 -0.474 1
1 315 . 1 1 1 A 24 24 THR N N 24 120.348 118.239 2.109 1
1 316 . 1 1 1 A 25 25 LYS H H 25 8.605 8.094 0.511 1
1 317 . 1 1 1 A 25 25 LYS HA H 25 4.064 4.399 -0.335 1
1 326 . 1 1 1 A 25 25 LYS C C 25 178.447 179.591 -1.144 1
1 327 . 1 1 1 A 25 25 LYS CA C 25 61.087 60.294 0.793 1
1 328 . 1 1 1 A 25 25 LYS CB C 25 32.717 32.426 0.291 1
1 332 . 1 1 1 A 25 25 LYS N N 25 123.593 120.904 2.689 1
1 333 . 1 1 1 A 26 26 ARG H H 26 7.485 8.194 -0.709 1
1 334 . 1 1 1 A 26 26 ARG HA H 26 4.146 4.205 -0.059 1
1 341 . 1 1 1 A 26 26 ARG C C 26 179.845 178.687 1.158 1
1 342 . 1 1 1 A 26 26 ARG CA C 26 58.916 58.618 0.298 1
1 343 . 1 1 1 A 26 26 ARG CB C 26 30.384 29.982 0.402 1
1 346 . 1 1 1 A 26 26 ARG N N 26 114.116 117.938 -3.822 1
1 347 . 1 1 1 A 27 27 HIS H H 27 7.677 8.081 -0.404 1
1 348 . 1 1 1 A 27 27 HIS HA H 27 4.757 4.409 0.348 1
1 353 . 1 1 1 A 27 27 HIS C C 27 179.743 177.499 2.244 1
1 354 . 1 1 1 A 27 27 HIS CA C 27 58.659 59.407 -0.748 1
1 355 . 1 1 1 A 27 27 HIS CB C 27 30.967 29.827 1.140 1
1 358 . 1 1 1 A 27 27 HIS N N 27 119.389 118.377 1.012 1
1 361 . 1 1 1 A 28 28 TYR H H 28 8.119 8.091 0.028 1
1 362 . 1 1 1 A 28 28 TYR HA H 28 4.009 4.218 -0.209 1
1 369 . 1 1 1 A 28 28 TYR C C 28 178.685 178.730 -0.045 1
1 370 . 1 1 1 A 28 28 TYR CA C 28 63.311 61.814 1.497 1
1 371 . 1 1 1 A 28 28 TYR CB C 28 38.879 37.373 1.506 1
1 374 . 1 1 1 A 28 28 TYR N N 28 121.786 117.452 4.334 1
1 375 . 1 1 1 A 29 29 GLU H H 29 8.631 9.081 -0.450 1
1 376 . 1 1 1 A 29 29 GLU HA H 29 4.067 4.420 -0.353 1
1 381 . 1 1 1 A 29 29 GLU C C 29 179.950 179.223 0.727 1
1 382 . 1 1 1 A 29 29 GLU CA C 29 59.827 60.113 -0.286 1
1 383 . 1 1 1 A 29 29 GLU CB C 29 29.172 29.710 -0.538 1
1 385 . 1 1 1 A 29 29 GLU N N 29 119.090 120.488 -1.398 1
1 386 . 1 1 1 A 30 30 SER H H 30 8.307 8.332 -0.025 1
1 387 . 1 1 1 A 30 30 SER HA H 30 4.467 4.330 0.137 1
1 390 . 1 1 1 A 30 30 SER C C 30 177.445 176.461 0.984 1
1 391 . 1 1 1 A 30 30 SER CA C 30 61.068 61.986 -0.918 1
1 392 . 1 1 1 A 30 30 SER CB C 30 63.054 63.037 0.017 1
1 393 . 1 1 1 A 30 30 SER N N 30 115.027 116.839 -1.812 1
1 394 . 1 1 1 A 31 31 ALA H H 31 8.319 7.736 0.583 1
1 395 . 1 1 1 A 31 31 ALA HA H 31 4.070 4.195 -0.125 1
1 399 . 1 1 1 A 31 31 ALA C C 31 178.488 179.066 -0.578 1
1 400 . 1 1 1 A 31 31 ALA CA C 31 55.926 55.005 0.921 1
1 401 . 1 1 1 A 31 31 ALA CB C 31 18.510 18.511 -0.001 1
1 402 . 1 1 1 A 31 31 ALA N N 31 124.966 123.756 1.210 1
1 403 . 1 1 1 A 32 32 TYR H H 32 8.537 9.131 -0.594 1
1 404 . 1 1 1 A 32 32 TYR HA H 32 4.114 4.156 -0.042 1
1 411 . 1 1 1 A 32 32 TYR C C 32 175.705 177.963 -2.258 1
1 412 . 1 1 1 A 32 32 TYR CA C 32 60.480 62.221 -1.741 1
1 413 . 1 1 1 A 32 32 TYR CB C 32 37.864 39.189 -1.325 1
1 416 . 1 1 1 A 32 32 TYR N N 32 116.814 120.423 -3.609 1
1 417 . 1 1 1 A 33 33 LYS H H 33 7.988 8.356 -0.368 1
1 418 . 1 1 1 A 33 33 LYS HA H 33 3.513 3.781 -0.268 1
1 427 . 1 1 1 A 33 33 LYS C C 33 178.474 179.528 -1.054 1
1 428 . 1 1 1 A 33 33 LYS CA C 33 59.810 59.577 0.233 1
1 429 . 1 1 1 A 33 33 LYS CB C 33 32.000 32.101 -0.101 1
1 433 . 1 1 1 A 33 33 LYS N N 33 119.358 118.058 1.300 1
1 434 . 1 1 1 A 34 34 HIS H H 34 8.187 7.725 0.462 1
1 435 . 1 1 1 A 34 34 HIS HA H 34 4.449 4.571 -0.122 1
1 440 . 1 1 1 A 34 34 HIS C C 34 178.948 178.139 0.809 1
1 441 . 1 1 1 A 34 34 HIS CA C 34 60.883 60.783 0.100 1
1 442 . 1 1 1 A 34 34 HIS CB C 34 28.843 31.459 -2.616 1
1 445 . 1 1 1 A 34 34 HIS N N 34 116.156 118.762 -2.606 1
1 448 . 1 1 1 A 35 35 ILE H H 35 8.676 8.448 0.228 1
1 449 . 1 1 1 A 35 35 ILE HA H 35 3.513 3.613 -0.100 1
1 459 . 1 1 1 A 35 35 ILE C C 35 177.630 178.480 -0.850 1
1 460 . 1 1 1 A 35 35 ILE CA C 35 65.690 65.159 0.531 1
1 461 . 1 1 1 A 35 35 ILE CB C 35 38.481 37.566 0.915 1
1 465 . 1 1 1 A 35 35 ILE N N 35 121.824 120.535 1.289 1
1 466 . 1 1 1 A 36 36 LYS H H 36 8.797 8.706 0.091 1
1 467 . 1 1 1 A 36 36 LYS HA H 36 3.712 4.018 -0.306 1
1 476 . 1 1 1 A 36 36 LYS C C 36 179.397 178.457 0.940 1
1 477 . 1 1 1 A 36 36 LYS CA C 36 59.860 58.892 0.968 1
1 478 . 1 1 1 A 36 36 LYS CB C 36 31.878 31.432 0.446 1
1 482 . 1 1 1 A 36 36 LYS N N 36 121.589 120.461 1.128 1
1 483 . 1 1 1 A 37 37 ASP H H 37 8.246 7.917 0.329 1
1 484 . 1 1 1 A 37 37 ASP HA H 37 4.336 4.224 0.112 1
1 487 . 1 1 1 A 37 37 ASP C C 37 177.234 178.260 -1.026 1
1 488 . 1 1 1 A 37 37 ASP CA C 37 56.932 57.200 -0.268 1
1 489 . 1 1 1 A 37 37 ASP CB C 37 40.576 41.581 -1.005 1
1 490 . 1 1 1 A 37 37 ASP N N 37 118.225 120.546 -2.321 1
1 491 . 1 1 1 A 38 38 HIS H H 38 7.867 7.493 0.374 1
1 492 . 1 1 1 A 38 38 HIS HA H 38 4.284 4.284 0.000 1
1 496 . 1 1 1 A 38 38 HIS C C 38 176.839 175.380 1.459 1
1 497 . 1 1 1 A 38 38 HIS CA C 38 59.389 58.843 0.546 1
1 498 . 1 1 1 A 38 38 HIS CB C 38 31.630 30.788 0.842 1
1 500 . 1 1 1 A 38 38 HIS N N 38 115.487 115.456 0.031 1
1 501 . 1 1 1 A 39 39 PHE H H 39 9.082 8.555 0.527 1
1 502 . 1 1 1 A 39 39 PHE HA H 39 4.369 4.725 -0.356 1
1 510 . 1 1 1 A 39 39 PHE C C 39 175.890 175.715 0.175 1
1 511 . 1 1 1 A 39 39 PHE CA C 39 60.159 56.449 3.710 1
1 512 . 1 1 1 A 39 39 PHE CB C 39 38.850 37.341 1.509 1
1 516 . 1 1 1 A 39 39 PHE N N 39 114.327 115.859 -1.532 1
1 517 . 1 1 1 A 40 40 ARG H H 40 8.104 8.464 -0.360 1
1 518 . 1 1 1 A 40 40 ARG HA H 40 3.921 4.336 -0.415 1
1 525 . 1 1 1 A 40 40 ARG C C 40 176.892 177.887 -0.995 1
1 526 . 1 1 1 A 40 40 ARG CA C 40 58.009 58.757 -0.748 1
1 527 . 1 1 1 A 40 40 ARG CB C 40 27.531 30.968 -3.437 1
1 530 . 1 1 1 A 40 40 ARG N N 40 118.379 124.967 -6.588 1
1 531 . 1 1 1 A 41 41 HIS H H 41 8.589 8.007 0.582 1
1 532 . 1 1 1 A 41 41 HIS HA H 41 4.910 4.875 0.035 1
1 536 . 1 1 1 A 41 41 HIS C C 41 174.835 174.975 -0.140 1
1 537 . 1 1 1 A 41 41 HIS CA C 41 55.473 55.118 0.355 1
1 538 . 1 1 1 A 41 41 HIS CB C 41 29.720 29.517 0.203 1
1 540 . 1 1 1 A 41 41 HIS N N 41 123.828 113.546 10.282 1
1 541 . 1 1 1 A 42 42 LYS H H 42 8.326 7.741 0.585 1
1 542 . 1 1 1 A 42 42 LYS HA H 42 4.181 4.513 -0.332 1
1 551 . 1 1 1 A 42 42 LYS C C 42 177.973 176.265 1.708 1
1 552 . 1 1 1 A 42 42 LYS CA C 42 58.201 56.500 1.701 1
1 553 . 1 1 1 A 42 42 LYS CB C 42 33.047 33.535 -0.488 1
1 557 . 1 1 1 A 42 42 LYS N N 42 121.129 121.927 -0.798 1
1 558 . 1 1 1 A 43 43 LEU H H 43 9.243 8.662 0.581 1
1 559 . 1 1 1 A 43 43 LEU HA H 43 4.346 4.416 -0.070 1
1 569 . 1 1 1 A 43 43 LEU C C 43 177.840 177.991 -0.151 1
1 570 . 1 1 1 A 43 43 LEU CA C 43 55.420 55.094 0.326 1
1 571 . 1 1 1 A 43 43 LEU CB C 43 40.936 42.246 -1.310 1
1 575 . 1 1 1 A 43 43 LEU N N 43 124.529 128.404 -3.875 1
1 576 . 1 1 1 A 44 44 LEU H H 44 8.404 8.461 -0.057 1
1 577 . 1 1 1 A 44 44 LEU HA H 44 3.681 4.008 -0.327 1
1 587 . 1 1 1 A 44 44 LEU C C 44 177.962 177.649 0.313 1
1 588 . 1 1 1 A 44 44 LEU CA C 44 58.773 58.464 0.309 1
1 589 . 1 1 1 A 44 44 LEU CB C 44 42.661 41.234 1.427 1
1 593 . 1 1 1 A 44 44 LEU N N 44 123.643 126.403 -2.760 1
1 594 . 1 1 1 A 45 45 LYS HA H 45 4.126 4.139 -0.013 1
1 603 . 1 1 1 A 45 45 LYS C C 45 175.533 176.518 -0.985 1
1 604 . 1 1 1 A 45 45 LYS CA C 45 57.405 57.484 -0.079 1
1 605 . 1 1 1 A 45 45 LYS CB C 45 31.650 32.210 -0.560 1
1 609 . 1 1 1 A 46 46 ASP H H 46 7.520 7.876 -0.356 1
1 610 . 1 1 1 A 46 46 ASP HA H 46 4.888 4.764 0.124 1
1 613 . 1 1 1 A 46 46 ASP C C 46 175.811 176.200 -0.389 1
1 614 . 1 1 1 A 46 46 ASP CA C 46 54.268 53.311 0.957 1
1 615 . 1 1 1 A 46 46 ASP CB C 46 42.178 41.445 0.733 1
1 616 . 1 1 1 A 46 46 ASP N N 46 118.587 119.090 -0.503 1
1 617 . 1 1 1 A 47 47 ILE H H 47 6.965 7.228 -0.263 1
1 618 . 1 1 1 A 47 47 ILE HA H 47 4.048 3.874 0.174 1
1 628 . 1 1 1 A 47 47 ILE C C 47 175.362 175.196 0.166 1
1 629 . 1 1 1 A 47 47 ILE CA C 47 59.826 61.769 -1.943 1
1 630 . 1 1 1 A 47 47 ILE CB C 47 34.389 37.868 -3.479 1
1 634 . 1 1 1 A 47 47 ILE N N 47 119.126 122.061 -2.935 1
1 635 . 1 1 1 A 48 48 LYS H H 48 8.489 9.244 -0.755 1
1 636 . 1 1 1 A 48 48 LYS HA H 48 4.635 4.422 0.213 1
1 645 . 1 1 1 A 48 48 LYS C C 48 177.252 177.585 -0.333 1
1 646 . 1 1 1 A 48 48 LYS CA C 48 54.357 55.392 -1.035 1
1 647 . 1 1 1 A 48 48 LYS CB C 48 34.753 33.535 1.218 1
1 651 . 1 1 1 A 48 48 LYS N N 48 127.892 127.848 0.044 1
1 652 . 1 1 1 A 49 49 ARG H H 49 8.816 8.820 -0.004 1
1 653 . 1 1 1 A 49 49 ARG HA H 49 4.314 4.089 0.225 1
1 660 . 1 1 1 A 49 49 ARG C C 49 178.464 177.823 0.641 1
1 661 . 1 1 1 A 49 49 ARG CA C 49 60.341 58.476 1.865 1
1 662 . 1 1 1 A 49 49 ARG CB C 49 30.197 29.807 0.390 1
1 665 . 1 1 1 A 49 49 ARG N N 49 122.736 122.251 0.485 1
1 666 . 1 1 1 A 50 50 THR H H 50 8.269 8.061 0.208 1
1 667 . 1 1 1 A 50 50 THR HA H 50 4.079 4.047 0.032 1
1 672 . 1 1 1 A 50 50 THR C C 50 177.316 176.483 0.833 1
1 673 . 1 1 1 A 50 50 THR CA C 50 65.501 65.785 -0.284 1
1 674 . 1 1 1 A 50 50 THR CB C 50 67.951 68.457 -0.506 1
1 676 . 1 1 1 A 50 50 THR N N 50 110.696 112.431 -1.735 1
1 677 . 1 1 1 A 51 51 GLU H H 51 7.260 8.526 -1.266 1
1 678 . 1 1 1 A 51 51 GLU HA H 51 4.239 4.151 0.088 1
1 683 . 1 1 1 A 51 51 GLU C C 51 179.621 178.780 0.841 1
1 684 . 1 1 1 A 51 51 GLU CA C 51 58.921 59.292 -0.371 1
1 685 . 1 1 1 A 51 51 GLU CB C 51 29.916 29.218 0.698 1
1 687 . 1 1 1 A 51 51 GLU N N 51 121.344 120.916 0.428 1
1 688 . 1 1 1 A 52 52 TYR H H 52 8.678 8.236 0.442 1
1 689 . 1 1 1 A 52 52 TYR HA H 52 4.376 4.351 0.025 1
1 697 . 1 1 1 A 52 52 TYR C C 52 176.120 177.602 -1.482 1
1 698 . 1 1 1 A 52 52 TYR CA C 52 62.660 61.798 0.862 1
1 699 . 1 1 1 A 52 52 TYR CB C 52 38.206 38.665 -0.459 1
1 702 . 1 1 1 A 52 52 TYR N N 52 122.483 122.367 0.116 1
1 703 . 1 1 1 A 53 53 GLN H H 53 8.801 8.237 0.564 1
1 704 . 1 1 1 A 53 53 GLN HA H 53 3.721 3.916 -0.195 1
1 711 . 1 1 1 A 53 53 GLN C C 53 177.894 178.509 -0.615 1
1 712 . 1 1 1 A 53 53 GLN CA C 53 58.111 58.656 -0.545 1
1 713 . 1 1 1 A 53 53 GLN CB C 53 28.909 28.522 0.387 1
1 715 . 1 1 1 A 53 53 GLN N N 53 118.817 118.076 0.741 1
1 717 . 1 1 1 A 54 54 LYS H H 54 7.685 7.710 -0.025 1
1 718 . 1 1 1 A 54 54 LYS HA H 54 4.051 4.074 -0.023 1
1 727 . 1 1 1 A 54 54 LYS C C 54 178.918 178.475 0.443 1
1 728 . 1 1 1 A 54 54 LYS CA C 54 59.845 58.559 1.286 1
1 729 . 1 1 1 A 54 54 LYS CB C 54 32.339 32.358 -0.019 1
1 733 . 1 1 1 A 54 54 LYS N N 54 118.629 118.927 -0.298 1
1 734 . 1 1 1 A 55 55 PHE H H 55 7.533 8.213 -0.680 1
1 735 . 1 1 1 A 55 55 PHE HA H 55 3.660 3.800 -0.140 1
1 743 . 1 1 1 A 55 55 PHE C C 55 176.180 176.740 -0.560 1
1 744 . 1 1 1 A 55 55 PHE CA C 55 59.494 61.187 -1.693 1
1 745 . 1 1 1 A 55 55 PHE CB C 55 38.189 39.120 -0.931 1
1 749 . 1 1 1 A 55 55 PHE N N 55 120.449 121.485 -1.036 1
1 750 . 1 1 1 A 56 56 LEU H H 56 8.019 8.275 -0.256 1
1 751 . 1 1 1 A 56 56 LEU HA H 56 3.254 3.575 -0.321 1
1 761 . 1 1 1 A 56 56 LEU C C 56 179.581 179.164 0.417 1
1 762 . 1 1 1 A 56 56 LEU CA C 56 57.366 57.486 -0.120 1
1 763 . 1 1 1 A 56 56 LEU CB C 56 41.462 40.857 0.605 1
1 767 . 1 1 1 A 56 56 LEU N N 56 120.223 119.798 0.425 1
1 768 . 1 1 1 A 57 57 ASN H H 57 8.427 8.481 -0.054 1
1 769 . 1 1 1 A 57 57 ASN HA H 57 4.324 4.448 -0.124 1
1 774 . 1 1 1 A 57 57 ASN C C 57 178.105 177.468 0.637 1
1 775 . 1 1 1 A 57 57 ASN CA C 57 55.194 56.679 -1.485 1
1 776 . 1 1 1 A 57 57 ASN CB C 57 36.948 37.714 -0.766 1
1 777 . 1 1 1 A 57 57 ASN N N 57 118.422 118.555 -0.133 1
1 779 . 1 1 1 A 58 58 GLU H H 58 7.873 7.684 0.189 1
1 780 . 1 1 1 A 58 58 GLU HA H 58 4.063 4.094 -0.031 1
1 785 . 1 1 1 A 58 58 GLU C C 58 179.660 178.731 0.929 1
1 786 . 1 1 1 A 58 58 GLU CA C 58 59.064 59.196 -0.132 1
1 787 . 1 1 1 A 58 58 GLU CB C 58 29.592 29.194 0.398 1
1 789 . 1 1 1 A 58 58 GLU N N 58 121.129 119.732 1.397 1
1 790 . 1 1 1 A 59 59 TYR H H 59 8.638 7.849 0.789 1
1 791 . 1 1 1 A 59 59 TYR HA H 59 3.949 3.974 -0.025 1
1 798 . 1 1 1 A 59 59 TYR C C 59 179.907 178.260 1.647 1
1 799 . 1 1 1 A 59 59 TYR CA C 59 61.870 61.026 0.844 1
1 800 . 1 1 1 A 59 59 TYR CB C 59 38.156 38.150 0.006 1
1 803 . 1 1 1 A 59 59 TYR N N 59 124.461 121.060 3.401 1
1 804 . 1 1 1 A 60 60 GLY H H 60 8.925 8.576 0.349 1
1 805 . 1 1 1 A 60 60 GLY HA2 H 60 3.947 3.955 -0.008 1
1 806 . 1 1 1 A 60 60 GLY HA3 H 60 4.175 3.972 0.203 1
1 807 . 1 1 1 A 60 60 GLY C C 60 173.294 174.818 -1.524 1
1 808 . 1 1 1 A 60 60 GLY CA C 60 46.424 46.021 0.403 1
1 809 . 1 1 1 A 60 60 GLY N N 60 107.578 106.211 1.367 1
1 810 . 1 1 1 A 61 61 LEU H H 61 7.448 7.577 -0.129 1
1 811 . 1 1 1 A 61 61 LEU HA H 61 4.238 4.298 -0.060 1
1 821 . 1 1 1 A 61 61 LEU C C 61 179.159 178.156 1.003 1
1 822 . 1 1 1 A 61 61 LEU CA C 61 57.274 56.030 1.244 1
1 823 . 1 1 1 A 61 61 LEU CB C 61 42.304 42.268 0.036 1
1 827 . 1 1 1 A 61 61 LEU N N 61 118.202 120.268 -2.066 1
1 828 . 1 1 1 A 62 62 THR H H 62 6.974 7.245 -0.271 1
1 829 . 1 1 1 A 62 62 THR HA H 62 4.385 4.431 -0.046 1
1 834 . 1 1 1 A 62 62 THR C C 62 173.170 173.553 -0.383 1
1 835 . 1 1 1 A 62 62 THR CA C 62 59.813 61.688 -1.875 1
1 836 . 1 1 1 A 62 62 THR CB C 62 69.697 70.245 -0.548 1
1 838 . 1 1 1 A 62 62 THR N N 62 101.223 104.485 -3.262 1
1 839 . 1 1 1 A 63 63 HIS H H 63 7.041 7.222 -0.181 1
1 840 . 1 1 1 A 63 63 HIS HA H 63 4.861 4.984 -0.123 1
1 845 . 1 1 1 A 63 63 HIS C C 63 172.567 174.628 -2.061 1
1 846 . 1 1 1 A 63 63 HIS CA C 63 55.522 54.181 1.341 1
1 847 . 1 1 1 A 63 63 HIS CB C 63 32.328 33.555 -1.227 1
1 850 . 1 1 1 A 63 63 HIS N N 63 116.818 119.882 -3.064 1
1 853 . 1 1 1 A 64 64 SER H H 64 8.717 8.685 0.032 1
1 854 . 1 1 1 A 64 64 SER HA H 64 4.582 4.559 0.023 1
1 857 . 1 1 1 A 64 64 SER C C 64 174.545 175.498 -0.953 1
1 858 . 1 1 1 A 64 64 SER CA C 64 57.169 58.317 -1.148 1
1 859 . 1 1 1 A 64 64 SER CB C 64 65.484 64.575 0.909 1
1 860 . 1 1 1 A 64 64 SER N N 64 116.128 117.847 -1.719 1
1 861 . 1 1 1 A 65 65 TYR H H 65 9.054 9.201 -0.147 1
1 862 . 1 1 1 A 65 65 TYR HA H 65 4.059 4.140 -0.081 1
1 869 . 1 1 1 A 65 65 TYR C C 65 176.918 177.696 -0.778 1
1 870 . 1 1 1 A 65 65 TYR CA C 65 61.906 62.614 -0.708 1
1 871 . 1 1 1 A 65 65 TYR CB C 65 38.185 38.809 -0.624 1
1 874 . 1 1 1 A 65 65 TYR N N 65 121.679 124.364 -2.685 1
1 875 . 1 1 1 A 66 66 GLU H H 66 8.965 8.327 0.638 1
1 876 . 1 1 1 A 66 66 GLU HA H 66 3.888 3.860 0.028 1
1 881 . 1 1 1 A 66 66 GLU C C 66 178.764 179.034 -0.270 1
1 882 . 1 1 1 A 66 66 GLU CA C 66 59.329 59.219 0.110 1
1 883 . 1 1 1 A 66 66 GLU CB C 66 28.874 29.175 -0.301 1
1 885 . 1 1 1 A 66 66 GLU N N 66 117.723 119.854 -2.131 1
1 886 . 1 1 1 A 67 67 THR H H 67 7.626 8.047 -0.421 1
1 887 . 1 1 1 A 67 67 THR HA H 67 3.864 4.110 -0.246 1
1 892 . 1 1 1 A 67 67 THR C C 67 176.681 176.456 0.225 1
1 893 . 1 1 1 A 67 67 THR CA C 67 66.368 67.045 -0.677 1
1 894 . 1 1 1 A 67 67 THR CB C 67 68.290 68.125 0.165 1
1 896 . 1 1 1 A 67 67 THR N N 67 116.084 116.665 -0.581 1
1 897 . 1 1 1 A 68 68 ILE H H 68 8.324 8.100 0.224 1
1 898 . 1 1 1 A 68 68 ILE HA H 68 3.686 3.932 -0.246 1
1 908 . 1 1 1 A 68 68 ILE C C 68 176.527 177.320 -0.793 1
1 909 . 1 1 1 A 68 68 ILE CA C 68 65.205 62.845 2.360 1
1 910 . 1 1 1 A 68 68 ILE CB C 68 38.355 37.724 0.631 1
1 914 . 1 1 1 A 68 68 ILE N N 68 123.174 120.695 2.479 1
1 915 . 1 1 1 A 69 69 ARG H H 69 8.407 8.142 0.265 1
1 916 . 1 1 1 A 69 69 ARG HA H 69 3.673 3.681 -0.008 1
1 923 . 1 1 1 A 69 69 ARG C C 69 179.687 178.411 1.276 1
1 924 . 1 1 1 A 69 69 ARG CA C 69 59.577 59.624 -0.047 1
1 925 . 1 1 1 A 69 69 ARG CB C 69 29.560 29.387 0.173 1
1 928 . 1 1 1 A 69 69 ARG N N 69 121.358 121.566 -0.208 1
1 929 . 1 1 1 A 70 70 LYS H H 70 7.562 7.677 -0.115 1
1 930 . 1 1 1 A 70 70 LYS HA H 70 3.617 3.966 -0.349 1
1 939 . 1 1 1 A 70 70 LYS C C 70 177.129 178.060 -0.931 1
1 940 . 1 1 1 A 70 70 LYS CA C 70 59.380 58.539 0.841 1
1 941 . 1 1 1 A 70 70 LYS CB C 70 31.978 31.389 0.589 1
1 945 . 1 1 1 A 70 70 LYS N N 70 120.218 117.898 2.320 1
1 946 . 1 1 1 A 71 71 LEU H H 71 7.640 7.771 -0.131 1
1 947 . 1 1 1 A 71 71 LEU HA H 71 3.629 3.831 -0.202 1
1 957 . 1 1 1 A 71 71 LEU C C 71 178.157 178.268 -0.111 1
1 958 . 1 1 1 A 71 71 LEU CA C 71 58.477 58.017 0.460 1
1 959 . 1 1 1 A 71 71 LEU CB C 71 41.262 41.031 0.231 1
1 963 . 1 1 1 A 71 71 LEU N N 71 119.991 120.857 -0.866 1
1 964 . 1 1 1 A 72 72 ASN H H 72 8.474 8.158 0.316 1
1 965 . 1 1 1 A 72 72 ASN HA H 72 4.485 4.484 0.001 1
1 970 . 1 1 1 A 72 72 ASN C C 72 176.285 177.519 -1.234 1
1 971 . 1 1 1 A 72 72 ASN CA C 72 56.424 56.945 -0.521 1
1 972 . 1 1 1 A 72 72 ASN CB C 72 39.544 39.506 0.038 1
1 973 . 1 1 1 A 72 72 ASN N N 72 114.097 117.552 -3.455 1
1 975 . 1 1 1 A 73 73 SER H H 73 7.878 7.941 -0.063 1
1 976 . 1 1 1 A 73 73 SER HA H 73 4.177 4.289 -0.112 1
1 979 . 1 1 1 A 73 73 SER C C 73 176.734 177.028 -0.294 1
1 980 . 1 1 1 A 73 73 SER CA C 73 61.741 61.184 0.557 1
1 981 . 1 1 1 A 73 73 SER CB C 73 62.573 62.762 -0.189 1
1 982 . 1 1 1 A 73 73 SER N N 73 115.022 115.570 -0.548 1
1 983 . 1 1 1 A 74 74 TYR H H 74 8.078 7.481 0.597 1
1 984 . 1 1 1 A 74 74 TYR HA H 74 5.168 4.643 0.525 1
1 991 . 1 1 1 A 74 74 TYR C C 74 178.436 178.401 0.035 1
1 992 . 1 1 1 A 74 74 TYR CA C 74 58.023 61.581 -3.558 1
1 993 . 1 1 1 A 74 74 TYR CB C 74 37.835 38.344 -0.509 1
1 996 . 1 1 1 A 74 74 TYR N N 74 122.937 119.585 3.352 1
1 997 . 1 1 1 A 75 75 ILE H H 75 8.264 8.723 -0.459 1
1 998 . 1 1 1 A 75 75 ILE HA H 75 3.647 3.957 -0.310 1
1 1008 . 1 1 1 A 75 75 ILE C C 75 177.656 178.163 -0.507 1
1 1009 . 1 1 1 A 75 75 ILE CA C 75 66.349 65.424 0.925 1
1 1010 . 1 1 1 A 75 75 ILE CB C 75 37.494 38.066 -0.572 1
1 1014 . 1 1 1 A 75 75 ILE N N 75 119.080 120.378 -1.298 1
1 1015 . 1 1 1 A 76 76 ARG H H 76 9.316 8.735 0.581 1
1 1016 . 1 1 1 A 76 76 ARG HA H 76 3.896 3.930 -0.034 1
1 1024 . 1 1 1 A 76 76 ARG C C 76 179.033 179.182 -0.149 1
1 1025 . 1 1 1 A 76 76 ARG CA C 76 60.536 60.111 0.425 1
1 1026 . 1 1 1 A 76 76 ARG CB C 76 30.238 29.974 0.264 1
1 1029 . 1 1 1 A 76 76 ARG N N 76 121.985 121.168 0.817 1
1 1031 . 1 1 1 A 77 77 ASN H H 77 8.003 8.137 -0.134 1
1 1032 . 1 1 1 A 77 77 ASN HA H 77 4.605 4.570 0.035 1
1 1037 . 1 1 1 A 77 77 ASN C C 77 177.146 177.912 -0.766 1
1 1038 . 1 1 1 A 77 77 ASN CA C 77 55.755 56.447 -0.692 1
1 1039 . 1 1 1 A 77 77 ASN CB C 77 38.857 38.534 0.323 1
1 1040 . 1 1 1 A 77 77 ASN N N 77 117.750 117.915 -0.165 1
1 1042 . 1 1 1 A 78 78 ALA H H 78 8.082 8.028 0.054 1
1 1043 . 1 1 1 A 78 78 ALA HA H 78 2.351 2.825 -0.474 1
1 1047 . 1 1 1 A 78 78 ALA C C 78 181.084 179.519 1.565 1
1 1048 . 1 1 1 A 78 78 ALA CA C 78 54.703 54.410 0.293 1
1 1049 . 1 1 1 A 78 78 ALA CB C 78 16.121 17.777 -1.656 1
1 1050 . 1 1 1 A 78 78 ALA N N 78 124.770 122.503 2.267 1
1 1051 . 1 1 1 A 79 79 PHE H H 79 8.603 7.987 0.616 1
1 1052 . 1 1 1 A 79 79 PHE HA H 79 3.974 4.160 -0.186 1
1 1060 . 1 1 1 A 79 79 PHE C C 79 177.841 177.791 0.050 1
1 1061 . 1 1 1 A 79 79 PHE CA C 79 63.302 61.279 2.023 1
1 1062 . 1 1 1 A 79 79 PHE CB C 79 40.594 38.627 1.967 1
1 1066 . 1 1 1 A 79 79 PHE N N 79 116.847 115.693 1.154 1
1 1067 . 1 1 1 A 80 80 ASP H H 80 8.298 8.578 -0.280 1
1 1068 . 1 1 1 A 80 80 ASP HA H 80 4.620 4.372 0.248 1
1 1071 . 1 1 1 A 80 80 ASP C C 80 179.845 178.074 1.771 1
1 1072 . 1 1 1 A 80 80 ASP CA C 80 57.957 57.956 0.001 1
1 1073 . 1 1 1 A 80 80 ASP CB C 80 39.595 41.433 -1.838 1
1 1074 . 1 1 1 A 80 80 ASP N N 80 121.362 120.309 1.053 1
1 1075 . 1 1 1 A 81 81 ASP H H 81 8.051 8.768 -0.717 1
1 1076 . 1 1 1 A 81 81 ASP HA H 81 4.724 4.491 0.233 1
1 1079 . 1 1 1 A 81 81 ASP C C 81 177.963 178.244 -0.281 1
1 1080 . 1 1 1 A 81 81 ASP CA C 81 57.537 57.663 -0.126 1
1 1081 . 1 1 1 A 81 81 ASP CB C 81 39.463 41.428 -1.965 1
1 1082 . 1 1 1 A 81 81 ASP N N 81 122.166 119.495 2.671 1
1 1083 . 1 1 1 A 82 82 ALA H H 82 8.025 7.888 0.137 1
1 1084 . 1 1 1 A 82 82 ALA HA H 82 4.106 4.312 -0.206 1
1 1088 . 1 1 1 A 82 82 ALA C C 82 180.223 179.819 0.404 1
1 1089 . 1 1 1 A 82 82 ALA CA C 82 55.194 55.245 -0.051 1
1 1090 . 1 1 1 A 82 82 ALA CB C 82 17.947 18.135 -0.188 1
1 1091 . 1 1 1 A 82 82 ALA N N 82 124.747 121.491 3.256 1
1 1092 . 1 1 1 A 83 83 ILE H H 83 8.327 8.439 -0.112 1
1 1093 . 1 1 1 A 83 83 ILE HA H 83 4.235 4.019 0.216 1
1 1103 . 1 1 1 A 83 83 ILE C C 83 180.768 177.814 2.954 1
1 1104 . 1 1 1 A 83 83 ILE CA C 83 63.966 63.574 0.392 1
1 1105 . 1 1 1 A 83 83 ILE CB C 83 38.254 37.889 0.365 1
1 1109 . 1 1 1 A 83 83 ILE N N 83 120.907 119.589 1.318 1
1 1110 . 1 1 1 A 84 84 HIS H H 84 7.934 8.170 -0.236 1
1 1111 . 1 1 1 A 84 84 HIS HA H 84 4.434 4.160 0.274 1
1 1116 . 1 1 1 A 84 84 HIS C C 84 178.250 176.556 1.694 1
1 1117 . 1 1 1 A 84 84 HIS CA C 84 59.042 60.294 -1.252 1
1 1118 . 1 1 1 A 84 84 HIS CB C 84 28.750 29.671 -0.921 1
1 1121 . 1 1 1 A 84 84 HIS N N 84 121.346 121.277 0.069 1
1 1124 . 1 1 1 A 85 85 GLU H H 85 8.074 8.010 0.064 1
1 1125 . 1 1 1 A 85 85 GLU HA H 85 4.192 4.318 -0.126 1
1 1130 . 1 1 1 A 85 85 GLU C C 85 176.510 177.050 -0.540 1
1 1131 . 1 1 1 A 85 85 GLU CA C 85 56.512 56.381 0.131 1
1 1132 . 1 1 1 A 85 85 GLU CB C 85 30.284 30.530 -0.246 1
1 1134 . 1 1 1 A 85 85 GLU N N 85 115.467 115.663 -0.196 1
1 1135 . 1 1 1 A 86 86 GLY H H 86 7.715 7.631 0.084 1
1 1136 . 1 1 1 A 86 86 GLY HA2 H 86 3.844 4.004 -0.160 1
1 1137 . 1 1 1 A 86 86 GLY HA3 H 86 4.136 4.010 0.126 1
1 1138 . 1 1 1 A 86 86 GLY C C 86 175.243 174.251 0.992 1
1 1139 . 1 1 1 A 86 86 GLY CA C 86 45.108 46.006 -0.898 1
1 1140 . 1 1 1 A 86 86 GLY N N 86 105.999 108.249 -2.250 1
1 1141 . 1 1 1 A 87 87 TYR H H 87 8.173 8.480 -0.307 1
1 1142 . 1 1 1 A 87 87 TYR HA H 87 4.396 4.385 0.011 1
1 1149 . 1 1 1 A 87 87 TYR CA C 87 59.317 59.922 -0.605 1
1 1150 . 1 1 1 A 87 87 TYR CB C 87 39.558 40.112 -0.554 1
1 1153 . 1 1 1 A 87 87 TYR N N 87 118.412 120.710 -2.298 1
1 1154 . 1 1 1 A 88 88 VAL HA H 88 4.583 4.102 0.481 1
1 1162 . 1 1 1 A 88 88 VAL CB C 88 36.112 33.378 2.734 1
1 1165 . 1 1 1 A 89 89 ILE HA H 89 4.426 4.295 0.131 1
1 1175 . 1 1 1 A 89 89 ILE CA C 89 61.984 61.761 0.223 1
1 1176 . 1 1 1 A 89 89 ILE CB C 89 39.850 41.383 -1.533 1
1 1180 . 1 1 1 A 90 90 LYS H H 90 7.387 7.831 -0.444 1
1 1181 . 1 1 1 A 90 90 LYS HA H 90 4.508 4.572 -0.064 1
1 1190 . 1 1 1 A 90 90 LYS C C 90 174.665 175.196 -0.531 1
1 1191 . 1 1 1 A 90 90 LYS CA C 90 54.111 55.446 -1.335 1
1 1192 . 1 1 1 A 90 90 LYS CB C 90 35.086 33.078 2.008 1
1 1196 . 1 1 1 A 91 91 ASN H H 91 8.803 8.801 0.002 1
1 1197 . 1 1 1 A 91 91 ASN HA H 91 4.279 4.590 -0.311 1
1 1202 . 1 1 1 A 91 91 ASN CB C 91 38.879 39.354 -0.475 1
1 1203 . 1 1 1 A 91 91 ASN N N 91 120.903 123.123 -2.220 1
1 1205 . 1 1 1 A 92 92 PRO HA H 92 4.206 4.228 -0.022 1
1 1212 . 1 1 1 A 92 92 PRO C C 92 174.751 176.596 -1.845 1
1 1213 . 1 1 1 A 92 92 PRO CA C 92 63.927 63.524 0.403 1
1 1214 . 1 1 1 A 92 92 PRO CB C 92 30.969 32.078 -1.109 1
1 1217 . 1 1 1 A 93 93 THR H H 93 7.441 7.640 -0.199 1
1 1218 . 1 1 1 A 93 93 THR HA H 93 4.093 4.085 0.008 1
1 1224 . 1 1 1 A 93 93 THR C C 93 175.922 175.772 0.150 1
1 1225 . 1 1 1 A 93 93 THR CA C 93 62.221 62.831 -0.610 1
1 1226 . 1 1 1 A 93 93 THR CB C 93 69.463 68.605 0.858 1
1 1228 . 1 1 1 A 93 93 THR N N 93 105.991 111.871 -5.880 1
1 1229 . 1 1 1 A 94 94 TYR H H 94 7.139 7.912 -0.773 1
1 1230 . 1 1 1 A 94 94 TYR HA H 94 4.393 4.082 0.311 1
1 1237 . 1 1 1 A 94 94 TYR C C 94 176.180 177.028 -0.848 1
1 1238 . 1 1 1 A 94 94 TYR CA C 94 58.272 61.621 -3.349 1
1 1239 . 1 1 1 A 94 94 TYR CB C 94 37.490 38.875 -1.385 1
1 1242 . 1 1 1 A 94 94 TYR N N 94 124.098 123.136 0.962 1
1 1243 . 1 1 1 A 95 95 LYS H H 95 8.904 7.282 1.622 1
1 1244 . 1 1 1 A 95 95 LYS HA H 95 3.758 4.661 -0.903 1
1 1253 . 1 1 1 A 95 95 LYS C C 95 175.547 176.202 -0.655 1
1 1254 . 1 1 1 A 95 95 LYS CA C 95 57.078 55.145 1.933 1
1 1255 . 1 1 1 A 95 95 LYS CB C 95 29.962 32.414 -2.452 1
1 1259 . 1 1 1 A 95 95 LYS N N 95 121.317 117.959 3.358 1
1 1260 . 1 1 1 A 96 96 ALA H H 96 7.583 7.546 0.037 1
1 1261 . 1 1 1 A 96 96 ALA HA H 96 4.157 4.559 -0.402 1
1 1265 . 1 1 1 A 96 96 ALA C C 96 177.630 176.332 1.298 1
1 1266 . 1 1 1 A 96 96 ALA CA C 96 53.298 51.732 1.566 1
1 1267 . 1 1 1 A 96 96 ALA CB C 96 18.807 17.647 1.160 1
1 1268 . 1 1 1 A 96 96 ALA N N 96 121.832 123.796 -1.964 1
1 1269 . 1 1 1 A 97 97 GLU H H 97 9.243 8.325 0.918 1
1 1270 . 1 1 1 A 97 97 GLU HA H 97 4.347 4.622 -0.275 1
1 1275 . 1 1 1 A 97 97 GLU C C 97 175.890 176.129 -0.239 1
1 1276 . 1 1 1 A 97 97 GLU CA C 97 55.198 56.562 -1.364 1
1 1277 . 1 1 1 A 97 97 GLU CB C 97 30.931 30.378 0.553 1
1 1279 . 1 1 1 A 97 97 GLU N N 97 121.989 121.115 0.874 1
1 1280 . 1 1 1 A 98 98 LEU H H 98 8.401 9.156 -0.755 1
1 1281 . 1 1 1 A 98 98 LEU HA H 98 4.277 4.426 -0.149 1
1 1291 . 1 1 1 A 98 98 LEU C C 98 175.738 176.001 -0.263 1
1 1292 . 1 1 1 A 98 98 LEU CA C 98 54.337 54.199 0.138 1
1 1293 . 1 1 1 A 98 98 LEU CB C 98 41.634 40.098 1.536 1
1 1297 . 1 1 1 A 98 98 LEU N N 98 123.414 127.293 -3.879 1
1 1298 . 1 1 1 A 99 99 HIS H H 99 8.749 8.672 0.077 1
1 1299 . 1 1 1 A 99 99 HIS HA H 99 4.706 4.925 -0.219 1
1 1304 . 1 1 1 A 99 99 HIS C C 99 173.912 174.506 -0.594 1
1 1305 . 1 1 1 A 99 99 HIS CA C 99 55.183 54.846 0.337 1
1 1306 . 1 1 1 A 99 99 HIS CB C 99 29.916 28.423 1.493 1
1 1309 . 1 1 1 A 99 99 HIS N N 99 121.129 124.137 -3.008 1
1 1312 . 1 1 1 A 100 100 ALA H H 100 8.369 8.381 -0.012 1
1 1313 . 1 1 1 A 100 100 ALA HA H 100 4.518 4.308 0.210 1
1 1317 . 1 1 1 A 100 100 ALA C C 100 177.533 177.853 -0.320 1
1 1318 . 1 1 1 A 100 100 ALA CA C 100 51.753 51.920 -0.167 1
1 1319 . 1 1 1 A 100 100 ALA CB C 100 20.081 18.715 1.366 1
1 1320 . 1 1 1 A 100 100 ALA N N 100 125.646 128.593 -2.947 1
1 1321 . 1 1 1 A 101 101 SER H H 101 8.357 8.547 -0.190 1
1 1322 . 1 1 1 A 101 101 SER HA H 101 4.452 4.323 0.129 1
1 1325 . 1 1 1 A 101 101 SER C C 101 174.729 176.354 -1.625 1
1 1326 . 1 1 1 A 101 101 SER CA C 101 58.781 60.818 -2.037 1
1 1327 . 1 1 1 A 101 101 SER CB C 101 63.865 63.164 0.701 1
1 1328 . 1 1 1 A 101 101 SER N N 101 115.505 119.489 -3.984 1
1 1329 . 1 1 1 A 102 102 VAL H H 102 7.884 7.157 0.727 1
1 1330 . 1 1 1 A 102 102 VAL HA H 102 4.111 3.823 0.288 1
1 1338 . 1 1 1 A 102 102 VAL C C 102 175.837 176.895 -1.058 1
1 1339 . 1 1 1 A 102 102 VAL CA C 102 62.237 66.138 -3.901 1
1 1340 . 1 1 1 A 102 102 VAL CB C 102 32.336 31.984 0.352 1
1 1343 . 1 1 1 A 102 102 VAL N N 102 120.880 121.136 -0.256 1
1 1344 . 1 1 1 A 103 103 LEU H H 103 8.170 7.927 0.243 1
1 1345 . 1 1 1 A 103 103 LEU HA H 103 4.299 4.717 -0.418 1
1 1355 . 1 1 1 A 103 103 LEU C C 103 177.129 176.081 1.048 1
1 1356 . 1 1 1 A 103 103 LEU CA C 103 54.999 54.209 0.790 1
1 1357 . 1 1 1 A 103 103 LEU CB C 103 42.276 43.054 -0.778 1
1 1361 . 1 1 1 A 103 103 LEU N N 103 124.757 119.732 5.025 1
1 1362 . 1 1 1 A 104 104 GLU H H 104 8.244 7.742 0.502 1
1 1363 . 1 1 1 A 104 104 GLU HA H 104 4.175 4.442 -0.267 1
1 1368 . 1 1 1 A 104 104 GLU C C 104 176.153 175.437 0.716 1
1 1369 . 1 1 1 A 104 104 GLU CA C 104 56.413 56.380 0.033 1
1 1370 . 1 1 1 A 104 104 GLU CB C 104 30.270 29.861 0.409 1
1 1372 . 1 1 1 A 104 104 GLU N N 104 121.146 121.975 -0.829 1
1 1373 . 1 1 1 A 105 105 HIS H H 105 8.242 8.920 -0.678 1
1 1376 . 1 1 1 A 105 105 HIS C C 105 174.967 173.992 0.975 1
1 1377 . 1 1 1 A 105 105 HIS CA C 105 56.137 55.144 0.993 1
1 1378 . 1 1 1 A 105 105 HIS CB C 105 30.290 30.489 -0.199 1
1 13 . 2 1 1 A 2 2 ILE HA H 2 4.615 4.599 0.016 1
1 23 . 2 1 1 A 2 2 ILE C C 2 175.630 175.791 -0.161 1
1 24 . 2 1 1 A 2 2 ILE CA C 2 60.619 60.984 -0.365 1
1 25 . 2 1 1 A 2 2 ILE CB C 2 40.542 39.830 0.712 1
1 29 . 2 1 1 A 3 3 THR H H 3 9.133 8.600 0.533 1
1 30 . 2 1 1 A 3 3 THR HA H 3 4.656 4.815 -0.159 1
1 36 . 2 1 1 A 3 3 THR C C 3 174.729 175.648 -0.919 1
1 37 . 2 1 1 A 3 3 THR CA C 3 61.509 60.935 0.574 1
1 38 . 2 1 1 A 3 3 THR CB C 3 69.896 70.938 -1.042 1
1 40 . 2 1 1 A 3 3 THR N N 3 119.091 117.795 1.296 1
1 41 . 2 1 1 A 4 4 PHE H H 4 8.642 9.781 -1.139 1
1 42 . 2 1 1 A 4 4 PHE HA H 4 4.576 4.101 0.475 1
1 50 . 2 1 1 A 4 4 PHE C C 4 176.302 177.388 -1.086 1
1 51 . 2 1 1 A 4 4 PHE CA C 4 58.368 62.684 -4.316 1
1 52 . 2 1 1 A 4 4 PHE CB C 4 37.526 39.373 -1.847 1
1 56 . 2 1 1 A 4 4 PHE N N 4 122.510 122.825 -0.315 1
1 57 . 2 1 1 A 5 5 ALA H H 5 9.195 8.343 0.852 1
1 58 . 2 1 1 A 5 5 ALA HA H 5 3.692 4.030 -0.338 1
1 62 . 2 1 1 A 5 5 ALA C C 5 178.210 180.359 -2.149 1
1 63 . 2 1 1 A 5 5 ALA CA C 5 56.073 55.096 0.977 1
1 64 . 2 1 1 A 5 5 ALA CB C 5 17.897 18.063 -0.166 1
1 65 . 2 1 1 A 5 5 ALA N N 5 120.106 121.362 -1.256 1
1 66 . 2 1 1 A 6 6 ASP H H 6 7.978 8.358 -0.380 1
1 67 . 2 1 1 A 6 6 ASP HA H 6 4.615 4.540 0.075 1
1 70 . 2 1 1 A 6 6 ASP C C 6 179.370 178.682 0.688 1
1 71 . 2 1 1 A 6 6 ASP CA C 6 57.369 57.403 -0.034 1
1 72 . 2 1 1 A 6 6 ASP CB C 6 39.556 40.183 -0.627 1
1 73 . 2 1 1 A 6 6 ASP N N 6 115.486 118.929 -3.443 1
1 74 . 2 1 1 A 7 7 TYR H H 7 8.776 8.556 0.220 1
1 75 . 2 1 1 A 7 7 TYR HA H 7 3.984 4.331 -0.347 1
1 82 . 2 1 1 A 7 7 TYR C C 7 176.232 177.498 -1.266 1
1 83 . 2 1 1 A 7 7 TYR CA C 7 62.241 61.623 0.618 1
1 84 . 2 1 1 A 7 7 TYR CB C 7 38.521 38.551 -0.030 1
1 87 . 2 1 1 A 7 7 TYR N N 7 120.885 122.955 -2.070 1
1 88 . 2 1 1 A 8 8 PHE H H 8 9.024 8.662 0.362 1
1 89 . 2 1 1 A 8 8 PHE HA H 8 3.732 4.170 -0.438 1
1 97 . 2 1 1 A 8 8 PHE C C 8 176.261 176.920 -0.659 1
1 98 . 2 1 1 A 8 8 PHE CA C 8 62.936 62.005 0.931 1
1 99 . 2 1 1 A 8 8 PHE CB C 8 39.553 38.825 0.728 1
1 103 . 2 1 1 A 8 8 PHE N N 8 118.754 120.653 -1.899 1
1 104 . 2 1 1 A 9 9 TYR H H 9 8.202 8.251 -0.049 1
1 105 . 2 1 1 A 9 9 TYR HA H 9 3.742 4.065 -0.323 1
1 112 . 2 1 1 A 9 9 TYR C C 9 176.496 177.208 -0.712 1
1 113 . 2 1 1 A 9 9 TYR CA C 9 62.939 61.310 1.629 1
1 114 . 2 1 1 A 9 9 TYR CB C 9 37.941 38.120 -0.179 1
1 117 . 2 1 1 A 9 9 TYR N N 9 117.271 120.300 -3.029 1
1 118 . 2 1 1 A 10 10 GLN H H 10 8.029 8.354 -0.325 1
1 119 . 2 1 1 A 10 10 GLN HA H 10 3.928 3.963 -0.035 1
1 126 . 2 1 1 A 10 10 GLN C C 10 177.393 177.847 -0.454 1
1 127 . 2 1 1 A 10 10 GLN CA C 10 58.717 58.366 0.351 1
1 128 . 2 1 1 A 10 10 GLN CB C 10 28.482 28.524 -0.042 1
1 130 . 2 1 1 A 10 10 GLN N N 10 117.935 117.514 0.421 1
1 132 . 2 1 1 A 11 11 TRP H H 11 8.772 8.469 0.303 1
1 133 . 2 1 1 A 11 11 TRP HA H 11 3.690 4.085 -0.395 1
1 142 . 2 1 1 A 11 11 TRP C C 11 178.487 177.536 0.951 1
1 143 . 2 1 1 A 11 11 TRP CA C 11 61.256 60.672 0.584 1
1 144 . 2 1 1 A 11 11 TRP CB C 11 27.472 29.149 -1.677 1
1 150 . 2 1 1 A 11 11 TRP N N 11 121.577 122.012 -0.435 1
1 152 . 2 1 1 A 12 12 TYR H H 12 8.168 7.974 0.194 1
1 153 . 2 1 1 A 12 12 TYR HA H 12 2.938 3.198 -0.260 1
1 160 . 2 1 1 A 12 12 TYR C C 12 177.277 177.419 -0.142 1
1 161 . 2 1 1 A 12 12 TYR CA C 12 59.178 60.802 -1.624 1
1 162 . 2 1 1 A 12 12 TYR CB C 12 36.729 38.065 -1.336 1
1 165 . 2 1 1 A 12 12 TYR N N 12 121.811 121.198 0.613 1
1 166 . 2 1 1 A 13 13 GLU H H 13 8.434 7.908 0.526 1
1 167 . 2 1 1 A 13 13 GLU HA H 13 2.996 3.301 -0.305 1
1 172 . 2 1 1 A 13 13 GLU C C 13 177.157 177.657 -0.500 1
1 173 . 2 1 1 A 13 13 GLU CA C 13 59.164 58.465 0.699 1
1 174 . 2 1 1 A 13 13 GLU CB C 13 29.447 29.226 0.221 1
1 176 . 2 1 1 A 13 13 GLU N N 13 123.599 119.596 4.003 1
1 177 . 2 1 1 A 14 14 VAL H H 14 7.605 7.231 0.374 1
1 178 . 2 1 1 A 14 14 VAL HA H 14 3.562 3.628 -0.066 1
1 186 . 2 1 1 A 14 14 VAL C C 14 177.289 176.384 0.905 1
1 187 . 2 1 1 A 14 14 VAL CA C 14 64.338 65.147 -0.809 1
1 188 . 2 1 1 A 14 14 VAL CB C 14 32.669 31.124 1.545 1
1 191 . 2 1 1 A 14 14 VAL N N 14 113.566 119.441 -5.875 1
1 192 . 2 1 1 A 15 15 ASN H H 15 7.482 7.234 0.248 1
1 193 . 2 1 1 A 15 15 ASN HA H 15 4.429 4.622 -0.193 1
1 198 . 2 1 1 A 15 15 ASN C C 15 175.201 176.756 -1.555 1
1 199 . 2 1 1 A 15 15 ASN CA C 15 55.218 54.306 0.912 1
1 200 . 2 1 1 A 15 15 ASN CB C 15 39.927 38.918 1.009 1
1 201 . 2 1 1 A 15 15 ASN N N 15 112.195 119.273 -7.078 1
1 203 . 2 1 1 A 16 16 LYS H H 16 7.413 7.617 -0.204 1
1 204 . 2 1 1 A 16 16 LYS HA H 16 4.338 4.323 0.015 1
1 213 . 2 1 1 A 16 16 LYS C C 16 175.309 177.237 -1.928 1
1 214 . 2 1 1 A 16 16 LYS CA C 16 54.807 55.720 -0.913 1
1 215 . 2 1 1 A 16 16 LYS CB C 16 32.665 33.176 -0.511 1
1 219 . 2 1 1 A 16 16 LYS N N 16 115.814 117.091 -1.277 1
1 220 . 2 1 1 A 17 17 LEU H H 17 7.490 7.026 0.464 1
1 221 . 2 1 1 A 17 17 LEU HA H 17 3.603 3.427 0.176 1
1 231 . 2 1 1 A 17 17 LEU C C 17 173.754 177.146 -3.392 1
1 232 . 2 1 1 A 17 17 LEU CA C 17 59.847 59.522 0.325 1
1 233 . 2 1 1 A 17 17 LEU CB C 17 39.552 39.581 -0.029 1
1 237 . 2 1 1 A 17 17 LEU N N 17 121.586 121.700 -0.114 1
1 238 . 2 1 1 A 18 18 PRO HA H 18 4.107 4.206 -0.099 1
1 245 . 2 1 1 A 18 18 PRO C C 18 176.412 176.961 -0.549 1
1 246 . 2 1 1 A 18 18 PRO CA C 18 64.656 64.145 0.511 1
1 247 . 2 1 1 A 18 18 PRO CB C 18 30.980 31.631 -0.651 1
1 250 . 2 1 1 A 19 19 HIS H H 19 7.631 7.932 -0.301 1
1 251 . 2 1 1 A 19 19 HIS HA H 19 4.857 4.555 0.302 1
1 256 . 2 1 1 A 19 19 HIS C C 19 175.822 175.192 0.630 1
1 257 . 2 1 1 A 19 19 HIS CA C 19 55.004 56.296 -1.292 1
1 258 . 2 1 1 A 19 19 HIS CB C 19 32.358 31.824 0.534 1
1 260 . 2 1 1 A 19 19 HIS N N 19 111.190 116.616 -5.426 1
1 263 . 2 1 1 A 20 20 VAL H H 20 7.124 7.403 -0.279 1
1 264 . 2 1 1 A 20 20 VAL HA H 20 4.728 4.325 0.403 1
1 272 . 2 1 1 A 20 20 VAL C C 20 175.497 176.029 -0.532 1
1 273 . 2 1 1 A 20 20 VAL CA C 20 60.134 60.759 -0.625 1
1 274 . 2 1 1 A 20 20 VAL CB C 20 34.199 33.422 0.777 1
1 277 . 2 1 1 A 20 20 VAL N N 20 112.191 115.298 -3.107 1
1 278 . 2 1 1 A 21 21 SER H H 21 8.589 9.005 -0.416 1
1 279 . 2 1 1 A 21 21 SER HA H 21 4.531 4.571 -0.040 1
1 282 . 2 1 1 A 21 21 SER C C 21 174.840 176.071 -1.231 1
1 283 . 2 1 1 A 21 21 SER CA C 21 57.236 58.001 -0.765 1
1 284 . 2 1 1 A 21 21 SER CB C 21 65.251 64.542 0.709 1
1 285 . 2 1 1 A 21 21 SER N N 21 116.825 120.451 -3.626 1
1 286 . 2 1 1 A 22 22 GLU H H 22 8.964 9.124 -0.160 1
1 287 . 2 1 1 A 22 22 GLU HA H 22 3.922 4.109 -0.187 1
1 292 . 2 1 1 A 22 22 GLU C C 22 178.606 178.850 -0.244 1
1 293 . 2 1 1 A 22 22 GLU CA C 22 59.837 59.402 0.435 1
1 294 . 2 1 1 A 22 22 GLU CB C 22 29.239 29.135 0.104 1
1 296 . 2 1 1 A 22 22 GLU N N 22 120.863 123.178 -2.315 1
1 297 . 2 1 1 A 23 23 SER H H 23 8.426 8.062 0.364 1
1 298 . 2 1 1 A 23 23 SER HA H 23 4.151 4.196 -0.045 1
1 301 . 2 1 1 A 23 23 SER C C 23 176.977 176.457 0.520 1
1 302 . 2 1 1 A 23 23 SER CA C 23 61.220 62.578 -1.358 1
1 303 . 2 1 1 A 23 23 SER CB C 23 62.252 63.389 -1.137 1
1 304 . 2 1 1 A 23 23 SER N N 23 112.196 117.274 -5.078 1
1 305 . 2 1 1 A 24 24 THR H H 24 7.749 7.798 -0.049 1
1 306 . 2 1 1 A 24 24 THR HA H 24 4.163 4.181 -0.018 1
1 311 . 2 1 1 A 24 24 THR C C 24 176.523 177.189 -0.666 1
1 312 . 2 1 1 A 24 24 THR CA C 24 66.045 66.123 -0.078 1
1 313 . 2 1 1 A 24 24 THR CB C 24 68.305 68.609 -0.304 1
1 315 . 2 1 1 A 24 24 THR N N 24 120.348 117.732 2.616 1
1 316 . 2 1 1 A 25 25 LYS H H 25 8.605 8.106 0.499 1
1 317 . 2 1 1 A 25 25 LYS HA H 25 4.064 4.063 0.001 1
1 326 . 2 1 1 A 25 25 LYS C C 25 178.447 179.666 -1.219 1
1 327 . 2 1 1 A 25 25 LYS CA C 25 61.087 60.019 1.068 1
1 328 . 2 1 1 A 25 25 LYS CB C 25 32.717 32.081 0.636 1
1 332 . 2 1 1 A 25 25 LYS N N 25 123.593 120.280 3.313 1
1 333 . 2 1 1 A 26 26 ARG H H 26 7.485 7.871 -0.386 1
1 334 . 2 1 1 A 26 26 ARG HA H 26 4.146 4.150 -0.004 1
1 341 . 2 1 1 A 26 26 ARG C C 26 179.845 179.232 0.613 1
1 342 . 2 1 1 A 26 26 ARG CA C 26 58.916 59.858 -0.942 1
1 343 . 2 1 1 A 26 26 ARG CB C 26 30.384 29.679 0.705 1
1 346 . 2 1 1 A 26 26 ARG N N 26 114.116 119.993 -5.877 1
1 347 . 2 1 1 A 27 27 HIS H H 27 7.677 8.397 -0.720 1
1 348 . 2 1 1 A 27 27 HIS HA H 27 4.757 4.423 0.334 1
1 353 . 2 1 1 A 27 27 HIS C C 27 179.743 177.495 2.248 1
1 354 . 2 1 1 A 27 27 HIS CA C 27 58.659 59.005 -0.346 1
1 355 . 2 1 1 A 27 27 HIS CB C 27 30.967 30.112 0.855 1
1 358 . 2 1 1 A 27 27 HIS N N 27 119.389 118.568 0.821 1
1 361 . 2 1 1 A 28 28 TYR H H 28 8.119 7.854 0.265 1
1 362 . 2 1 1 A 28 28 TYR HA H 28 4.009 4.142 -0.133 1
1 369 . 2 1 1 A 28 28 TYR C C 28 178.685 178.636 0.049 1
1 370 . 2 1 1 A 28 28 TYR CA C 28 63.311 61.907 1.404 1
1 371 . 2 1 1 A 28 28 TYR CB C 28 38.879 37.474 1.405 1
1 374 . 2 1 1 A 28 28 TYR N N 28 121.786 116.989 4.797 1
1 375 . 2 1 1 A 29 29 GLU H H 29 8.631 8.724 -0.093 1
1 376 . 2 1 1 A 29 29 GLU HA H 29 4.067 4.419 -0.352 1
1 381 . 2 1 1 A 29 29 GLU C C 29 179.950 179.464 0.486 1
1 382 . 2 1 1 A 29 29 GLU CA C 29 59.827 59.656 0.171 1
1 383 . 2 1 1 A 29 29 GLU CB C 29 29.172 29.244 -0.072 1
1 385 . 2 1 1 A 29 29 GLU N N 29 119.090 120.578 -1.488 1
1 386 . 2 1 1 A 30 30 SER H H 30 8.307 8.197 0.110 1
1 387 . 2 1 1 A 30 30 SER HA H 30 4.467 4.306 0.161 1
1 390 . 2 1 1 A 30 30 SER C C 30 177.445 176.594 0.851 1
1 391 . 2 1 1 A 30 30 SER CA C 30 61.068 62.038 -0.970 1
1 392 . 2 1 1 A 30 30 SER CB C 30 63.054 63.293 -0.239 1
1 393 . 2 1 1 A 30 30 SER N N 30 115.027 117.926 -2.899 1
1 394 . 2 1 1 A 31 31 ALA H H 31 8.319 8.126 0.193 1
1 395 . 2 1 1 A 31 31 ALA HA H 31 4.070 4.296 -0.226 1
1 399 . 2 1 1 A 31 31 ALA C C 31 178.488 179.147 -0.659 1
1 400 . 2 1 1 A 31 31 ALA CA C 31 55.926 55.073 0.853 1
1 401 . 2 1 1 A 31 31 ALA CB C 31 18.510 18.712 -0.202 1
1 402 . 2 1 1 A 31 31 ALA N N 31 124.966 123.659 1.307 1
1 403 . 2 1 1 A 32 32 TYR H H 32 8.537 8.858 -0.321 1
1 404 . 2 1 1 A 32 32 TYR HA H 32 4.114 4.329 -0.215 1
1 411 . 2 1 1 A 32 32 TYR C C 32 175.705 177.898 -2.193 1
1 412 . 2 1 1 A 32 32 TYR CA C 32 60.480 62.120 -1.640 1
1 413 . 2 1 1 A 32 32 TYR CB C 32 37.864 39.040 -1.176 1
1 416 . 2 1 1 A 32 32 TYR N N 32 116.814 120.354 -3.540 1
1 417 . 2 1 1 A 33 33 LYS H H 33 7.988 8.118 -0.130 1
1 418 . 2 1 1 A 33 33 LYS HA H 33 3.513 3.880 -0.367 1
1 427 . 2 1 1 A 33 33 LYS C C 33 178.474 178.644 -0.170 1
1 428 . 2 1 1 A 33 33 LYS CA C 33 59.810 58.979 0.831 1
1 429 . 2 1 1 A 33 33 LYS CB C 33 32.000 31.806 0.194 1
1 433 . 2 1 1 A 33 33 LYS N N 33 119.358 118.584 0.774 1
1 434 . 2 1 1 A 34 34 HIS H H 34 8.187 7.629 0.558 1
1 435 . 2 1 1 A 34 34 HIS HA H 34 4.449 4.583 -0.134 1
1 440 . 2 1 1 A 34 34 HIS C C 34 178.948 178.167 0.781 1
1 441 . 2 1 1 A 34 34 HIS CA C 34 60.883 60.881 0.002 1
1 442 . 2 1 1 A 34 34 HIS CB C 34 28.843 31.280 -2.437 1
1 445 . 2 1 1 A 34 34 HIS N N 34 116.156 118.763 -2.607 1
1 448 . 2 1 1 A 35 35 ILE H H 35 8.676 8.246 0.430 1
1 449 . 2 1 1 A 35 35 ILE HA H 35 3.513 3.676 -0.163 1
1 459 . 2 1 1 A 35 35 ILE C C 35 177.630 178.156 -0.526 1
1 460 . 2 1 1 A 35 35 ILE CA C 35 65.690 65.173 0.517 1
1 461 . 2 1 1 A 35 35 ILE CB C 35 38.481 37.571 0.910 1
1 465 . 2 1 1 A 35 35 ILE N N 35 121.824 120.589 1.235 1
1 466 . 2 1 1 A 36 36 LYS H H 36 8.797 8.178 0.619 1
1 467 . 2 1 1 A 36 36 LYS HA H 36 3.712 3.853 -0.141 1
1 476 . 2 1 1 A 36 36 LYS C C 36 179.397 178.332 1.065 1
1 477 . 2 1 1 A 36 36 LYS CA C 36 59.860 59.250 0.610 1
1 478 . 2 1 1 A 36 36 LYS CB C 36 31.878 31.699 0.179 1
1 482 . 2 1 1 A 36 36 LYS N N 36 121.589 120.654 0.935 1
1 483 . 2 1 1 A 37 37 ASP H H 37 8.246 7.963 0.283 1
1 484 . 2 1 1 A 37 37 ASP HA H 37 4.336 4.274 0.062 1
1 487 . 2 1 1 A 37 37 ASP C C 37 177.234 178.369 -1.135 1
1 488 . 2 1 1 A 37 37 ASP CA C 37 56.932 57.191 -0.259 1
1 489 . 2 1 1 A 37 37 ASP CB C 37 40.576 41.590 -1.014 1
1 490 . 2 1 1 A 37 37 ASP N N 37 118.225 118.908 -0.683 1
1 491 . 2 1 1 A 38 38 HIS H H 38 7.867 7.620 0.247 1
1 492 . 2 1 1 A 38 38 HIS HA H 38 4.284 4.376 -0.092 1
1 496 . 2 1 1 A 38 38 HIS C C 38 176.839 176.032 0.807 1
1 497 . 2 1 1 A 38 38 HIS CA C 38 59.389 59.050 0.339 1
1 498 . 2 1 1 A 38 38 HIS CB C 38 31.630 30.800 0.830 1
1 500 . 2 1 1 A 38 38 HIS N N 38 115.487 115.736 -0.249 1
1 501 . 2 1 1 A 39 39 PHE H H 39 9.082 8.419 0.663 1
1 502 . 2 1 1 A 39 39 PHE HA H 39 4.369 4.678 -0.309 1
1 510 . 2 1 1 A 39 39 PHE C C 39 175.890 175.016 0.874 1
1 511 . 2 1 1 A 39 39 PHE CA C 39 60.159 56.285 3.874 1
1 512 . 2 1 1 A 39 39 PHE CB C 39 38.850 36.876 1.974 1
1 516 . 2 1 1 A 39 39 PHE N N 39 114.327 116.076 -1.749 1
1 517 . 2 1 1 A 40 40 ARG H H 40 8.104 7.878 0.226 1
1 518 . 2 1 1 A 40 40 ARG HA H 40 3.921 4.071 -0.150 1
1 525 . 2 1 1 A 40 40 ARG C C 40 176.892 176.470 0.422 1
1 526 . 2 1 1 A 40 40 ARG CA C 40 58.009 56.708 1.301 1
1 527 . 2 1 1 A 40 40 ARG CB C 40 27.531 30.023 -2.492 1
1 530 . 2 1 1 A 40 40 ARG N N 40 118.379 121.996 -3.617 1
1 531 . 2 1 1 A 41 41 HIS H H 41 8.589 8.600 -0.011 1
1 532 . 2 1 1 A 41 41 HIS HA H 41 4.910 4.122 0.788 1
1 536 . 2 1 1 A 41 41 HIS C C 41 174.835 174.050 0.785 1
1 537 . 2 1 1 A 41 41 HIS CA C 41 55.473 57.269 -1.796 1
1 538 . 2 1 1 A 41 41 HIS CB C 41 29.720 26.836 2.884 1
1 540 . 2 1 1 A 41 41 HIS N N 41 123.828 118.789 5.039 1
1 541 . 2 1 1 A 42 42 LYS H H 42 8.326 7.689 0.637 1
1 542 . 2 1 1 A 42 42 LYS HA H 42 4.181 4.390 -0.209 1
1 551 . 2 1 1 A 42 42 LYS C C 42 177.973 176.606 1.367 1
1 552 . 2 1 1 A 42 42 LYS CA C 42 58.201 56.594 1.607 1
1 553 . 2 1 1 A 42 42 LYS CB C 42 33.047 33.140 -0.093 1
1 557 . 2 1 1 A 42 42 LYS N N 42 121.129 119.341 1.788 1
1 558 . 2 1 1 A 43 43 LEU H H 43 9.243 8.670 0.573 1
1 559 . 2 1 1 A 43 43 LEU HA H 43 4.346 4.469 -0.123 1
1 569 . 2 1 1 A 43 43 LEU C C 43 177.840 178.018 -0.178 1
1 570 . 2 1 1 A 43 43 LEU CA C 43 55.420 54.970 0.450 1
1 571 . 2 1 1 A 43 43 LEU CB C 43 40.936 42.309 -1.373 1
1 575 . 2 1 1 A 43 43 LEU N N 43 124.529 128.052 -3.523 1
1 576 . 2 1 1 A 44 44 LEU H H 44 8.404 8.551 -0.147 1
1 577 . 2 1 1 A 44 44 LEU HA H 44 3.681 4.124 -0.443 1
1 587 . 2 1 1 A 44 44 LEU C C 44 177.962 177.765 0.197 1
1 588 . 2 1 1 A 44 44 LEU CA C 44 58.773 58.361 0.412 1
1 589 . 2 1 1 A 44 44 LEU CB C 44 42.661 41.636 1.025 1
1 593 . 2 1 1 A 44 44 LEU N N 44 123.643 126.422 -2.779 1
1 594 . 2 1 1 A 45 45 LYS HA H 45 4.126 4.343 -0.217 1
1 603 . 2 1 1 A 45 45 LYS C C 45 175.533 175.376 0.157 1
1 604 . 2 1 1 A 45 45 LYS CA C 45 57.405 57.623 -0.218 1
1 605 . 2 1 1 A 45 45 LYS CB C 45 31.650 32.351 -0.701 1
1 609 . 2 1 1 A 46 46 ASP H H 46 7.520 7.848 -0.328 1
1 610 . 2 1 1 A 46 46 ASP HA H 46 4.888 4.941 -0.053 1
1 613 . 2 1 1 A 46 46 ASP C C 46 175.811 174.087 1.724 1
1 614 . 2 1 1 A 46 46 ASP CA C 46 54.268 52.867 1.401 1
1 615 . 2 1 1 A 46 46 ASP CB C 46 42.178 40.967 1.211 1
1 616 . 2 1 1 A 46 46 ASP N N 46 118.587 120.630 -2.043 1
1 617 . 2 1 1 A 47 47 ILE H H 47 6.965 8.353 -1.388 1
1 618 . 2 1 1 A 47 47 ILE HA H 47 4.048 4.958 -0.910 1
1 628 . 2 1 1 A 47 47 ILE C C 47 175.362 174.719 0.643 1
1 629 . 2 1 1 A 47 47 ILE CA C 47 59.826 60.288 -0.462 1
1 630 . 2 1 1 A 47 47 ILE CB C 47 34.389 41.420 -7.031 1
1 634 . 2 1 1 A 47 47 ILE N N 47 119.126 124.280 -5.154 1
1 635 . 2 1 1 A 48 48 LYS H H 48 8.489 9.375 -0.886 1
1 636 . 2 1 1 A 48 48 LYS HA H 48 4.635 4.470 0.165 1
1 645 . 2 1 1 A 48 48 LYS C C 48 177.252 177.809 -0.557 1
1 646 . 2 1 1 A 48 48 LYS CA C 48 54.357 55.426 -1.069 1
1 647 . 2 1 1 A 48 48 LYS CB C 48 34.753 33.699 1.054 1
1 651 . 2 1 1 A 48 48 LYS N N 48 127.892 126.319 1.573 1
1 652 . 2 1 1 A 49 49 ARG H H 49 8.816 8.803 0.013 1
1 653 . 2 1 1 A 49 49 ARG HA H 49 4.314 4.202 0.112 1
1 660 . 2 1 1 A 49 49 ARG C C 49 178.464 178.205 0.259 1
1 661 . 2 1 1 A 49 49 ARG CA C 49 60.341 59.001 1.340 1
1 662 . 2 1 1 A 49 49 ARG CB C 49 30.197 30.042 0.155 1
1 665 . 2 1 1 A 49 49 ARG N N 49 122.736 122.385 0.351 1
1 666 . 2 1 1 A 50 50 THR H H 50 8.269 8.094 0.175 1
1 667 . 2 1 1 A 50 50 THR HA H 50 4.079 3.943 0.136 1
1 672 . 2 1 1 A 50 50 THR C C 50 177.316 177.205 0.111 1
1 673 . 2 1 1 A 50 50 THR CA C 50 65.501 66.892 -1.391 1
1 674 . 2 1 1 A 50 50 THR CB C 50 67.951 68.229 -0.278 1
1 676 . 2 1 1 A 50 50 THR N N 50 110.696 116.594 -5.898 1
1 677 . 2 1 1 A 51 51 GLU H H 51 7.260 8.020 -0.760 1
1 678 . 2 1 1 A 51 51 GLU HA H 51 4.239 4.204 0.035 1
1 683 . 2 1 1 A 51 51 GLU C C 51 179.621 178.792 0.829 1
1 684 . 2 1 1 A 51 51 GLU CA C 51 58.921 59.443 -0.522 1
1 685 . 2 1 1 A 51 51 GLU CB C 51 29.916 29.573 0.343 1
1 687 . 2 1 1 A 51 51 GLU N N 51 121.344 120.607 0.737 1
1 688 . 2 1 1 A 52 52 TYR H H 52 8.678 8.293 0.385 1
1 689 . 2 1 1 A 52 52 TYR HA H 52 4.376 4.405 -0.029 1
1 697 . 2 1 1 A 52 52 TYR C C 52 176.120 177.670 -1.550 1
1 698 . 2 1 1 A 52 52 TYR CA C 52 62.660 61.391 1.269 1
1 699 . 2 1 1 A 52 52 TYR CB C 52 38.206 38.701 -0.495 1
1 702 . 2 1 1 A 52 52 TYR N N 52 122.483 122.392 0.091 1
1 703 . 2 1 1 A 53 53 GLN H H 53 8.801 8.562 0.239 1
1 704 . 2 1 1 A 53 53 GLN HA H 53 3.721 3.850 -0.129 1
1 711 . 2 1 1 A 53 53 GLN C C 53 177.894 178.274 -0.380 1
1 712 . 2 1 1 A 53 53 GLN CA C 53 58.111 58.957 -0.846 1
1 713 . 2 1 1 A 53 53 GLN CB C 53 28.909 28.407 0.502 1
1 715 . 2 1 1 A 53 53 GLN N N 53 118.817 118.098 0.719 1
1 717 . 2 1 1 A 54 54 LYS H H 54 7.685 8.173 -0.488 1
1 718 . 2 1 1 A 54 54 LYS HA H 54 4.051 4.024 0.027 1
1 727 . 2 1 1 A 54 54 LYS C C 54 178.918 178.381 0.537 1
1 728 . 2 1 1 A 54 54 LYS CA C 54 59.845 59.073 0.772 1
1 729 . 2 1 1 A 54 54 LYS CB C 54 32.339 32.374 -0.035 1
1 733 . 2 1 1 A 54 54 LYS N N 54 118.629 119.889 -1.260 1
1 734 . 2 1 1 A 55 55 PHE H H 55 7.533 8.154 -0.621 1
1 735 . 2 1 1 A 55 55 PHE HA H 55 3.660 3.638 0.022 1
1 743 . 2 1 1 A 55 55 PHE C C 55 176.180 176.724 -0.544 1
1 744 . 2 1 1 A 55 55 PHE CA C 55 59.494 60.879 -1.385 1
1 745 . 2 1 1 A 55 55 PHE CB C 55 38.189 38.879 -0.690 1
1 749 . 2 1 1 A 55 55 PHE N N 55 120.449 120.585 -0.136 1
1 750 . 2 1 1 A 56 56 LEU H H 56 8.019 8.617 -0.598 1
1 751 . 2 1 1 A 56 56 LEU HA H 56 3.254 3.571 -0.317 1
1 761 . 2 1 1 A 56 56 LEU C C 56 179.581 179.064 0.517 1
1 762 . 2 1 1 A 56 56 LEU CA C 56 57.366 57.518 -0.152 1
1 763 . 2 1 1 A 56 56 LEU CB C 56 41.462 40.864 0.598 1
1 767 . 2 1 1 A 56 56 LEU N N 56 120.223 119.644 0.579 1
1 768 . 2 1 1 A 57 57 ASN H H 57 8.427 8.395 0.032 1
1 769 . 2 1 1 A 57 57 ASN HA H 57 4.324 4.444 -0.120 1
1 774 . 2 1 1 A 57 57 ASN C C 57 178.105 178.376 -0.271 1
1 775 . 2 1 1 A 57 57 ASN CA C 57 55.194 56.546 -1.352 1
1 776 . 2 1 1 A 57 57 ASN CB C 57 36.948 37.820 -0.872 1
1 777 . 2 1 1 A 57 57 ASN N N 57 118.422 118.474 -0.052 1
1 779 . 2 1 1 A 58 58 GLU H H 58 7.873 8.307 -0.434 1
1 780 . 2 1 1 A 58 58 GLU HA H 58 4.063 4.040 0.023 1
1 785 . 2 1 1 A 58 58 GLU C C 58 179.660 178.637 1.023 1
1 786 . 2 1 1 A 58 58 GLU CA C 58 59.064 58.991 0.073 1
1 787 . 2 1 1 A 58 58 GLU CB C 58 29.592 29.584 0.008 1
1 789 . 2 1 1 A 58 58 GLU N N 58 121.129 119.992 1.137 1
1 790 . 2 1 1 A 59 59 TYR H H 59 8.638 7.914 0.724 1
1 791 . 2 1 1 A 59 59 TYR HA H 59 3.949 4.002 -0.053 1
1 798 . 2 1 1 A 59 59 TYR C C 59 179.907 178.360 1.547 1
1 799 . 2 1 1 A 59 59 TYR CA C 59 61.870 60.968 0.902 1
1 800 . 2 1 1 A 59 59 TYR CB C 59 38.156 37.976 0.180 1
1 803 . 2 1 1 A 59 59 TYR N N 59 124.461 121.293 3.168 1
1 804 . 2 1 1 A 60 60 GLY H H 60 8.925 8.508 0.417 1
1 805 . 2 1 1 A 60 60 GLY HA2 H 60 3.947 3.956 -0.009 1
1 806 . 2 1 1 A 60 60 GLY HA3 H 60 4.175 3.961 0.214 1
1 807 . 2 1 1 A 60 60 GLY C C 60 173.294 174.943 -1.649 1
1 808 . 2 1 1 A 60 60 GLY CA C 60 46.424 45.982 0.442 1
1 809 . 2 1 1 A 60 60 GLY N N 60 107.578 106.256 1.322 1
1 810 . 2 1 1 A 61 61 LEU H H 61 7.448 7.856 -0.408 1
1 811 . 2 1 1 A 61 61 LEU HA H 61 4.238 4.281 -0.043 1
1 821 . 2 1 1 A 61 61 LEU C C 61 179.159 176.704 2.455 1
1 822 . 2 1 1 A 61 61 LEU CA C 61 57.274 55.866 1.408 1
1 823 . 2 1 1 A 61 61 LEU CB C 61 42.304 42.133 0.171 1
1 827 . 2 1 1 A 61 61 LEU N N 61 118.202 120.211 -2.009 1
1 828 . 2 1 1 A 62 62 THR H H 62 6.974 7.519 -0.545 1
1 829 . 2 1 1 A 62 62 THR HA H 62 4.385 4.518 -0.133 1
1 834 . 2 1 1 A 62 62 THR C C 62 173.170 172.447 0.723 1
1 835 . 2 1 1 A 62 62 THR CA C 62 59.813 60.943 -1.130 1
1 836 . 2 1 1 A 62 62 THR CB C 62 69.697 70.246 -0.549 1
1 838 . 2 1 1 A 62 62 THR N N 62 101.223 113.205 -11.982 1
1 839 . 2 1 1 A 63 63 HIS H H 63 7.041 7.424 -0.383 1
1 840 . 2 1 1 A 63 63 HIS HA H 63 4.861 4.975 -0.114 1
1 845 . 2 1 1 A 63 63 HIS C C 63 172.567 174.396 -1.829 1
1 846 . 2 1 1 A 63 63 HIS CA C 63 55.522 54.545 0.977 1
1 847 . 2 1 1 A 63 63 HIS CB C 63 32.328 33.164 -0.836 1
1 850 . 2 1 1 A 63 63 HIS N N 63 116.818 120.655 -3.837 1
1 853 . 2 1 1 A 64 64 SER H H 64 8.717 8.751 -0.034 1
1 854 . 2 1 1 A 64 64 SER HA H 64 4.582 4.508 0.074 1
1 857 . 2 1 1 A 64 64 SER C C 64 174.545 175.177 -0.632 1
1 858 . 2 1 1 A 64 64 SER CA C 64 57.169 58.421 -1.252 1
1 859 . 2 1 1 A 64 64 SER CB C 64 65.484 64.063 1.421 1
1 860 . 2 1 1 A 64 64 SER N N 64 116.128 118.656 -2.528 1
1 861 . 2 1 1 A 65 65 TYR H H 65 9.054 9.267 -0.213 1
1 862 . 2 1 1 A 65 65 TYR HA H 65 4.059 4.121 -0.062 1
1 869 . 2 1 1 A 65 65 TYR C C 65 176.918 177.337 -0.419 1
1 870 . 2 1 1 A 65 65 TYR CA C 65 61.906 62.574 -0.668 1
1 871 . 2 1 1 A 65 65 TYR CB C 65 38.185 38.728 -0.543 1
1 874 . 2 1 1 A 65 65 TYR N N 65 121.679 124.352 -2.673 1
1 875 . 2 1 1 A 66 66 GLU H H 66 8.965 8.433 0.532 1
1 876 . 2 1 1 A 66 66 GLU HA H 66 3.888 4.015 -0.127 1
1 881 . 2 1 1 A 66 66 GLU C C 66 178.764 179.188 -0.424 1
1 882 . 2 1 1 A 66 66 GLU CA C 66 59.329 59.243 0.086 1
1 883 . 2 1 1 A 66 66 GLU CB C 66 28.874 29.266 -0.392 1
1 885 . 2 1 1 A 66 66 GLU N N 66 117.723 117.959 -0.236 1
1 886 . 2 1 1 A 67 67 THR H H 67 7.626 8.093 -0.467 1
1 887 . 2 1 1 A 67 67 THR HA H 67 3.864 4.151 -0.287 1
1 892 . 2 1 1 A 67 67 THR C C 67 176.681 176.366 0.315 1
1 893 . 2 1 1 A 67 67 THR CA C 67 66.368 67.111 -0.743 1
1 894 . 2 1 1 A 67 67 THR CB C 67 68.290 68.029 0.261 1
1 896 . 2 1 1 A 67 67 THR N N 67 116.084 118.261 -2.177 1
1 897 . 2 1 1 A 68 68 ILE H H 68 8.324 7.988 0.336 1
1 898 . 2 1 1 A 68 68 ILE HA H 68 3.686 3.847 -0.161 1
1 908 . 2 1 1 A 68 68 ILE C C 68 176.527 177.393 -0.866 1
1 909 . 2 1 1 A 68 68 ILE CA C 68 65.205 62.767 2.438 1
1 910 . 2 1 1 A 68 68 ILE CB C 68 38.355 37.610 0.745 1
1 914 . 2 1 1 A 68 68 ILE N N 68 123.174 120.671 2.503 1
1 915 . 2 1 1 A 69 69 ARG H H 69 8.407 8.151 0.256 1
1 916 . 2 1 1 A 69 69 ARG HA H 69 3.673 3.652 0.021 1
1 923 . 2 1 1 A 69 69 ARG C C 69 179.687 178.596 1.091 1
1 924 . 2 1 1 A 69 69 ARG CA C 69 59.577 59.704 -0.127 1
1 925 . 2 1 1 A 69 69 ARG CB C 69 29.560 29.582 -0.022 1
1 928 . 2 1 1 A 69 69 ARG N N 69 121.358 121.880 -0.522 1
1 929 . 2 1 1 A 70 70 LYS H H 70 7.562 7.696 -0.134 1
1 930 . 2 1 1 A 70 70 LYS HA H 70 3.617 3.915 -0.298 1
1 939 . 2 1 1 A 70 70 LYS C C 70 177.129 178.497 -1.368 1
1 940 . 2 1 1 A 70 70 LYS CA C 70 59.380 59.006 0.374 1
1 941 . 2 1 1 A 70 70 LYS CB C 70 31.978 32.051 -0.073 1
1 945 . 2 1 1 A 70 70 LYS N N 70 120.218 118.084 2.134 1
1 946 . 2 1 1 A 71 71 LEU H H 71 7.640 8.071 -0.431 1
1 947 . 2 1 1 A 71 71 LEU HA H 71 3.629 3.943 -0.314 1
1 957 . 2 1 1 A 71 71 LEU C C 71 178.157 178.151 0.006 1
1 958 . 2 1 1 A 71 71 LEU CA C 71 58.477 58.063 0.414 1
1 959 . 2 1 1 A 71 71 LEU CB C 71 41.262 41.355 -0.093 1
1 963 . 2 1 1 A 71 71 LEU N N 71 119.991 122.465 -2.474 1
1 964 . 2 1 1 A 72 72 ASN H H 72 8.474 8.329 0.145 1
1 965 . 2 1 1 A 72 72 ASN HA H 72 4.485 4.996 -0.511 1
1 970 . 2 1 1 A 72 72 ASN C C 72 176.285 177.665 -1.380 1
1 971 . 2 1 1 A 72 72 ASN CA C 72 56.424 56.711 -0.287 1
1 972 . 2 1 1 A 72 72 ASN CB C 72 39.544 39.216 0.328 1
1 973 . 2 1 1 A 72 72 ASN N N 72 114.097 117.461 -3.364 1
1 975 . 2 1 1 A 73 73 SER H H 73 7.878 8.110 -0.232 1
1 976 . 2 1 1 A 73 73 SER HA H 73 4.177 4.232 -0.055 1
1 979 . 2 1 1 A 73 73 SER C C 73 176.734 176.963 -0.229 1
1 980 . 2 1 1 A 73 73 SER CA C 73 61.741 61.164 0.577 1
1 981 . 2 1 1 A 73 73 SER CB C 73 62.573 62.507 0.066 1
1 982 . 2 1 1 A 73 73 SER N N 73 115.022 114.861 0.161 1
1 983 . 2 1 1 A 74 74 TYR H H 74 8.078 7.391 0.687 1
1 984 . 2 1 1 A 74 74 TYR HA H 74 5.168 4.649 0.519 1
1 991 . 2 1 1 A 74 74 TYR C C 74 178.436 178.581 -0.145 1
1 992 . 2 1 1 A 74 74 TYR CA C 74 58.023 61.516 -3.493 1
1 993 . 2 1 1 A 74 74 TYR CB C 74 37.835 38.387 -0.552 1
1 996 . 2 1 1 A 74 74 TYR N N 74 122.937 119.670 3.267 1
1 997 . 2 1 1 A 75 75 ILE H H 75 8.264 8.501 -0.237 1
1 998 . 2 1 1 A 75 75 ILE HA H 75 3.647 3.974 -0.327 1
1 1008 . 2 1 1 A 75 75 ILE C C 75 177.656 178.002 -0.346 1
1 1009 . 2 1 1 A 75 75 ILE CA C 75 66.349 65.958 0.391 1
1 1010 . 2 1 1 A 75 75 ILE CB C 75 37.494 38.148 -0.654 1
1 1014 . 2 1 1 A 75 75 ILE N N 75 119.080 120.257 -1.177 1
1 1015 . 2 1 1 A 76 76 ARG H H 76 9.316 8.689 0.627 1
1 1016 . 2 1 1 A 76 76 ARG HA H 76 3.896 3.904 -0.008 1
1 1024 . 2 1 1 A 76 76 ARG C C 76 179.033 178.051 0.982 1
1 1025 . 2 1 1 A 76 76 ARG CA C 76 60.536 59.993 0.543 1
1 1026 . 2 1 1 A 76 76 ARG CB C 76 30.238 29.830 0.408 1
1 1029 . 2 1 1 A 76 76 ARG N N 76 121.985 120.895 1.090 1
1 1031 . 2 1 1 A 77 77 ASN H H 77 8.003 8.300 -0.297 1
1 1032 . 2 1 1 A 77 77 ASN HA H 77 4.605 4.512 0.093 1
1 1037 . 2 1 1 A 77 77 ASN C C 77 177.146 177.317 -0.171 1
1 1038 . 2 1 1 A 77 77 ASN CA C 77 55.755 56.633 -0.878 1
1 1039 . 2 1 1 A 77 77 ASN CB C 77 38.857 39.518 -0.661 1
1 1040 . 2 1 1 A 77 77 ASN N N 77 117.750 118.229 -0.479 1
1 1042 . 2 1 1 A 78 78 ALA H H 78 8.082 7.614 0.468 1
1 1043 . 2 1 1 A 78 78 ALA HA H 78 2.351 2.800 -0.449 1
1 1047 . 2 1 1 A 78 78 ALA C C 78 181.084 179.764 1.320 1
1 1048 . 2 1 1 A 78 78 ALA CA C 78 54.703 54.391 0.312 1
1 1049 . 2 1 1 A 78 78 ALA CB C 78 16.121 17.823 -1.702 1
1 1050 . 2 1 1 A 78 78 ALA N N 78 124.770 121.027 3.743 1
1 1051 . 2 1 1 A 79 79 PHE H H 79 8.603 7.936 0.667 1
1 1052 . 2 1 1 A 79 79 PHE HA H 79 3.974 4.213 -0.239 1
1 1060 . 2 1 1 A 79 79 PHE C C 79 177.841 177.879 -0.038 1
1 1061 . 2 1 1 A 79 79 PHE CA C 79 63.302 61.411 1.891 1
1 1062 . 2 1 1 A 79 79 PHE CB C 79 40.594 38.443 2.151 1
1 1066 . 2 1 1 A 79 79 PHE N N 79 116.847 115.834 1.013 1
1 1067 . 2 1 1 A 80 80 ASP H H 80 8.298 8.706 -0.408 1
1 1068 . 2 1 1 A 80 80 ASP HA H 80 4.620 4.218 0.402 1
1 1071 . 2 1 1 A 80 80 ASP C C 80 179.845 177.795 2.050 1
1 1072 . 2 1 1 A 80 80 ASP CA C 80 57.957 57.763 0.194 1
1 1073 . 2 1 1 A 80 80 ASP CB C 80 39.595 40.833 -1.238 1
1 1074 . 2 1 1 A 80 80 ASP N N 80 121.362 120.286 1.076 1
1 1075 . 2 1 1 A 81 81 ASP H H 81 8.051 8.266 -0.215 1
1 1076 . 2 1 1 A 81 81 ASP HA H 81 4.724 4.270 0.454 1
1 1079 . 2 1 1 A 81 81 ASP C C 81 177.963 178.062 -0.099 1
1 1080 . 2 1 1 A 81 81 ASP CA C 81 57.537 57.772 -0.235 1
1 1081 . 2 1 1 A 81 81 ASP CB C 81 39.463 41.451 -1.988 1
1 1082 . 2 1 1 A 81 81 ASP N N 81 122.166 119.401 2.765 1
1 1083 . 2 1 1 A 82 82 ALA H H 82 8.025 7.748 0.277 1
1 1084 . 2 1 1 A 82 82 ALA HA H 82 4.106 4.171 -0.065 1
1 1088 . 2 1 1 A 82 82 ALA C C 82 180.223 179.536 0.687 1
1 1089 . 2 1 1 A 82 82 ALA CA C 82 55.194 55.232 -0.038 1
1 1090 . 2 1 1 A 82 82 ALA CB C 82 17.947 18.197 -0.250 1
1 1091 . 2 1 1 A 82 82 ALA N N 82 124.747 121.408 3.339 1
1 1092 . 2 1 1 A 83 83 ILE H H 83 8.327 8.364 -0.037 1
1 1093 . 2 1 1 A 83 83 ILE HA H 83 4.235 3.976 0.259 1
1 1103 . 2 1 1 A 83 83 ILE C C 83 180.768 177.952 2.816 1
1 1104 . 2 1 1 A 83 83 ILE CA C 83 63.966 63.616 0.350 1
1 1105 . 2 1 1 A 83 83 ILE CB C 83 38.254 37.916 0.338 1
1 1109 . 2 1 1 A 83 83 ILE N N 83 120.907 118.670 2.237 1
1 1110 . 2 1 1 A 84 84 HIS H H 84 7.934 8.177 -0.243 1
1 1111 . 2 1 1 A 84 84 HIS HA H 84 4.434 4.337 0.097 1
1 1116 . 2 1 1 A 84 84 HIS C C 84 178.250 176.633 1.617 1
1 1117 . 2 1 1 A 84 84 HIS CA C 84 59.042 59.441 -0.399 1
1 1118 . 2 1 1 A 84 84 HIS CB C 84 28.750 29.942 -1.192 1
1 1121 . 2 1 1 A 84 84 HIS N N 84 121.346 120.537 0.809 1
1 1124 . 2 1 1 A 85 85 GLU H H 85 8.074 7.856 0.218 1
1 1125 . 2 1 1 A 85 85 GLU HA H 85 4.192 4.340 -0.148 1
1 1130 . 2 1 1 A 85 85 GLU C C 85 176.510 177.059 -0.549 1
1 1131 . 2 1 1 A 85 85 GLU CA C 85 56.512 56.264 0.248 1
1 1132 . 2 1 1 A 85 85 GLU CB C 85 30.284 30.502 -0.218 1
1 1134 . 2 1 1 A 85 85 GLU N N 85 115.467 116.563 -1.096 1
1 1135 . 2 1 1 A 86 86 GLY H H 86 7.715 7.983 -0.268 1
1 1136 . 2 1 1 A 86 86 GLY HA2 H 86 3.844 4.003 -0.159 1
1 1137 . 2 1 1 A 86 86 GLY HA3 H 86 4.136 4.003 0.133 1
1 1138 . 2 1 1 A 86 86 GLY C C 86 175.243 174.473 0.770 1
1 1139 . 2 1 1 A 86 86 GLY CA C 86 45.108 46.328 -1.220 1
1 1140 . 2 1 1 A 86 86 GLY N N 86 105.999 108.425 -2.426 1
1 1141 . 2 1 1 A 87 87 TYR H H 87 8.173 8.577 -0.404 1
1 1142 . 2 1 1 A 87 87 TYR HA H 87 4.396 4.307 0.089 1
1 1149 . 2 1 1 A 87 87 TYR CA C 87 59.317 60.682 -1.365 1
1 1150 . 2 1 1 A 87 87 TYR CB C 87 39.558 39.519 0.039 1
1 1153 . 2 1 1 A 87 87 TYR N N 87 118.412 121.275 -2.863 1
1 1154 . 2 1 1 A 88 88 VAL HA H 88 4.583 4.571 0.012 1
1 1162 . 2 1 1 A 88 88 VAL CB C 88 36.112 34.559 1.553 1
1 1165 . 2 1 1 A 89 89 ILE HA H 89 4.426 4.372 0.054 1
1 1175 . 2 1 1 A 89 89 ILE CA C 89 61.984 61.352 0.632 1
1 1176 . 2 1 1 A 89 89 ILE CB C 89 39.850 38.971 0.879 1
1 1180 . 2 1 1 A 90 90 LYS H H 90 7.387 7.511 -0.124 1
1 1181 . 2 1 1 A 90 90 LYS HA H 90 4.508 4.760 -0.252 1
1 1190 . 2 1 1 A 90 90 LYS C C 90 174.665 174.556 0.109 1
1 1191 . 2 1 1 A 90 90 LYS CA C 90 54.111 54.345 -0.234 1
1 1192 . 2 1 1 A 90 90 LYS CB C 90 35.086 36.755 -1.669 1
1 1196 . 2 1 1 A 91 91 ASN H H 91 8.803 8.731 0.072 1
1 1197 . 2 1 1 A 91 91 ASN HA H 91 4.279 5.130 -0.851 1
1 1202 . 2 1 1 A 91 91 ASN CB C 91 38.879 40.099 -1.220 1
1 1203 . 2 1 1 A 91 91 ASN N N 91 120.903 119.210 1.693 1
1 1205 . 2 1 1 A 92 92 PRO HA H 92 4.206 4.336 -0.130 1
1 1212 . 2 1 1 A 92 92 PRO C C 92 174.751 176.705 -1.954 1
1 1213 . 2 1 1 A 92 92 PRO CA C 92 63.927 63.609 0.318 1
1 1214 . 2 1 1 A 92 92 PRO CB C 92 30.969 32.343 -1.374 1
1 1217 . 2 1 1 A 93 93 THR H H 93 7.441 7.559 -0.118 1
1 1218 . 2 1 1 A 93 93 THR HA H 93 4.093 4.072 0.021 1
1 1224 . 2 1 1 A 93 93 THR C C 93 175.922 174.619 1.303 1
1 1225 . 2 1 1 A 93 93 THR CA C 93 62.221 62.161 0.060 1
1 1226 . 2 1 1 A 93 93 THR CB C 93 69.463 69.282 0.181 1
1 1228 . 2 1 1 A 93 93 THR N N 93 105.991 109.926 -3.935 1
1 1229 . 2 1 1 A 94 94 TYR H H 94 7.139 7.842 -0.703 1
1 1230 . 2 1 1 A 94 94 TYR HA H 94 4.393 4.415 -0.022 1
1 1237 . 2 1 1 A 94 94 TYR C C 94 176.180 176.327 -0.147 1
1 1238 . 2 1 1 A 94 94 TYR CA C 94 58.272 59.569 -1.297 1
1 1239 . 2 1 1 A 94 94 TYR CB C 94 37.490 39.071 -1.581 1
1 1242 . 2 1 1 A 94 94 TYR N N 94 124.098 124.028 0.070 1
1 1243 . 2 1 1 A 95 95 LYS H H 95 8.904 7.911 0.993 1
1 1244 . 2 1 1 A 95 95 LYS HA H 95 3.758 3.774 -0.016 1
1 1253 . 2 1 1 A 95 95 LYS C C 95 175.547 176.047 -0.500 1
1 1254 . 2 1 1 A 95 95 LYS CA C 95 57.078 57.334 -0.256 1
1 1255 . 2 1 1 A 95 95 LYS CB C 95 29.962 29.556 0.406 1
1 1259 . 2 1 1 A 95 95 LYS N N 95 121.317 122.062 -0.745 1
1 1260 . 2 1 1 A 96 96 ALA H H 96 7.583 7.726 -0.143 1
1 1261 . 2 1 1 A 96 96 ALA HA H 96 4.157 4.264 -0.107 1
1 1265 . 2 1 1 A 96 96 ALA C C 96 177.630 176.903 0.727 1
1 1266 . 2 1 1 A 96 96 ALA CA C 96 53.298 52.120 1.178 1
1 1267 . 2 1 1 A 96 96 ALA CB C 96 18.807 17.943 0.864 1
1 1268 . 2 1 1 A 96 96 ALA N N 96 121.832 120.752 1.080 1
1 1269 . 2 1 1 A 97 97 GLU H H 97 9.243 7.958 1.285 1
1 1270 . 2 1 1 A 97 97 GLU HA H 97 4.347 4.405 -0.058 1
1 1275 . 2 1 1 A 97 97 GLU C C 97 175.890 175.724 0.166 1
1 1276 . 2 1 1 A 97 97 GLU CA C 97 55.198 56.528 -1.330 1
1 1277 . 2 1 1 A 97 97 GLU CB C 97 30.931 30.319 0.612 1
1 1279 . 2 1 1 A 97 97 GLU N N 97 121.989 119.342 2.647 1
1 1280 . 2 1 1 A 98 98 LEU H H 98 8.401 8.811 -0.410 1
1 1281 . 2 1 1 A 98 98 LEU HA H 98 4.277 4.570 -0.293 1
1 1291 . 2 1 1 A 98 98 LEU C C 98 175.738 175.235 0.503 1
1 1292 . 2 1 1 A 98 98 LEU CA C 98 54.337 54.401 -0.064 1
1 1293 . 2 1 1 A 98 98 LEU CB C 98 41.634 40.403 1.231 1
1 1297 . 2 1 1 A 98 98 LEU N N 98 123.414 127.411 -3.997 1
1 1298 . 2 1 1 A 99 99 HIS H H 99 8.749 8.884 -0.135 1
1 1299 . 2 1 1 A 99 99 HIS HA H 99 4.706 5.106 -0.400 1
1 1304 . 2 1 1 A 99 99 HIS C C 99 173.912 173.456 0.456 1
1 1305 . 2 1 1 A 99 99 HIS CA C 99 55.183 53.846 1.337 1
1 1306 . 2 1 1 A 99 99 HIS CB C 99 29.916 31.241 -1.325 1
1 1309 . 2 1 1 A 99 99 HIS N N 99 121.129 125.374 -4.245 1
1 1312 . 2 1 1 A 100 100 ALA H H 100 8.369 8.543 -0.174 1
1 1313 . 2 1 1 A 100 100 ALA HA H 100 4.518 4.900 -0.382 1
1 1317 . 2 1 1 A 100 100 ALA C C 100 177.533 178.009 -0.476 1
1 1318 . 2 1 1 A 100 100 ALA CA C 100 51.753 50.710 1.043 1
1 1319 . 2 1 1 A 100 100 ALA CB C 100 20.081 20.290 -0.209 1
1 1320 . 2 1 1 A 100 100 ALA N N 100 125.646 130.855 -5.209 1
1 1321 . 2 1 1 A 101 101 SER H H 101 8.357 8.545 -0.188 1
1 1322 . 2 1 1 A 101 101 SER HA H 101 4.452 4.323 0.129 1
1 1325 . 2 1 1 A 101 101 SER C C 101 174.729 174.597 0.132 1
1 1326 . 2 1 1 A 101 101 SER CA C 101 58.781 60.019 -1.238 1
1 1327 . 2 1 1 A 101 101 SER CB C 101 63.865 63.456 0.409 1
1 1328 . 2 1 1 A 101 101 SER N N 101 115.505 118.940 -3.435 1
1 1329 . 2 1 1 A 102 102 VAL H H 102 7.884 7.014 0.870 1
1 1330 . 2 1 1 A 102 102 VAL HA H 102 4.111 4.152 -0.041 1
1 1338 . 2 1 1 A 102 102 VAL C C 102 175.837 174.735 1.102 1
1 1339 . 2 1 1 A 102 102 VAL CA C 102 62.237 62.321 -0.084 1
1 1340 . 2 1 1 A 102 102 VAL CB C 102 32.336 29.248 3.088 1
1 1343 . 2 1 1 A 102 102 VAL N N 102 120.880 121.247 -0.367 1
1 1344 . 2 1 1 A 103 103 LEU H H 103 8.170 8.045 0.125 1
1 1345 . 2 1 1 A 103 103 LEU HA H 103 4.299 4.943 -0.644 1
1 1355 . 2 1 1 A 103 103 LEU C C 103 177.129 175.638 1.491 1
1 1356 . 2 1 1 A 103 103 LEU CA C 103 54.999 53.931 1.068 1
1 1357 . 2 1 1 A 103 103 LEU CB C 103 42.276 43.366 -1.090 1
1 1361 . 2 1 1 A 103 103 LEU N N 103 124.757 127.869 -3.112 1
1 1362 . 2 1 1 A 104 104 GLU H H 104 8.244 8.755 -0.511 1
1 1363 . 2 1 1 A 104 104 GLU HA H 104 4.175 4.258 -0.083 1
1 1368 . 2 1 1 A 104 104 GLU C C 104 176.153 176.341 -0.188 1
1 1369 . 2 1 1 A 104 104 GLU CA C 104 56.413 56.478 -0.065 1
1 1370 . 2 1 1 A 104 104 GLU CB C 104 30.270 29.410 0.860 1
1 1372 . 2 1 1 A 104 104 GLU N N 104 121.146 125.610 -4.464 1
1 1373 . 2 1 1 A 105 105 HIS H H 105 8.242 8.680 -0.438 1
1 1376 . 2 1 1 A 105 105 HIS C C 105 174.967 172.936 2.031 1
1 1377 . 2 1 1 A 105 105 HIS CA C 105 56.137 53.622 2.515 1
1 1378 . 2 1 1 A 105 105 HIS CB C 105 30.290 32.108 -1.818 1
1 13 . 3 1 1 A 2 2 ILE HA H 2 4.615 4.890 -0.275 1
1 23 . 3 1 1 A 2 2 ILE C C 2 175.630 173.989 1.641 1
1 24 . 3 1 1 A 2 2 ILE CA C 2 60.619 59.520 1.099 1
1 25 . 3 1 1 A 2 2 ILE CB C 2 40.542 42.116 -1.574 1
1 29 . 3 1 1 A 3 3 THR H H 3 9.133 8.723 0.410 1
1 30 . 3 1 1 A 3 3 THR HA H 3 4.656 4.603 0.053 1
1 36 . 3 1 1 A 3 3 THR C C 3 174.729 175.853 -1.124 1
1 37 . 3 1 1 A 3 3 THR CA C 3 61.509 61.511 -0.002 1
1 38 . 3 1 1 A 3 3 THR CB C 3 69.896 70.253 -0.357 1
1 40 . 3 1 1 A 3 3 THR N N 3 119.091 117.869 1.222 1
1 41 . 3 1 1 A 4 4 PHE H H 4 8.642 9.539 -0.897 1
1 42 . 3 1 1 A 4 4 PHE HA H 4 4.576 4.212 0.364 1
1 50 . 3 1 1 A 4 4 PHE C C 4 176.302 177.439 -1.137 1
1 51 . 3 1 1 A 4 4 PHE CA C 4 58.368 62.599 -4.231 1
1 52 . 3 1 1 A 4 4 PHE CB C 4 37.526 39.356 -1.830 1
1 56 . 3 1 1 A 4 4 PHE N N 4 122.510 123.010 -0.500 1
1 57 . 3 1 1 A 5 5 ALA H H 5 9.195 8.466 0.729 1
1 58 . 3 1 1 A 5 5 ALA HA H 5 3.692 3.974 -0.282 1
1 62 . 3 1 1 A 5 5 ALA C C 5 178.210 179.280 -1.070 1
1 63 . 3 1 1 A 5 5 ALA CA C 5 56.073 55.273 0.800 1
1 64 . 3 1 1 A 5 5 ALA CB C 5 17.897 18.195 -0.298 1
1 65 . 3 1 1 A 5 5 ALA N N 5 120.106 121.050 -0.944 1
1 66 . 3 1 1 A 6 6 ASP H H 6 7.978 7.982 -0.004 1
1 67 . 3 1 1 A 6 6 ASP HA H 6 4.615 4.560 0.055 1
1 70 . 3 1 1 A 6 6 ASP C C 6 179.370 178.310 1.060 1
1 71 . 3 1 1 A 6 6 ASP CA C 6 57.369 57.374 -0.005 1
1 72 . 3 1 1 A 6 6 ASP CB C 6 39.556 40.863 -1.307 1
1 73 . 3 1 1 A 6 6 ASP N N 6 115.486 118.488 -3.002 1
1 74 . 3 1 1 A 7 7 TYR H H 7 8.776 8.330 0.446 1
1 75 . 3 1 1 A 7 7 TYR HA H 7 3.984 4.352 -0.368 1
1 82 . 3 1 1 A 7 7 TYR C C 7 176.232 177.485 -1.253 1
1 83 . 3 1 1 A 7 7 TYR CA C 7 62.241 61.584 0.657 1
1 84 . 3 1 1 A 7 7 TYR CB C 7 38.521 38.520 0.001 1
1 87 . 3 1 1 A 7 7 TYR N N 7 120.885 120.701 0.184 1
1 88 . 3 1 1 A 8 8 PHE H H 8 9.024 8.539 0.485 1
1 89 . 3 1 1 A 8 8 PHE HA H 8 3.732 4.102 -0.370 1
1 97 . 3 1 1 A 8 8 PHE C C 8 176.261 176.985 -0.724 1
1 98 . 3 1 1 A 8 8 PHE CA C 8 62.936 62.012 0.924 1
1 99 . 3 1 1 A 8 8 PHE CB C 8 39.553 38.755 0.798 1
1 103 . 3 1 1 A 8 8 PHE N N 8 118.754 120.922 -2.168 1
1 104 . 3 1 1 A 9 9 TYR H H 9 8.202 8.210 -0.008 1
1 105 . 3 1 1 A 9 9 TYR HA H 9 3.742 4.061 -0.319 1
1 112 . 3 1 1 A 9 9 TYR C C 9 176.496 177.177 -0.681 1
1 113 . 3 1 1 A 9 9 TYR CA C 9 62.939 61.430 1.509 1
1 114 . 3 1 1 A 9 9 TYR CB C 9 37.941 38.373 -0.432 1
1 117 . 3 1 1 A 9 9 TYR N N 9 117.271 120.429 -3.158 1
1 118 . 3 1 1 A 10 10 GLN H H 10 8.029 8.592 -0.563 1
1 119 . 3 1 1 A 10 10 GLN HA H 10 3.928 4.006 -0.078 1
1 126 . 3 1 1 A 10 10 GLN C C 10 177.393 177.721 -0.328 1
1 127 . 3 1 1 A 10 10 GLN CA C 10 58.717 58.619 0.098 1
1 128 . 3 1 1 A 10 10 GLN CB C 10 28.482 28.548 -0.066 1
1 130 . 3 1 1 A 10 10 GLN N N 10 117.935 117.940 -0.005 1
1 132 . 3 1 1 A 11 11 TRP H H 11 8.772 8.438 0.334 1
1 133 . 3 1 1 A 11 11 TRP HA H 11 3.690 4.124 -0.434 1
1 142 . 3 1 1 A 11 11 TRP C C 11 178.487 177.480 1.007 1
1 143 . 3 1 1 A 11 11 TRP CA C 11 61.256 60.554 0.702 1
1 144 . 3 1 1 A 11 11 TRP CB C 11 27.472 29.394 -1.922 1
1 150 . 3 1 1 A 11 11 TRP N N 11 121.577 121.968 -0.391 1
1 152 . 3 1 1 A 12 12 TYR H H 12 8.168 8.124 0.044 1
1 153 . 3 1 1 A 12 12 TYR HA H 12 2.938 3.122 -0.184 1
1 160 . 3 1 1 A 12 12 TYR C C 12 177.277 177.037 0.240 1
1 161 . 3 1 1 A 12 12 TYR CA C 12 59.178 60.861 -1.683 1
1 162 . 3 1 1 A 12 12 TYR CB C 12 36.729 37.923 -1.194 1
1 165 . 3 1 1 A 12 12 TYR N N 12 121.811 121.315 0.496 1
1 166 . 3 1 1 A 13 13 GLU H H 13 8.434 8.006 0.428 1
1 167 . 3 1 1 A 13 13 GLU HA H 13 2.996 3.352 -0.356 1
1 172 . 3 1 1 A 13 13 GLU C C 13 177.157 178.219 -1.062 1
1 173 . 3 1 1 A 13 13 GLU CA C 13 59.164 58.499 0.665 1
1 174 . 3 1 1 A 13 13 GLU CB C 13 29.447 29.095 0.352 1
1 176 . 3 1 1 A 13 13 GLU N N 13 123.599 119.000 4.599 1
1 177 . 3 1 1 A 14 14 VAL H H 14 7.605 6.993 0.612 1
1 178 . 3 1 1 A 14 14 VAL HA H 14 3.562 3.726 -0.164 1
1 186 . 3 1 1 A 14 14 VAL C C 14 177.289 176.410 0.879 1
1 187 . 3 1 1 A 14 14 VAL CA C 14 64.338 65.073 -0.735 1
1 188 . 3 1 1 A 14 14 VAL CB C 14 32.669 31.511 1.158 1
1 191 . 3 1 1 A 14 14 VAL N N 14 113.566 119.365 -5.799 1
1 192 . 3 1 1 A 15 15 ASN H H 15 7.482 7.492 -0.010 1
1 193 . 3 1 1 A 15 15 ASN HA H 15 4.429 4.608 -0.179 1
1 198 . 3 1 1 A 15 15 ASN C C 15 175.201 176.261 -1.060 1
1 199 . 3 1 1 A 15 15 ASN CA C 15 55.218 54.059 1.159 1
1 200 . 3 1 1 A 15 15 ASN CB C 15 39.927 38.865 1.062 1
1 201 . 3 1 1 A 15 15 ASN N N 15 112.195 119.617 -7.422 1
1 203 . 3 1 1 A 16 16 LYS H H 16 7.413 7.639 -0.226 1
1 204 . 3 1 1 A 16 16 LYS HA H 16 4.338 4.282 0.056 1
1 213 . 3 1 1 A 16 16 LYS C C 16 175.309 177.030 -1.721 1
1 214 . 3 1 1 A 16 16 LYS CA C 16 54.807 56.016 -1.209 1
1 215 . 3 1 1 A 16 16 LYS CB C 16 32.665 33.627 -0.962 1
1 219 . 3 1 1 A 16 16 LYS N N 16 115.814 116.889 -1.075 1
1 220 . 3 1 1 A 17 17 LEU H H 17 7.490 7.321 0.169 1
1 221 . 3 1 1 A 17 17 LEU HA H 17 3.603 3.475 0.128 1
1 231 . 3 1 1 A 17 17 LEU C C 17 173.754 176.923 -3.169 1
1 232 . 3 1 1 A 17 17 LEU CA C 17 59.847 59.427 0.420 1
1 233 . 3 1 1 A 17 17 LEU CB C 17 39.552 39.572 -0.020 1
1 237 . 3 1 1 A 17 17 LEU N N 17 121.586 121.545 0.041 1
1 238 . 3 1 1 A 18 18 PRO HA H 18 4.107 4.218 -0.111 1
1 245 . 3 1 1 A 18 18 PRO C C 18 176.412 176.149 0.263 1
1 246 . 3 1 1 A 18 18 PRO CA C 18 64.656 63.755 0.901 1
1 247 . 3 1 1 A 18 18 PRO CB C 18 30.980 32.058 -1.078 1
1 250 . 3 1 1 A 19 19 HIS H H 19 7.631 7.755 -0.124 1
1 251 . 3 1 1 A 19 19 HIS HA H 19 4.857 4.543 0.314 1
1 256 . 3 1 1 A 19 19 HIS C C 19 175.822 174.911 0.911 1
1 257 . 3 1 1 A 19 19 HIS CA C 19 55.004 57.129 -2.125 1
1 258 . 3 1 1 A 19 19 HIS CB C 19 32.358 31.765 0.593 1
1 260 . 3 1 1 A 19 19 HIS N N 19 111.190 116.832 -5.642 1
1 263 . 3 1 1 A 20 20 VAL H H 20 7.124 7.868 -0.744 1
1 264 . 3 1 1 A 20 20 VAL HA H 20 4.728 4.170 0.558 1
1 272 . 3 1 1 A 20 20 VAL C C 20 175.497 175.786 -0.289 1
1 273 . 3 1 1 A 20 20 VAL CA C 20 60.134 61.659 -1.525 1
1 274 . 3 1 1 A 20 20 VAL CB C 20 34.199 33.005 1.194 1
1 277 . 3 1 1 A 20 20 VAL N N 20 112.191 116.701 -4.510 1
1 278 . 3 1 1 A 21 21 SER H H 21 8.589 8.876 -0.287 1
1 279 . 3 1 1 A 21 21 SER HA H 21 4.531 4.520 0.011 1
1 282 . 3 1 1 A 21 21 SER C C 21 174.840 175.752 -0.912 1
1 283 . 3 1 1 A 21 21 SER CA C 21 57.236 58.243 -1.007 1
1 284 . 3 1 1 A 21 21 SER CB C 21 65.251 64.353 0.898 1
1 285 . 3 1 1 A 21 21 SER N N 21 116.825 119.681 -2.856 1
1 286 . 3 1 1 A 22 22 GLU H H 22 8.964 9.169 -0.205 1
1 287 . 3 1 1 A 22 22 GLU HA H 22 3.922 4.124 -0.202 1
1 292 . 3 1 1 A 22 22 GLU C C 22 178.606 178.790 -0.184 1
1 293 . 3 1 1 A 22 22 GLU CA C 22 59.837 59.904 -0.067 1
1 294 . 3 1 1 A 22 22 GLU CB C 22 29.239 29.167 0.072 1
1 296 . 3 1 1 A 22 22 GLU N N 22 120.863 124.729 -3.866 1
1 297 . 3 1 1 A 23 23 SER H H 23 8.426 8.094 0.332 1
1 298 . 3 1 1 A 23 23 SER HA H 23 4.151 4.197 -0.046 1
1 301 . 3 1 1 A 23 23 SER C C 23 176.977 175.862 1.115 1
1 302 . 3 1 1 A 23 23 SER CA C 23 61.220 62.611 -1.391 1
1 303 . 3 1 1 A 23 23 SER CB C 23 62.252 63.157 -0.905 1
1 304 . 3 1 1 A 23 23 SER N N 23 112.196 117.562 -5.366 1
1 305 . 3 1 1 A 24 24 THR H H 24 7.749 7.954 -0.205 1
1 306 . 3 1 1 A 24 24 THR HA H 24 4.163 4.464 -0.301 1
1 311 . 3 1 1 A 24 24 THR C C 24 176.523 177.160 -0.637 1
1 312 . 3 1 1 A 24 24 THR CA C 24 66.045 65.875 0.170 1
1 313 . 3 1 1 A 24 24 THR CB C 24 68.305 68.885 -0.580 1
1 315 . 3 1 1 A 24 24 THR N N 24 120.348 117.990 2.358 1
1 316 . 3 1 1 A 25 25 LYS H H 25 8.605 8.322 0.283 1
1 317 . 3 1 1 A 25 25 LYS HA H 25 4.064 4.234 -0.170 1
1 326 . 3 1 1 A 25 25 LYS C C 25 178.447 179.662 -1.215 1
1 327 . 3 1 1 A 25 25 LYS CA C 25 61.087 60.008 1.079 1
1 328 . 3 1 1 A 25 25 LYS CB C 25 32.717 32.167 0.550 1
1 332 . 3 1 1 A 25 25 LYS N N 25 123.593 120.832 2.761 1
1 333 . 3 1 1 A 26 26 ARG H H 26 7.485 8.100 -0.615 1
1 334 . 3 1 1 A 26 26 ARG HA H 26 4.146 4.150 -0.004 1
1 341 . 3 1 1 A 26 26 ARG C C 26 179.845 178.565 1.280 1
1 342 . 3 1 1 A 26 26 ARG CA C 26 58.916 58.689 0.227 1
1 343 . 3 1 1 A 26 26 ARG CB C 26 30.384 29.840 0.544 1
1 346 . 3 1 1 A 26 26 ARG N N 26 114.116 118.702 -4.586 1
1 347 . 3 1 1 A 27 27 HIS H H 27 7.677 7.971 -0.294 1
1 348 . 3 1 1 A 27 27 HIS HA H 27 4.757 4.371 0.386 1
1 353 . 3 1 1 A 27 27 HIS C C 27 179.743 177.498 2.245 1
1 354 . 3 1 1 A 27 27 HIS CA C 27 58.659 59.053 -0.394 1
1 355 . 3 1 1 A 27 27 HIS CB C 27 30.967 30.166 0.801 1
1 358 . 3 1 1 A 27 27 HIS N N 27 119.389 118.339 1.050 1
1 361 . 3 1 1 A 28 28 TYR H H 28 8.119 7.757 0.362 1
1 362 . 3 1 1 A 28 28 TYR HA H 28 4.009 4.078 -0.069 1
1 369 . 3 1 1 A 28 28 TYR C C 28 178.685 178.192 0.493 1
1 370 . 3 1 1 A 28 28 TYR CA C 28 63.311 61.918 1.393 1
1 371 . 3 1 1 A 28 28 TYR CB C 28 38.879 37.195 1.684 1
1 374 . 3 1 1 A 28 28 TYR N N 28 121.786 117.250 4.536 1
1 375 . 3 1 1 A 29 29 GLU H H 29 8.631 8.329 0.302 1
1 376 . 3 1 1 A 29 29 GLU HA H 29 4.067 4.105 -0.038 1
1 381 . 3 1 1 A 29 29 GLU C C 29 179.950 179.151 0.799 1
1 382 . 3 1 1 A 29 29 GLU CA C 29 59.827 59.631 0.196 1
1 383 . 3 1 1 A 29 29 GLU CB C 29 29.172 29.764 -0.592 1
1 385 . 3 1 1 A 29 29 GLU N N 29 119.090 120.370 -1.280 1
1 386 . 3 1 1 A 30 30 SER H H 30 8.307 8.564 -0.257 1
1 387 . 3 1 1 A 30 30 SER HA H 30 4.467 4.263 0.204 1
1 390 . 3 1 1 A 30 30 SER C C 30 177.445 176.445 1.000 1
1 391 . 3 1 1 A 30 30 SER CA C 30 61.068 61.958 -0.890 1
1 392 . 3 1 1 A 30 30 SER CB C 30 63.054 63.066 -0.012 1
1 393 . 3 1 1 A 30 30 SER N N 30 115.027 117.420 -2.393 1
1 394 . 3 1 1 A 31 31 ALA H H 31 8.319 8.094 0.225 1
1 395 . 3 1 1 A 31 31 ALA HA H 31 4.070 4.280 -0.210 1
1 399 . 3 1 1 A 31 31 ALA C C 31 178.488 179.239 -0.751 1
1 400 . 3 1 1 A 31 31 ALA CA C 31 55.926 55.125 0.801 1
1 401 . 3 1 1 A 31 31 ALA CB C 31 18.510 18.826 -0.316 1
1 402 . 3 1 1 A 31 31 ALA N N 31 124.966 123.731 1.235 1
1 403 . 3 1 1 A 32 32 TYR H H 32 8.537 8.786 -0.249 1
1 404 . 3 1 1 A 32 32 TYR HA H 32 4.114 4.183 -0.069 1
1 411 . 3 1 1 A 32 32 TYR C C 32 175.705 178.170 -2.465 1
1 412 . 3 1 1 A 32 32 TYR CA C 32 60.480 62.129 -1.649 1
1 413 . 3 1 1 A 32 32 TYR CB C 32 37.864 38.758 -0.894 1
1 416 . 3 1 1 A 32 32 TYR N N 32 116.814 120.228 -3.414 1
1 417 . 3 1 1 A 33 33 LYS H H 33 7.988 8.028 -0.040 1
1 418 . 3 1 1 A 33 33 LYS HA H 33 3.513 3.851 -0.338 1
1 427 . 3 1 1 A 33 33 LYS C C 33 178.474 179.530 -1.056 1
1 428 . 3 1 1 A 33 33 LYS CA C 33 59.810 59.510 0.300 1
1 429 . 3 1 1 A 33 33 LYS CB C 33 32.000 32.163 -0.163 1
1 433 . 3 1 1 A 33 33 LYS N N 33 119.358 118.201 1.157 1
1 434 . 3 1 1 A 34 34 HIS H H 34 8.187 7.557 0.630 1
1 435 . 3 1 1 A 34 34 HIS HA H 34 4.449 4.588 -0.139 1
1 440 . 3 1 1 A 34 34 HIS C C 34 178.948 178.103 0.845 1
1 441 . 3 1 1 A 34 34 HIS CA C 34 60.883 60.817 0.066 1
1 442 . 3 1 1 A 34 34 HIS CB C 34 28.843 31.563 -2.720 1
1 445 . 3 1 1 A 34 34 HIS N N 34 116.156 118.770 -2.614 1
1 448 . 3 1 1 A 35 35 ILE H H 35 8.676 8.296 0.380 1
1 449 . 3 1 1 A 35 35 ILE HA H 35 3.513 3.580 -0.067 1
1 459 . 3 1 1 A 35 35 ILE C C 35 177.630 178.336 -0.706 1
1 460 . 3 1 1 A 35 35 ILE CA C 35 65.690 65.230 0.460 1
1 461 . 3 1 1 A 35 35 ILE CB C 35 38.481 37.882 0.599 1
1 465 . 3 1 1 A 35 35 ILE N N 35 121.824 120.500 1.324 1
1 466 . 3 1 1 A 36 36 LYS H H 36 8.797 8.237 0.560 1
1 467 . 3 1 1 A 36 36 LYS HA H 36 3.712 3.862 -0.150 1
1 476 . 3 1 1 A 36 36 LYS C C 36 179.397 177.760 1.637 1
1 477 . 3 1 1 A 36 36 LYS CA C 36 59.860 58.963 0.897 1
1 478 . 3 1 1 A 36 36 LYS CB C 36 31.878 31.773 0.105 1
1 482 . 3 1 1 A 36 36 LYS N N 36 121.589 120.639 0.950 1
1 483 . 3 1 1 A 37 37 ASP H H 37 8.246 7.945 0.301 1
1 484 . 3 1 1 A 37 37 ASP HA H 37 4.336 4.378 -0.042 1
1 487 . 3 1 1 A 37 37 ASP C C 37 177.234 178.299 -1.065 1
1 488 . 3 1 1 A 37 37 ASP CA C 37 56.932 57.256 -0.324 1
1 489 . 3 1 1 A 37 37 ASP CB C 37 40.576 41.272 -0.696 1
1 490 . 3 1 1 A 37 37 ASP N N 37 118.225 119.134 -0.909 1
1 491 . 3 1 1 A 38 38 HIS H H 38 7.867 7.803 0.064 1
1 492 . 3 1 1 A 38 38 HIS HA H 38 4.284 4.360 -0.076 1
1 496 . 3 1 1 A 38 38 HIS C C 38 176.839 175.160 1.679 1
1 497 . 3 1 1 A 38 38 HIS CA C 38 59.389 58.237 1.152 1
1 498 . 3 1 1 A 38 38 HIS CB C 38 31.630 31.147 0.483 1
1 500 . 3 1 1 A 38 38 HIS N N 38 115.487 114.963 0.524 1
1 501 . 3 1 1 A 39 39 PHE H H 39 9.082 8.516 0.566 1
1 502 . 3 1 1 A 39 39 PHE HA H 39 4.369 4.876 -0.507 1
1 510 . 3 1 1 A 39 39 PHE C C 39 175.890 174.259 1.631 1
1 511 . 3 1 1 A 39 39 PHE CA C 39 60.159 56.308 3.851 1
1 512 . 3 1 1 A 39 39 PHE CB C 39 38.850 39.272 -0.422 1
1 516 . 3 1 1 A 39 39 PHE N N 39 114.327 116.031 -1.704 1
1 517 . 3 1 1 A 40 40 ARG H H 40 8.104 8.618 -0.514 1
1 518 . 3 1 1 A 40 40 ARG HA H 40 3.921 4.660 -0.739 1
1 525 . 3 1 1 A 40 40 ARG C C 40 176.892 176.197 0.695 1
1 526 . 3 1 1 A 40 40 ARG CA C 40 58.009 55.413 2.596 1
1 527 . 3 1 1 A 40 40 ARG CB C 40 27.531 30.282 -2.751 1
1 530 . 3 1 1 A 40 40 ARG N N 40 118.379 123.983 -5.604 1
1 531 . 3 1 1 A 41 41 HIS H H 41 8.589 8.780 -0.191 1
1 532 . 3 1 1 A 41 41 HIS HA H 41 4.910 4.142 0.768 1
1 536 . 3 1 1 A 41 41 HIS C C 41 174.835 173.850 0.985 1
1 537 . 3 1 1 A 41 41 HIS CA C 41 55.473 57.423 -1.950 1
1 538 . 3 1 1 A 41 41 HIS CB C 41 29.720 27.187 2.533 1
1 540 . 3 1 1 A 41 41 HIS N N 41 123.828 119.414 4.414 1
1 541 . 3 1 1 A 42 42 LYS H H 42 8.326 7.960 0.366 1
1 542 . 3 1 1 A 42 42 LYS HA H 42 4.181 4.441 -0.260 1
1 551 . 3 1 1 A 42 42 LYS C C 42 177.973 176.519 1.454 1
1 552 . 3 1 1 A 42 42 LYS CA C 42 58.201 56.165 2.036 1
1 553 . 3 1 1 A 42 42 LYS CB C 42 33.047 33.373 -0.326 1
1 557 . 3 1 1 A 42 42 LYS N N 42 121.129 120.681 0.448 1
1 558 . 3 1 1 A 43 43 LEU H H 43 9.243 8.622 0.621 1
1 559 . 3 1 1 A 43 43 LEU HA H 43 4.346 4.455 -0.109 1
1 569 . 3 1 1 A 43 43 LEU C C 43 177.840 178.896 -1.056 1
1 570 . 3 1 1 A 43 43 LEU CA C 43 55.420 55.370 0.050 1
1 571 . 3 1 1 A 43 43 LEU CB C 43 40.936 42.097 -1.161 1
1 575 . 3 1 1 A 43 43 LEU N N 43 124.529 127.996 -3.467 1
1 576 . 3 1 1 A 44 44 LEU H H 44 8.404 8.583 -0.179 1
1 577 . 3 1 1 A 44 44 LEU HA H 44 3.681 4.043 -0.362 1
1 587 . 3 1 1 A 44 44 LEU C C 44 177.962 177.673 0.289 1
1 588 . 3 1 1 A 44 44 LEU CA C 44 58.773 57.875 0.898 1
1 589 . 3 1 1 A 44 44 LEU CB C 44 42.661 41.429 1.232 1
1 593 . 3 1 1 A 44 44 LEU N N 44 123.643 122.916 0.727 1
1 594 . 3 1 1 A 45 45 LYS HA H 45 4.126 4.082 0.044 1
1 603 . 3 1 1 A 45 45 LYS C C 45 175.533 177.277 -1.744 1
1 604 . 3 1 1 A 45 45 LYS CA C 45 57.405 58.323 -0.918 1
1 605 . 3 1 1 A 45 45 LYS CB C 45 31.650 31.570 0.080 1
1 609 . 3 1 1 A 46 46 ASP H H 46 7.520 7.666 -0.146 1
1 610 . 3 1 1 A 46 46 ASP HA H 46 4.888 4.689 0.199 1
1 613 . 3 1 1 A 46 46 ASP C C 46 175.811 176.390 -0.579 1
1 614 . 3 1 1 A 46 46 ASP CA C 46 54.268 53.940 0.328 1
1 615 . 3 1 1 A 46 46 ASP CB C 46 42.178 41.271 0.907 1
1 616 . 3 1 1 A 46 46 ASP N N 46 118.587 119.224 -0.637 1
1 617 . 3 1 1 A 47 47 ILE H H 47 6.965 7.269 -0.304 1
1 618 . 3 1 1 A 47 47 ILE HA H 47 4.048 3.894 0.154 1
1 628 . 3 1 1 A 47 47 ILE C C 47 175.362 175.650 -0.288 1
1 629 . 3 1 1 A 47 47 ILE CA C 47 59.826 61.906 -2.080 1
1 630 . 3 1 1 A 47 47 ILE CB C 47 34.389 37.625 -3.236 1
1 634 . 3 1 1 A 47 47 ILE N N 47 119.126 122.107 -2.981 1
1 635 . 3 1 1 A 48 48 LYS H H 48 8.489 8.692 -0.203 1
1 636 . 3 1 1 A 48 48 LYS HA H 48 4.635 4.296 0.339 1
1 645 . 3 1 1 A 48 48 LYS C C 48 177.252 178.248 -0.996 1
1 646 . 3 1 1 A 48 48 LYS CA C 48 54.357 56.560 -2.203 1
1 647 . 3 1 1 A 48 48 LYS CB C 48 34.753 32.817 1.936 1
1 651 . 3 1 1 A 48 48 LYS N N 48 127.892 127.804 0.088 1
1 652 . 3 1 1 A 49 49 ARG H H 49 8.816 8.645 0.171 1
1 653 . 3 1 1 A 49 49 ARG HA H 49 4.314 4.120 0.194 1
1 660 . 3 1 1 A 49 49 ARG C C 49 178.464 177.661 0.803 1
1 661 . 3 1 1 A 49 49 ARG CA C 49 60.341 58.602 1.739 1
1 662 . 3 1 1 A 49 49 ARG CB C 49 30.197 29.942 0.255 1
1 665 . 3 1 1 A 49 49 ARG N N 49 122.736 125.431 -2.695 1
1 666 . 3 1 1 A 50 50 THR H H 50 8.269 8.142 0.127 1
1 667 . 3 1 1 A 50 50 THR HA H 50 4.079 4.103 -0.024 1
1 672 . 3 1 1 A 50 50 THR C C 50 177.316 176.842 0.474 1
1 673 . 3 1 1 A 50 50 THR CA C 50 65.501 65.574 -0.073 1
1 674 . 3 1 1 A 50 50 THR CB C 50 67.951 68.199 -0.248 1
1 676 . 3 1 1 A 50 50 THR N N 50 110.696 112.162 -1.466 1
1 677 . 3 1 1 A 51 51 GLU H H 51 7.260 8.086 -0.826 1
1 678 . 3 1 1 A 51 51 GLU HA H 51 4.239 4.175 0.064 1
1 683 . 3 1 1 A 51 51 GLU C C 51 179.621 178.904 0.717 1
1 684 . 3 1 1 A 51 51 GLU CA C 51 58.921 59.381 -0.460 1
1 685 . 3 1 1 A 51 51 GLU CB C 51 29.916 29.327 0.589 1
1 687 . 3 1 1 A 51 51 GLU N N 51 121.344 122.281 -0.937 1
1 688 . 3 1 1 A 52 52 TYR H H 52 8.678 8.752 -0.074 1
1 689 . 3 1 1 A 52 52 TYR HA H 52 4.376 4.399 -0.023 1
1 697 . 3 1 1 A 52 52 TYR C C 52 176.120 177.781 -1.661 1
1 698 . 3 1 1 A 52 52 TYR CA C 52 62.660 61.620 1.040 1
1 699 . 3 1 1 A 52 52 TYR CB C 52 38.206 38.747 -0.541 1
1 702 . 3 1 1 A 52 52 TYR N N 52 122.483 121.090 1.393 1
1 703 . 3 1 1 A 53 53 GLN H H 53 8.801 8.376 0.425 1
1 704 . 3 1 1 A 53 53 GLN HA H 53 3.721 3.909 -0.188 1
1 711 . 3 1 1 A 53 53 GLN C C 53 177.894 178.644 -0.750 1
1 712 . 3 1 1 A 53 53 GLN CA C 53 58.111 58.869 -0.758 1
1 713 . 3 1 1 A 53 53 GLN CB C 53 28.909 28.245 0.664 1
1 715 . 3 1 1 A 53 53 GLN N N 53 118.817 118.120 0.697 1
1 717 . 3 1 1 A 54 54 LYS H H 54 7.685 8.101 -0.416 1
1 718 . 3 1 1 A 54 54 LYS HA H 54 4.051 4.106 -0.055 1
1 727 . 3 1 1 A 54 54 LYS C C 54 178.918 178.848 0.070 1
1 728 . 3 1 1 A 54 54 LYS CA C 54 59.845 59.161 0.684 1
1 729 . 3 1 1 A 54 54 LYS CB C 54 32.339 32.169 0.170 1
1 733 . 3 1 1 A 54 54 LYS N N 54 118.629 118.371 0.258 1
1 734 . 3 1 1 A 55 55 PHE H H 55 7.533 8.529 -0.996 1
1 735 . 3 1 1 A 55 55 PHE HA H 55 3.660 3.870 -0.210 1
1 743 . 3 1 1 A 55 55 PHE C C 55 176.180 176.986 -0.806 1
1 744 . 3 1 1 A 55 55 PHE CA C 55 59.494 61.072 -1.578 1
1 745 . 3 1 1 A 55 55 PHE CB C 55 38.189 39.051 -0.862 1
1 749 . 3 1 1 A 55 55 PHE N N 55 120.449 120.918 -0.469 1
1 750 . 3 1 1 A 56 56 LEU H H 56 8.019 8.516 -0.497 1
1 751 . 3 1 1 A 56 56 LEU HA H 56 3.254 3.562 -0.308 1
1 761 . 3 1 1 A 56 56 LEU C C 56 179.581 179.066 0.515 1
1 762 . 3 1 1 A 56 56 LEU CA C 56 57.366 57.570 -0.204 1
1 763 . 3 1 1 A 56 56 LEU CB C 56 41.462 41.067 0.395 1
1 767 . 3 1 1 A 56 56 LEU N N 56 120.223 119.830 0.393 1
1 768 . 3 1 1 A 57 57 ASN H H 57 8.427 8.581 -0.154 1
1 769 . 3 1 1 A 57 57 ASN HA H 57 4.324 4.439 -0.115 1
1 774 . 3 1 1 A 57 57 ASN C C 57 178.105 178.432 -0.327 1
1 775 . 3 1 1 A 57 57 ASN CA C 57 55.194 56.501 -1.307 1
1 776 . 3 1 1 A 57 57 ASN CB C 57 36.948 37.944 -0.996 1
1 777 . 3 1 1 A 57 57 ASN N N 57 118.422 118.171 0.251 1
1 779 . 3 1 1 A 58 58 GLU H H 58 7.873 8.441 -0.568 1
1 780 . 3 1 1 A 58 58 GLU HA H 58 4.063 4.037 0.026 1
1 785 . 3 1 1 A 58 58 GLU C C 58 179.660 178.693 0.967 1
1 786 . 3 1 1 A 58 58 GLU CA C 58 59.064 58.980 0.084 1
1 787 . 3 1 1 A 58 58 GLU CB C 58 29.592 29.542 0.050 1
1 789 . 3 1 1 A 58 58 GLU N N 58 121.129 119.907 1.222 1
1 790 . 3 1 1 A 59 59 TYR H H 59 8.638 7.894 0.744 1
1 791 . 3 1 1 A 59 59 TYR HA H 59 3.949 4.042 -0.093 1
1 798 . 3 1 1 A 59 59 TYR C C 59 179.907 178.294 1.613 1
1 799 . 3 1 1 A 59 59 TYR CA C 59 61.870 60.931 0.939 1
1 800 . 3 1 1 A 59 59 TYR CB C 59 38.156 38.099 0.057 1
1 803 . 3 1 1 A 59 59 TYR N N 59 124.461 121.235 3.226 1
1 804 . 3 1 1 A 60 60 GLY H H 60 8.925 8.766 0.159 1
1 805 . 3 1 1 A 60 60 GLY HA2 H 60 3.947 3.965 -0.018 1
1 806 . 3 1 1 A 60 60 GLY HA3 H 60 4.175 3.981 0.194 1
1 807 . 3 1 1 A 60 60 GLY C C 60 173.294 174.811 -1.517 1
1 808 . 3 1 1 A 60 60 GLY CA C 60 46.424 46.187 0.237 1
1 809 . 3 1 1 A 60 60 GLY N N 60 107.578 106.347 1.231 1
1 810 . 3 1 1 A 61 61 LEU H H 61 7.448 7.511 -0.063 1
1 811 . 3 1 1 A 61 61 LEU HA H 61 4.238 4.246 -0.008 1
1 821 . 3 1 1 A 61 61 LEU C C 61 179.159 177.745 1.414 1
1 822 . 3 1 1 A 61 61 LEU CA C 61 57.274 55.604 1.670 1
1 823 . 3 1 1 A 61 61 LEU CB C 61 42.304 42.398 -0.094 1
1 827 . 3 1 1 A 61 61 LEU N N 61 118.202 120.071 -1.869 1
1 828 . 3 1 1 A 62 62 THR H H 62 6.974 7.378 -0.404 1
1 829 . 3 1 1 A 62 62 THR HA H 62 4.385 4.557 -0.172 1
1 834 . 3 1 1 A 62 62 THR C C 62 173.170 173.267 -0.097 1
1 835 . 3 1 1 A 62 62 THR CA C 62 59.813 60.708 -0.895 1
1 836 . 3 1 1 A 62 62 THR CB C 62 69.697 69.986 -0.289 1
1 838 . 3 1 1 A 62 62 THR N N 62 101.223 104.882 -3.659 1
1 839 . 3 1 1 A 63 63 HIS H H 63 7.041 7.430 -0.389 1
1 840 . 3 1 1 A 63 63 HIS HA H 63 4.861 4.990 -0.129 1
1 845 . 3 1 1 A 63 63 HIS C C 63 172.567 173.870 -1.303 1
1 846 . 3 1 1 A 63 63 HIS CA C 63 55.522 54.377 1.145 1
1 847 . 3 1 1 A 63 63 HIS CB C 63 32.328 34.044 -1.716 1
1 850 . 3 1 1 A 63 63 HIS N N 63 116.818 119.471 -2.653 1
1 853 . 3 1 1 A 64 64 SER H H 64 8.717 8.671 0.046 1
1 854 . 3 1 1 A 64 64 SER HA H 64 4.582 4.737 -0.155 1
1 857 . 3 1 1 A 64 64 SER C C 64 174.545 174.869 -0.324 1
1 858 . 3 1 1 A 64 64 SER CA C 64 57.169 56.984 0.185 1
1 859 . 3 1 1 A 64 64 SER CB C 64 65.484 64.780 0.704 1
1 860 . 3 1 1 A 64 64 SER N N 64 116.128 115.737 0.391 1
1 861 . 3 1 1 A 65 65 TYR H H 65 9.054 9.209 -0.155 1
1 862 . 3 1 1 A 65 65 TYR HA H 65 4.059 4.116 -0.057 1
1 869 . 3 1 1 A 65 65 TYR C C 65 176.918 177.467 -0.549 1
1 870 . 3 1 1 A 65 65 TYR CA C 65 61.906 62.494 -0.588 1
1 871 . 3 1 1 A 65 65 TYR CB C 65 38.185 38.532 -0.347 1
1 874 . 3 1 1 A 65 65 TYR N N 65 121.679 126.097 -4.418 1
1 875 . 3 1 1 A 66 66 GLU H H 66 8.965 8.390 0.575 1
1 876 . 3 1 1 A 66 66 GLU HA H 66 3.888 3.810 0.078 1
1 881 . 3 1 1 A 66 66 GLU C C 66 178.764 179.443 -0.679 1
1 882 . 3 1 1 A 66 66 GLU CA C 66 59.329 59.259 0.070 1
1 883 . 3 1 1 A 66 66 GLU CB C 66 28.874 29.311 -0.437 1
1 885 . 3 1 1 A 66 66 GLU N N 66 117.723 117.938 -0.215 1
1 886 . 3 1 1 A 67 67 THR H H 67 7.626 8.100 -0.474 1
1 887 . 3 1 1 A 67 67 THR HA H 67 3.864 4.118 -0.254 1
1 892 . 3 1 1 A 67 67 THR C C 67 176.681 176.378 0.303 1
1 893 . 3 1 1 A 67 67 THR CA C 67 66.368 67.109 -0.741 1
1 894 . 3 1 1 A 67 67 THR CB C 67 68.290 68.148 0.142 1
1 896 . 3 1 1 A 67 67 THR N N 67 116.084 118.401 -2.317 1
1 897 . 3 1 1 A 68 68 ILE H H 68 8.324 8.093 0.231 1
1 898 . 3 1 1 A 68 68 ILE HA H 68 3.686 3.752 -0.066 1
1 908 . 3 1 1 A 68 68 ILE C C 68 176.527 177.403 -0.876 1
1 909 . 3 1 1 A 68 68 ILE CA C 68 65.205 62.853 2.352 1
1 910 . 3 1 1 A 68 68 ILE CB C 68 38.355 37.701 0.654 1
1 914 . 3 1 1 A 68 68 ILE N N 68 123.174 120.589 2.585 1
1 915 . 3 1 1 A 69 69 ARG H H 69 8.407 8.055 0.352 1
1 916 . 3 1 1 A 69 69 ARG HA H 69 3.673 3.630 0.043 1
1 923 . 3 1 1 A 69 69 ARG C C 69 179.687 178.535 1.152 1
1 924 . 3 1 1 A 69 69 ARG CA C 69 59.577 59.158 0.419 1
1 925 . 3 1 1 A 69 69 ARG CB C 69 29.560 29.425 0.135 1
1 928 . 3 1 1 A 69 69 ARG N N 69 121.358 121.558 -0.200 1
1 929 . 3 1 1 A 70 70 LYS H H 70 7.562 7.626 -0.064 1
1 930 . 3 1 1 A 70 70 LYS HA H 70 3.617 3.574 0.043 1
1 939 . 3 1 1 A 70 70 LYS C C 70 177.129 178.108 -0.979 1
1 940 . 3 1 1 A 70 70 LYS CA C 70 59.380 58.580 0.800 1
1 941 . 3 1 1 A 70 70 LYS CB C 70 31.978 31.860 0.118 1
1 945 . 3 1 1 A 70 70 LYS N N 70 120.218 118.209 2.009 1
1 946 . 3 1 1 A 71 71 LEU H H 71 7.640 7.962 -0.322 1
1 947 . 3 1 1 A 71 71 LEU HA H 71 3.629 3.877 -0.248 1
1 957 . 3 1 1 A 71 71 LEU C C 71 178.157 178.219 -0.062 1
1 958 . 3 1 1 A 71 71 LEU CA C 71 58.477 58.317 0.160 1
1 959 . 3 1 1 A 71 71 LEU CB C 71 41.262 41.376 -0.114 1
1 963 . 3 1 1 A 71 71 LEU N N 71 119.991 121.461 -1.470 1
1 964 . 3 1 1 A 72 72 ASN H H 72 8.474 8.334 0.140 1
1 965 . 3 1 1 A 72 72 ASN HA H 72 4.485 4.598 -0.113 1
1 970 . 3 1 1 A 72 72 ASN C C 72 176.285 177.476 -1.191 1
1 971 . 3 1 1 A 72 72 ASN CA C 72 56.424 56.852 -0.428 1
1 972 . 3 1 1 A 72 72 ASN CB C 72 39.544 39.547 -0.003 1
1 973 . 3 1 1 A 72 72 ASN N N 72 114.097 117.458 -3.361 1
1 975 . 3 1 1 A 73 73 SER H H 73 7.878 7.918 -0.040 1
1 976 . 3 1 1 A 73 73 SER HA H 73 4.177 4.211 -0.034 1
1 979 . 3 1 1 A 73 73 SER C C 73 176.734 177.120 -0.386 1
1 980 . 3 1 1 A 73 73 SER CA C 73 61.741 60.934 0.807 1
1 981 . 3 1 1 A 73 73 SER CB C 73 62.573 62.787 -0.214 1
1 982 . 3 1 1 A 73 73 SER N N 73 115.022 113.924 1.098 1
1 983 . 3 1 1 A 74 74 TYR H H 74 8.078 7.338 0.740 1
1 984 . 3 1 1 A 74 74 TYR HA H 74 5.168 4.648 0.520 1
1 991 . 3 1 1 A 74 74 TYR C C 74 178.436 178.572 -0.136 1
1 992 . 3 1 1 A 74 74 TYR CA C 74 58.023 61.536 -3.513 1
1 993 . 3 1 1 A 74 74 TYR CB C 74 37.835 38.371 -0.536 1
1 996 . 3 1 1 A 74 74 TYR N N 74 122.937 119.330 3.607 1
1 997 . 3 1 1 A 75 75 ILE H H 75 8.264 8.580 -0.316 1
1 998 . 3 1 1 A 75 75 ILE HA H 75 3.647 3.948 -0.301 1
1 1008 . 3 1 1 A 75 75 ILE C C 75 177.656 178.029 -0.373 1
1 1009 . 3 1 1 A 75 75 ILE CA C 75 66.349 65.756 0.593 1
1 1010 . 3 1 1 A 75 75 ILE CB C 75 37.494 38.063 -0.569 1
1 1014 . 3 1 1 A 75 75 ILE N N 75 119.080 120.381 -1.301 1
1 1015 . 3 1 1 A 76 76 ARG H H 76 9.316 8.597 0.719 1
1 1016 . 3 1 1 A 76 76 ARG HA H 76 3.896 3.937 -0.041 1
1 1024 . 3 1 1 A 76 76 ARG C C 76 179.033 178.315 0.718 1
1 1025 . 3 1 1 A 76 76 ARG CA C 76 60.536 60.104 0.432 1
1 1026 . 3 1 1 A 76 76 ARG CB C 76 30.238 29.913 0.325 1
1 1029 . 3 1 1 A 76 76 ARG N N 76 121.985 121.087 0.898 1
1 1031 . 3 1 1 A 77 77 ASN H H 77 8.003 8.181 -0.178 1
1 1032 . 3 1 1 A 77 77 ASN HA H 77 4.605 4.576 0.029 1
1 1037 . 3 1 1 A 77 77 ASN C C 77 177.146 177.242 -0.096 1
1 1038 . 3 1 1 A 77 77 ASN CA C 77 55.755 56.657 -0.902 1
1 1039 . 3 1 1 A 77 77 ASN CB C 77 38.857 39.440 -0.583 1
1 1040 . 3 1 1 A 77 77 ASN N N 77 117.750 118.153 -0.403 1
1 1042 . 3 1 1 A 78 78 ALA H H 78 8.082 7.635 0.447 1
1 1043 . 3 1 1 A 78 78 ALA HA H 78 2.351 2.877 -0.526 1
1 1047 . 3 1 1 A 78 78 ALA C C 78 181.084 179.381 1.703 1
1 1048 . 3 1 1 A 78 78 ALA CA C 78 54.703 54.370 0.333 1
1 1049 . 3 1 1 A 78 78 ALA CB C 78 16.121 17.759 -1.638 1
1 1050 . 3 1 1 A 78 78 ALA N N 78 124.770 120.892 3.878 1
1 1051 . 3 1 1 A 79 79 PHE H H 79 8.603 7.677 0.926 1
1 1052 . 3 1 1 A 79 79 PHE HA H 79 3.974 4.276 -0.302 1
1 1060 . 3 1 1 A 79 79 PHE C C 79 177.841 177.906 -0.065 1
1 1061 . 3 1 1 A 79 79 PHE CA C 79 63.302 61.380 1.922 1
1 1062 . 3 1 1 A 79 79 PHE CB C 79 40.594 38.535 2.059 1
1 1066 . 3 1 1 A 79 79 PHE N N 79 116.847 115.760 1.087 1
1 1067 . 3 1 1 A 80 80 ASP H H 80 8.298 8.916 -0.618 1
1 1068 . 3 1 1 A 80 80 ASP HA H 80 4.620 4.414 0.206 1
1 1071 . 3 1 1 A 80 80 ASP C C 80 179.845 178.146 1.699 1
1 1072 . 3 1 1 A 80 80 ASP CA C 80 57.957 57.826 0.131 1
1 1073 . 3 1 1 A 80 80 ASP CB C 80 39.595 41.290 -1.695 1
1 1074 . 3 1 1 A 80 80 ASP N N 80 121.362 120.376 0.986 1
1 1075 . 3 1 1 A 81 81 ASP H H 81 8.051 8.476 -0.425 1
1 1076 . 3 1 1 A 81 81 ASP HA H 81 4.724 4.460 0.264 1
1 1079 . 3 1 1 A 81 81 ASP C C 81 177.963 178.116 -0.153 1
1 1080 . 3 1 1 A 81 81 ASP CA C 81 57.537 57.310 0.227 1
1 1081 . 3 1 1 A 81 81 ASP CB C 81 39.463 41.023 -1.560 1
1 1082 . 3 1 1 A 81 81 ASP N N 81 122.166 119.496 2.670 1
1 1083 . 3 1 1 A 82 82 ALA H H 82 8.025 8.008 0.017 1
1 1084 . 3 1 1 A 82 82 ALA HA H 82 4.106 4.296 -0.190 1
1 1088 . 3 1 1 A 82 82 ALA C C 82 180.223 179.773 0.450 1
1 1089 . 3 1 1 A 82 82 ALA CA C 82 55.194 55.295 -0.101 1
1 1090 . 3 1 1 A 82 82 ALA CB C 82 17.947 18.714 -0.767 1
1 1091 . 3 1 1 A 82 82 ALA N N 82 124.747 121.721 3.026 1
1 1092 . 3 1 1 A 83 83 ILE H H 83 8.327 8.714 -0.387 1
1 1093 . 3 1 1 A 83 83 ILE HA H 83 4.235 3.921 0.314 1
1 1103 . 3 1 1 A 83 83 ILE C C 83 180.768 177.812 2.956 1
1 1104 . 3 1 1 A 83 83 ILE CA C 83 63.966 63.766 0.200 1
1 1105 . 3 1 1 A 83 83 ILE CB C 83 38.254 37.692 0.562 1
1 1109 . 3 1 1 A 83 83 ILE N N 83 120.907 118.583 2.324 1
1 1110 . 3 1 1 A 84 84 HIS H H 84 7.934 8.068 -0.134 1
1 1111 . 3 1 1 A 84 84 HIS HA H 84 4.434 4.188 0.246 1
1 1116 . 3 1 1 A 84 84 HIS C C 84 178.250 176.140 2.110 1
1 1117 . 3 1 1 A 84 84 HIS CA C 84 59.042 59.567 -0.525 1
1 1118 . 3 1 1 A 84 84 HIS CB C 84 28.750 30.178 -1.428 1
1 1121 . 3 1 1 A 84 84 HIS N N 84 121.346 121.286 0.060 1
1 1124 . 3 1 1 A 85 85 GLU H H 85 8.074 7.846 0.228 1
1 1125 . 3 1 1 A 85 85 GLU HA H 85 4.192 4.376 -0.184 1
1 1130 . 3 1 1 A 85 85 GLU C C 85 176.510 177.098 -0.588 1
1 1131 . 3 1 1 A 85 85 GLU CA C 85 56.512 55.872 0.640 1
1 1132 . 3 1 1 A 85 85 GLU CB C 85 30.284 31.601 -1.317 1
1 1134 . 3 1 1 A 85 85 GLU N N 85 115.467 116.344 -0.877 1
1 1135 . 3 1 1 A 86 86 GLY H H 86 7.715 7.839 -0.124 1
1 1136 . 3 1 1 A 86 86 GLY HA2 H 86 3.844 4.012 -0.168 1
1 1137 . 3 1 1 A 86 86 GLY HA3 H 86 4.136 4.016 0.120 1
1 1138 . 3 1 1 A 86 86 GLY C C 86 175.243 174.616 0.627 1
1 1139 . 3 1 1 A 86 86 GLY CA C 86 45.108 45.784 -0.676 1
1 1140 . 3 1 1 A 86 86 GLY N N 86 105.999 108.436 -2.437 1
1 1141 . 3 1 1 A 87 87 TYR H H 87 8.173 8.477 -0.304 1
1 1142 . 3 1 1 A 87 87 TYR HA H 87 4.396 4.285 0.111 1
1 1149 . 3 1 1 A 87 87 TYR CA C 87 59.317 60.627 -1.310 1
1 1150 . 3 1 1 A 87 87 TYR CB C 87 39.558 39.695 -0.137 1
1 1153 . 3 1 1 A 87 87 TYR N N 87 118.412 121.451 -3.039 1
1 1154 . 3 1 1 A 88 88 VAL HA H 88 4.583 4.472 0.111 1
1 1162 . 3 1 1 A 88 88 VAL CB C 88 36.112 35.183 0.929 1
1 1165 . 3 1 1 A 89 89 ILE HA H 89 4.426 4.138 0.288 1
1 1175 . 3 1 1 A 89 89 ILE CA C 89 61.984 62.748 -0.764 1
1 1176 . 3 1 1 A 89 89 ILE CB C 89 39.850 38.991 0.859 1
1 1180 . 3 1 1 A 90 90 LYS H H 90 7.387 7.585 -0.198 1
1 1181 . 3 1 1 A 90 90 LYS HA H 90 4.508 4.620 -0.112 1
1 1190 . 3 1 1 A 90 90 LYS C C 90 174.665 175.378 -0.713 1
1 1191 . 3 1 1 A 90 90 LYS CA C 90 54.111 55.102 -0.991 1
1 1192 . 3 1 1 A 90 90 LYS CB C 90 35.086 35.738 -0.652 1
1 1196 . 3 1 1 A 91 91 ASN H H 91 8.803 8.831 -0.028 1
1 1197 . 3 1 1 A 91 91 ASN HA H 91 4.279 4.768 -0.489 1
1 1202 . 3 1 1 A 91 91 ASN CB C 91 38.879 38.342 0.537 1
1 1203 . 3 1 1 A 91 91 ASN N N 91 120.903 121.746 -0.843 1
1 1205 . 3 1 1 A 92 92 PRO HA H 92 4.206 4.270 -0.064 1
1 1212 . 3 1 1 A 92 92 PRO C C 92 174.751 176.613 -1.862 1
1 1213 . 3 1 1 A 92 92 PRO CA C 92 63.927 63.414 0.513 1
1 1214 . 3 1 1 A 92 92 PRO CB C 92 30.969 31.820 -0.851 1
1 1217 . 3 1 1 A 93 93 THR H H 93 7.441 7.478 -0.037 1
1 1218 . 3 1 1 A 93 93 THR HA H 93 4.093 4.333 -0.240 1
1 1224 . 3 1 1 A 93 93 THR C C 93 175.922 174.714 1.208 1
1 1225 . 3 1 1 A 93 93 THR CA C 93 62.221 62.178 0.043 1
1 1226 . 3 1 1 A 93 93 THR CB C 93 69.463 69.330 0.133 1
1 1228 . 3 1 1 A 93 93 THR N N 93 105.991 109.221 -3.230 1
1 1229 . 3 1 1 A 94 94 TYR H H 94 7.139 7.799 -0.660 1
1 1230 . 3 1 1 A 94 94 TYR HA H 94 4.393 4.355 0.038 1
1 1237 . 3 1 1 A 94 94 TYR C C 94 176.180 176.696 -0.516 1
1 1238 . 3 1 1 A 94 94 TYR CA C 94 58.272 60.028 -1.756 1
1 1239 . 3 1 1 A 94 94 TYR CB C 94 37.490 38.530 -1.040 1
1 1242 . 3 1 1 A 94 94 TYR N N 94 124.098 124.175 -0.077 1
1 1243 . 3 1 1 A 95 95 LYS H H 95 8.904 8.331 0.573 1
1 1244 . 3 1 1 A 95 95 LYS HA H 95 3.758 3.761 -0.003 1
1 1253 . 3 1 1 A 95 95 LYS C C 95 175.547 175.483 0.064 1
1 1254 . 3 1 1 A 95 95 LYS CA C 95 57.078 57.488 -0.410 1
1 1255 . 3 1 1 A 95 95 LYS CB C 95 29.962 32.090 -2.128 1
1 1259 . 3 1 1 A 95 95 LYS N N 95 121.317 126.369 -5.052 1
1 1260 . 3 1 1 A 96 96 ALA H H 96 7.583 7.744 -0.161 1
1 1261 . 3 1 1 A 96 96 ALA HA H 96 4.157 4.444 -0.287 1
1 1265 . 3 1 1 A 96 96 ALA C C 96 177.630 176.423 1.207 1
1 1266 . 3 1 1 A 96 96 ALA CA C 96 53.298 52.814 0.484 1
1 1267 . 3 1 1 A 96 96 ALA CB C 96 18.807 20.197 -1.390 1
1 1268 . 3 1 1 A 96 96 ALA N N 96 121.832 124.041 -2.209 1
1 1269 . 3 1 1 A 97 97 GLU H H 97 9.243 8.695 0.548 1
1 1270 . 3 1 1 A 97 97 GLU HA H 97 4.347 5.097 -0.750 1
1 1275 . 3 1 1 A 97 97 GLU C C 97 175.890 175.247 0.643 1
1 1276 . 3 1 1 A 97 97 GLU CA C 97 55.198 54.685 0.513 1
1 1277 . 3 1 1 A 97 97 GLU CB C 97 30.931 34.250 -3.319 1
1 1279 . 3 1 1 A 97 97 GLU N N 97 121.989 120.194 1.795 1
1 1280 . 3 1 1 A 98 98 LEU H H 98 8.401 8.766 -0.365 1
1 1281 . 3 1 1 A 98 98 LEU HA H 98 4.277 4.739 -0.462 1
1 1291 . 3 1 1 A 98 98 LEU C C 98 175.738 174.964 0.774 1
1 1292 . 3 1 1 A 98 98 LEU CA C 98 54.337 53.621 0.716 1
1 1293 . 3 1 1 A 98 98 LEU CB C 98 41.634 42.515 -0.881 1
1 1297 . 3 1 1 A 98 98 LEU N N 98 123.414 122.295 1.119 1
1 1298 . 3 1 1 A 99 99 HIS H H 99 8.749 8.998 -0.249 1
1 1299 . 3 1 1 A 99 99 HIS HA H 99 4.706 5.074 -0.368 1
1 1304 . 3 1 1 A 99 99 HIS C C 99 173.912 174.487 -0.575 1
1 1305 . 3 1 1 A 99 99 HIS CA C 99 55.183 54.182 1.001 1
1 1306 . 3 1 1 A 99 99 HIS CB C 99 29.916 30.412 -0.496 1
1 1309 . 3 1 1 A 99 99 HIS N N 99 121.129 123.553 -2.424 1
1 1312 . 3 1 1 A 100 100 ALA H H 100 8.369 8.868 -0.499 1
1 1313 . 3 1 1 A 100 100 ALA HA H 100 4.518 4.542 -0.024 1
1 1317 . 3 1 1 A 100 100 ALA C C 100 177.533 178.017 -0.484 1
1 1318 . 3 1 1 A 100 100 ALA CA C 100 51.753 51.385 0.368 1
1 1319 . 3 1 1 A 100 100 ALA CB C 100 20.081 18.104 1.977 1
1 1320 . 3 1 1 A 100 100 ALA N N 100 125.646 129.159 -3.513 1
1 1321 . 3 1 1 A 101 101 SER H H 101 8.357 8.304 0.053 1
1 1322 . 3 1 1 A 101 101 SER HA H 101 4.452 4.325 0.127 1
1 1325 . 3 1 1 A 101 101 SER C C 101 174.729 176.071 -1.342 1
1 1326 . 3 1 1 A 101 101 SER CA C 101 58.781 60.409 -1.628 1
1 1327 . 3 1 1 A 101 101 SER CB C 101 63.865 62.862 1.003 1
1 1328 . 3 1 1 A 101 101 SER N N 101 115.505 119.762 -4.257 1
1 1329 . 3 1 1 A 102 102 VAL H H 102 7.884 7.642 0.242 1
1 1330 . 3 1 1 A 102 102 VAL HA H 102 4.111 3.742 0.369 1
1 1338 . 3 1 1 A 102 102 VAL C C 102 175.837 177.482 -1.645 1
1 1339 . 3 1 1 A 102 102 VAL CA C 102 62.237 66.367 -4.130 1
1 1340 . 3 1 1 A 102 102 VAL CB C 102 32.336 31.959 0.377 1
1 1343 . 3 1 1 A 102 102 VAL N N 102 120.880 120.601 0.279 1
1 1344 . 3 1 1 A 103 103 LEU H H 103 8.170 7.435 0.735 1
1 1345 . 3 1 1 A 103 103 LEU HA H 103 4.299 4.643 -0.344 1
1 1355 . 3 1 1 A 103 103 LEU C C 103 177.129 176.536 0.593 1
1 1356 . 3 1 1 A 103 103 LEU CA C 103 54.999 54.052 0.947 1
1 1357 . 3 1 1 A 103 103 LEU CB C 103 42.276 42.625 -0.349 1
1 1361 . 3 1 1 A 103 103 LEU N N 103 124.757 112.614 12.143 1
1 1362 . 3 1 1 A 104 104 GLU H H 104 8.244 7.494 0.750 1
1 1363 . 3 1 1 A 104 104 GLU HA H 104 4.175 4.479 -0.304 1
1 1368 . 3 1 1 A 104 104 GLU C C 104 176.153 175.590 0.563 1
1 1369 . 3 1 1 A 104 104 GLU CA C 104 56.413 55.776 0.637 1
1 1370 . 3 1 1 A 104 104 GLU CB C 104 30.270 29.418 0.852 1
1 1372 . 3 1 1 A 104 104 GLU N N 104 121.146 121.182 -0.036 1
1 1373 . 3 1 1 A 105 105 HIS H H 105 8.242 8.096 0.146 1
1 1376 . 3 1 1 A 105 105 HIS C C 105 174.967 172.666 2.301 1
1 1377 . 3 1 1 A 105 105 HIS CA C 105 56.137 55.933 0.204 1
1 1378 . 3 1 1 A 105 105 HIS CB C 105 30.290 33.224 -2.934 1
1 13 . 4 1 1 A 2 2 ILE HA H 2 4.615 4.967 -0.352 1
1 23 . 4 1 1 A 2 2 ILE C C 2 175.630 175.777 -0.147 1
1 24 . 4 1 1 A 2 2 ILE CA C 2 60.619 59.146 1.473 1
1 25 . 4 1 1 A 2 2 ILE CB C 2 40.542 41.105 -0.563 1
1 29 . 4 1 1 A 3 3 THR H H 3 9.133 8.582 0.551 1
1 30 . 4 1 1 A 3 3 THR HA H 3 4.656 4.655 0.001 1
1 36 . 4 1 1 A 3 3 THR C C 3 174.729 175.458 -0.729 1
1 37 . 4 1 1 A 3 3 THR CA C 3 61.509 61.190 0.319 1
1 38 . 4 1 1 A 3 3 THR CB C 3 69.896 70.555 -0.659 1
1 40 . 4 1 1 A 3 3 THR N N 3 119.091 117.204 1.887 1
1 41 . 4 1 1 A 4 4 PHE H H 4 8.642 9.656 -1.014 1
1 42 . 4 1 1 A 4 4 PHE HA H 4 4.576 4.052 0.524 1
1 50 . 4 1 1 A 4 4 PHE C C 4 176.302 177.394 -1.092 1
1 51 . 4 1 1 A 4 4 PHE CA C 4 58.368 62.490 -4.122 1
1 52 . 4 1 1 A 4 4 PHE CB C 4 37.526 39.156 -1.630 1
1 56 . 4 1 1 A 4 4 PHE N N 4 122.510 122.989 -0.479 1
1 57 . 4 1 1 A 5 5 ALA H H 5 9.195 8.499 0.696 1
1 58 . 4 1 1 A 5 5 ALA HA H 5 3.692 3.989 -0.297 1
1 62 . 4 1 1 A 5 5 ALA C C 5 178.210 179.244 -1.034 1
1 63 . 4 1 1 A 5 5 ALA CA C 5 56.073 55.383 0.690 1
1 64 . 4 1 1 A 5 5 ALA CB C 5 17.897 18.246 -0.349 1
1 65 . 4 1 1 A 5 5 ALA N N 5 120.106 120.867 -0.761 1
1 66 . 4 1 1 A 6 6 ASP H H 6 7.978 8.267 -0.289 1
1 67 . 4 1 1 A 6 6 ASP HA H 6 4.615 4.562 0.053 1
1 70 . 4 1 1 A 6 6 ASP C C 6 179.370 178.131 1.239 1
1 71 . 4 1 1 A 6 6 ASP CA C 6 57.369 57.512 -0.143 1
1 72 . 4 1 1 A 6 6 ASP CB C 6 39.556 41.118 -1.562 1
1 73 . 4 1 1 A 6 6 ASP N N 6 115.486 118.670 -3.184 1
1 74 . 4 1 1 A 7 7 TYR H H 7 8.776 8.125 0.651 1
1 75 . 4 1 1 A 7 7 TYR HA H 7 3.984 4.310 -0.326 1
1 82 . 4 1 1 A 7 7 TYR C C 7 176.232 177.285 -1.053 1
1 83 . 4 1 1 A 7 7 TYR CA C 7 62.241 61.449 0.792 1
1 84 . 4 1 1 A 7 7 TYR CB C 7 38.521 38.144 0.377 1
1 87 . 4 1 1 A 7 7 TYR N N 7 120.885 120.712 0.173 1
1 88 . 4 1 1 A 8 8 PHE H H 8 9.024 8.402 0.622 1
1 89 . 4 1 1 A 8 8 PHE HA H 8 3.732 4.019 -0.287 1
1 97 . 4 1 1 A 8 8 PHE C C 8 176.261 176.961 -0.700 1
1 98 . 4 1 1 A 8 8 PHE CA C 8 62.936 61.934 1.002 1
1 99 . 4 1 1 A 8 8 PHE CB C 8 39.553 38.773 0.780 1
1 103 . 4 1 1 A 8 8 PHE N N 8 118.754 120.369 -1.615 1
1 104 . 4 1 1 A 9 9 TYR H H 9 8.202 8.283 -0.081 1
1 105 . 4 1 1 A 9 9 TYR HA H 9 3.742 3.991 -0.249 1
1 112 . 4 1 1 A 9 9 TYR C C 9 176.496 177.142 -0.646 1
1 113 . 4 1 1 A 9 9 TYR CA C 9 62.939 61.329 1.610 1
1 114 . 4 1 1 A 9 9 TYR CB C 9 37.941 38.169 -0.228 1
1 117 . 4 1 1 A 9 9 TYR N N 9 117.271 120.418 -3.147 1
1 118 . 4 1 1 A 10 10 GLN H H 10 8.029 8.431 -0.402 1
1 119 . 4 1 1 A 10 10 GLN HA H 10 3.928 3.838 0.090 1
1 126 . 4 1 1 A 10 10 GLN C C 10 177.393 177.672 -0.279 1
1 127 . 4 1 1 A 10 10 GLN CA C 10 58.717 58.686 0.031 1
1 128 . 4 1 1 A 10 10 GLN CB C 10 28.482 28.470 0.012 1
1 130 . 4 1 1 A 10 10 GLN N N 10 117.935 117.691 0.244 1
1 132 . 4 1 1 A 11 11 TRP H H 11 8.772 8.010 0.762 1
1 133 . 4 1 1 A 11 11 TRP HA H 11 3.690 4.131 -0.441 1
1 142 . 4 1 1 A 11 11 TRP C C 11 178.487 177.544 0.943 1
1 143 . 4 1 1 A 11 11 TRP CA C 11 61.256 60.632 0.624 1
1 144 . 4 1 1 A 11 11 TRP CB C 11 27.472 29.160 -1.688 1
1 150 . 4 1 1 A 11 11 TRP N N 11 121.577 121.787 -0.210 1
1 152 . 4 1 1 A 12 12 TYR H H 12 8.168 7.988 0.180 1
1 153 . 4 1 1 A 12 12 TYR HA H 12 2.938 3.367 -0.429 1
1 160 . 4 1 1 A 12 12 TYR C C 12 177.277 177.461 -0.184 1
1 161 . 4 1 1 A 12 12 TYR CA C 12 59.178 60.868 -1.690 1
1 162 . 4 1 1 A 12 12 TYR CB C 12 36.729 38.148 -1.419 1
1 165 . 4 1 1 A 12 12 TYR N N 12 121.811 121.109 0.702 1
1 166 . 4 1 1 A 13 13 GLU H H 13 8.434 7.858 0.576 1
1 167 . 4 1 1 A 13 13 GLU HA H 13 2.996 3.229 -0.233 1
1 172 . 4 1 1 A 13 13 GLU C C 13 177.157 177.336 -0.179 1
1 173 . 4 1 1 A 13 13 GLU CA C 13 59.164 58.344 0.820 1
1 174 . 4 1 1 A 13 13 GLU CB C 13 29.447 29.060 0.387 1
1 176 . 4 1 1 A 13 13 GLU N N 13 123.599 119.657 3.942 1
1 177 . 4 1 1 A 14 14 VAL H H 14 7.605 7.079 0.526 1
1 178 . 4 1 1 A 14 14 VAL HA H 14 3.562 3.731 -0.169 1
1 186 . 4 1 1 A 14 14 VAL C C 14 177.289 176.953 0.336 1
1 187 . 4 1 1 A 14 14 VAL CA C 14 64.338 64.274 0.064 1
1 188 . 4 1 1 A 14 14 VAL CB C 14 32.669 31.905 0.764 1
1 191 . 4 1 1 A 14 14 VAL N N 14 113.566 118.743 -5.177 1
1 192 . 4 1 1 A 15 15 ASN H H 15 7.482 7.214 0.268 1
1 193 . 4 1 1 A 15 15 ASN HA H 15 4.429 4.650 -0.221 1
1 198 . 4 1 1 A 15 15 ASN C C 15 175.201 176.397 -1.196 1
1 199 . 4 1 1 A 15 15 ASN CA C 15 55.218 53.901 1.317 1
1 200 . 4 1 1 A 15 15 ASN CB C 15 39.927 39.627 0.300 1
1 201 . 4 1 1 A 15 15 ASN N N 15 112.195 116.061 -3.866 1
1 203 . 4 1 1 A 16 16 LYS H H 16 7.413 7.669 -0.256 1
1 204 . 4 1 1 A 16 16 LYS HA H 16 4.338 4.341 -0.003 1
1 213 . 4 1 1 A 16 16 LYS C C 16 175.309 177.318 -2.009 1
1 214 . 4 1 1 A 16 16 LYS CA C 16 54.807 55.941 -1.134 1
1 215 . 4 1 1 A 16 16 LYS CB C 16 32.665 33.335 -0.670 1
1 219 . 4 1 1 A 16 16 LYS N N 16 115.814 115.667 0.147 1
1 220 . 4 1 1 A 17 17 LEU H H 17 7.490 7.031 0.459 1
1 221 . 4 1 1 A 17 17 LEU HA H 17 3.603 3.711 -0.108 1
1 231 . 4 1 1 A 17 17 LEU C C 17 173.754 177.687 -3.933 1
1 232 . 4 1 1 A 17 17 LEU CA C 17 59.847 59.630 0.217 1
1 233 . 4 1 1 A 17 17 LEU CB C 17 39.552 39.900 -0.348 1
1 237 . 4 1 1 A 17 17 LEU N N 17 121.586 121.853 -0.267 1
1 238 . 4 1 1 A 18 18 PRO HA H 18 4.107 4.306 -0.199 1
1 245 . 4 1 1 A 18 18 PRO C C 18 176.412 176.306 0.106 1
1 246 . 4 1 1 A 18 18 PRO CA C 18 64.656 63.781 0.875 1
1 247 . 4 1 1 A 18 18 PRO CB C 18 30.980 32.393 -1.413 1
1 250 . 4 1 1 A 19 19 HIS H H 19 7.631 7.670 -0.039 1
1 251 . 4 1 1 A 19 19 HIS HA H 19 4.857 4.560 0.297 1
1 256 . 4 1 1 A 19 19 HIS C C 19 175.822 175.162 0.660 1
1 257 . 4 1 1 A 19 19 HIS CA C 19 55.004 57.114 -2.110 1
1 258 . 4 1 1 A 19 19 HIS CB C 19 32.358 31.470 0.888 1
1 260 . 4 1 1 A 19 19 HIS N N 19 111.190 116.935 -5.745 1
1 263 . 4 1 1 A 20 20 VAL H H 20 7.124 7.676 -0.552 1
1 264 . 4 1 1 A 20 20 VAL HA H 20 4.728 4.182 0.546 1
1 272 . 4 1 1 A 20 20 VAL C C 20 175.497 175.846 -0.349 1
1 273 . 4 1 1 A 20 20 VAL CA C 20 60.134 61.430 -1.296 1
1 274 . 4 1 1 A 20 20 VAL CB C 20 34.199 33.075 1.124 1
1 277 . 4 1 1 A 20 20 VAL N N 20 112.191 116.749 -4.558 1
1 278 . 4 1 1 A 21 21 SER H H 21 8.589 8.909 -0.320 1
1 279 . 4 1 1 A 21 21 SER HA H 21 4.531 4.539 -0.008 1
1 282 . 4 1 1 A 21 21 SER C C 21 174.840 175.767 -0.927 1
1 283 . 4 1 1 A 21 21 SER CA C 21 57.236 58.117 -0.881 1
1 284 . 4 1 1 A 21 21 SER CB C 21 65.251 64.217 1.034 1
1 285 . 4 1 1 A 21 21 SER N N 21 116.825 119.617 -2.792 1
1 286 . 4 1 1 A 22 22 GLU H H 22 8.964 9.178 -0.214 1
1 287 . 4 1 1 A 22 22 GLU HA H 22 3.922 4.196 -0.274 1
1 292 . 4 1 1 A 22 22 GLU C C 22 178.606 178.685 -0.079 1
1 293 . 4 1 1 A 22 22 GLU CA C 22 59.837 59.543 0.294 1
1 294 . 4 1 1 A 22 22 GLU CB C 22 29.239 29.170 0.069 1
1 296 . 4 1 1 A 22 22 GLU N N 22 120.863 124.581 -3.718 1
1 297 . 4 1 1 A 23 23 SER H H 23 8.426 8.353 0.073 1
1 298 . 4 1 1 A 23 23 SER HA H 23 4.151 4.277 -0.126 1
1 301 . 4 1 1 A 23 23 SER C C 23 176.977 177.518 -0.541 1
1 302 . 4 1 1 A 23 23 SER CA C 23 61.220 61.520 -0.300 1
1 303 . 4 1 1 A 23 23 SER CB C 23 62.252 62.175 0.077 1
1 304 . 4 1 1 A 23 23 SER N N 23 112.196 114.304 -2.108 1
1 305 . 4 1 1 A 24 24 THR H H 24 7.749 7.960 -0.211 1
1 306 . 4 1 1 A 24 24 THR HA H 24 4.163 4.240 -0.077 1
1 311 . 4 1 1 A 24 24 THR C C 24 176.523 177.218 -0.695 1
1 312 . 4 1 1 A 24 24 THR CA C 24 66.045 66.540 -0.495 1
1 313 . 4 1 1 A 24 24 THR CB C 24 68.305 68.455 -0.150 1
1 315 . 4 1 1 A 24 24 THR N N 24 120.348 117.613 2.735 1
1 316 . 4 1 1 A 25 25 LYS H H 25 8.605 8.094 0.511 1
1 317 . 4 1 1 A 25 25 LYS HA H 25 4.064 4.300 -0.236 1
1 326 . 4 1 1 A 25 25 LYS C C 25 178.447 179.082 -0.635 1
1 327 . 4 1 1 A 25 25 LYS CA C 25 61.087 60.277 0.810 1
1 328 . 4 1 1 A 25 25 LYS CB C 25 32.717 32.322 0.395 1
1 332 . 4 1 1 A 25 25 LYS N N 25 123.593 120.453 3.140 1
1 333 . 4 1 1 A 26 26 ARG H H 26 7.485 7.716 -0.231 1
1 334 . 4 1 1 A 26 26 ARG HA H 26 4.146 3.965 0.181 1
1 341 . 4 1 1 A 26 26 ARG C C 26 179.845 179.122 0.723 1
1 342 . 4 1 1 A 26 26 ARG CA C 26 58.916 59.262 -0.346 1
1 343 . 4 1 1 A 26 26 ARG CB C 26 30.384 29.942 0.442 1
1 346 . 4 1 1 A 26 26 ARG N N 26 114.116 120.109 -5.993 1
1 347 . 4 1 1 A 27 27 HIS H H 27 7.677 8.097 -0.420 1
1 348 . 4 1 1 A 27 27 HIS HA H 27 4.757 4.377 0.380 1
1 353 . 4 1 1 A 27 27 HIS C C 27 179.743 177.515 2.228 1
1 354 . 4 1 1 A 27 27 HIS CA C 27 58.659 59.032 -0.373 1
1 355 . 4 1 1 A 27 27 HIS CB C 27 30.967 30.170 0.797 1
1 358 . 4 1 1 A 27 27 HIS N N 27 119.389 118.557 0.832 1
1 361 . 4 1 1 A 28 28 TYR H H 28 8.119 8.020 0.099 1
1 362 . 4 1 1 A 28 28 TYR HA H 28 4.009 4.081 -0.072 1
1 369 . 4 1 1 A 28 28 TYR C C 28 178.685 178.359 0.326 1
1 370 . 4 1 1 A 28 28 TYR CA C 28 63.311 62.022 1.289 1
1 371 . 4 1 1 A 28 28 TYR CB C 28 38.879 37.393 1.486 1
1 374 . 4 1 1 A 28 28 TYR N N 28 121.786 117.098 4.688 1
1 375 . 4 1 1 A 29 29 GLU H H 29 8.631 8.465 0.166 1
1 376 . 4 1 1 A 29 29 GLU HA H 29 4.067 4.113 -0.046 1
1 381 . 4 1 1 A 29 29 GLU C C 29 179.950 178.743 1.207 1
1 382 . 4 1 1 A 29 29 GLU CA C 29 59.827 60.079 -0.252 1
1 383 . 4 1 1 A 29 29 GLU CB C 29 29.172 29.492 -0.320 1
1 385 . 4 1 1 A 29 29 GLU N N 29 119.090 120.216 -1.126 1
1 386 . 4 1 1 A 30 30 SER H H 30 8.307 8.379 -0.072 1
1 387 . 4 1 1 A 30 30 SER HA H 30 4.467 4.191 0.276 1
1 390 . 4 1 1 A 30 30 SER C C 30 177.445 176.547 0.898 1
1 391 . 4 1 1 A 30 30 SER CA C 30 61.068 62.000 -0.932 1
1 392 . 4 1 1 A 30 30 SER CB C 30 63.054 62.873 0.181 1
1 393 . 4 1 1 A 30 30 SER N N 30 115.027 116.400 -1.373 1
1 394 . 4 1 1 A 31 31 ALA H H 31 8.319 7.978 0.341 1
1 395 . 4 1 1 A 31 31 ALA HA H 31 4.070 4.192 -0.122 1
1 399 . 4 1 1 A 31 31 ALA C C 31 178.488 179.259 -0.771 1
1 400 . 4 1 1 A 31 31 ALA CA C 31 55.926 55.007 0.919 1
1 401 . 4 1 1 A 31 31 ALA CB C 31 18.510 18.672 -0.162 1
1 402 . 4 1 1 A 31 31 ALA N N 31 124.966 123.781 1.185 1
1 403 . 4 1 1 A 32 32 TYR H H 32 8.537 8.875 -0.338 1
1 404 . 4 1 1 A 32 32 TYR HA H 32 4.114 4.192 -0.078 1
1 411 . 4 1 1 A 32 32 TYR C C 32 175.705 178.164 -2.459 1
1 412 . 4 1 1 A 32 32 TYR CA C 32 60.480 62.206 -1.726 1
1 413 . 4 1 1 A 32 32 TYR CB C 32 37.864 39.317 -1.453 1
1 416 . 4 1 1 A 32 32 TYR N N 32 116.814 120.070 -3.256 1
1 417 . 4 1 1 A 33 33 LYS H H 33 7.988 8.607 -0.619 1
1 418 . 4 1 1 A 33 33 LYS HA H 33 3.513 3.836 -0.323 1
1 427 . 4 1 1 A 33 33 LYS C C 33 178.474 178.675 -0.201 1
1 428 . 4 1 1 A 33 33 LYS CA C 33 59.810 58.974 0.836 1
1 429 . 4 1 1 A 33 33 LYS CB C 33 32.000 31.999 0.001 1
1 433 . 4 1 1 A 33 33 LYS N N 33 119.358 118.486 0.872 1
1 434 . 4 1 1 A 34 34 HIS H H 34 8.187 7.617 0.570 1
1 435 . 4 1 1 A 34 34 HIS HA H 34 4.449 4.524 -0.075 1
1 440 . 4 1 1 A 34 34 HIS C C 34 178.948 177.949 0.999 1
1 441 . 4 1 1 A 34 34 HIS CA C 34 60.883 60.306 0.577 1
1 442 . 4 1 1 A 34 34 HIS CB C 34 28.843 31.147 -2.304 1
1 445 . 4 1 1 A 34 34 HIS N N 34 116.156 118.418 -2.262 1
1 448 . 4 1 1 A 35 35 ILE H H 35 8.676 8.307 0.369 1
1 449 . 4 1 1 A 35 35 ILE HA H 35 3.513 3.299 0.214 1
1 459 . 4 1 1 A 35 35 ILE C C 35 177.630 178.257 -0.627 1
1 460 . 4 1 1 A 35 35 ILE CA C 35 65.690 65.299 0.391 1
1 461 . 4 1 1 A 35 35 ILE CB C 35 38.481 37.580 0.901 1
1 465 . 4 1 1 A 35 35 ILE N N 35 121.824 120.446 1.378 1
1 466 . 4 1 1 A 36 36 LYS H H 36 8.797 8.212 0.585 1
1 467 . 4 1 1 A 36 36 LYS HA H 36 3.712 3.947 -0.235 1
1 476 . 4 1 1 A 36 36 LYS C C 36 179.397 177.807 1.590 1
1 477 . 4 1 1 A 36 36 LYS CA C 36 59.860 58.931 0.929 1
1 478 . 4 1 1 A 36 36 LYS CB C 36 31.878 31.831 0.047 1
1 482 . 4 1 1 A 36 36 LYS N N 36 121.589 120.577 1.012 1
1 483 . 4 1 1 A 37 37 ASP H H 37 8.246 7.869 0.377 1
1 484 . 4 1 1 A 37 37 ASP HA H 37 4.336 4.384 -0.048 1
1 487 . 4 1 1 A 37 37 ASP C C 37 177.234 178.025 -0.791 1
1 488 . 4 1 1 A 37 37 ASP CA C 37 56.932 57.218 -0.286 1
1 489 . 4 1 1 A 37 37 ASP CB C 37 40.576 41.214 -0.638 1
1 490 . 4 1 1 A 37 37 ASP N N 37 118.225 119.541 -1.316 1
1 491 . 4 1 1 A 38 38 HIS H H 38 7.867 7.652 0.215 1
1 492 . 4 1 1 A 38 38 HIS HA H 38 4.284 4.352 -0.068 1
1 496 . 4 1 1 A 38 38 HIS C C 38 176.839 175.781 1.058 1
1 497 . 4 1 1 A 38 38 HIS CA C 38 59.389 59.135 0.254 1
1 498 . 4 1 1 A 38 38 HIS CB C 38 31.630 30.538 1.092 1
1 500 . 4 1 1 A 38 38 HIS N N 38 115.487 115.770 -0.283 1
1 501 . 4 1 1 A 39 39 PHE H H 39 9.082 8.375 0.707 1
1 502 . 4 1 1 A 39 39 PHE HA H 39 4.369 4.616 -0.247 1
1 510 . 4 1 1 A 39 39 PHE C C 39 175.890 174.858 1.032 1
1 511 . 4 1 1 A 39 39 PHE CA C 39 60.159 56.200 3.959 1
1 512 . 4 1 1 A 39 39 PHE CB C 39 38.850 36.802 2.048 1
1 516 . 4 1 1 A 39 39 PHE N N 39 114.327 116.047 -1.720 1
1 517 . 4 1 1 A 40 40 ARG H H 40 8.104 7.824 0.280 1
1 518 . 4 1 1 A 40 40 ARG HA H 40 3.921 4.194 -0.273 1
1 525 . 4 1 1 A 40 40 ARG C C 40 176.892 176.502 0.390 1
1 526 . 4 1 1 A 40 40 ARG CA C 40 58.009 56.641 1.368 1
1 527 . 4 1 1 A 40 40 ARG CB C 40 27.531 29.948 -2.417 1
1 530 . 4 1 1 A 40 40 ARG N N 40 118.379 122.237 -3.858 1
1 531 . 4 1 1 A 41 41 HIS H H 41 8.589 8.742 -0.153 1
1 532 . 4 1 1 A 41 41 HIS HA H 41 4.910 4.100 0.810 1
1 536 . 4 1 1 A 41 41 HIS C C 41 174.835 174.036 0.799 1
1 537 . 4 1 1 A 41 41 HIS CA C 41 55.473 57.245 -1.772 1
1 538 . 4 1 1 A 41 41 HIS CB C 41 29.720 26.733 2.987 1
1 540 . 4 1 1 A 41 41 HIS N N 41 123.828 119.007 4.821 1
1 541 . 4 1 1 A 42 42 LYS H H 42 8.326 7.631 0.695 1
1 542 . 4 1 1 A 42 42 LYS HA H 42 4.181 4.504 -0.323 1
1 551 . 4 1 1 A 42 42 LYS C C 42 177.973 176.495 1.478 1
1 552 . 4 1 1 A 42 42 LYS CA C 42 58.201 55.791 2.410 1
1 553 . 4 1 1 A 42 42 LYS CB C 42 33.047 33.987 -0.940 1
1 557 . 4 1 1 A 42 42 LYS N N 42 121.129 119.241 1.888 1
1 558 . 4 1 1 A 43 43 LEU H H 43 9.243 8.705 0.538 1
1 559 . 4 1 1 A 43 43 LEU HA H 43 4.346 4.520 -0.174 1
1 569 . 4 1 1 A 43 43 LEU C C 43 177.840 178.335 -0.495 1
1 570 . 4 1 1 A 43 43 LEU CA C 43 55.420 54.598 0.822 1
1 571 . 4 1 1 A 43 43 LEU CB C 43 40.936 42.125 -1.189 1
1 575 . 4 1 1 A 43 43 LEU N N 43 124.529 127.432 -2.903 1
1 576 . 4 1 1 A 44 44 LEU H H 44 8.404 8.534 -0.130 1
1 577 . 4 1 1 A 44 44 LEU HA H 44 3.681 3.869 -0.188 1
1 587 . 4 1 1 A 44 44 LEU C C 44 177.962 177.430 0.532 1
1 588 . 4 1 1 A 44 44 LEU CA C 44 58.773 57.767 1.006 1
1 589 . 4 1 1 A 44 44 LEU CB C 44 42.661 41.349 1.312 1
1 593 . 4 1 1 A 44 44 LEU N N 44 123.643 123.269 0.374 1
1 594 . 4 1 1 A 45 45 LYS HA H 45 4.126 4.109 0.017 1
1 603 . 4 1 1 A 45 45 LYS C C 45 175.533 177.393 -1.860 1
1 604 . 4 1 1 A 45 45 LYS CA C 45 57.405 58.017 -0.612 1
1 605 . 4 1 1 A 45 45 LYS CB C 45 31.650 32.713 -1.063 1
1 609 . 4 1 1 A 46 46 ASP H H 46 7.520 7.797 -0.277 1
1 610 . 4 1 1 A 46 46 ASP HA H 46 4.888 4.649 0.239 1
1 613 . 4 1 1 A 46 46 ASP C C 46 175.811 176.284 -0.473 1
1 614 . 4 1 1 A 46 46 ASP CA C 46 54.268 54.553 -0.285 1
1 615 . 4 1 1 A 46 46 ASP CB C 46 42.178 41.205 0.973 1
1 616 . 4 1 1 A 46 46 ASP N N 46 118.587 119.241 -0.654 1
1 617 . 4 1 1 A 47 47 ILE H H 47 6.965 7.208 -0.243 1
1 618 . 4 1 1 A 47 47 ILE HA H 47 4.048 3.808 0.240 1
1 628 . 4 1 1 A 47 47 ILE C C 47 175.362 175.607 -0.245 1
1 629 . 4 1 1 A 47 47 ILE CA C 47 59.826 61.136 -1.310 1
1 630 . 4 1 1 A 47 47 ILE CB C 47 34.389 36.763 -2.374 1
1 634 . 4 1 1 A 47 47 ILE N N 47 119.126 121.937 -2.811 1
1 635 . 4 1 1 A 48 48 LYS H H 48 8.489 8.217 0.272 1
1 636 . 4 1 1 A 48 48 LYS HA H 48 4.635 4.065 0.570 1
1 645 . 4 1 1 A 48 48 LYS C C 48 177.252 177.882 -0.630 1
1 646 . 4 1 1 A 48 48 LYS CA C 48 54.357 57.082 -2.725 1
1 647 . 4 1 1 A 48 48 LYS CB C 48 34.753 33.355 1.398 1
1 651 . 4 1 1 A 48 48 LYS N N 48 127.892 128.039 -0.147 1
1 652 . 4 1 1 A 49 49 ARG H H 49 8.816 8.607 0.209 1
1 653 . 4 1 1 A 49 49 ARG HA H 49 4.314 3.987 0.327 1
1 660 . 4 1 1 A 49 49 ARG C C 49 178.464 178.291 0.173 1
1 661 . 4 1 1 A 49 49 ARG CA C 49 60.341 60.056 0.285 1
1 662 . 4 1 1 A 49 49 ARG CB C 49 30.197 29.900 0.297 1
1 665 . 4 1 1 A 49 49 ARG N N 49 122.736 125.544 -2.808 1
1 666 . 4 1 1 A 50 50 THR H H 50 8.269 8.154 0.115 1
1 667 . 4 1 1 A 50 50 THR HA H 50 4.079 4.003 0.076 1
1 672 . 4 1 1 A 50 50 THR C C 50 177.316 176.395 0.921 1
1 673 . 4 1 1 A 50 50 THR CA C 50 65.501 66.909 -1.408 1
1 674 . 4 1 1 A 50 50 THR CB C 50 67.951 68.165 -0.214 1
1 676 . 4 1 1 A 50 50 THR N N 50 110.696 118.917 -8.221 1
1 677 . 4 1 1 A 51 51 GLU H H 51 7.260 7.999 -0.739 1
1 678 . 4 1 1 A 51 51 GLU HA H 51 4.239 4.149 0.090 1
1 683 . 4 1 1 A 51 51 GLU C C 51 179.621 178.864 0.757 1
1 684 . 4 1 1 A 51 51 GLU CA C 51 58.921 59.357 -0.436 1
1 685 . 4 1 1 A 51 51 GLU CB C 51 29.916 29.287 0.629 1
1 687 . 4 1 1 A 51 51 GLU N N 51 121.344 121.553 -0.209 1
1 688 . 4 1 1 A 52 52 TYR H H 52 8.678 8.777 -0.099 1
1 689 . 4 1 1 A 52 52 TYR HA H 52 4.376 4.454 -0.078 1
1 697 . 4 1 1 A 52 52 TYR C C 52 176.120 177.701 -1.581 1
1 698 . 4 1 1 A 52 52 TYR CA C 52 62.660 61.836 0.824 1
1 699 . 4 1 1 A 52 52 TYR CB C 52 38.206 38.399 -0.193 1
1 702 . 4 1 1 A 52 52 TYR N N 52 122.483 121.114 1.369 1
1 703 . 4 1 1 A 53 53 GLN H H 53 8.801 8.272 0.529 1
1 704 . 4 1 1 A 53 53 GLN HA H 53 3.721 3.958 -0.237 1
1 711 . 4 1 1 A 53 53 GLN C C 53 177.894 177.983 -0.089 1
1 712 . 4 1 1 A 53 53 GLN CA C 53 58.111 58.982 -0.871 1
1 713 . 4 1 1 A 53 53 GLN CB C 53 28.909 28.445 0.464 1
1 715 . 4 1 1 A 53 53 GLN N N 53 118.817 118.319 0.498 1
1 717 . 4 1 1 A 54 54 LYS H H 54 7.685 7.997 -0.312 1
1 718 . 4 1 1 A 54 54 LYS HA H 54 4.051 4.110 -0.059 1
1 727 . 4 1 1 A 54 54 LYS C C 54 178.918 178.952 -0.034 1
1 728 . 4 1 1 A 54 54 LYS CA C 54 59.845 58.959 0.886 1
1 729 . 4 1 1 A 54 54 LYS CB C 54 32.339 32.377 -0.038 1
1 733 . 4 1 1 A 54 54 LYS N N 54 118.629 118.281 0.348 1
1 734 . 4 1 1 A 55 55 PHE H H 55 7.533 8.015 -0.482 1
1 735 . 4 1 1 A 55 55 PHE HA H 55 3.660 3.965 -0.305 1
1 743 . 4 1 1 A 55 55 PHE C C 55 176.180 176.951 -0.771 1
1 744 . 4 1 1 A 55 55 PHE CA C 55 59.494 61.065 -1.571 1
1 745 . 4 1 1 A 55 55 PHE CB C 55 38.189 38.974 -0.785 1
1 749 . 4 1 1 A 55 55 PHE N N 55 120.449 120.563 -0.114 1
1 750 . 4 1 1 A 56 56 LEU H H 56 8.019 8.518 -0.499 1
1 751 . 4 1 1 A 56 56 LEU HA H 56 3.254 3.525 -0.271 1
1 761 . 4 1 1 A 56 56 LEU C C 56 179.581 178.711 0.870 1
1 762 . 4 1 1 A 56 56 LEU CA C 56 57.366 57.500 -0.134 1
1 763 . 4 1 1 A 56 56 LEU CB C 56 41.462 40.904 0.558 1
1 767 . 4 1 1 A 56 56 LEU N N 56 120.223 119.551 0.672 1
1 768 . 4 1 1 A 57 57 ASN H H 57 8.427 8.725 -0.298 1
1 769 . 4 1 1 A 57 57 ASN HA H 57 4.324 4.316 0.008 1
1 774 . 4 1 1 A 57 57 ASN C C 57 178.105 178.059 0.046 1
1 775 . 4 1 1 A 57 57 ASN CA C 57 55.194 56.690 -1.496 1
1 776 . 4 1 1 A 57 57 ASN CB C 57 36.948 39.791 -2.843 1
1 777 . 4 1 1 A 57 57 ASN N N 57 118.422 117.943 0.479 1
1 779 . 4 1 1 A 58 58 GLU H H 58 7.873 8.092 -0.219 1
1 780 . 4 1 1 A 58 58 GLU HA H 58 4.063 4.095 -0.032 1
1 785 . 4 1 1 A 58 58 GLU C C 58 179.660 178.621 1.039 1
1 786 . 4 1 1 A 58 58 GLU CA C 58 59.064 59.257 -0.193 1
1 787 . 4 1 1 A 58 58 GLU CB C 58 29.592 29.423 0.169 1
1 789 . 4 1 1 A 58 58 GLU N N 58 121.129 119.244 1.885 1
1 790 . 4 1 1 A 59 59 TYR H H 59 8.638 7.718 0.920 1
1 791 . 4 1 1 A 59 59 TYR HA H 59 3.949 4.018 -0.069 1
1 798 . 4 1 1 A 59 59 TYR C C 59 179.907 178.154 1.753 1
1 799 . 4 1 1 A 59 59 TYR CA C 59 61.870 61.107 0.763 1
1 800 . 4 1 1 A 59 59 TYR CB C 59 38.156 38.188 -0.032 1
1 803 . 4 1 1 A 59 59 TYR N N 59 124.461 120.559 3.902 1
1 804 . 4 1 1 A 60 60 GLY H H 60 8.925 8.720 0.205 1
1 805 . 4 1 1 A 60 60 GLY HA2 H 60 3.947 3.865 0.082 1
1 806 . 4 1 1 A 60 60 GLY HA3 H 60 4.175 3.879 0.296 1
1 807 . 4 1 1 A 60 60 GLY C C 60 173.294 174.972 -1.678 1
1 808 . 4 1 1 A 60 60 GLY CA C 60 46.424 46.230 0.194 1
1 809 . 4 1 1 A 60 60 GLY N N 60 107.578 106.189 1.389 1
1 810 . 4 1 1 A 61 61 LEU H H 61 7.448 7.449 -0.001 1
1 811 . 4 1 1 A 61 61 LEU HA H 61 4.238 4.226 0.012 1
1 821 . 4 1 1 A 61 61 LEU C C 61 179.159 177.743 1.416 1
1 822 . 4 1 1 A 61 61 LEU CA C 61 57.274 55.806 1.468 1
1 823 . 4 1 1 A 61 61 LEU CB C 61 42.304 42.144 0.160 1
1 827 . 4 1 1 A 61 61 LEU N N 61 118.202 120.625 -2.423 1
1 828 . 4 1 1 A 62 62 THR H H 62 6.974 7.221 -0.247 1
1 829 . 4 1 1 A 62 62 THR HA H 62 4.385 4.509 -0.124 1
1 834 . 4 1 1 A 62 62 THR C C 62 173.170 173.172 -0.002 1
1 835 . 4 1 1 A 62 62 THR CA C 62 59.813 60.938 -1.125 1
1 836 . 4 1 1 A 62 62 THR CB C 62 69.697 70.070 -0.373 1
1 838 . 4 1 1 A 62 62 THR N N 62 101.223 104.992 -3.769 1
1 839 . 4 1 1 A 63 63 HIS H H 63 7.041 7.393 -0.352 1
1 840 . 4 1 1 A 63 63 HIS HA H 63 4.861 4.913 -0.052 1
1 845 . 4 1 1 A 63 63 HIS C C 63 172.567 174.849 -2.282 1
1 846 . 4 1 1 A 63 63 HIS CA C 63 55.522 54.375 1.147 1
1 847 . 4 1 1 A 63 63 HIS CB C 63 32.328 33.714 -1.386 1
1 850 . 4 1 1 A 63 63 HIS N N 63 116.818 119.547 -2.729 1
1 853 . 4 1 1 A 64 64 SER H H 64 8.717 8.819 -0.102 1
1 854 . 4 1 1 A 64 64 SER HA H 64 4.582 4.683 -0.101 1
1 857 . 4 1 1 A 64 64 SER C C 64 174.545 174.975 -0.430 1
1 858 . 4 1 1 A 64 64 SER CA C 64 57.169 57.032 0.137 1
1 859 . 4 1 1 A 64 64 SER CB C 64 65.484 65.278 0.206 1
1 860 . 4 1 1 A 64 64 SER N N 64 116.128 114.249 1.879 1
1 861 . 4 1 1 A 65 65 TYR H H 65 9.054 9.209 -0.155 1
1 862 . 4 1 1 A 65 65 TYR HA H 65 4.059 4.115 -0.056 1
1 869 . 4 1 1 A 65 65 TYR C C 65 176.918 177.361 -0.443 1
1 870 . 4 1 1 A 65 65 TYR CA C 65 61.906 62.604 -0.698 1
1 871 . 4 1 1 A 65 65 TYR CB C 65 38.185 38.966 -0.781 1
1 874 . 4 1 1 A 65 65 TYR N N 65 121.679 122.589 -0.910 1
1 875 . 4 1 1 A 66 66 GLU H H 66 8.965 8.463 0.502 1
1 876 . 4 1 1 A 66 66 GLU HA H 66 3.888 3.783 0.105 1
1 881 . 4 1 1 A 66 66 GLU C C 66 178.764 179.298 -0.534 1
1 882 . 4 1 1 A 66 66 GLU CA C 66 59.329 59.377 -0.048 1
1 883 . 4 1 1 A 66 66 GLU CB C 66 28.874 29.209 -0.335 1
1 885 . 4 1 1 A 66 66 GLU N N 66 117.723 118.193 -0.470 1
1 886 . 4 1 1 A 67 67 THR H H 67 7.626 8.092 -0.466 1
1 887 . 4 1 1 A 67 67 THR HA H 67 3.864 4.146 -0.282 1
1 892 . 4 1 1 A 67 67 THR C C 67 176.681 176.445 0.236 1
1 893 . 4 1 1 A 67 67 THR CA C 67 66.368 67.277 -0.909 1
1 894 . 4 1 1 A 67 67 THR CB C 67 68.290 68.416 -0.126 1
1 896 . 4 1 1 A 67 67 THR N N 67 116.084 118.151 -2.067 1
1 897 . 4 1 1 A 68 68 ILE H H 68 8.324 7.916 0.408 1
1 898 . 4 1 1 A 68 68 ILE HA H 68 3.686 3.787 -0.101 1
1 908 . 4 1 1 A 68 68 ILE C C 68 176.527 177.350 -0.823 1
1 909 . 4 1 1 A 68 68 ILE CA C 68 65.205 62.764 2.441 1
1 910 . 4 1 1 A 68 68 ILE CB C 68 38.355 37.680 0.675 1
1 914 . 4 1 1 A 68 68 ILE N N 68 123.174 120.577 2.597 1
1 915 . 4 1 1 A 69 69 ARG H H 69 8.407 8.157 0.250 1
1 916 . 4 1 1 A 69 69 ARG HA H 69 3.673 3.698 -0.025 1
1 923 . 4 1 1 A 69 69 ARG C C 69 179.687 178.619 1.068 1
1 924 . 4 1 1 A 69 69 ARG CA C 69 59.577 59.665 -0.088 1
1 925 . 4 1 1 A 69 69 ARG CB C 69 29.560 29.595 -0.035 1
1 928 . 4 1 1 A 69 69 ARG N N 69 121.358 121.610 -0.252 1
1 929 . 4 1 1 A 70 70 LYS H H 70 7.562 8.026 -0.464 1
1 930 . 4 1 1 A 70 70 LYS HA H 70 3.617 3.684 -0.067 1
1 939 . 4 1 1 A 70 70 LYS C C 70 177.129 178.152 -1.023 1
1 940 . 4 1 1 A 70 70 LYS CA C 70 59.380 58.836 0.544 1
1 941 . 4 1 1 A 70 70 LYS CB C 70 31.978 32.293 -0.315 1
1 945 . 4 1 1 A 70 70 LYS N N 70 120.218 117.976 2.242 1
1 946 . 4 1 1 A 71 71 LEU H H 71 7.640 8.107 -0.467 1
1 947 . 4 1 1 A 71 71 LEU HA H 71 3.629 3.923 -0.294 1
1 957 . 4 1 1 A 71 71 LEU C C 71 178.157 178.306 -0.149 1
1 958 . 4 1 1 A 71 71 LEU CA C 71 58.477 58.214 0.263 1
1 959 . 4 1 1 A 71 71 LEU CB C 71 41.262 41.429 -0.167 1
1 963 . 4 1 1 A 71 71 LEU N N 71 119.991 121.633 -1.642 1
1 964 . 4 1 1 A 72 72 ASN H H 72 8.474 8.464 0.010 1
1 965 . 4 1 1 A 72 72 ASN HA H 72 4.485 4.616 -0.131 1
1 970 . 4 1 1 A 72 72 ASN C C 72 176.285 177.645 -1.360 1
1 971 . 4 1 1 A 72 72 ASN CA C 72 56.424 56.467 -0.043 1
1 972 . 4 1 1 A 72 72 ASN CB C 72 39.544 39.395 0.149 1
1 973 . 4 1 1 A 72 72 ASN N N 72 114.097 117.607 -3.510 1
1 975 . 4 1 1 A 73 73 SER H H 73 7.878 7.942 -0.064 1
1 976 . 4 1 1 A 73 73 SER HA H 73 4.177 4.176 0.001 1
1 979 . 4 1 1 A 73 73 SER C C 73 176.734 177.077 -0.343 1
1 980 . 4 1 1 A 73 73 SER CA C 73 61.741 61.220 0.521 1
1 981 . 4 1 1 A 73 73 SER CB C 73 62.573 62.997 -0.424 1
1 982 . 4 1 1 A 73 73 SER N N 73 115.022 114.125 0.897 1
1 983 . 4 1 1 A 74 74 TYR H H 74 8.078 7.710 0.368 1
1 984 . 4 1 1 A 74 74 TYR HA H 74 5.168 4.610 0.558 1
1 991 . 4 1 1 A 74 74 TYR C C 74 178.436 178.357 0.079 1
1 992 . 4 1 1 A 74 74 TYR CA C 74 58.023 61.283 -3.260 1
1 993 . 4 1 1 A 74 74 TYR CB C 74 37.835 38.218 -0.383 1
1 996 . 4 1 1 A 74 74 TYR N N 74 122.937 118.654 4.283 1
1 997 . 4 1 1 A 75 75 ILE H H 75 8.264 8.493 -0.229 1
1 998 . 4 1 1 A 75 75 ILE HA H 75 3.647 3.816 -0.169 1
1 1008 . 4 1 1 A 75 75 ILE C C 75 177.656 177.962 -0.306 1
1 1009 . 4 1 1 A 75 75 ILE CA C 75 66.349 65.893 0.456 1
1 1010 . 4 1 1 A 75 75 ILE CB C 75 37.494 38.126 -0.632 1
1 1014 . 4 1 1 A 75 75 ILE N N 75 119.080 120.314 -1.234 1
1 1015 . 4 1 1 A 76 76 ARG H H 76 9.316 8.626 0.690 1
1 1016 . 4 1 1 A 76 76 ARG HA H 76 3.896 4.065 -0.169 1
1 1024 . 4 1 1 A 76 76 ARG C C 76 179.033 179.332 -0.299 1
1 1025 . 4 1 1 A 76 76 ARG CA C 76 60.536 59.879 0.657 1
1 1026 . 4 1 1 A 76 76 ARG CB C 76 30.238 30.291 -0.053 1
1 1029 . 4 1 1 A 76 76 ARG N N 76 121.985 120.448 1.537 1
1 1031 . 4 1 1 A 77 77 ASN H H 77 8.003 8.329 -0.326 1
1 1032 . 4 1 1 A 77 77 ASN HA H 77 4.605 4.786 -0.181 1
1 1037 . 4 1 1 A 77 77 ASN C C 77 177.146 177.290 -0.144 1
1 1038 . 4 1 1 A 77 77 ASN CA C 77 55.755 56.789 -1.034 1
1 1039 . 4 1 1 A 77 77 ASN CB C 77 38.857 39.449 -0.592 1
1 1040 . 4 1 1 A 77 77 ASN N N 77 117.750 117.727 0.023 1
1 1042 . 4 1 1 A 78 78 ALA H H 78 8.082 7.793 0.289 1
1 1043 . 4 1 1 A 78 78 ALA HA H 78 2.351 2.970 -0.619 1
1 1047 . 4 1 1 A 78 78 ALA C C 78 181.084 179.335 1.749 1
1 1048 . 4 1 1 A 78 78 ALA CA C 78 54.703 54.304 0.399 1
1 1049 . 4 1 1 A 78 78 ALA CB C 78 16.121 17.599 -1.478 1
1 1050 . 4 1 1 A 78 78 ALA N N 78 124.770 120.947 3.823 1
1 1051 . 4 1 1 A 79 79 PHE H H 79 8.603 7.633 0.970 1
1 1052 . 4 1 1 A 79 79 PHE HA H 79 3.974 4.180 -0.206 1
1 1060 . 4 1 1 A 79 79 PHE C C 79 177.841 177.986 -0.145 1
1 1061 . 4 1 1 A 79 79 PHE CA C 79 63.302 61.249 2.053 1
1 1062 . 4 1 1 A 79 79 PHE CB C 79 40.594 38.206 2.388 1
1 1066 . 4 1 1 A 79 79 PHE N N 79 116.847 115.862 0.985 1
1 1067 . 4 1 1 A 80 80 ASP H H 80 8.298 8.333 -0.035 1
1 1068 . 4 1 1 A 80 80 ASP HA H 80 4.620 4.121 0.499 1
1 1071 . 4 1 1 A 80 80 ASP C C 80 179.845 178.621 1.224 1
1 1072 . 4 1 1 A 80 80 ASP CA C 80 57.957 57.192 0.765 1
1 1073 . 4 1 1 A 80 80 ASP CB C 80 39.595 39.943 -0.348 1
1 1074 . 4 1 1 A 80 80 ASP N N 80 121.362 118.784 2.578 1
1 1075 . 4 1 1 A 81 81 ASP H H 81 8.051 7.673 0.378 1
1 1076 . 4 1 1 A 81 81 ASP HA H 81 4.724 4.499 0.225 1
1 1079 . 4 1 1 A 81 81 ASP C C 81 177.963 178.447 -0.484 1
1 1080 . 4 1 1 A 81 81 ASP CA C 81 57.537 57.337 0.200 1
1 1081 . 4 1 1 A 81 81 ASP CB C 81 39.463 40.603 -1.140 1
1 1082 . 4 1 1 A 81 81 ASP N N 81 122.166 119.766 2.400 1
1 1083 . 4 1 1 A 82 82 ALA H H 82 8.025 7.636 0.389 1
1 1084 . 4 1 1 A 82 82 ALA HA H 82 4.106 4.256 -0.150 1
1 1088 . 4 1 1 A 82 82 ALA C C 82 180.223 179.755 0.468 1
1 1089 . 4 1 1 A 82 82 ALA CA C 82 55.194 55.165 0.029 1
1 1090 . 4 1 1 A 82 82 ALA CB C 82 17.947 18.232 -0.285 1
1 1091 . 4 1 1 A 82 82 ALA N N 82 124.747 123.234 1.513 1
1 1092 . 4 1 1 A 83 83 ILE H H 83 8.327 8.611 -0.284 1
1 1093 . 4 1 1 A 83 83 ILE HA H 83 4.235 3.983 0.252 1
1 1103 . 4 1 1 A 83 83 ILE C C 83 180.768 178.052 2.716 1
1 1104 . 4 1 1 A 83 83 ILE CA C 83 63.966 63.399 0.567 1
1 1105 . 4 1 1 A 83 83 ILE CB C 83 38.254 37.796 0.458 1
1 1109 . 4 1 1 A 83 83 ILE N N 83 120.907 118.860 2.047 1
1 1110 . 4 1 1 A 84 84 HIS H H 84 7.934 7.720 0.214 1
1 1111 . 4 1 1 A 84 84 HIS HA H 84 4.434 4.413 0.021 1
1 1116 . 4 1 1 A 84 84 HIS C C 84 178.250 177.254 0.996 1
1 1117 . 4 1 1 A 84 84 HIS CA C 84 59.042 58.541 0.501 1
1 1118 . 4 1 1 A 84 84 HIS CB C 84 28.750 29.671 -0.921 1
1 1121 . 4 1 1 A 84 84 HIS N N 84 121.346 121.170 0.176 1
1 1124 . 4 1 1 A 85 85 GLU H H 85 8.074 7.834 0.240 1
1 1125 . 4 1 1 A 85 85 GLU HA H 85 4.192 4.388 -0.196 1
1 1130 . 4 1 1 A 85 85 GLU C C 85 176.510 176.775 -0.265 1
1 1131 . 4 1 1 A 85 85 GLU CA C 85 56.512 57.276 -0.764 1
1 1132 . 4 1 1 A 85 85 GLU CB C 85 30.284 31.128 -0.844 1
1 1134 . 4 1 1 A 85 85 GLU N N 85 115.467 119.084 -3.617 1
1 1135 . 4 1 1 A 86 86 GLY H H 86 7.715 8.084 -0.369 1
1 1136 . 4 1 1 A 86 86 GLY HA2 H 86 3.844 4.023 -0.179 1
1 1137 . 4 1 1 A 86 86 GLY HA3 H 86 4.136 4.043 0.093 1
1 1138 . 4 1 1 A 86 86 GLY C C 86 175.243 174.917 0.326 1
1 1139 . 4 1 1 A 86 86 GLY CA C 86 45.108 45.354 -0.246 1
1 1140 . 4 1 1 A 86 86 GLY N N 86 105.999 107.778 -1.779 1
1 1141 . 4 1 1 A 87 87 TYR H H 87 8.173 8.293 -0.120 1
1 1142 . 4 1 1 A 87 87 TYR HA H 87 4.396 4.239 0.157 1
1 1149 . 4 1 1 A 87 87 TYR CA C 87 59.317 61.011 -1.694 1
1 1150 . 4 1 1 A 87 87 TYR CB C 87 39.558 39.808 -0.250 1
1 1153 . 4 1 1 A 87 87 TYR N N 87 118.412 121.716 -3.304 1
1 1154 . 4 1 1 A 88 88 VAL HA H 88 4.583 4.484 0.099 1
1 1162 . 4 1 1 A 88 88 VAL CB C 88 36.112 33.583 2.529 1
1 1165 . 4 1 1 A 89 89 ILE HA H 89 4.426 4.099 0.327 1
1 1175 . 4 1 1 A 89 89 ILE CA C 89 61.984 62.978 -0.994 1
1 1176 . 4 1 1 A 89 89 ILE CB C 89 39.850 38.538 1.312 1
1 1180 . 4 1 1 A 90 90 LYS H H 90 7.387 7.830 -0.443 1
1 1181 . 4 1 1 A 90 90 LYS HA H 90 4.508 4.442 0.066 1
1 1190 . 4 1 1 A 90 90 LYS C C 90 174.665 175.282 -0.617 1
1 1191 . 4 1 1 A 90 90 LYS CA C 90 54.111 54.709 -0.598 1
1 1192 . 4 1 1 A 90 90 LYS CB C 90 35.086 33.653 1.433 1
1 1196 . 4 1 1 A 91 91 ASN H H 91 8.803 8.775 0.028 1
1 1197 . 4 1 1 A 91 91 ASN HA H 91 4.279 4.196 0.083 1
1 1202 . 4 1 1 A 91 91 ASN CB C 91 38.879 37.459 1.420 1
1 1203 . 4 1 1 A 91 91 ASN N N 91 120.903 123.863 -2.960 1
1 1205 . 4 1 1 A 92 92 PRO HA H 92 4.206 4.146 0.060 1
1 1212 . 4 1 1 A 92 92 PRO C C 92 174.751 177.020 -2.269 1
1 1213 . 4 1 1 A 92 92 PRO CA C 92 63.927 63.782 0.145 1
1 1214 . 4 1 1 A 92 92 PRO CB C 92 30.969 31.294 -0.325 1
1 1217 . 4 1 1 A 93 93 THR H H 93 7.441 7.497 -0.056 1
1 1218 . 4 1 1 A 93 93 THR HA H 93 4.093 4.313 -0.220 1
1 1224 . 4 1 1 A 93 93 THR C C 93 175.922 174.421 1.501 1
1 1225 . 4 1 1 A 93 93 THR CA C 93 62.221 61.361 0.860 1
1 1226 . 4 1 1 A 93 93 THR CB C 93 69.463 68.009 1.454 1
1 1228 . 4 1 1 A 93 93 THR N N 93 105.991 109.139 -3.148 1
1 1229 . 4 1 1 A 94 94 TYR H H 94 7.139 8.845 -1.706 1
1 1230 . 4 1 1 A 94 94 TYR HA H 94 4.393 4.405 -0.012 1
1 1237 . 4 1 1 A 94 94 TYR C C 94 176.180 175.966 0.214 1
1 1238 . 4 1 1 A 94 94 TYR CA C 94 58.272 60.702 -2.430 1
1 1239 . 4 1 1 A 94 94 TYR CB C 94 37.490 39.327 -1.837 1
1 1242 . 4 1 1 A 94 94 TYR N N 94 124.098 125.042 -0.944 1
1 1243 . 4 1 1 A 95 95 LYS H H 95 8.904 7.943 0.961 1
1 1244 . 4 1 1 A 95 95 LYS HA H 95 3.758 4.515 -0.757 1
1 1253 . 4 1 1 A 95 95 LYS C C 95 175.547 174.706 0.841 1
1 1254 . 4 1 1 A 95 95 LYS CA C 95 57.078 55.680 1.398 1
1 1255 . 4 1 1 A 95 95 LYS CB C 95 29.962 32.827 -2.865 1
1 1259 . 4 1 1 A 95 95 LYS N N 95 121.317 115.724 5.593 1
1 1260 . 4 1 1 A 96 96 ALA H H 96 7.583 8.640 -1.057 1
1 1261 . 4 1 1 A 96 96 ALA HA H 96 4.157 4.650 -0.493 1
1 1265 . 4 1 1 A 96 96 ALA C C 96 177.630 176.035 1.595 1
1 1266 . 4 1 1 A 96 96 ALA CA C 96 53.298 51.424 1.874 1
1 1267 . 4 1 1 A 96 96 ALA CB C 96 18.807 19.313 -0.506 1
1 1268 . 4 1 1 A 96 96 ALA N N 96 121.832 128.562 -6.730 1
1 1269 . 4 1 1 A 97 97 GLU H H 97 9.243 9.042 0.201 1
1 1270 . 4 1 1 A 97 97 GLU HA H 97 4.347 4.764 -0.417 1
1 1275 . 4 1 1 A 97 97 GLU C C 97 175.890 175.907 -0.017 1
1 1276 . 4 1 1 A 97 97 GLU CA C 97 55.198 55.577 -0.379 1
1 1277 . 4 1 1 A 97 97 GLU CB C 97 30.931 30.327 0.604 1
1 1279 . 4 1 1 A 97 97 GLU N N 97 121.989 123.977 -1.988 1
1 1280 . 4 1 1 A 98 98 LEU H H 98 8.401 8.973 -0.572 1
1 1281 . 4 1 1 A 98 98 LEU HA H 98 4.277 4.505 -0.228 1
1 1291 . 4 1 1 A 98 98 LEU C C 98 175.738 176.382 -0.644 1
1 1292 . 4 1 1 A 98 98 LEU CA C 98 54.337 54.509 -0.172 1
1 1293 . 4 1 1 A 98 98 LEU CB C 98 41.634 40.874 0.760 1
1 1297 . 4 1 1 A 98 98 LEU N N 98 123.414 127.528 -4.114 1
1 1298 . 4 1 1 A 99 99 HIS H H 99 8.749 8.063 0.686 1
1 1299 . 4 1 1 A 99 99 HIS HA H 99 4.706 4.845 -0.139 1
1 1304 . 4 1 1 A 99 99 HIS C C 99 173.912 173.680 0.232 1
1 1305 . 4 1 1 A 99 99 HIS CA C 99 55.183 54.129 1.054 1
1 1306 . 4 1 1 A 99 99 HIS CB C 99 29.916 29.020 0.896 1
1 1309 . 4 1 1 A 99 99 HIS N N 99 121.129 121.882 -0.753 1
1 1312 . 4 1 1 A 100 100 ALA H H 100 8.369 8.401 -0.032 1
1 1313 . 4 1 1 A 100 100 ALA HA H 100 4.518 4.335 0.183 1
1 1317 . 4 1 1 A 100 100 ALA C C 100 177.533 178.076 -0.543 1
1 1318 . 4 1 1 A 100 100 ALA CA C 100 51.753 52.128 -0.375 1
1 1319 . 4 1 1 A 100 100 ALA CB C 100 20.081 18.981 1.100 1
1 1320 . 4 1 1 A 100 100 ALA N N 100 125.646 130.735 -5.089 1
1 1321 . 4 1 1 A 101 101 SER H H 101 8.357 8.885 -0.528 1
1 1322 . 4 1 1 A 101 101 SER HA H 101 4.452 4.646 -0.194 1
1 1325 . 4 1 1 A 101 101 SER C C 101 174.729 175.179 -0.450 1
1 1326 . 4 1 1 A 101 101 SER CA C 101 58.781 59.773 -0.992 1
1 1327 . 4 1 1 A 101 101 SER CB C 101 63.865 63.014 0.851 1
1 1328 . 4 1 1 A 101 101 SER N N 101 115.505 120.607 -5.102 1
1 1329 . 4 1 1 A 102 102 VAL H H 102 7.884 7.563 0.321 1
1 1330 . 4 1 1 A 102 102 VAL HA H 102 4.111 3.671 0.440 1
1 1338 . 4 1 1 A 102 102 VAL C C 102 175.837 176.439 -0.602 1
1 1339 . 4 1 1 A 102 102 VAL CA C 102 62.237 66.102 -3.865 1
1 1340 . 4 1 1 A 102 102 VAL CB C 102 32.336 31.524 0.812 1
1 1343 . 4 1 1 A 102 102 VAL N N 102 120.880 121.621 -0.741 1
1 1344 . 4 1 1 A 103 103 LEU H H 103 8.170 7.316 0.854 1
1 1345 . 4 1 1 A 103 103 LEU HA H 103 4.299 4.279 0.020 1
1 1355 . 4 1 1 A 103 103 LEU C C 103 177.129 176.259 0.870 1
1 1356 . 4 1 1 A 103 103 LEU CA C 103 54.999 54.171 0.828 1
1 1357 . 4 1 1 A 103 103 LEU CB C 103 42.276 41.570 0.706 1
1 1361 . 4 1 1 A 103 103 LEU N N 103 124.757 119.202 5.555 1
1 1362 . 4 1 1 A 104 104 GLU H H 104 8.244 7.516 0.728 1
1 1363 . 4 1 1 A 104 104 GLU HA H 104 4.175 4.800 -0.625 1
1 1368 . 4 1 1 A 104 104 GLU C C 104 176.153 175.565 0.588 1
1 1369 . 4 1 1 A 104 104 GLU CA C 104 56.413 54.983 1.430 1
1 1370 . 4 1 1 A 104 104 GLU CB C 104 30.270 31.893 -1.623 1
1 1372 . 4 1 1 A 104 104 GLU N N 104 121.146 116.882 4.264 1
1 1373 . 4 1 1 A 105 105 HIS H H 105 8.242 8.859 -0.617 1
1 1376 . 4 1 1 A 105 105 HIS C C 105 174.967 174.092 0.875 1
1 1377 . 4 1 1 A 105 105 HIS CA C 105 56.137 54.162 1.975 1
1 1378 . 4 1 1 A 105 105 HIS CB C 105 30.290 33.959 -3.669 1
1 13 . 5 1 1 A 2 2 ILE HA H 2 4.615 5.040 -0.425 1
1 23 . 5 1 1 A 2 2 ILE C C 2 175.630 174.378 1.252 1
1 24 . 5 1 1 A 2 2 ILE CA C 2 60.619 59.156 1.463 1
1 25 . 5 1 1 A 2 2 ILE CB C 2 40.542 42.233 -1.691 1
1 29 . 5 1 1 A 3 3 THR H H 3 9.133 8.664 0.469 1
1 30 . 5 1 1 A 3 3 THR HA H 3 4.656 4.728 -0.072 1
1 36 . 5 1 1 A 3 3 THR C C 3 174.729 175.686 -0.957 1
1 37 . 5 1 1 A 3 3 THR CA C 3 61.509 61.047 0.462 1
1 38 . 5 1 1 A 3 3 THR CB C 3 69.896 70.641 -0.745 1
1 40 . 5 1 1 A 3 3 THR N N 3 119.091 117.133 1.958 1
1 41 . 5 1 1 A 4 4 PHE H H 4 8.642 9.772 -1.130 1
1 42 . 5 1 1 A 4 4 PHE HA H 4 4.576 4.153 0.423 1
1 50 . 5 1 1 A 4 4 PHE C C 4 176.302 177.461 -1.159 1
1 51 . 5 1 1 A 4 4 PHE CA C 4 58.368 62.693 -4.325 1
1 52 . 5 1 1 A 4 4 PHE CB C 4 37.526 39.432 -1.906 1
1 56 . 5 1 1 A 4 4 PHE N N 4 122.510 122.900 -0.390 1
1 57 . 5 1 1 A 5 5 ALA H H 5 9.195 8.449 0.746 1
1 58 . 5 1 1 A 5 5 ALA HA H 5 3.692 3.972 -0.280 1
1 62 . 5 1 1 A 5 5 ALA C C 5 178.210 179.471 -1.261 1
1 63 . 5 1 1 A 5 5 ALA CA C 5 56.073 55.227 0.846 1
1 64 . 5 1 1 A 5 5 ALA CB C 5 17.897 18.107 -0.210 1
1 65 . 5 1 1 A 5 5 ALA N N 5 120.106 121.611 -1.505 1
1 66 . 5 1 1 A 6 6 ASP H H 6 7.978 7.900 0.078 1
1 67 . 5 1 1 A 6 6 ASP HA H 6 4.615 4.585 0.030 1
1 70 . 5 1 1 A 6 6 ASP C C 6 179.370 178.147 1.223 1
1 71 . 5 1 1 A 6 6 ASP CA C 6 57.369 57.546 -0.177 1
1 72 . 5 1 1 A 6 6 ASP CB C 6 39.556 41.090 -1.534 1
1 73 . 5 1 1 A 6 6 ASP N N 6 115.486 118.695 -3.209 1
1 74 . 5 1 1 A 7 7 TYR H H 7 8.776 8.252 0.524 1
1 75 . 5 1 1 A 7 7 TYR HA H 7 3.984 4.363 -0.379 1
1 82 . 5 1 1 A 7 7 TYR C C 7 176.232 177.605 -1.373 1
1 83 . 5 1 1 A 7 7 TYR CA C 7 62.241 61.541 0.700 1
1 84 . 5 1 1 A 7 7 TYR CB C 7 38.521 38.503 0.018 1
1 87 . 5 1 1 A 7 7 TYR N N 7 120.885 120.887 -0.002 1
1 88 . 5 1 1 A 8 8 PHE H H 8 9.024 8.435 0.589 1
1 89 . 5 1 1 A 8 8 PHE HA H 8 3.732 4.091 -0.359 1
1 97 . 5 1 1 A 8 8 PHE C C 8 176.261 176.905 -0.644 1
1 98 . 5 1 1 A 8 8 PHE CA C 8 62.936 61.968 0.968 1
1 99 . 5 1 1 A 8 8 PHE CB C 8 39.553 38.737 0.816 1
1 103 . 5 1 1 A 8 8 PHE N N 8 118.754 121.302 -2.548 1
1 104 . 5 1 1 A 9 9 TYR H H 9 8.202 8.172 0.030 1
1 105 . 5 1 1 A 9 9 TYR HA H 9 3.742 4.045 -0.303 1
1 112 . 5 1 1 A 9 9 TYR C C 9 176.496 177.158 -0.662 1
1 113 . 5 1 1 A 9 9 TYR CA C 9 62.939 61.245 1.694 1
1 114 . 5 1 1 A 9 9 TYR CB C 9 37.941 38.136 -0.195 1
1 117 . 5 1 1 A 9 9 TYR N N 9 117.271 120.209 -2.938 1
1 118 . 5 1 1 A 10 10 GLN H H 10 8.029 8.510 -0.481 1
1 119 . 5 1 1 A 10 10 GLN HA H 10 3.928 3.958 -0.030 1
1 126 . 5 1 1 A 10 10 GLN C C 10 177.393 177.688 -0.295 1
1 127 . 5 1 1 A 10 10 GLN CA C 10 58.717 58.696 0.021 1
1 128 . 5 1 1 A 10 10 GLN CB C 10 28.482 28.568 -0.086 1
1 130 . 5 1 1 A 10 10 GLN N N 10 117.935 117.726 0.209 1
1 132 . 5 1 1 A 11 11 TRP H H 11 8.772 8.352 0.420 1
1 133 . 5 1 1 A 11 11 TRP HA H 11 3.690 4.128 -0.438 1
1 142 . 5 1 1 A 11 11 TRP C C 11 178.487 177.552 0.935 1
1 143 . 5 1 1 A 11 11 TRP CA C 11 61.256 60.522 0.734 1
1 144 . 5 1 1 A 11 11 TRP CB C 11 27.472 29.365 -1.893 1
1 150 . 5 1 1 A 11 11 TRP N N 11 121.577 121.704 -0.127 1
1 152 . 5 1 1 A 12 12 TYR H H 12 8.168 7.959 0.209 1
1 153 . 5 1 1 A 12 12 TYR HA H 12 2.938 3.310 -0.372 1
1 160 . 5 1 1 A 12 12 TYR C C 12 177.277 177.189 0.088 1
1 161 . 5 1 1 A 12 12 TYR CA C 12 59.178 60.877 -1.699 1
1 162 . 5 1 1 A 12 12 TYR CB C 12 36.729 37.994 -1.265 1
1 165 . 5 1 1 A 12 12 TYR N N 12 121.811 121.287 0.524 1
1 166 . 5 1 1 A 13 13 GLU H H 13 8.434 8.119 0.315 1
1 167 . 5 1 1 A 13 13 GLU HA H 13 2.996 3.445 -0.449 1
1 172 . 5 1 1 A 13 13 GLU C C 13 177.157 178.172 -1.015 1
1 173 . 5 1 1 A 13 13 GLU CA C 13 59.164 58.712 0.452 1
1 174 . 5 1 1 A 13 13 GLU CB C 13 29.447 29.261 0.186 1
1 176 . 5 1 1 A 13 13 GLU N N 13 123.599 118.877 4.722 1
1 177 . 5 1 1 A 14 14 VAL H H 14 7.605 6.883 0.722 1
1 178 . 5 1 1 A 14 14 VAL HA H 14 3.562 3.604 -0.042 1
1 186 . 5 1 1 A 14 14 VAL C C 14 177.289 176.970 0.319 1
1 187 . 5 1 1 A 14 14 VAL CA C 14 64.338 65.160 -0.822 1
1 188 . 5 1 1 A 14 14 VAL CB C 14 32.669 31.582 1.087 1
1 191 . 5 1 1 A 14 14 VAL N N 14 113.566 119.222 -5.656 1
1 192 . 5 1 1 A 15 15 ASN H H 15 7.482 7.492 -0.010 1
1 193 . 5 1 1 A 15 15 ASN HA H 15 4.429 4.578 -0.149 1
1 198 . 5 1 1 A 15 15 ASN C C 15 175.201 176.749 -1.548 1
1 199 . 5 1 1 A 15 15 ASN CA C 15 55.218 54.409 0.809 1
1 200 . 5 1 1 A 15 15 ASN CB C 15 39.927 39.067 0.860 1
1 201 . 5 1 1 A 15 15 ASN N N 15 112.195 117.543 -5.348 1
1 203 . 5 1 1 A 16 16 LYS H H 16 7.413 7.305 0.108 1
1 204 . 5 1 1 A 16 16 LYS HA H 16 4.338 4.304 0.034 1
1 213 . 5 1 1 A 16 16 LYS C C 16 175.309 177.349 -2.040 1
1 214 . 5 1 1 A 16 16 LYS CA C 16 54.807 55.787 -0.980 1
1 215 . 5 1 1 A 16 16 LYS CB C 16 32.665 33.090 -0.425 1
1 219 . 5 1 1 A 16 16 LYS N N 16 115.814 116.351 -0.537 1
1 220 . 5 1 1 A 17 17 LEU H H 17 7.490 7.001 0.489 1
1 221 . 5 1 1 A 17 17 LEU HA H 17 3.603 3.409 0.194 1
1 231 . 5 1 1 A 17 17 LEU C C 17 173.754 177.604 -3.850 1
1 232 . 5 1 1 A 17 17 LEU CA C 17 59.847 59.531 0.316 1
1 233 . 5 1 1 A 17 17 LEU CB C 17 39.552 39.629 -0.077 1
1 237 . 5 1 1 A 17 17 LEU N N 17 121.586 121.255 0.331 1
1 238 . 5 1 1 A 18 18 PRO HA H 18 4.107 4.242 -0.135 1
1 245 . 5 1 1 A 18 18 PRO C C 18 176.412 176.489 -0.077 1
1 246 . 5 1 1 A 18 18 PRO CA C 18 64.656 63.781 0.875 1
1 247 . 5 1 1 A 18 18 PRO CB C 18 30.980 32.033 -1.053 1
1 250 . 5 1 1 A 19 19 HIS H H 19 7.631 7.652 -0.021 1
1 251 . 5 1 1 A 19 19 HIS HA H 19 4.857 4.685 0.172 1
1 256 . 5 1 1 A 19 19 HIS C C 19 175.822 175.317 0.505 1
1 257 . 5 1 1 A 19 19 HIS CA C 19 55.004 56.087 -1.083 1
1 258 . 5 1 1 A 19 19 HIS CB C 19 32.358 31.779 0.579 1
1 260 . 5 1 1 A 19 19 HIS N N 19 111.190 117.306 -6.116 1
1 263 . 5 1 1 A 20 20 VAL H H 20 7.124 7.115 0.009 1
1 264 . 5 1 1 A 20 20 VAL HA H 20 4.728 4.470 0.258 1
1 272 . 5 1 1 A 20 20 VAL C C 20 175.497 175.820 -0.323 1
1 273 . 5 1 1 A 20 20 VAL CA C 20 60.134 60.178 -0.044 1
1 274 . 5 1 1 A 20 20 VAL CB C 20 34.199 34.074 0.125 1
1 277 . 5 1 1 A 20 20 VAL N N 20 112.191 114.601 -2.410 1
1 278 . 5 1 1 A 21 21 SER H H 21 8.589 8.366 0.223 1
1 279 . 5 1 1 A 21 21 SER HA H 21 4.531 4.803 -0.272 1
1 282 . 5 1 1 A 21 21 SER C C 21 174.840 175.839 -0.999 1
1 283 . 5 1 1 A 21 21 SER CA C 21 57.236 56.749 0.487 1
1 284 . 5 1 1 A 21 21 SER CB C 21 65.251 65.854 -0.603 1
1 285 . 5 1 1 A 21 21 SER N N 21 116.825 116.501 0.324 1
1 286 . 5 1 1 A 22 22 GLU H H 22 8.964 9.153 -0.189 1
1 287 . 5 1 1 A 22 22 GLU HA H 22 3.922 4.126 -0.204 1
1 292 . 5 1 1 A 22 22 GLU C C 22 178.606 178.888 -0.282 1
1 293 . 5 1 1 A 22 22 GLU CA C 22 59.837 60.009 -0.172 1
1 294 . 5 1 1 A 22 22 GLU CB C 22 29.239 29.171 0.068 1
1 296 . 5 1 1 A 22 22 GLU N N 22 120.863 121.900 -1.037 1
1 297 . 5 1 1 A 23 23 SER H H 23 8.426 8.152 0.274 1
1 298 . 5 1 1 A 23 23 SER HA H 23 4.151 4.236 -0.085 1
1 301 . 5 1 1 A 23 23 SER C C 23 176.977 177.184 -0.207 1
1 302 . 5 1 1 A 23 23 SER CA C 23 61.220 62.591 -1.371 1
1 303 . 5 1 1 A 23 23 SER CB C 23 62.252 63.218 -0.966 1
1 304 . 5 1 1 A 23 23 SER N N 23 112.196 117.352 -5.156 1
1 305 . 5 1 1 A 24 24 THR H H 24 7.749 8.131 -0.382 1
1 306 . 5 1 1 A 24 24 THR HA H 24 4.163 4.340 -0.177 1
1 311 . 5 1 1 A 24 24 THR C C 24 176.523 177.155 -0.632 1
1 312 . 5 1 1 A 24 24 THR CA C 24 66.045 66.886 -0.841 1
1 313 . 5 1 1 A 24 24 THR CB C 24 68.305 68.413 -0.108 1
1 315 . 5 1 1 A 24 24 THR N N 24 120.348 118.218 2.130 1
1 316 . 5 1 1 A 25 25 LYS H H 25 8.605 8.309 0.296 1
1 317 . 5 1 1 A 25 25 LYS HA H 25 4.064 4.156 -0.092 1
1 326 . 5 1 1 A 25 25 LYS C C 25 178.447 179.951 -1.504 1
1 327 . 5 1 1 A 25 25 LYS CA C 25 61.087 60.288 0.799 1
1 328 . 5 1 1 A 25 25 LYS CB C 25 32.717 32.431 0.286 1
1 332 . 5 1 1 A 25 25 LYS N N 25 123.593 120.519 3.074 1
1 333 . 5 1 1 A 26 26 ARG H H 26 7.485 7.877 -0.392 1
1 334 . 5 1 1 A 26 26 ARG HA H 26 4.146 4.106 0.040 1
1 341 . 5 1 1 A 26 26 ARG C C 26 179.845 179.186 0.659 1
1 342 . 5 1 1 A 26 26 ARG CA C 26 58.916 59.798 -0.882 1
1 343 . 5 1 1 A 26 26 ARG CB C 26 30.384 29.652 0.732 1
1 346 . 5 1 1 A 26 26 ARG N N 26 114.116 119.389 -5.273 1
1 347 . 5 1 1 A 27 27 HIS H H 27 7.677 7.971 -0.294 1
1 348 . 5 1 1 A 27 27 HIS HA H 27 4.757 4.437 0.320 1
1 353 . 5 1 1 A 27 27 HIS C C 27 179.743 177.495 2.248 1
1 354 . 5 1 1 A 27 27 HIS CA C 27 58.659 59.244 -0.585 1
1 355 . 5 1 1 A 27 27 HIS CB C 27 30.967 30.234 0.733 1
1 358 . 5 1 1 A 27 27 HIS N N 27 119.389 118.874 0.515 1
1 361 . 5 1 1 A 28 28 TYR H H 28 8.119 8.237 -0.118 1
1 362 . 5 1 1 A 28 28 TYR HA H 28 4.009 4.091 -0.082 1
1 369 . 5 1 1 A 28 28 TYR C C 28 178.685 178.316 0.369 1
1 370 . 5 1 1 A 28 28 TYR CA C 28 63.311 61.888 1.423 1
1 371 . 5 1 1 A 28 28 TYR CB C 28 38.879 37.321 1.558 1
1 374 . 5 1 1 A 28 28 TYR N N 28 121.786 117.226 4.560 1
1 375 . 5 1 1 A 29 29 GLU H H 29 8.631 8.717 -0.086 1
1 376 . 5 1 1 A 29 29 GLU HA H 29 4.067 4.159 -0.092 1
1 381 . 5 1 1 A 29 29 GLU C C 29 179.950 178.805 1.145 1
1 382 . 5 1 1 A 29 29 GLU CA C 29 59.827 60.128 -0.301 1
1 383 . 5 1 1 A 29 29 GLU CB C 29 29.172 29.374 -0.202 1
1 385 . 5 1 1 A 29 29 GLU N N 29 119.090 119.942 -0.852 1
1 386 . 5 1 1 A 30 30 SER H H 30 8.307 8.310 -0.003 1
1 387 . 5 1 1 A 30 30 SER HA H 30 4.467 4.232 0.235 1
1 390 . 5 1 1 A 30 30 SER C C 30 177.445 177.471 -0.026 1
1 391 . 5 1 1 A 30 30 SER CA C 30 61.068 61.755 -0.687 1
1 392 . 5 1 1 A 30 30 SER CB C 30 63.054 63.141 -0.087 1
1 393 . 5 1 1 A 30 30 SER N N 30 115.027 115.511 -0.484 1
1 394 . 5 1 1 A 31 31 ALA H H 31 8.319 8.383 -0.064 1
1 395 . 5 1 1 A 31 31 ALA HA H 31 4.070 4.127 -0.057 1
1 399 . 5 1 1 A 31 31 ALA C C 31 178.488 179.491 -1.003 1
1 400 . 5 1 1 A 31 31 ALA CA C 31 55.926 55.131 0.795 1
1 401 . 5 1 1 A 31 31 ALA CB C 31 18.510 18.918 -0.408 1
1 402 . 5 1 1 A 31 31 ALA N N 31 124.966 122.912 2.054 1
1 403 . 5 1 1 A 32 32 TYR H H 32 8.537 8.861 -0.324 1
1 404 . 5 1 1 A 32 32 TYR HA H 32 4.114 4.182 -0.068 1
1 411 . 5 1 1 A 32 32 TYR C C 32 175.705 177.838 -2.133 1
1 412 . 5 1 1 A 32 32 TYR CA C 32 60.480 62.163 -1.683 1
1 413 . 5 1 1 A 32 32 TYR CB C 32 37.864 39.156 -1.292 1
1 416 . 5 1 1 A 32 32 TYR N N 32 116.814 119.752 -2.938 1
1 417 . 5 1 1 A 33 33 LYS H H 33 7.988 8.516 -0.528 1
1 418 . 5 1 1 A 33 33 LYS HA H 33 3.513 3.818 -0.305 1
1 427 . 5 1 1 A 33 33 LYS C C 33 178.474 179.489 -1.015 1
1 428 . 5 1 1 A 33 33 LYS CA C 33 59.810 59.147 0.663 1
1 429 . 5 1 1 A 33 33 LYS CB C 33 32.000 32.298 -0.298 1
1 433 . 5 1 1 A 33 33 LYS N N 33 119.358 118.365 0.993 1
1 434 . 5 1 1 A 34 34 HIS H H 34 8.187 7.916 0.271 1
1 435 . 5 1 1 A 34 34 HIS HA H 34 4.449 4.614 -0.165 1
1 440 . 5 1 1 A 34 34 HIS C C 34 178.948 178.046 0.902 1
1 441 . 5 1 1 A 34 34 HIS CA C 34 60.883 60.597 0.286 1
1 442 . 5 1 1 A 34 34 HIS CB C 34 28.843 31.291 -2.448 1
1 445 . 5 1 1 A 34 34 HIS N N 34 116.156 118.370 -2.214 1
1 448 . 5 1 1 A 35 35 ILE H H 35 8.676 8.528 0.148 1
1 449 . 5 1 1 A 35 35 ILE HA H 35 3.513 3.362 0.151 1
1 459 . 5 1 1 A 35 35 ILE C C 35 177.630 178.490 -0.860 1
1 460 . 5 1 1 A 35 35 ILE CA C 35 65.690 65.314 0.376 1
1 461 . 5 1 1 A 35 35 ILE CB C 35 38.481 37.498 0.983 1
1 465 . 5 1 1 A 35 35 ILE N N 35 121.824 120.463 1.361 1
1 466 . 5 1 1 A 36 36 LYS H H 36 8.797 8.410 0.387 1
1 467 . 5 1 1 A 36 36 LYS HA H 36 3.712 4.157 -0.445 1
1 476 . 5 1 1 A 36 36 LYS C C 36 179.397 178.375 1.022 1
1 477 . 5 1 1 A 36 36 LYS CA C 36 59.860 58.869 0.991 1
1 478 . 5 1 1 A 36 36 LYS CB C 36 31.878 31.493 0.385 1
1 482 . 5 1 1 A 36 36 LYS N N 36 121.589 120.459 1.130 1
1 483 . 5 1 1 A 37 37 ASP H H 37 8.246 7.901 0.345 1
1 484 . 5 1 1 A 37 37 ASP HA H 37 4.336 4.323 0.013 1
1 487 . 5 1 1 A 37 37 ASP C C 37 177.234 178.581 -1.347 1
1 488 . 5 1 1 A 37 37 ASP CA C 37 56.932 57.279 -0.347 1
1 489 . 5 1 1 A 37 37 ASP CB C 37 40.576 41.202 -0.626 1
1 490 . 5 1 1 A 37 37 ASP N N 37 118.225 120.797 -2.572 1
1 491 . 5 1 1 A 38 38 HIS H H 38 7.867 8.041 -0.174 1
1 492 . 5 1 1 A 38 38 HIS HA H 38 4.284 4.293 -0.009 1
1 496 . 5 1 1 A 38 38 HIS C C 38 176.839 174.826 2.013 1
1 497 . 5 1 1 A 38 38 HIS CA C 38 59.389 58.654 0.735 1
1 498 . 5 1 1 A 38 38 HIS CB C 38 31.630 30.616 1.014 1
1 500 . 5 1 1 A 38 38 HIS N N 38 115.487 115.416 0.071 1
1 501 . 5 1 1 A 39 39 PHE H H 39 9.082 8.717 0.365 1
1 502 . 5 1 1 A 39 39 PHE HA H 39 4.369 4.938 -0.569 1
1 510 . 5 1 1 A 39 39 PHE C C 39 175.890 175.817 0.073 1
1 511 . 5 1 1 A 39 39 PHE CA C 39 60.159 56.164 3.995 1
1 512 . 5 1 1 A 39 39 PHE CB C 39 38.850 39.185 -0.335 1
1 516 . 5 1 1 A 39 39 PHE N N 39 114.327 116.171 -1.844 1
1 517 . 5 1 1 A 40 40 ARG H H 40 8.104 8.620 -0.516 1
1 518 . 5 1 1 A 40 40 ARG HA H 40 3.921 4.419 -0.498 1
1 525 . 5 1 1 A 40 40 ARG C C 40 176.892 177.029 -0.137 1
1 526 . 5 1 1 A 40 40 ARG CA C 40 58.009 58.597 -0.588 1
1 527 . 5 1 1 A 40 40 ARG CB C 40 27.531 30.696 -3.165 1
1 530 . 5 1 1 A 40 40 ARG N N 40 118.379 125.651 -7.272 1
1 531 . 5 1 1 A 41 41 HIS H H 41 8.589 8.219 0.370 1
1 532 . 5 1 1 A 41 41 HIS HA H 41 4.910 4.949 -0.039 1
1 536 . 5 1 1 A 41 41 HIS C C 41 174.835 174.893 -0.058 1
1 537 . 5 1 1 A 41 41 HIS CA C 41 55.473 55.685 -0.212 1
1 538 . 5 1 1 A 41 41 HIS CB C 41 29.720 30.555 -0.835 1
1 540 . 5 1 1 A 41 41 HIS N N 41 123.828 112.060 11.768 1
1 541 . 5 1 1 A 42 42 LYS H H 42 8.326 7.699 0.627 1
1 542 . 5 1 1 A 42 42 LYS HA H 42 4.181 4.218 -0.037 1
1 551 . 5 1 1 A 42 42 LYS C C 42 177.973 176.753 1.220 1
1 552 . 5 1 1 A 42 42 LYS CA C 42 58.201 56.911 1.290 1
1 553 . 5 1 1 A 42 42 LYS CB C 42 33.047 33.265 -0.218 1
1 557 . 5 1 1 A 42 42 LYS N N 42 121.129 122.037 -0.908 1
1 558 . 5 1 1 A 43 43 LEU H H 43 9.243 8.625 0.618 1
1 559 . 5 1 1 A 43 43 LEU HA H 43 4.346 4.507 -0.161 1
1 569 . 5 1 1 A 43 43 LEU C C 43 177.840 178.149 -0.309 1
1 570 . 5 1 1 A 43 43 LEU CA C 43 55.420 54.636 0.784 1
1 571 . 5 1 1 A 43 43 LEU CB C 43 40.936 42.296 -1.360 1
1 575 . 5 1 1 A 43 43 LEU N N 43 124.529 127.473 -2.944 1
1 576 . 5 1 1 A 44 44 LEU H H 44 8.404 8.924 -0.520 1
1 577 . 5 1 1 A 44 44 LEU HA H 44 3.681 4.202 -0.521 1
1 587 . 5 1 1 A 44 44 LEU C C 44 177.962 177.693 0.269 1
1 588 . 5 1 1 A 44 44 LEU CA C 44 58.773 58.539 0.234 1
1 589 . 5 1 1 A 44 44 LEU CB C 44 42.661 41.349 1.312 1
1 593 . 5 1 1 A 44 44 LEU N N 44 123.643 126.166 -2.523 1
1 594 . 5 1 1 A 45 45 LYS HA H 45 4.126 4.289 -0.163 1
1 603 . 5 1 1 A 45 45 LYS C C 45 175.533 176.749 -1.216 1
1 604 . 5 1 1 A 45 45 LYS CA C 45 57.405 57.420 -0.015 1
1 605 . 5 1 1 A 45 45 LYS CB C 45 31.650 32.505 -0.855 1
1 609 . 5 1 1 A 46 46 ASP H H 46 7.520 8.109 -0.589 1
1 610 . 5 1 1 A 46 46 ASP HA H 46 4.888 4.688 0.200 1
1 613 . 5 1 1 A 46 46 ASP C C 46 175.811 176.305 -0.494 1
1 614 . 5 1 1 A 46 46 ASP CA C 46 54.268 53.477 0.791 1
1 615 . 5 1 1 A 46 46 ASP CB C 46 42.178 40.996 1.182 1
1 616 . 5 1 1 A 46 46 ASP N N 46 118.587 119.325 -0.738 1
1 617 . 5 1 1 A 47 47 ILE H H 47 6.965 7.154 -0.189 1
1 618 . 5 1 1 A 47 47 ILE HA H 47 4.048 3.808 0.240 1
1 628 . 5 1 1 A 47 47 ILE C C 47 175.362 174.996 0.366 1
1 629 . 5 1 1 A 47 47 ILE CA C 47 59.826 61.201 -1.375 1
1 630 . 5 1 1 A 47 47 ILE CB C 47 34.389 37.303 -2.914 1
1 634 . 5 1 1 A 47 47 ILE N N 47 119.126 122.085 -2.959 1
1 635 . 5 1 1 A 48 48 LYS H H 48 8.489 9.450 -0.961 1
1 636 . 5 1 1 A 48 48 LYS HA H 48 4.635 4.493 0.142 1
1 645 . 5 1 1 A 48 48 LYS C C 48 177.252 178.500 -1.248 1
1 646 . 5 1 1 A 48 48 LYS CA C 48 54.357 55.209 -0.852 1
1 647 . 5 1 1 A 48 48 LYS CB C 48 34.753 33.355 1.398 1
1 651 . 5 1 1 A 48 48 LYS N N 48 127.892 127.623 0.269 1
1 652 . 5 1 1 A 49 49 ARG H H 49 8.816 8.758 0.058 1
1 653 . 5 1 1 A 49 49 ARG HA H 49 4.314 3.991 0.323 1
1 660 . 5 1 1 A 49 49 ARG C C 49 178.464 178.868 -0.404 1
1 661 . 5 1 1 A 49 49 ARG CA C 49 60.341 59.711 0.630 1
1 662 . 5 1 1 A 49 49 ARG CB C 49 30.197 30.515 -0.318 1
1 665 . 5 1 1 A 49 49 ARG N N 49 122.736 122.711 0.025 1
1 666 . 5 1 1 A 50 50 THR H H 50 8.269 8.194 0.075 1
1 667 . 5 1 1 A 50 50 THR HA H 50 4.079 4.157 -0.078 1
1 672 . 5 1 1 A 50 50 THR C C 50 177.316 177.407 -0.091 1
1 673 . 5 1 1 A 50 50 THR CA C 50 65.501 65.495 0.006 1
1 674 . 5 1 1 A 50 50 THR CB C 50 67.951 68.214 -0.263 1
1 676 . 5 1 1 A 50 50 THR N N 50 110.696 112.260 -1.564 1
1 677 . 5 1 1 A 51 51 GLU H H 51 7.260 8.301 -1.041 1
1 678 . 5 1 1 A 51 51 GLU HA H 51 4.239 4.102 0.137 1
1 683 . 5 1 1 A 51 51 GLU C C 51 179.621 179.212 0.409 1
1 684 . 5 1 1 A 51 51 GLU CA C 51 58.921 60.054 -1.133 1
1 685 . 5 1 1 A 51 51 GLU CB C 51 29.916 29.735 0.181 1
1 687 . 5 1 1 A 51 51 GLU N N 51 121.344 122.708 -1.364 1
1 688 . 5 1 1 A 52 52 TYR H H 52 8.678 8.137 0.541 1
1 689 . 5 1 1 A 52 52 TYR HA H 52 4.376 4.402 -0.026 1
1 697 . 5 1 1 A 52 52 TYR C C 52 176.120 177.624 -1.504 1
1 698 . 5 1 1 A 52 52 TYR CA C 52 62.660 61.716 0.944 1
1 699 . 5 1 1 A 52 52 TYR CB C 52 38.206 38.806 -0.600 1
1 702 . 5 1 1 A 52 52 TYR N N 52 122.483 121.523 0.960 1
1 703 . 5 1 1 A 53 53 GLN H H 53 8.801 8.461 0.340 1
1 704 . 5 1 1 A 53 53 GLN HA H 53 3.721 3.935 -0.214 1
1 711 . 5 1 1 A 53 53 GLN C C 53 177.894 178.603 -0.709 1
1 712 . 5 1 1 A 53 53 GLN CA C 53 58.111 58.707 -0.596 1
1 713 . 5 1 1 A 53 53 GLN CB C 53 28.909 28.601 0.308 1
1 715 . 5 1 1 A 53 53 GLN N N 53 118.817 118.076 0.741 1
1 717 . 5 1 1 A 54 54 LYS H H 54 7.685 8.234 -0.549 1
1 718 . 5 1 1 A 54 54 LYS HA H 54 4.051 4.076 -0.025 1
1 727 . 5 1 1 A 54 54 LYS C C 54 178.918 178.896 0.022 1
1 728 . 5 1 1 A 54 54 LYS CA C 54 59.845 58.812 1.033 1
1 729 . 5 1 1 A 54 54 LYS CB C 54 32.339 32.154 0.185 1
1 733 . 5 1 1 A 54 54 LYS N N 54 118.629 118.979 -0.350 1
1 734 . 5 1 1 A 55 55 PHE H H 55 7.533 8.277 -0.744 1
1 735 . 5 1 1 A 55 55 PHE HA H 55 3.660 3.938 -0.278 1
1 743 . 5 1 1 A 55 55 PHE C C 55 176.180 177.155 -0.975 1
1 744 . 5 1 1 A 55 55 PHE CA C 55 59.494 61.118 -1.624 1
1 745 . 5 1 1 A 55 55 PHE CB C 55 38.189 39.088 -0.899 1
1 749 . 5 1 1 A 55 55 PHE N N 55 120.449 120.960 -0.511 1
1 750 . 5 1 1 A 56 56 LEU H H 56 8.019 8.452 -0.433 1
1 751 . 5 1 1 A 56 56 LEU HA H 56 3.254 3.549 -0.295 1
1 761 . 5 1 1 A 56 56 LEU C C 56 179.581 179.015 0.566 1
1 762 . 5 1 1 A 56 56 LEU CA C 56 57.366 57.696 -0.330 1
1 763 . 5 1 1 A 56 56 LEU CB C 56 41.462 41.152 0.310 1
1 767 . 5 1 1 A 56 56 LEU N N 56 120.223 119.836 0.387 1
1 768 . 5 1 1 A 57 57 ASN H H 57 8.427 8.608 -0.181 1
1 769 . 5 1 1 A 57 57 ASN HA H 57 4.324 4.463 -0.139 1
1 774 . 5 1 1 A 57 57 ASN C C 57 178.105 178.420 -0.315 1
1 775 . 5 1 1 A 57 57 ASN CA C 57 55.194 56.595 -1.401 1
1 776 . 5 1 1 A 57 57 ASN CB C 57 36.948 37.764 -0.816 1
1 777 . 5 1 1 A 57 57 ASN N N 57 118.422 118.043 0.379 1
1 779 . 5 1 1 A 58 58 GLU H H 58 7.873 8.234 -0.361 1
1 780 . 5 1 1 A 58 58 GLU HA H 58 4.063 4.149 -0.086 1
1 785 . 5 1 1 A 58 58 GLU C C 58 179.660 178.414 1.246 1
1 786 . 5 1 1 A 58 58 GLU CA C 58 59.064 58.610 0.454 1
1 787 . 5 1 1 A 58 58 GLU CB C 58 29.592 29.353 0.239 1
1 789 . 5 1 1 A 58 58 GLU N N 58 121.129 119.296 1.833 1
1 790 . 5 1 1 A 59 59 TYR H H 59 8.638 7.864 0.774 1
1 791 . 5 1 1 A 59 59 TYR HA H 59 3.949 3.974 -0.025 1
1 798 . 5 1 1 A 59 59 TYR C C 59 179.907 178.107 1.800 1
1 799 . 5 1 1 A 59 59 TYR CA C 59 61.870 60.916 0.954 1
1 800 . 5 1 1 A 59 59 TYR CB C 59 38.156 38.116 0.040 1
1 803 . 5 1 1 A 59 59 TYR N N 59 124.461 122.805 1.656 1
1 804 . 5 1 1 A 60 60 GLY H H 60 8.925 8.455 0.470 1
1 805 . 5 1 1 A 60 60 GLY HA2 H 60 3.947 3.964 -0.017 1
1 806 . 5 1 1 A 60 60 GLY HA3 H 60 4.175 3.986 0.189 1
1 807 . 5 1 1 A 60 60 GLY C C 60 173.294 174.789 -1.495 1
1 808 . 5 1 1 A 60 60 GLY CA C 60 46.424 45.756 0.668 1
1 809 . 5 1 1 A 60 60 GLY N N 60 107.578 106.401 1.177 1
1 810 . 5 1 1 A 61 61 LEU H H 61 7.448 7.801 -0.353 1
1 811 . 5 1 1 A 61 61 LEU HA H 61 4.238 4.270 -0.032 1
1 821 . 5 1 1 A 61 61 LEU C C 61 179.159 177.838 1.321 1
1 822 . 5 1 1 A 61 61 LEU CA C 61 57.274 55.923 1.351 1
1 823 . 5 1 1 A 61 61 LEU CB C 61 42.304 42.443 -0.139 1
1 827 . 5 1 1 A 61 61 LEU N N 61 118.202 120.021 -1.819 1
1 828 . 5 1 1 A 62 62 THR H H 62 6.974 7.259 -0.285 1
1 829 . 5 1 1 A 62 62 THR HA H 62 4.385 4.547 -0.162 1
1 834 . 5 1 1 A 62 62 THR C C 62 173.170 173.038 0.132 1
1 835 . 5 1 1 A 62 62 THR CA C 62 59.813 60.726 -0.913 1
1 836 . 5 1 1 A 62 62 THR CB C 62 69.697 70.021 -0.324 1
1 838 . 5 1 1 A 62 62 THR N N 62 101.223 104.680 -3.457 1
1 839 . 5 1 1 A 63 63 HIS H H 63 7.041 7.486 -0.445 1
1 840 . 5 1 1 A 63 63 HIS HA H 63 4.861 5.055 -0.194 1
1 845 . 5 1 1 A 63 63 HIS C C 63 172.567 174.811 -2.244 1
1 846 . 5 1 1 A 63 63 HIS CA C 63 55.522 54.398 1.124 1
1 847 . 5 1 1 A 63 63 HIS CB C 63 32.328 33.202 -0.874 1
1 850 . 5 1 1 A 63 63 HIS N N 63 116.818 119.487 -2.669 1
1 853 . 5 1 1 A 64 64 SER H H 64 8.717 8.729 -0.012 1
1 854 . 5 1 1 A 64 64 SER HA H 64 4.582 4.475 0.107 1
1 857 . 5 1 1 A 64 64 SER C C 64 174.545 175.215 -0.670 1
1 858 . 5 1 1 A 64 64 SER CA C 64 57.169 58.787 -1.618 1
1 859 . 5 1 1 A 64 64 SER CB C 64 65.484 64.332 1.152 1
1 860 . 5 1 1 A 64 64 SER N N 64 116.128 119.250 -3.122 1
1 861 . 5 1 1 A 65 65 TYR H H 65 9.054 9.197 -0.143 1
1 862 . 5 1 1 A 65 65 TYR HA H 65 4.059 4.115 -0.056 1
1 869 . 5 1 1 A 65 65 TYR C C 65 176.918 177.368 -0.450 1
1 870 . 5 1 1 A 65 65 TYR CA C 65 61.906 62.545 -0.639 1
1 871 . 5 1 1 A 65 65 TYR CB C 65 38.185 38.768 -0.583 1
1 874 . 5 1 1 A 65 65 TYR N N 65 121.679 124.356 -2.677 1
1 875 . 5 1 1 A 66 66 GLU H H 66 8.965 8.458 0.507 1
1 876 . 5 1 1 A 66 66 GLU HA H 66 3.888 3.847 0.041 1
1 881 . 5 1 1 A 66 66 GLU C C 66 178.764 179.178 -0.414 1
1 882 . 5 1 1 A 66 66 GLU CA C 66 59.329 59.086 0.243 1
1 883 . 5 1 1 A 66 66 GLU CB C 66 28.874 29.369 -0.495 1
1 885 . 5 1 1 A 66 66 GLU N N 66 117.723 118.252 -0.529 1
1 886 . 5 1 1 A 67 67 THR H H 67 7.626 8.125 -0.499 1
1 887 . 5 1 1 A 67 67 THR HA H 67 3.864 4.147 -0.283 1
1 892 . 5 1 1 A 67 67 THR C C 67 176.681 176.293 0.388 1
1 893 . 5 1 1 A 67 67 THR CA C 67 66.368 67.083 -0.715 1
1 894 . 5 1 1 A 67 67 THR CB C 67 68.290 68.035 0.255 1
1 896 . 5 1 1 A 67 67 THR N N 67 116.084 118.218 -2.134 1
1 897 . 5 1 1 A 68 68 ILE H H 68 8.324 7.920 0.404 1
1 898 . 5 1 1 A 68 68 ILE HA H 68 3.686 3.899 -0.213 1
1 908 . 5 1 1 A 68 68 ILE C C 68 176.527 177.566 -1.039 1
1 909 . 5 1 1 A 68 68 ILE CA C 68 65.205 62.792 2.413 1
1 910 . 5 1 1 A 68 68 ILE CB C 68 38.355 37.677 0.678 1
1 914 . 5 1 1 A 68 68 ILE N N 68 123.174 120.459 2.715 1
1 915 . 5 1 1 A 69 69 ARG H H 69 8.407 8.189 0.218 1
1 916 . 5 1 1 A 69 69 ARG HA H 69 3.673 3.664 0.009 1
1 923 . 5 1 1 A 69 69 ARG C C 69 179.687 178.924 0.763 1
1 924 . 5 1 1 A 69 69 ARG CA C 69 59.577 60.234 -0.657 1
1 925 . 5 1 1 A 69 69 ARG CB C 69 29.560 29.898 -0.338 1
1 928 . 5 1 1 A 69 69 ARG N N 69 121.358 122.798 -1.440 1
1 929 . 5 1 1 A 70 70 LYS H H 70 7.562 7.616 -0.054 1
1 930 . 5 1 1 A 70 70 LYS HA H 70 3.617 3.596 0.021 1
1 939 . 5 1 1 A 70 70 LYS C C 70 177.129 178.015 -0.886 1
1 940 . 5 1 1 A 70 70 LYS CA C 70 59.380 58.632 0.748 1
1 941 . 5 1 1 A 70 70 LYS CB C 70 31.978 32.140 -0.162 1
1 945 . 5 1 1 A 70 70 LYS N N 70 120.218 119.351 0.867 1
1 946 . 5 1 1 A 71 71 LEU H H 71 7.640 7.866 -0.226 1
1 947 . 5 1 1 A 71 71 LEU HA H 71 3.629 3.844 -0.215 1
1 957 . 5 1 1 A 71 71 LEU C C 71 178.157 178.252 -0.095 1
1 958 . 5 1 1 A 71 71 LEU CA C 71 58.477 58.271 0.206 1
1 959 . 5 1 1 A 71 71 LEU CB C 71 41.262 41.328 -0.066 1
1 963 . 5 1 1 A 71 71 LEU N N 71 119.991 121.648 -1.657 1
1 964 . 5 1 1 A 72 72 ASN H H 72 8.474 8.237 0.237 1
1 965 . 5 1 1 A 72 72 ASN HA H 72 4.485 4.479 0.006 1
1 970 . 5 1 1 A 72 72 ASN C C 72 176.285 177.597 -1.312 1
1 971 . 5 1 1 A 72 72 ASN CA C 72 56.424 56.738 -0.314 1
1 972 . 5 1 1 A 72 72 ASN CB C 72 39.544 39.487 0.057 1
1 973 . 5 1 1 A 72 72 ASN N N 72 114.097 117.422 -3.325 1
1 975 . 5 1 1 A 73 73 SER H H 73 7.878 7.918 -0.040 1
1 976 . 5 1 1 A 73 73 SER HA H 73 4.177 4.173 0.004 1
1 979 . 5 1 1 A 73 73 SER C C 73 176.734 176.582 0.152 1
1 980 . 5 1 1 A 73 73 SER CA C 73 61.741 62.207 -0.466 1
1 981 . 5 1 1 A 73 73 SER CB C 73 62.573 63.335 -0.762 1
1 982 . 5 1 1 A 73 73 SER N N 73 115.022 116.938 -1.916 1
1 983 . 5 1 1 A 74 74 TYR H H 74 8.078 7.446 0.632 1
1 984 . 5 1 1 A 74 74 TYR HA H 74 5.168 4.586 0.582 1
1 991 . 5 1 1 A 74 74 TYR C C 74 178.436 178.365 0.071 1
1 992 . 5 1 1 A 74 74 TYR CA C 74 58.023 61.453 -3.430 1
1 993 . 5 1 1 A 74 74 TYR CB C 74 37.835 38.325 -0.490 1
1 996 . 5 1 1 A 74 74 TYR N N 74 122.937 119.975 2.962 1
1 997 . 5 1 1 A 75 75 ILE H H 75 8.264 8.473 -0.209 1
1 998 . 5 1 1 A 75 75 ILE HA H 75 3.647 4.008 -0.361 1
1 1008 . 5 1 1 A 75 75 ILE C C 75 177.656 178.368 -0.712 1
1 1009 . 5 1 1 A 75 75 ILE CA C 75 66.349 65.278 1.071 1
1 1010 . 5 1 1 A 75 75 ILE CB C 75 37.494 38.052 -0.558 1
1 1014 . 5 1 1 A 75 75 ILE N N 75 119.080 120.437 -1.357 1
1 1015 . 5 1 1 A 76 76 ARG H H 76 9.316 8.338 0.978 1
1 1016 . 5 1 1 A 76 76 ARG HA H 76 3.896 4.047 -0.151 1
1 1024 . 5 1 1 A 76 76 ARG C C 76 179.033 178.193 0.840 1
1 1025 . 5 1 1 A 76 76 ARG CA C 76 60.536 59.727 0.809 1
1 1026 . 5 1 1 A 76 76 ARG CB C 76 30.238 29.758 0.480 1
1 1029 . 5 1 1 A 76 76 ARG N N 76 121.985 121.135 0.850 1
1 1031 . 5 1 1 A 77 77 ASN H H 77 8.003 7.992 0.011 1
1 1032 . 5 1 1 A 77 77 ASN HA H 77 4.605 4.597 0.008 1
1 1037 . 5 1 1 A 77 77 ASN C C 77 177.146 177.221 -0.075 1
1 1038 . 5 1 1 A 77 77 ASN CA C 77 55.755 56.499 -0.744 1
1 1039 . 5 1 1 A 77 77 ASN CB C 77 38.857 38.823 0.034 1
1 1040 . 5 1 1 A 77 77 ASN N N 77 117.750 117.737 0.013 1
1 1042 . 5 1 1 A 78 78 ALA H H 78 8.082 7.866 0.216 1
1 1043 . 5 1 1 A 78 78 ALA HA H 78 2.351 2.551 -0.200 1
1 1047 . 5 1 1 A 78 78 ALA C C 78 181.084 179.850 1.234 1
1 1048 . 5 1 1 A 78 78 ALA CA C 78 54.703 54.282 0.421 1
1 1049 . 5 1 1 A 78 78 ALA CB C 78 16.121 17.812 -1.691 1
1 1050 . 5 1 1 A 78 78 ALA N N 78 124.770 121.227 3.543 1
1 1051 . 5 1 1 A 79 79 PHE H H 79 8.603 8.117 0.486 1
1 1052 . 5 1 1 A 79 79 PHE HA H 79 3.974 4.325 -0.351 1
1 1060 . 5 1 1 A 79 79 PHE C C 79 177.841 177.793 0.048 1
1 1061 . 5 1 1 A 79 79 PHE CA C 79 63.302 61.404 1.898 1
1 1062 . 5 1 1 A 79 79 PHE CB C 79 40.594 37.977 2.617 1
1 1066 . 5 1 1 A 79 79 PHE N N 79 116.847 115.871 0.976 1
1 1067 . 5 1 1 A 80 80 ASP H H 80 8.298 8.441 -0.143 1
1 1068 . 5 1 1 A 80 80 ASP HA H 80 4.620 4.438 0.182 1
1 1071 . 5 1 1 A 80 80 ASP C C 80 179.845 178.319 1.526 1
1 1072 . 5 1 1 A 80 80 ASP CA C 80 57.957 58.009 -0.052 1
1 1073 . 5 1 1 A 80 80 ASP CB C 80 39.595 41.587 -1.992 1
1 1074 . 5 1 1 A 80 80 ASP N N 80 121.362 120.661 0.701 1
1 1075 . 5 1 1 A 81 81 ASP H H 81 8.051 8.303 -0.252 1
1 1076 . 5 1 1 A 81 81 ASP HA H 81 4.724 4.490 0.234 1
1 1079 . 5 1 1 A 81 81 ASP C C 81 177.963 178.837 -0.874 1
1 1080 . 5 1 1 A 81 81 ASP CA C 81 57.537 57.354 0.183 1
1 1081 . 5 1 1 A 81 81 ASP CB C 81 39.463 40.341 -0.878 1
1 1082 . 5 1 1 A 81 81 ASP N N 81 122.166 119.668 2.498 1
1 1083 . 5 1 1 A 82 82 ALA H H 82 8.025 7.494 0.531 1
1 1084 . 5 1 1 A 82 82 ALA HA H 82 4.106 4.175 -0.069 1
1 1088 . 5 1 1 A 82 82 ALA C C 82 180.223 179.780 0.443 1
1 1089 . 5 1 1 A 82 82 ALA CA C 82 55.194 55.248 -0.054 1
1 1090 . 5 1 1 A 82 82 ALA CB C 82 17.947 18.647 -0.700 1
1 1091 . 5 1 1 A 82 82 ALA N N 82 124.747 122.549 2.198 1
1 1092 . 5 1 1 A 83 83 ILE H H 83 8.327 8.827 -0.500 1
1 1093 . 5 1 1 A 83 83 ILE HA H 83 4.235 3.943 0.292 1
1 1103 . 5 1 1 A 83 83 ILE C C 83 180.768 178.015 2.753 1
1 1104 . 5 1 1 A 83 83 ILE CA C 83 63.966 63.701 0.265 1
1 1105 . 5 1 1 A 83 83 ILE CB C 83 38.254 37.802 0.452 1
1 1109 . 5 1 1 A 83 83 ILE N N 83 120.907 118.602 2.305 1
1 1110 . 5 1 1 A 84 84 HIS H H 84 7.934 8.138 -0.204 1
1 1111 . 5 1 1 A 84 84 HIS HA H 84 4.434 4.449 -0.015 1
1 1116 . 5 1 1 A 84 84 HIS C C 84 178.250 176.079 2.171 1
1 1117 . 5 1 1 A 84 84 HIS CA C 84 59.042 59.340 -0.298 1
1 1118 . 5 1 1 A 84 84 HIS CB C 84 28.750 29.404 -0.654 1
1 1121 . 5 1 1 A 84 84 HIS N N 84 121.346 120.437 0.909 1
1 1124 . 5 1 1 A 85 85 GLU H H 85 8.074 7.945 0.129 1
1 1125 . 5 1 1 A 85 85 GLU HA H 85 4.192 4.473 -0.281 1
1 1130 . 5 1 1 A 85 85 GLU C C 85 176.510 176.817 -0.307 1
1 1131 . 5 1 1 A 85 85 GLU CA C 85 56.512 57.138 -0.626 1
1 1132 . 5 1 1 A 85 85 GLU CB C 85 30.284 31.930 -1.646 1
1 1134 . 5 1 1 A 85 85 GLU N N 85 115.467 119.067 -3.600 1
1 1135 . 5 1 1 A 86 86 GLY H H 86 7.715 8.175 -0.460 1
1 1136 . 5 1 1 A 86 86 GLY HA2 H 86 3.844 4.048 -0.204 1
1 1137 . 5 1 1 A 86 86 GLY HA3 H 86 4.136 4.051 0.085 1
1 1138 . 5 1 1 A 86 86 GLY C C 86 175.243 174.741 0.502 1
1 1139 . 5 1 1 A 86 86 GLY CA C 86 45.108 45.277 -0.169 1
1 1140 . 5 1 1 A 86 86 GLY N N 86 105.999 107.927 -1.928 1
1 1141 . 5 1 1 A 87 87 TYR H H 87 8.173 8.343 -0.170 1
1 1142 . 5 1 1 A 87 87 TYR HA H 87 4.396 4.205 0.191 1
1 1149 . 5 1 1 A 87 87 TYR CA C 87 59.317 60.952 -1.635 1
1 1150 . 5 1 1 A 87 87 TYR CB C 87 39.558 39.289 0.269 1
1 1153 . 5 1 1 A 87 87 TYR N N 87 118.412 121.402 -2.990 1
1 1154 . 5 1 1 A 88 88 VAL HA H 88 4.583 4.484 0.099 1
1 1162 . 5 1 1 A 88 88 VAL CB C 88 36.112 33.633 2.479 1
1 1165 . 5 1 1 A 89 89 ILE HA H 89 4.426 4.044 0.382 1
1 1175 . 5 1 1 A 89 89 ILE CA C 89 61.984 63.568 -1.584 1
1 1176 . 5 1 1 A 89 89 ILE CB C 89 39.850 38.499 1.351 1
1 1180 . 5 1 1 A 90 90 LYS H H 90 7.387 7.679 -0.292 1
1 1181 . 5 1 1 A 90 90 LYS HA H 90 4.508 4.631 -0.123 1
1 1190 . 5 1 1 A 90 90 LYS C C 90 174.665 174.185 0.480 1
1 1191 . 5 1 1 A 90 90 LYS CA C 90 54.111 55.701 -1.590 1
1 1192 . 5 1 1 A 90 90 LYS CB C 90 35.086 35.621 -0.535 1
1 1196 . 5 1 1 A 91 91 ASN H H 91 8.803 8.846 -0.043 1
1 1197 . 5 1 1 A 91 91 ASN HA H 91 4.279 4.299 -0.020 1
1 1202 . 5 1 1 A 91 91 ASN CB C 91 38.879 37.592 1.287 1
1 1203 . 5 1 1 A 91 91 ASN N N 91 120.903 124.993 -4.090 1
1 1205 . 5 1 1 A 92 92 PRO HA H 92 4.206 4.296 -0.090 1
1 1212 . 5 1 1 A 92 92 PRO C C 92 174.751 176.384 -1.633 1
1 1213 . 5 1 1 A 92 92 PRO CA C 92 63.927 63.481 0.446 1
1 1214 . 5 1 1 A 92 92 PRO CB C 92 30.969 32.602 -1.633 1
1 1217 . 5 1 1 A 93 93 THR H H 93 7.441 7.537 -0.096 1
1 1218 . 5 1 1 A 93 93 THR HA H 93 4.093 3.938 0.155 1
1 1224 . 5 1 1 A 93 93 THR C C 93 175.922 175.671 0.251 1
1 1225 . 5 1 1 A 93 93 THR CA C 93 62.221 62.455 -0.234 1
1 1226 . 5 1 1 A 93 93 THR CB C 93 69.463 68.590 0.873 1
1 1228 . 5 1 1 A 93 93 THR N N 93 105.991 111.713 -5.722 1
1 1229 . 5 1 1 A 94 94 TYR H H 94 7.139 7.848 -0.709 1
1 1230 . 5 1 1 A 94 94 TYR HA H 94 4.393 4.070 0.323 1
1 1237 . 5 1 1 A 94 94 TYR C C 94 176.180 176.567 -0.387 1
1 1238 . 5 1 1 A 94 94 TYR CA C 94 58.272 61.547 -3.275 1
1 1239 . 5 1 1 A 94 94 TYR CB C 94 37.490 38.940 -1.450 1
1 1242 . 5 1 1 A 94 94 TYR N N 94 124.098 122.669 1.429 1
1 1243 . 5 1 1 A 95 95 LYS H H 95 8.904 7.930 0.974 1
1 1244 . 5 1 1 A 95 95 LYS HA H 95 3.758 4.460 -0.702 1
1 1253 . 5 1 1 A 95 95 LYS C C 95 175.547 176.200 -0.653 1
1 1254 . 5 1 1 A 95 95 LYS CA C 95 57.078 54.882 2.196 1
1 1255 . 5 1 1 A 95 95 LYS CB C 95 29.962 30.786 -0.824 1
1 1259 . 5 1 1 A 95 95 LYS N N 95 121.317 118.032 3.285 1
1 1260 . 5 1 1 A 96 96 ALA H H 96 7.583 7.837 -0.254 1
1 1261 . 5 1 1 A 96 96 ALA HA H 96 4.157 4.704 -0.547 1
1 1265 . 5 1 1 A 96 96 ALA C C 96 177.630 177.404 0.226 1
1 1266 . 5 1 1 A 96 96 ALA CA C 96 53.298 51.358 1.940 1
1 1267 . 5 1 1 A 96 96 ALA CB C 96 18.807 19.168 -0.361 1
1 1268 . 5 1 1 A 96 96 ALA N N 96 121.832 125.597 -3.765 1
1 1269 . 5 1 1 A 97 97 GLU H H 97 9.243 7.424 1.819 1
1 1270 . 5 1 1 A 97 97 GLU HA H 97 4.347 4.311 0.036 1
1 1275 . 5 1 1 A 97 97 GLU C C 97 175.890 175.665 0.225 1
1 1276 . 5 1 1 A 97 97 GLU CA C 97 55.198 56.528 -1.330 1
1 1277 . 5 1 1 A 97 97 GLU CB C 97 30.931 30.375 0.556 1
1 1279 . 5 1 1 A 97 97 GLU N N 97 121.989 118.789 3.200 1
1 1280 . 5 1 1 A 98 98 LEU H H 98 8.401 8.932 -0.531 1
1 1281 . 5 1 1 A 98 98 LEU HA H 98 4.277 4.702 -0.425 1
1 1291 . 5 1 1 A 98 98 LEU C C 98 175.738 175.776 -0.038 1
1 1292 . 5 1 1 A 98 98 LEU CA C 98 54.337 54.344 -0.007 1
1 1293 . 5 1 1 A 98 98 LEU CB C 98 41.634 40.707 0.927 1
1 1297 . 5 1 1 A 98 98 LEU N N 98 123.414 126.607 -3.193 1
1 1298 . 5 1 1 A 99 99 HIS H H 99 8.749 8.326 0.423 1
1 1299 . 5 1 1 A 99 99 HIS HA H 99 4.706 4.985 -0.279 1
1 1304 . 5 1 1 A 99 99 HIS C C 99 173.912 174.096 -0.184 1
1 1305 . 5 1 1 A 99 99 HIS CA C 99 55.183 55.008 0.175 1
1 1306 . 5 1 1 A 99 99 HIS CB C 99 29.916 28.920 0.996 1
1 1309 . 5 1 1 A 99 99 HIS N N 99 121.129 124.724 -3.595 1
1 1312 . 5 1 1 A 100 100 ALA H H 100 8.369 8.891 -0.522 1
1 1313 . 5 1 1 A 100 100 ALA HA H 100 4.518 4.416 0.102 1
1 1317 . 5 1 1 A 100 100 ALA C C 100 177.533 178.223 -0.690 1
1 1318 . 5 1 1 A 100 100 ALA CA C 100 51.753 50.976 0.777 1
1 1319 . 5 1 1 A 100 100 ALA CB C 100 20.081 18.792 1.289 1
1 1320 . 5 1 1 A 100 100 ALA N N 100 125.646 128.769 -3.123 1
1 1321 . 5 1 1 A 101 101 SER H H 101 8.357 8.766 -0.409 1
1 1322 . 5 1 1 A 101 101 SER HA H 101 4.452 4.531 -0.079 1
1 1325 . 5 1 1 A 101 101 SER C C 101 174.729 175.690 -0.961 1
1 1326 . 5 1 1 A 101 101 SER CA C 101 58.781 58.477 0.304 1
1 1327 . 5 1 1 A 101 101 SER CB C 101 63.865 63.082 0.783 1
1 1328 . 5 1 1 A 101 101 SER N N 101 115.505 120.009 -4.504 1
1 1329 . 5 1 1 A 102 102 VAL H H 102 7.884 7.016 0.868 1
1 1330 . 5 1 1 A 102 102 VAL HA H 102 4.111 3.658 0.453 1
1 1338 . 5 1 1 A 102 102 VAL C C 102 175.837 176.644 -0.807 1
1 1339 . 5 1 1 A 102 102 VAL CA C 102 62.237 66.503 -4.266 1
1 1340 . 5 1 1 A 102 102 VAL CB C 102 32.336 31.675 0.661 1
1 1343 . 5 1 1 A 102 102 VAL N N 102 120.880 120.492 0.388 1
1 1344 . 5 1 1 A 103 103 LEU H H 103 8.170 7.668 0.502 1
1 1345 . 5 1 1 A 103 103 LEU HA H 103 4.299 4.390 -0.091 1
1 1355 . 5 1 1 A 103 103 LEU C C 103 177.129 176.546 0.583 1
1 1356 . 5 1 1 A 103 103 LEU CA C 103 54.999 54.404 0.595 1
1 1357 . 5 1 1 A 103 103 LEU CB C 103 42.276 40.236 2.040 1
1 1361 . 5 1 1 A 103 103 LEU N N 103 124.757 121.707 3.050 1
1 1362 . 5 1 1 A 104 104 GLU H H 104 8.244 8.448 -0.204 1
1 1363 . 5 1 1 A 104 104 GLU HA H 104 4.175 4.211 -0.036 1
1 1368 . 5 1 1 A 104 104 GLU C C 104 176.153 176.385 -0.232 1
1 1369 . 5 1 1 A 104 104 GLU CA C 104 56.413 58.479 -2.066 1
1 1370 . 5 1 1 A 104 104 GLU CB C 104 30.270 30.696 -0.426 1
1 1372 . 5 1 1 A 104 104 GLU N N 104 121.146 127.025 -5.879 1
1 1373 . 5 1 1 A 105 105 HIS H H 105 8.242 7.631 0.611 1
1 1376 . 5 1 1 A 105 105 HIS C C 105 174.967 173.033 1.934 1
1 1377 . 5 1 1 A 105 105 HIS CA C 105 56.137 53.599 2.538 1
1 1378 . 5 1 1 A 105 105 HIS CB C 105 30.290 32.992 -2.702 1
1 13 . 6 1 1 A 2 2 ILE HA H 2 4.615 4.999 -0.384 1
1 23 . 6 1 1 A 2 2 ILE C C 2 175.630 175.934 -0.304 1
1 24 . 6 1 1 A 2 2 ILE CA C 2 60.619 59.227 1.392 1
1 25 . 6 1 1 A 2 2 ILE CB C 2 40.542 40.762 -0.220 1
1 29 . 6 1 1 A 3 3 THR H H 3 9.133 8.580 0.553 1
1 30 . 6 1 1 A 3 3 THR HA H 3 4.656 4.668 -0.012 1
1 36 . 6 1 1 A 3 3 THR C C 3 174.729 175.610 -0.881 1
1 37 . 6 1 1 A 3 3 THR CA C 3 61.509 61.274 0.235 1
1 38 . 6 1 1 A 3 3 THR CB C 3 69.896 70.390 -0.494 1
1 40 . 6 1 1 A 3 3 THR N N 3 119.091 117.705 1.386 1
1 41 . 6 1 1 A 4 4 PHE H H 4 8.642 9.673 -1.031 1
1 42 . 6 1 1 A 4 4 PHE HA H 4 4.576 3.988 0.588 1
1 50 . 6 1 1 A 4 4 PHE C C 4 176.302 177.325 -1.023 1
1 51 . 6 1 1 A 4 4 PHE CA C 4 58.368 62.633 -4.265 1
1 52 . 6 1 1 A 4 4 PHE CB C 4 37.526 39.553 -2.027 1
1 56 . 6 1 1 A 4 4 PHE N N 4 122.510 122.878 -0.368 1
1 57 . 6 1 1 A 5 5 ALA H H 5 9.195 8.328 0.867 1
1 58 . 6 1 1 A 5 5 ALA HA H 5 3.692 3.962 -0.270 1
1 62 . 6 1 1 A 5 5 ALA C C 5 178.210 179.928 -1.718 1
1 63 . 6 1 1 A 5 5 ALA CA C 5 56.073 55.213 0.860 1
1 64 . 6 1 1 A 5 5 ALA CB C 5 17.897 18.041 -0.144 1
1 65 . 6 1 1 A 5 5 ALA N N 5 120.106 121.660 -1.554 1
1 66 . 6 1 1 A 6 6 ASP H H 6 7.978 8.320 -0.342 1
1 67 . 6 1 1 A 6 6 ASP HA H 6 4.615 4.488 0.127 1
1 70 . 6 1 1 A 6 6 ASP C C 6 179.370 178.766 0.604 1
1 71 . 6 1 1 A 6 6 ASP CA C 6 57.369 57.514 -0.145 1
1 72 . 6 1 1 A 6 6 ASP CB C 6 39.556 40.805 -1.249 1
1 73 . 6 1 1 A 6 6 ASP N N 6 115.486 118.226 -2.740 1
1 74 . 6 1 1 A 7 7 TYR H H 7 8.776 8.085 0.691 1
1 75 . 6 1 1 A 7 7 TYR HA H 7 3.984 4.233 -0.249 1
1 82 . 6 1 1 A 7 7 TYR C C 7 176.232 177.609 -1.377 1
1 83 . 6 1 1 A 7 7 TYR CA C 7 62.241 61.423 0.818 1
1 84 . 6 1 1 A 7 7 TYR CB C 7 38.521 38.381 0.140 1
1 87 . 6 1 1 A 7 7 TYR N N 7 120.885 122.541 -1.656 1
1 88 . 6 1 1 A 8 8 PHE H H 8 9.024 8.236 0.788 1
1 89 . 6 1 1 A 8 8 PHE HA H 8 3.732 4.060 -0.328 1
1 97 . 6 1 1 A 8 8 PHE C C 8 176.261 176.932 -0.671 1
1 98 . 6 1 1 A 8 8 PHE CA C 8 62.936 61.947 0.989 1
1 99 . 6 1 1 A 8 8 PHE CB C 8 39.553 38.800 0.753 1
1 103 . 6 1 1 A 8 8 PHE N N 8 118.754 121.532 -2.778 1
1 104 . 6 1 1 A 9 9 TYR H H 9 8.202 8.355 -0.153 1
1 105 . 6 1 1 A 9 9 TYR HA H 9 3.742 4.068 -0.326 1
1 112 . 6 1 1 A 9 9 TYR C C 9 176.496 177.284 -0.788 1
1 113 . 6 1 1 A 9 9 TYR CA C 9 62.939 61.365 1.574 1
1 114 . 6 1 1 A 9 9 TYR CB C 9 37.941 38.208 -0.267 1
1 117 . 6 1 1 A 9 9 TYR N N 9 117.271 120.266 -2.995 1
1 118 . 6 1 1 A 10 10 GLN H H 10 8.029 8.456 -0.427 1
1 119 . 6 1 1 A 10 10 GLN HA H 10 3.928 3.976 -0.048 1
1 126 . 6 1 1 A 10 10 GLN C C 10 177.393 177.754 -0.361 1
1 127 . 6 1 1 A 10 10 GLN CA C 10 58.717 58.711 0.006 1
1 128 . 6 1 1 A 10 10 GLN CB C 10 28.482 28.176 0.306 1
1 130 . 6 1 1 A 10 10 GLN N N 10 117.935 117.502 0.433 1
1 132 . 6 1 1 A 11 11 TRP H H 11 8.772 8.123 0.649 1
1 133 . 6 1 1 A 11 11 TRP HA H 11 3.690 4.109 -0.419 1
1 142 . 6 1 1 A 11 11 TRP C C 11 178.487 177.559 0.928 1
1 143 . 6 1 1 A 11 11 TRP CA C 11 61.256 60.546 0.710 1
1 144 . 6 1 1 A 11 11 TRP CB C 11 27.472 29.605 -2.133 1
1 150 . 6 1 1 A 11 11 TRP N N 11 121.577 121.775 -0.198 1
1 152 . 6 1 1 A 12 12 TYR H H 12 8.168 7.946 0.222 1
1 153 . 6 1 1 A 12 12 TYR HA H 12 2.938 3.147 -0.209 1
1 160 . 6 1 1 A 12 12 TYR C C 12 177.277 177.036 0.241 1
1 161 . 6 1 1 A 12 12 TYR CA C 12 59.178 60.928 -1.750 1
1 162 . 6 1 1 A 12 12 TYR CB C 12 36.729 37.811 -1.082 1
1 165 . 6 1 1 A 12 12 TYR N N 12 121.811 121.478 0.333 1
1 166 . 6 1 1 A 13 13 GLU H H 13 8.434 8.089 0.345 1
1 167 . 6 1 1 A 13 13 GLU HA H 13 2.996 3.382 -0.386 1
1 172 . 6 1 1 A 13 13 GLU C C 13 177.157 178.318 -1.161 1
1 173 . 6 1 1 A 13 13 GLU CA C 13 59.164 58.558 0.606 1
1 174 . 6 1 1 A 13 13 GLU CB C 13 29.447 29.158 0.289 1
1 176 . 6 1 1 A 13 13 GLU N N 13 123.599 118.633 4.966 1
1 177 . 6 1 1 A 14 14 VAL H H 14 7.605 7.001 0.604 1
1 178 . 6 1 1 A 14 14 VAL HA H 14 3.562 3.767 -0.205 1
1 186 . 6 1 1 A 14 14 VAL C C 14 177.289 176.328 0.961 1
1 187 . 6 1 1 A 14 14 VAL CA C 14 64.338 64.466 -0.128 1
1 188 . 6 1 1 A 14 14 VAL CB C 14 32.669 31.627 1.042 1
1 191 . 6 1 1 A 14 14 VAL N N 14 113.566 119.296 -5.730 1
1 192 . 6 1 1 A 15 15 ASN H H 15 7.482 7.347 0.135 1
1 193 . 6 1 1 A 15 15 ASN HA H 15 4.429 4.592 -0.163 1
1 198 . 6 1 1 A 15 15 ASN C C 15 175.201 176.803 -1.602 1
1 199 . 6 1 1 A 15 15 ASN CA C 15 55.218 54.416 0.802 1
1 200 . 6 1 1 A 15 15 ASN CB C 15 39.927 38.809 1.118 1
1 201 . 6 1 1 A 15 15 ASN N N 15 112.195 119.806 -7.611 1
1 203 . 6 1 1 A 16 16 LYS H H 16 7.413 7.490 -0.077 1
1 204 . 6 1 1 A 16 16 LYS HA H 16 4.338 4.231 0.107 1
1 213 . 6 1 1 A 16 16 LYS C C 16 175.309 177.504 -2.195 1
1 214 . 6 1 1 A 16 16 LYS CA C 16 54.807 55.907 -1.100 1
1 215 . 6 1 1 A 16 16 LYS CB C 16 32.665 33.084 -0.419 1
1 219 . 6 1 1 A 16 16 LYS N N 16 115.814 117.022 -1.208 1
1 220 . 6 1 1 A 17 17 LEU H H 17 7.490 7.285 0.205 1
1 221 . 6 1 1 A 17 17 LEU HA H 17 3.603 3.471 0.132 1
1 231 . 6 1 1 A 17 17 LEU C C 17 173.754 177.733 -3.979 1
1 232 . 6 1 1 A 17 17 LEU CA C 17 59.847 59.495 0.352 1
1 233 . 6 1 1 A 17 17 LEU CB C 17 39.552 39.604 -0.052 1
1 237 . 6 1 1 A 17 17 LEU N N 17 121.586 121.688 -0.102 1
1 238 . 6 1 1 A 18 18 PRO HA H 18 4.107 4.306 -0.199 1
1 245 . 6 1 1 A 18 18 PRO C C 18 176.412 176.030 0.382 1
1 246 . 6 1 1 A 18 18 PRO CA C 18 64.656 63.672 0.984 1
1 247 . 6 1 1 A 18 18 PRO CB C 18 30.980 32.266 -1.286 1
1 250 . 6 1 1 A 19 19 HIS H H 19 7.631 7.771 -0.140 1
1 251 . 6 1 1 A 19 19 HIS HA H 19 4.857 4.623 0.234 1
1 256 . 6 1 1 A 19 19 HIS C C 19 175.822 175.006 0.816 1
1 257 . 6 1 1 A 19 19 HIS CA C 19 55.004 56.347 -1.343 1
1 258 . 6 1 1 A 19 19 HIS CB C 19 32.358 31.754 0.604 1
1 260 . 6 1 1 A 19 19 HIS N N 19 111.190 117.190 -6.000 1
1 263 . 6 1 1 A 20 20 VAL H H 20 7.124 7.526 -0.402 1
1 264 . 6 1 1 A 20 20 VAL HA H 20 4.728 4.249 0.479 1
1 272 . 6 1 1 A 20 20 VAL C C 20 175.497 175.700 -0.203 1
1 273 . 6 1 1 A 20 20 VAL CA C 20 60.134 60.370 -0.236 1
1 274 . 6 1 1 A 20 20 VAL CB C 20 34.199 33.372 0.827 1
1 277 . 6 1 1 A 20 20 VAL N N 20 112.191 115.650 -3.459 1
1 278 . 6 1 1 A 21 21 SER H H 21 8.589 8.717 -0.128 1
1 279 . 6 1 1 A 21 21 SER HA H 21 4.531 4.788 -0.257 1
1 282 . 6 1 1 A 21 21 SER C C 21 174.840 175.821 -0.981 1
1 283 . 6 1 1 A 21 21 SER CA C 21 57.236 56.713 0.523 1
1 284 . 6 1 1 A 21 21 SER CB C 21 65.251 65.970 -0.719 1
1 285 . 6 1 1 A 21 21 SER N N 21 116.825 116.624 0.201 1
1 286 . 6 1 1 A 22 22 GLU H H 22 8.964 9.051 -0.087 1
1 287 . 6 1 1 A 22 22 GLU HA H 22 3.922 4.073 -0.151 1
1 292 . 6 1 1 A 22 22 GLU C C 22 178.606 178.943 -0.337 1
1 293 . 6 1 1 A 22 22 GLU CA C 22 59.837 59.966 -0.129 1
1 294 . 6 1 1 A 22 22 GLU CB C 22 29.239 29.190 0.049 1
1 296 . 6 1 1 A 22 22 GLU N N 22 120.863 121.130 -0.267 1
1 297 . 6 1 1 A 23 23 SER H H 23 8.426 8.092 0.334 1
1 298 . 6 1 1 A 23 23 SER HA H 23 4.151 4.205 -0.054 1
1 301 . 6 1 1 A 23 23 SER C C 23 176.977 176.646 0.331 1
1 302 . 6 1 1 A 23 23 SER CA C 23 61.220 62.344 -1.124 1
1 303 . 6 1 1 A 23 23 SER CB C 23 62.252 63.210 -0.958 1
1 304 . 6 1 1 A 23 23 SER N N 23 112.196 117.130 -4.934 1
1 305 . 6 1 1 A 24 24 THR H H 24 7.749 8.243 -0.494 1
1 306 . 6 1 1 A 24 24 THR HA H 24 4.163 4.327 -0.164 1
1 311 . 6 1 1 A 24 24 THR C C 24 176.523 177.067 -0.544 1
1 312 . 6 1 1 A 24 24 THR CA C 24 66.045 67.149 -1.104 1
1 313 . 6 1 1 A 24 24 THR CB C 24 68.305 68.171 0.134 1
1 315 . 6 1 1 A 24 24 THR N N 24 120.348 118.137 2.211 1
1 316 . 6 1 1 A 25 25 LYS H H 25 8.605 8.316 0.289 1
1 317 . 6 1 1 A 25 25 LYS HA H 25 4.064 3.962 0.102 1
1 326 . 6 1 1 A 25 25 LYS C C 25 178.447 179.725 -1.278 1
1 327 . 6 1 1 A 25 25 LYS CA C 25 61.087 60.310 0.777 1
1 328 . 6 1 1 A 25 25 LYS CB C 25 32.717 32.471 0.246 1
1 332 . 6 1 1 A 25 25 LYS N N 25 123.593 120.534 3.059 1
1 333 . 6 1 1 A 26 26 ARG H H 26 7.485 8.130 -0.645 1
1 334 . 6 1 1 A 26 26 ARG HA H 26 4.146 4.138 0.008 1
1 341 . 6 1 1 A 26 26 ARG C C 26 179.845 179.296 0.549 1
1 342 . 6 1 1 A 26 26 ARG CA C 26 58.916 59.036 -0.120 1
1 343 . 6 1 1 A 26 26 ARG CB C 26 30.384 29.885 0.499 1
1 346 . 6 1 1 A 26 26 ARG N N 26 114.116 119.163 -5.047 1
1 347 . 6 1 1 A 27 27 HIS H H 27 7.677 8.047 -0.370 1
1 348 . 6 1 1 A 27 27 HIS HA H 27 4.757 4.432 0.325 1
1 353 . 6 1 1 A 27 27 HIS C C 27 179.743 177.549 2.194 1
1 354 . 6 1 1 A 27 27 HIS CA C 27 58.659 59.124 -0.465 1
1 355 . 6 1 1 A 27 27 HIS CB C 27 30.967 30.126 0.841 1
1 358 . 6 1 1 A 27 27 HIS N N 27 119.389 118.454 0.935 1
1 361 . 6 1 1 A 28 28 TYR H H 28 8.119 7.994 0.125 1
1 362 . 6 1 1 A 28 28 TYR HA H 28 4.009 4.156 -0.147 1
1 369 . 6 1 1 A 28 28 TYR C C 28 178.685 178.477 0.208 1
1 370 . 6 1 1 A 28 28 TYR CA C 28 63.311 61.723 1.588 1
1 371 . 6 1 1 A 28 28 TYR CB C 28 38.879 37.258 1.621 1
1 374 . 6 1 1 A 28 28 TYR N N 28 121.786 117.300 4.486 1
1 375 . 6 1 1 A 29 29 GLU H H 29 8.631 8.622 0.009 1
1 376 . 6 1 1 A 29 29 GLU HA H 29 4.067 4.068 -0.001 1
1 381 . 6 1 1 A 29 29 GLU C C 29 179.950 179.263 0.687 1
1 382 . 6 1 1 A 29 29 GLU CA C 29 59.827 59.955 -0.128 1
1 383 . 6 1 1 A 29 29 GLU CB C 29 29.172 29.616 -0.444 1
1 385 . 6 1 1 A 29 29 GLU N N 29 119.090 119.884 -0.794 1
1 386 . 6 1 1 A 30 30 SER H H 30 8.307 8.443 -0.136 1
1 387 . 6 1 1 A 30 30 SER HA H 30 4.467 4.238 0.229 1
1 390 . 6 1 1 A 30 30 SER C C 30 177.445 176.358 1.087 1
1 391 . 6 1 1 A 30 30 SER CA C 30 61.068 61.927 -0.859 1
1 392 . 6 1 1 A 30 30 SER CB C 30 63.054 63.100 -0.046 1
1 393 . 6 1 1 A 30 30 SER N N 30 115.027 116.405 -1.378 1
1 394 . 6 1 1 A 31 31 ALA H H 31 8.319 8.175 0.144 1
1 395 . 6 1 1 A 31 31 ALA HA H 31 4.070 4.346 -0.276 1
1 399 . 6 1 1 A 31 31 ALA C C 31 178.488 179.340 -0.852 1
1 400 . 6 1 1 A 31 31 ALA CA C 31 55.926 55.200 0.726 1
1 401 . 6 1 1 A 31 31 ALA CB C 31 18.510 18.678 -0.168 1
1 402 . 6 1 1 A 31 31 ALA N N 31 124.966 123.762 1.204 1
1 403 . 6 1 1 A 32 32 TYR H H 32 8.537 8.699 -0.162 1
1 404 . 6 1 1 A 32 32 TYR HA H 32 4.114 4.333 -0.219 1
1 411 . 6 1 1 A 32 32 TYR C C 32 175.705 178.015 -2.310 1
1 412 . 6 1 1 A 32 32 TYR CA C 32 60.480 62.035 -1.555 1
1 413 . 6 1 1 A 32 32 TYR CB C 32 37.864 38.839 -0.975 1
1 416 . 6 1 1 A 32 32 TYR N N 32 116.814 120.429 -3.615 1
1 417 . 6 1 1 A 33 33 LYS H H 33 7.988 8.051 -0.063 1
1 418 . 6 1 1 A 33 33 LYS HA H 33 3.513 3.941 -0.428 1
1 427 . 6 1 1 A 33 33 LYS C C 33 178.474 179.418 -0.944 1
1 428 . 6 1 1 A 33 33 LYS CA C 33 59.810 59.624 0.186 1
1 429 . 6 1 1 A 33 33 LYS CB C 33 32.000 32.091 -0.091 1
1 433 . 6 1 1 A 33 33 LYS N N 33 119.358 118.614 0.744 1
1 434 . 6 1 1 A 34 34 HIS H H 34 8.187 7.629 0.558 1
1 435 . 6 1 1 A 34 34 HIS HA H 34 4.449 4.592 -0.143 1
1 440 . 6 1 1 A 34 34 HIS C C 34 178.948 178.266 0.682 1
1 441 . 6 1 1 A 34 34 HIS CA C 34 60.883 60.292 0.591 1
1 442 . 6 1 1 A 34 34 HIS CB C 34 28.843 30.485 -1.642 1
1 445 . 6 1 1 A 34 34 HIS N N 34 116.156 118.677 -2.521 1
1 448 . 6 1 1 A 35 35 ILE H H 35 8.676 8.177 0.499 1
1 449 . 6 1 1 A 35 35 ILE HA H 35 3.513 3.573 -0.060 1
1 459 . 6 1 1 A 35 35 ILE C C 35 177.630 178.360 -0.730 1
1 460 . 6 1 1 A 35 35 ILE CA C 35 65.690 65.141 0.549 1
1 461 . 6 1 1 A 35 35 ILE CB C 35 38.481 37.005 1.476 1
1 465 . 6 1 1 A 35 35 ILE N N 35 121.824 120.321 1.503 1
1 466 . 6 1 1 A 36 36 LYS H H 36 8.797 8.372 0.425 1
1 467 . 6 1 1 A 36 36 LYS HA H 36 3.712 3.877 -0.165 1
1 476 . 6 1 1 A 36 36 LYS C C 36 179.397 177.818 1.579 1
1 477 . 6 1 1 A 36 36 LYS CA C 36 59.860 58.786 1.074 1
1 478 . 6 1 1 A 36 36 LYS CB C 36 31.878 31.900 -0.022 1
1 482 . 6 1 1 A 36 36 LYS N N 36 121.589 120.905 0.684 1
1 483 . 6 1 1 A 37 37 ASP H H 37 8.246 7.747 0.499 1
1 484 . 6 1 1 A 37 37 ASP HA H 37 4.336 4.369 -0.033 1
1 487 . 6 1 1 A 37 37 ASP C C 37 177.234 178.187 -0.953 1
1 488 . 6 1 1 A 37 37 ASP CA C 37 56.932 57.178 -0.246 1
1 489 . 6 1 1 A 37 37 ASP CB C 37 40.576 41.395 -0.819 1
1 490 . 6 1 1 A 37 37 ASP N N 37 118.225 119.241 -1.016 1
1 491 . 6 1 1 A 38 38 HIS H H 38 7.867 7.845 0.022 1
1 492 . 6 1 1 A 38 38 HIS HA H 38 4.284 4.358 -0.074 1
1 496 . 6 1 1 A 38 38 HIS C C 38 176.839 175.760 1.079 1
1 497 . 6 1 1 A 38 38 HIS CA C 38 59.389 59.128 0.261 1
1 498 . 6 1 1 A 38 38 HIS CB C 38 31.630 30.835 0.795 1
1 500 . 6 1 1 A 38 38 HIS N N 38 115.487 116.191 -0.704 1
1 501 . 6 1 1 A 39 39 PHE H H 39 9.082 8.194 0.888 1
1 502 . 6 1 1 A 39 39 PHE HA H 39 4.369 4.833 -0.464 1
1 510 . 6 1 1 A 39 39 PHE C C 39 175.890 176.166 -0.276 1
1 511 . 6 1 1 A 39 39 PHE CA C 39 60.159 56.120 4.039 1
1 512 . 6 1 1 A 39 39 PHE CB C 39 38.850 36.934 1.916 1
1 516 . 6 1 1 A 39 39 PHE N N 39 114.327 115.207 -0.880 1
1 517 . 6 1 1 A 40 40 ARG H H 40 8.104 8.041 0.063 1
1 518 . 6 1 1 A 40 40 ARG HA H 40 3.921 4.099 -0.178 1
1 525 . 6 1 1 A 40 40 ARG C C 40 176.892 177.810 -0.918 1
1 526 . 6 1 1 A 40 40 ARG CA C 40 58.009 59.535 -1.526 1
1 527 . 6 1 1 A 40 40 ARG CB C 40 27.531 30.200 -2.669 1
1 530 . 6 1 1 A 40 40 ARG N N 40 118.379 123.175 -4.796 1
1 531 . 6 1 1 A 41 41 HIS H H 41 8.589 8.175 0.414 1
1 532 . 6 1 1 A 41 41 HIS HA H 41 4.910 4.891 0.019 1
1 536 . 6 1 1 A 41 41 HIS C C 41 174.835 174.926 -0.091 1
1 537 . 6 1 1 A 41 41 HIS CA C 41 55.473 55.094 0.379 1
1 538 . 6 1 1 A 41 41 HIS CB C 41 29.720 29.921 -0.201 1
1 540 . 6 1 1 A 41 41 HIS N N 41 123.828 112.733 11.095 1
1 541 . 6 1 1 A 42 42 LYS H H 42 8.326 7.836 0.490 1
1 542 . 6 1 1 A 42 42 LYS HA H 42 4.181 4.589 -0.408 1
1 551 . 6 1 1 A 42 42 LYS C C 42 177.973 176.261 1.712 1
1 552 . 6 1 1 A 42 42 LYS CA C 42 58.201 56.313 1.888 1
1 553 . 6 1 1 A 42 42 LYS CB C 42 33.047 33.762 -0.715 1
1 557 . 6 1 1 A 42 42 LYS N N 42 121.129 121.897 -0.768 1
1 558 . 6 1 1 A 43 43 LEU H H 43 9.243 8.665 0.578 1
1 559 . 6 1 1 A 43 43 LEU HA H 43 4.346 4.471 -0.125 1
1 569 . 6 1 1 A 43 43 LEU C C 43 177.840 178.020 -0.180 1
1 570 . 6 1 1 A 43 43 LEU CA C 43 55.420 54.949 0.471 1
1 571 . 6 1 1 A 43 43 LEU CB C 43 40.936 42.383 -1.447 1
1 575 . 6 1 1 A 43 43 LEU N N 43 124.529 128.052 -3.523 1
1 576 . 6 1 1 A 44 44 LEU H H 44 8.404 9.196 -0.792 1
1 577 . 6 1 1 A 44 44 LEU HA H 44 3.681 4.119 -0.438 1
1 587 . 6 1 1 A 44 44 LEU C C 44 177.962 178.326 -0.364 1
1 588 . 6 1 1 A 44 44 LEU CA C 44 58.773 58.607 0.166 1
1 589 . 6 1 1 A 44 44 LEU CB C 44 42.661 41.179 1.482 1
1 593 . 6 1 1 A 44 44 LEU N N 44 123.643 126.538 -2.895 1
1 594 . 6 1 1 A 45 45 LYS HA H 45 4.126 4.222 -0.096 1
1 603 . 6 1 1 A 45 45 LYS C C 45 175.533 176.799 -1.266 1
1 604 . 6 1 1 A 45 45 LYS CA C 45 57.405 58.446 -1.041 1
1 605 . 6 1 1 A 45 45 LYS CB C 45 31.650 31.802 -0.152 1
1 609 . 6 1 1 A 46 46 ASP H H 46 7.520 7.971 -0.451 1
1 610 . 6 1 1 A 46 46 ASP HA H 46 4.888 4.747 0.141 1
1 613 . 6 1 1 A 46 46 ASP C C 46 175.811 176.345 -0.534 1
1 614 . 6 1 1 A 46 46 ASP CA C 46 54.268 53.419 0.849 1
1 615 . 6 1 1 A 46 46 ASP CB C 46 42.178 40.989 1.189 1
1 616 . 6 1 1 A 46 46 ASP N N 46 118.587 119.118 -0.531 1
1 617 . 6 1 1 A 47 47 ILE H H 47 6.965 7.280 -0.315 1
1 618 . 6 1 1 A 47 47 ILE HA H 47 4.048 3.977 0.071 1
1 628 . 6 1 1 A 47 47 ILE C C 47 175.362 174.899 0.463 1
1 629 . 6 1 1 A 47 47 ILE CA C 47 59.826 60.860 -1.034 1
1 630 . 6 1 1 A 47 47 ILE CB C 47 34.389 36.455 -2.066 1
1 634 . 6 1 1 A 47 47 ILE N N 47 119.126 122.183 -3.057 1
1 635 . 6 1 1 A 48 48 LYS H H 48 8.489 8.292 0.197 1
1 636 . 6 1 1 A 48 48 LYS HA H 48 4.635 4.439 0.196 1
1 645 . 6 1 1 A 48 48 LYS C C 48 177.252 178.471 -1.219 1
1 646 . 6 1 1 A 48 48 LYS CA C 48 54.357 55.655 -1.298 1
1 647 . 6 1 1 A 48 48 LYS CB C 48 34.753 33.343 1.410 1
1 651 . 6 1 1 A 48 48 LYS N N 48 127.892 128.051 -0.159 1
1 652 . 6 1 1 A 49 49 ARG H H 49 8.816 8.890 -0.074 1
1 653 . 6 1 1 A 49 49 ARG HA H 49 4.314 3.998 0.316 1
1 660 . 6 1 1 A 49 49 ARG C C 49 178.464 178.143 0.321 1
1 661 . 6 1 1 A 49 49 ARG CA C 49 60.341 59.707 0.634 1
1 662 . 6 1 1 A 49 49 ARG CB C 49 30.197 29.900 0.297 1
1 665 . 6 1 1 A 49 49 ARG N N 49 122.736 122.970 -0.234 1
1 666 . 6 1 1 A 50 50 THR H H 50 8.269 8.074 0.195 1
1 667 . 6 1 1 A 50 50 THR HA H 50 4.079 4.027 0.052 1
1 672 . 6 1 1 A 50 50 THR C C 50 177.316 176.886 0.430 1
1 673 . 6 1 1 A 50 50 THR CA C 50 65.501 65.764 -0.263 1
1 674 . 6 1 1 A 50 50 THR CB C 50 67.951 68.301 -0.350 1
1 676 . 6 1 1 A 50 50 THR N N 50 110.696 113.559 -2.863 1
1 677 . 6 1 1 A 51 51 GLU H H 51 7.260 8.267 -1.007 1
1 678 . 6 1 1 A 51 51 GLU HA H 51 4.239 4.051 0.188 1
1 683 . 6 1 1 A 51 51 GLU C C 51 179.621 179.228 0.393 1
1 684 . 6 1 1 A 51 51 GLU CA C 51 58.921 59.992 -1.071 1
1 685 . 6 1 1 A 51 51 GLU CB C 51 29.916 29.682 0.234 1
1 687 . 6 1 1 A 51 51 GLU N N 51 121.344 122.257 -0.913 1
1 688 . 6 1 1 A 52 52 TYR H H 52 8.678 8.569 0.109 1
1 689 . 6 1 1 A 52 52 TYR HA H 52 4.376 4.341 0.035 1
1 697 . 6 1 1 A 52 52 TYR C C 52 176.120 177.758 -1.638 1
1 698 . 6 1 1 A 52 52 TYR CA C 52 62.660 61.730 0.930 1
1 699 . 6 1 1 A 52 52 TYR CB C 52 38.206 38.527 -0.321 1
1 702 . 6 1 1 A 52 52 TYR N N 52 122.483 121.529 0.954 1
1 703 . 6 1 1 A 53 53 GLN H H 53 8.801 8.525 0.276 1
1 704 . 6 1 1 A 53 53 GLN HA H 53 3.721 3.720 0.001 1
1 711 . 6 1 1 A 53 53 GLN C C 53 177.894 177.947 -0.053 1
1 712 . 6 1 1 A 53 53 GLN CA C 53 58.111 58.456 -0.345 1
1 713 . 6 1 1 A 53 53 GLN CB C 53 28.909 28.820 0.089 1
1 715 . 6 1 1 A 53 53 GLN N N 53 118.817 118.159 0.658 1
1 717 . 6 1 1 A 54 54 LYS H H 54 7.685 7.968 -0.283 1
1 718 . 6 1 1 A 54 54 LYS HA H 54 4.051 4.093 -0.042 1
1 727 . 6 1 1 A 54 54 LYS C C 54 178.918 178.716 0.202 1
1 728 . 6 1 1 A 54 54 LYS CA C 54 59.845 58.834 1.011 1
1 729 . 6 1 1 A 54 54 LYS CB C 54 32.339 32.102 0.237 1
1 733 . 6 1 1 A 54 54 LYS N N 54 118.629 118.895 -0.266 1
1 734 . 6 1 1 A 55 55 PHE H H 55 7.533 7.943 -0.410 1
1 735 . 6 1 1 A 55 55 PHE HA H 55 3.660 3.929 -0.269 1
1 743 . 6 1 1 A 55 55 PHE C C 55 176.180 176.750 -0.570 1
1 744 . 6 1 1 A 55 55 PHE CA C 55 59.494 61.250 -1.756 1
1 745 . 6 1 1 A 55 55 PHE CB C 55 38.189 39.321 -1.132 1
1 749 . 6 1 1 A 55 55 PHE N N 55 120.449 121.230 -0.781 1
1 750 . 6 1 1 A 56 56 LEU H H 56 8.019 8.295 -0.276 1
1 751 . 6 1 1 A 56 56 LEU HA H 56 3.254 3.555 -0.301 1
1 761 . 6 1 1 A 56 56 LEU C C 56 179.581 179.092 0.489 1
1 762 . 6 1 1 A 56 56 LEU CA C 56 57.366 57.542 -0.176 1
1 763 . 6 1 1 A 56 56 LEU CB C 56 41.462 40.831 0.631 1
1 767 . 6 1 1 A 56 56 LEU N N 56 120.223 119.705 0.518 1
1 768 . 6 1 1 A 57 57 ASN H H 57 8.427 8.981 -0.554 1
1 769 . 6 1 1 A 57 57 ASN HA H 57 4.324 4.408 -0.084 1
1 774 . 6 1 1 A 57 57 ASN C C 57 178.105 177.819 0.286 1
1 775 . 6 1 1 A 57 57 ASN CA C 57 55.194 56.480 -1.286 1
1 776 . 6 1 1 A 57 57 ASN CB C 57 36.948 37.699 -0.751 1
1 777 . 6 1 1 A 57 57 ASN N N 57 118.422 118.378 0.044 1
1 779 . 6 1 1 A 58 58 GLU H H 58 7.873 7.764 0.109 1
1 780 . 6 1 1 A 58 58 GLU HA H 58 4.063 4.049 0.014 1
1 785 . 6 1 1 A 58 58 GLU C C 58 179.660 178.553 1.107 1
1 786 . 6 1 1 A 58 58 GLU CA C 58 59.064 59.254 -0.190 1
1 787 . 6 1 1 A 58 58 GLU CB C 58 29.592 29.357 0.235 1
1 789 . 6 1 1 A 58 58 GLU N N 58 121.129 119.742 1.387 1
1 790 . 6 1 1 A 59 59 TYR H H 59 8.638 7.670 0.968 1
1 791 . 6 1 1 A 59 59 TYR HA H 59 3.949 3.912 0.037 1
1 798 . 6 1 1 A 59 59 TYR C C 59 179.907 178.140 1.767 1
1 799 . 6 1 1 A 59 59 TYR CA C 59 61.870 60.895 0.975 1
1 800 . 6 1 1 A 59 59 TYR CB C 59 38.156 38.001 0.155 1
1 803 . 6 1 1 A 59 59 TYR N N 59 124.461 120.738 3.723 1
1 804 . 6 1 1 A 60 60 GLY H H 60 8.925 8.647 0.278 1
1 805 . 6 1 1 A 60 60 GLY HA2 H 60 3.947 3.938 0.009 1
1 806 . 6 1 1 A 60 60 GLY HA3 H 60 4.175 3.941 0.234 1
1 807 . 6 1 1 A 60 60 GLY C C 60 173.294 174.783 -1.489 1
1 808 . 6 1 1 A 60 60 GLY CA C 60 46.424 45.938 0.486 1
1 809 . 6 1 1 A 60 60 GLY N N 60 107.578 106.190 1.388 1
1 810 . 6 1 1 A 61 61 LEU H H 61 7.448 7.419 0.029 1
1 811 . 6 1 1 A 61 61 LEU HA H 61 4.238 4.331 -0.093 1
1 821 . 6 1 1 A 61 61 LEU C C 61 179.159 177.909 1.250 1
1 822 . 6 1 1 A 61 61 LEU CA C 61 57.274 55.586 1.688 1
1 823 . 6 1 1 A 61 61 LEU CB C 61 42.304 42.229 0.075 1
1 827 . 6 1 1 A 61 61 LEU N N 61 118.202 120.337 -2.135 1
1 828 . 6 1 1 A 62 62 THR H H 62 6.974 7.354 -0.380 1
1 829 . 6 1 1 A 62 62 THR HA H 62 4.385 4.474 -0.089 1
1 834 . 6 1 1 A 62 62 THR C C 62 173.170 174.131 -0.961 1
1 835 . 6 1 1 A 62 62 THR CA C 62 59.813 62.020 -2.207 1
1 836 . 6 1 1 A 62 62 THR CB C 62 69.697 70.345 -0.648 1
1 838 . 6 1 1 A 62 62 THR N N 62 101.223 106.288 -5.065 1
1 839 . 6 1 1 A 63 63 HIS H H 63 7.041 8.075 -1.034 1
1 840 . 6 1 1 A 63 63 HIS HA H 63 4.861 4.871 -0.010 1
1 845 . 6 1 1 A 63 63 HIS C C 63 172.567 175.056 -2.489 1
1 846 . 6 1 1 A 63 63 HIS CA C 63 55.522 54.819 0.703 1
1 847 . 6 1 1 A 63 63 HIS CB C 63 32.328 32.287 0.041 1
1 850 . 6 1 1 A 63 63 HIS N N 63 116.818 119.491 -2.673 1
1 853 . 6 1 1 A 64 64 SER H H 64 8.717 9.055 -0.338 1
1 854 . 6 1 1 A 64 64 SER HA H 64 4.582 4.560 0.022 1
1 857 . 6 1 1 A 64 64 SER C C 64 174.545 175.556 -1.011 1
1 858 . 6 1 1 A 64 64 SER CA C 64 57.169 57.978 -0.809 1
1 859 . 6 1 1 A 64 64 SER CB C 64 65.484 64.646 0.838 1
1 860 . 6 1 1 A 64 64 SER N N 64 116.128 116.639 -0.511 1
1 861 . 6 1 1 A 65 65 TYR H H 65 9.054 9.032 0.022 1
1 862 . 6 1 1 A 65 65 TYR HA H 65 4.059 4.127 -0.068 1
1 869 . 6 1 1 A 65 65 TYR C C 65 176.918 177.659 -0.741 1
1 870 . 6 1 1 A 65 65 TYR CA C 65 61.906 62.366 -0.460 1
1 871 . 6 1 1 A 65 65 TYR CB C 65 38.185 38.531 -0.346 1
1 874 . 6 1 1 A 65 65 TYR N N 65 121.679 124.104 -2.425 1
1 875 . 6 1 1 A 66 66 GLU H H 66 8.965 8.277 0.688 1
1 876 . 6 1 1 A 66 66 GLU HA H 66 3.888 3.889 -0.001 1
1 881 . 6 1 1 A 66 66 GLU C C 66 178.764 179.104 -0.340 1
1 882 . 6 1 1 A 66 66 GLU CA C 66 59.329 59.132 0.197 1
1 883 . 6 1 1 A 66 66 GLU CB C 66 28.874 29.442 -0.568 1
1 885 . 6 1 1 A 66 66 GLU N N 66 117.723 120.087 -2.364 1
1 886 . 6 1 1 A 67 67 THR H H 67 7.626 8.123 -0.497 1
1 887 . 6 1 1 A 67 67 THR HA H 67 3.864 4.038 -0.174 1
1 892 . 6 1 1 A 67 67 THR C C 67 176.681 176.449 0.232 1
1 893 . 6 1 1 A 67 67 THR CA C 67 66.368 67.279 -0.911 1
1 894 . 6 1 1 A 67 67 THR CB C 67 68.290 68.761 -0.471 1
1 896 . 6 1 1 A 67 67 THR N N 67 116.084 116.841 -0.757 1
1 897 . 6 1 1 A 68 68 ILE H H 68 8.324 7.913 0.411 1
1 898 . 6 1 1 A 68 68 ILE HA H 68 3.686 3.727 -0.041 1
1 908 . 6 1 1 A 68 68 ILE C C 68 176.527 177.313 -0.786 1
1 909 . 6 1 1 A 68 68 ILE CA C 68 65.205 62.740 2.465 1
1 910 . 6 1 1 A 68 68 ILE CB C 68 38.355 37.668 0.687 1
1 914 . 6 1 1 A 68 68 ILE N N 68 123.174 120.566 2.608 1
1 915 . 6 1 1 A 69 69 ARG H H 69 8.407 8.161 0.246 1
1 916 . 6 1 1 A 69 69 ARG HA H 69 3.673 3.639 0.034 1
1 923 . 6 1 1 A 69 69 ARG C C 69 179.687 178.727 0.960 1
1 924 . 6 1 1 A 69 69 ARG CA C 69 59.577 59.640 -0.063 1
1 925 . 6 1 1 A 69 69 ARG CB C 69 29.560 29.569 -0.009 1
1 928 . 6 1 1 A 69 69 ARG N N 69 121.358 121.732 -0.374 1
1 929 . 6 1 1 A 70 70 LYS H H 70 7.562 8.055 -0.493 1
1 930 . 6 1 1 A 70 70 LYS HA H 70 3.617 3.676 -0.059 1
1 939 . 6 1 1 A 70 70 LYS C C 70 177.129 178.366 -1.237 1
1 940 . 6 1 1 A 70 70 LYS CA C 70 59.380 58.968 0.412 1
1 941 . 6 1 1 A 70 70 LYS CB C 70 31.978 31.938 0.040 1
1 945 . 6 1 1 A 70 70 LYS N N 70 120.218 118.145 2.073 1
1 946 . 6 1 1 A 71 71 LEU H H 71 7.640 7.903 -0.263 1
1 947 . 6 1 1 A 71 71 LEU HA H 71 3.629 3.797 -0.168 1
1 957 . 6 1 1 A 71 71 LEU C C 71 178.157 178.307 -0.150 1
1 958 . 6 1 1 A 71 71 LEU CA C 71 58.477 58.144 0.333 1
1 959 . 6 1 1 A 71 71 LEU CB C 71 41.262 41.350 -0.088 1
1 963 . 6 1 1 A 71 71 LEU N N 71 119.991 121.268 -1.277 1
1 964 . 6 1 1 A 72 72 ASN H H 72 8.474 8.444 0.030 1
1 965 . 6 1 1 A 72 72 ASN HA H 72 4.485 5.008 -0.523 1
1 970 . 6 1 1 A 72 72 ASN C C 72 176.285 177.515 -1.230 1
1 971 . 6 1 1 A 72 72 ASN CA C 72 56.424 56.679 -0.255 1
1 972 . 6 1 1 A 72 72 ASN CB C 72 39.544 39.699 -0.155 1
1 973 . 6 1 1 A 72 72 ASN N N 72 114.097 117.516 -3.419 1
1 975 . 6 1 1 A 73 73 SER H H 73 7.878 7.793 0.085 1
1 976 . 6 1 1 A 73 73 SER HA H 73 4.177 4.210 -0.033 1
1 979 . 6 1 1 A 73 73 SER C C 73 176.734 176.950 -0.216 1
1 980 . 6 1 1 A 73 73 SER CA C 73 61.741 61.205 0.536 1
1 981 . 6 1 1 A 73 73 SER CB C 73 62.573 62.941 -0.368 1
1 982 . 6 1 1 A 73 73 SER N N 73 115.022 114.006 1.016 1
1 983 . 6 1 1 A 74 74 TYR H H 74 8.078 8.086 -0.008 1
1 984 . 6 1 1 A 74 74 TYR HA H 74 5.168 4.737 0.431 1
1 991 . 6 1 1 A 74 74 TYR C C 74 178.436 178.446 -0.010 1
1 992 . 6 1 1 A 74 74 TYR CA C 74 58.023 60.999 -2.976 1
1 993 . 6 1 1 A 74 74 TYR CB C 74 37.835 38.727 -0.892 1
1 996 . 6 1 1 A 74 74 TYR N N 74 122.937 118.396 4.541 1
1 997 . 6 1 1 A 75 75 ILE H H 75 8.264 8.650 -0.386 1
1 998 . 6 1 1 A 75 75 ILE HA H 75 3.647 3.837 -0.190 1
1 1008 . 6 1 1 A 75 75 ILE C C 75 177.656 178.003 -0.347 1
1 1009 . 6 1 1 A 75 75 ILE CA C 75 66.349 65.892 0.457 1
1 1010 . 6 1 1 A 75 75 ILE CB C 75 37.494 38.049 -0.555 1
1 1014 . 6 1 1 A 75 75 ILE N N 75 119.080 120.364 -1.284 1
1 1015 . 6 1 1 A 76 76 ARG H H 76 9.316 8.453 0.863 1
1 1016 . 6 1 1 A 76 76 ARG HA H 76 3.896 3.921 -0.025 1
1 1024 . 6 1 1 A 76 76 ARG C C 76 179.033 178.968 0.065 1
1 1025 . 6 1 1 A 76 76 ARG CA C 76 60.536 60.092 0.444 1
1 1026 . 6 1 1 A 76 76 ARG CB C 76 30.238 30.562 -0.324 1
1 1029 . 6 1 1 A 76 76 ARG N N 76 121.985 121.105 0.880 1
1 1031 . 6 1 1 A 77 77 ASN H H 77 8.003 8.648 -0.645 1
1 1032 . 6 1 1 A 77 77 ASN HA H 77 4.605 4.501 0.104 1
1 1037 . 6 1 1 A 77 77 ASN C C 77 177.146 177.546 -0.400 1
1 1038 . 6 1 1 A 77 77 ASN CA C 77 55.755 56.252 -0.497 1
1 1039 . 6 1 1 A 77 77 ASN CB C 77 38.857 38.100 0.757 1
1 1040 . 6 1 1 A 77 77 ASN N N 77 117.750 117.574 0.176 1
1 1042 . 6 1 1 A 78 78 ALA H H 78 8.082 7.587 0.495 1
1 1043 . 6 1 1 A 78 78 ALA HA H 78 2.351 2.859 -0.508 1
1 1047 . 6 1 1 A 78 78 ALA C C 78 181.084 179.401 1.683 1
1 1048 . 6 1 1 A 78 78 ALA CA C 78 54.703 54.378 0.325 1
1 1049 . 6 1 1 A 78 78 ALA CB C 78 16.121 17.868 -1.747 1
1 1050 . 6 1 1 A 78 78 ALA N N 78 124.770 122.921 1.849 1
1 1051 . 6 1 1 A 79 79 PHE H H 79 8.603 8.007 0.596 1
1 1052 . 6 1 1 A 79 79 PHE HA H 79 3.974 4.199 -0.225 1
1 1060 . 6 1 1 A 79 79 PHE C C 79 177.841 177.824 0.017 1
1 1061 . 6 1 1 A 79 79 PHE CA C 79 63.302 61.825 1.477 1
1 1062 . 6 1 1 A 79 79 PHE CB C 79 40.594 38.619 1.975 1
1 1066 . 6 1 1 A 79 79 PHE N N 79 116.847 115.643 1.204 1
1 1067 . 6 1 1 A 80 80 ASP H H 80 8.298 8.679 -0.381 1
1 1068 . 6 1 1 A 80 80 ASP HA H 80 4.620 4.359 0.261 1
1 1071 . 6 1 1 A 80 80 ASP C C 80 179.845 178.156 1.689 1
1 1072 . 6 1 1 A 80 80 ASP CA C 80 57.957 57.952 0.005 1
1 1073 . 6 1 1 A 80 80 ASP CB C 80 39.595 41.515 -1.920 1
1 1074 . 6 1 1 A 80 80 ASP N N 80 121.362 120.040 1.322 1
1 1075 . 6 1 1 A 81 81 ASP H H 81 8.051 8.448 -0.397 1
1 1076 . 6 1 1 A 81 81 ASP HA H 81 4.724 4.383 0.341 1
1 1079 . 6 1 1 A 81 81 ASP C C 81 177.963 178.156 -0.193 1
1 1080 . 6 1 1 A 81 81 ASP CA C 81 57.537 57.953 -0.416 1
1 1081 . 6 1 1 A 81 81 ASP CB C 81 39.463 41.805 -2.342 1
1 1082 . 6 1 1 A 81 81 ASP N N 81 122.166 119.485 2.681 1
1 1083 . 6 1 1 A 82 82 ALA H H 82 8.025 7.980 0.045 1
1 1084 . 6 1 1 A 82 82 ALA HA H 82 4.106 4.301 -0.195 1
1 1088 . 6 1 1 A 82 82 ALA C C 82 180.223 179.804 0.419 1
1 1089 . 6 1 1 A 82 82 ALA CA C 82 55.194 55.236 -0.042 1
1 1090 . 6 1 1 A 82 82 ALA CB C 82 17.947 18.405 -0.458 1
1 1091 . 6 1 1 A 82 82 ALA N N 82 124.747 121.407 3.340 1
1 1092 . 6 1 1 A 83 83 ILE H H 83 8.327 8.650 -0.323 1
1 1093 . 6 1 1 A 83 83 ILE HA H 83 4.235 4.172 0.063 1
1 1103 . 6 1 1 A 83 83 ILE C C 83 180.768 177.744 3.024 1
1 1104 . 6 1 1 A 83 83 ILE CA C 83 63.966 63.880 0.086 1
1 1105 . 6 1 1 A 83 83 ILE CB C 83 38.254 37.803 0.451 1
1 1109 . 6 1 1 A 83 83 ILE N N 83 120.907 118.762 2.145 1
1 1110 . 6 1 1 A 84 84 HIS H H 84 7.934 8.283 -0.349 1
1 1111 . 6 1 1 A 84 84 HIS HA H 84 4.434 4.150 0.284 1
1 1116 . 6 1 1 A 84 84 HIS C C 84 178.250 176.366 1.884 1
1 1117 . 6 1 1 A 84 84 HIS CA C 84 59.042 59.513 -0.471 1
1 1118 . 6 1 1 A 84 84 HIS CB C 84 28.750 29.919 -1.169 1
1 1121 . 6 1 1 A 84 84 HIS N N 84 121.346 121.237 0.109 1
1 1124 . 6 1 1 A 85 85 GLU H H 85 8.074 7.878 0.196 1
1 1125 . 6 1 1 A 85 85 GLU HA H 85 4.192 4.360 -0.168 1
1 1130 . 6 1 1 A 85 85 GLU C C 85 176.510 176.967 -0.457 1
1 1131 . 6 1 1 A 85 85 GLU CA C 85 56.512 56.300 0.212 1
1 1132 . 6 1 1 A 85 85 GLU CB C 85 30.284 30.501 -0.217 1
1 1134 . 6 1 1 A 85 85 GLU N N 85 115.467 115.897 -0.430 1
1 1135 . 6 1 1 A 86 86 GLY H H 86 7.715 7.823 -0.108 1
1 1136 . 6 1 1 A 86 86 GLY HA2 H 86 3.844 3.965 -0.121 1
1 1137 . 6 1 1 A 86 86 GLY HA3 H 86 4.136 3.978 0.158 1
1 1138 . 6 1 1 A 86 86 GLY C C 86 175.243 174.457 0.786 1
1 1139 . 6 1 1 A 86 86 GLY CA C 86 45.108 45.924 -0.816 1
1 1140 . 6 1 1 A 86 86 GLY N N 86 105.999 108.349 -2.350 1
1 1141 . 6 1 1 A 87 87 TYR H H 87 8.173 8.543 -0.370 1
1 1142 . 6 1 1 A 87 87 TYR HA H 87 4.396 4.239 0.157 1
1 1149 . 6 1 1 A 87 87 TYR CA C 87 59.317 60.754 -1.437 1
1 1150 . 6 1 1 A 87 87 TYR CB C 87 39.558 40.043 -0.485 1
1 1153 . 6 1 1 A 87 87 TYR N N 87 118.412 121.435 -3.023 1
1 1154 . 6 1 1 A 88 88 VAL HA H 88 4.583 4.692 -0.109 1
1 1162 . 6 1 1 A 88 88 VAL CB C 88 36.112 36.277 -0.165 1
1 1165 . 6 1 1 A 89 89 ILE HA H 89 4.426 4.458 -0.032 1
1 1175 . 6 1 1 A 89 89 ILE CA C 89 61.984 60.371 1.613 1
1 1176 . 6 1 1 A 89 89 ILE CB C 89 39.850 39.302 0.548 1
1 1180 . 6 1 1 A 90 90 LYS H H 90 7.387 7.566 -0.179 1
1 1181 . 6 1 1 A 90 90 LYS HA H 90 4.508 4.535 -0.027 1
1 1190 . 6 1 1 A 90 90 LYS C C 90 174.665 175.452 -0.787 1
1 1191 . 6 1 1 A 90 90 LYS CA C 90 54.111 55.637 -1.526 1
1 1192 . 6 1 1 A 90 90 LYS CB C 90 35.086 33.654 1.432 1
1 1196 . 6 1 1 A 91 91 ASN H H 91 8.803 8.649 0.154 1
1 1197 . 6 1 1 A 91 91 ASN HA H 91 4.279 5.128 -0.849 1
1 1202 . 6 1 1 A 91 91 ASN CB C 91 38.879 39.660 -0.781 1
1 1203 . 6 1 1 A 91 91 ASN N N 91 120.903 123.147 -2.244 1
1 1205 . 6 1 1 A 92 92 PRO HA H 92 4.206 4.385 -0.179 1
1 1212 . 6 1 1 A 92 92 PRO C C 92 174.751 177.080 -2.329 1
1 1213 . 6 1 1 A 92 92 PRO CA C 92 63.927 63.556 0.371 1
1 1214 . 6 1 1 A 92 92 PRO CB C 92 30.969 32.401 -1.432 1
1 1217 . 6 1 1 A 93 93 THR H H 93 7.441 7.904 -0.463 1
1 1218 . 6 1 1 A 93 93 THR HA H 93 4.093 4.411 -0.318 1
1 1224 . 6 1 1 A 93 93 THR C C 93 175.922 176.176 -0.254 1
1 1225 . 6 1 1 A 93 93 THR CA C 93 62.221 63.613 -1.392 1
1 1226 . 6 1 1 A 93 93 THR CB C 93 69.463 68.680 0.783 1
1 1228 . 6 1 1 A 93 93 THR N N 93 105.991 112.278 -6.287 1
1 1229 . 6 1 1 A 94 94 TYR H H 94 7.139 8.262 -1.123 1
1 1230 . 6 1 1 A 94 94 TYR HA H 94 4.393 4.049 0.344 1
1 1237 . 6 1 1 A 94 94 TYR C C 94 176.180 178.411 -2.231 1
1 1238 . 6 1 1 A 94 94 TYR CA C 94 58.272 61.563 -3.291 1
1 1239 . 6 1 1 A 94 94 TYR CB C 94 37.490 38.725 -1.235 1
1 1242 . 6 1 1 A 94 94 TYR N N 94 124.098 124.253 -0.155 1
1 1243 . 6 1 1 A 95 95 LYS H H 95 8.904 7.868 1.036 1
1 1244 . 6 1 1 A 95 95 LYS HA H 95 3.758 3.952 -0.194 1
1 1253 . 6 1 1 A 95 95 LYS C C 95 175.547 176.884 -1.337 1
1 1254 . 6 1 1 A 95 95 LYS CA C 95 57.078 56.777 0.301 1
1 1255 . 6 1 1 A 95 95 LYS CB C 95 29.962 32.639 -2.677 1
1 1259 . 6 1 1 A 95 95 LYS N N 95 121.317 119.890 1.427 1
1 1260 . 6 1 1 A 96 96 ALA H H 96 7.583 7.410 0.173 1
1 1261 . 6 1 1 A 96 96 ALA HA H 96 4.157 4.676 -0.519 1
1 1265 . 6 1 1 A 96 96 ALA C C 96 177.630 176.498 1.132 1
1 1266 . 6 1 1 A 96 96 ALA CA C 96 53.298 51.748 1.550 1
1 1267 . 6 1 1 A 96 96 ALA CB C 96 18.807 18.714 0.093 1
1 1268 . 6 1 1 A 96 96 ALA N N 96 121.832 122.912 -1.080 1
1 1269 . 6 1 1 A 97 97 GLU H H 97 9.243 8.288 0.955 1
1 1270 . 6 1 1 A 97 97 GLU HA H 97 4.347 4.704 -0.357 1
1 1275 . 6 1 1 A 97 97 GLU C C 97 175.890 175.646 0.244 1
1 1276 . 6 1 1 A 97 97 GLU CA C 97 55.198 55.534 -0.336 1
1 1277 . 6 1 1 A 97 97 GLU CB C 97 30.931 30.420 0.511 1
1 1279 . 6 1 1 A 97 97 GLU N N 97 121.989 122.516 -0.527 1
1 1280 . 6 1 1 A 98 98 LEU H H 98 8.401 8.990 -0.589 1
1 1281 . 6 1 1 A 98 98 LEU HA H 98 4.277 4.509 -0.232 1
1 1291 . 6 1 1 A 98 98 LEU C C 98 175.738 175.204 0.534 1
1 1292 . 6 1 1 A 98 98 LEU CA C 98 54.337 54.428 -0.091 1
1 1293 . 6 1 1 A 98 98 LEU CB C 98 41.634 40.391 1.243 1
1 1297 . 6 1 1 A 98 98 LEU N N 98 123.414 126.854 -3.440 1
1 1298 . 6 1 1 A 99 99 HIS H H 99 8.749 8.893 -0.144 1
1 1299 . 6 1 1 A 99 99 HIS HA H 99 4.706 5.067 -0.361 1
1 1304 . 6 1 1 A 99 99 HIS C C 99 173.912 173.518 0.394 1
1 1305 . 6 1 1 A 99 99 HIS CA C 99 55.183 54.224 0.959 1
1 1306 . 6 1 1 A 99 99 HIS CB C 99 29.916 31.045 -1.129 1
1 1309 . 6 1 1 A 99 99 HIS N N 99 121.129 125.235 -4.106 1
1 1312 . 6 1 1 A 100 100 ALA H H 100 8.369 8.540 -0.171 1
1 1313 . 6 1 1 A 100 100 ALA HA H 100 4.518 4.353 0.165 1
1 1317 . 6 1 1 A 100 100 ALA C C 100 177.533 177.479 0.054 1
1 1318 . 6 1 1 A 100 100 ALA CA C 100 51.753 50.683 1.070 1
1 1319 . 6 1 1 A 100 100 ALA CB C 100 20.081 18.968 1.113 1
1 1320 . 6 1 1 A 100 100 ALA N N 100 125.646 130.608 -4.962 1
1 1321 . 6 1 1 A 101 101 SER H H 101 8.357 8.371 -0.014 1
1 1322 . 6 1 1 A 101 101 SER HA H 101 4.452 4.040 0.412 1
1 1325 . 6 1 1 A 101 101 SER C C 101 174.729 176.361 -1.632 1
1 1326 . 6 1 1 A 101 101 SER CA C 101 58.781 61.159 -2.378 1
1 1327 . 6 1 1 A 101 101 SER CB C 101 63.865 62.853 1.012 1
1 1328 . 6 1 1 A 101 101 SER N N 101 115.505 120.287 -4.782 1
1 1329 . 6 1 1 A 102 102 VAL H H 102 7.884 6.958 0.926 1
1 1330 . 6 1 1 A 102 102 VAL HA H 102 4.111 3.810 0.301 1
1 1338 . 6 1 1 A 102 102 VAL C C 102 175.837 177.045 -1.208 1
1 1339 . 6 1 1 A 102 102 VAL CA C 102 62.237 66.209 -3.972 1
1 1340 . 6 1 1 A 102 102 VAL CB C 102 32.336 31.860 0.476 1
1 1343 . 6 1 1 A 102 102 VAL N N 102 120.880 120.942 -0.062 1
1 1344 . 6 1 1 A 103 103 LEU H H 103 8.170 7.220 0.950 1
1 1345 . 6 1 1 A 103 103 LEU HA H 103 4.299 4.598 -0.299 1
1 1355 . 6 1 1 A 103 103 LEU C C 103 177.129 176.461 0.668 1
1 1356 . 6 1 1 A 103 103 LEU CA C 103 54.999 53.560 1.439 1
1 1357 . 6 1 1 A 103 103 LEU CB C 103 42.276 42.291 -0.015 1
1 1361 . 6 1 1 A 103 103 LEU N N 103 124.757 112.268 12.489 1
1 1362 . 6 1 1 A 104 104 GLU H H 104 8.244 7.646 0.598 1
1 1363 . 6 1 1 A 104 104 GLU HA H 104 4.175 4.372 -0.197 1
1 1368 . 6 1 1 A 104 104 GLU C C 104 176.153 175.281 0.872 1
1 1369 . 6 1 1 A 104 104 GLU CA C 104 56.413 56.247 0.166 1
1 1370 . 6 1 1 A 104 104 GLU CB C 104 30.270 30.039 0.231 1
1 1372 . 6 1 1 A 104 104 GLU N N 104 121.146 121.882 -0.736 1
1 1373 . 6 1 1 A 105 105 HIS H H 105 8.242 8.939 -0.697 1
1 1376 . 6 1 1 A 105 105 HIS C C 105 174.967 175.096 -0.129 1
1 1377 . 6 1 1 A 105 105 HIS CA C 105 56.137 54.758 1.379 1
1 1378 . 6 1 1 A 105 105 HIS CB C 105 30.290 32.041 -1.751 1
1 13 . 7 1 1 A 2 2 ILE HA H 2 4.615 4.408 0.207 1
1 23 . 7 1 1 A 2 2 ILE C C 2 175.630 175.555 0.075 1
1 24 . 7 1 1 A 2 2 ILE CA C 2 60.619 61.698 -1.079 1
1 25 . 7 1 1 A 2 2 ILE CB C 2 40.542 39.344 1.198 1
1 29 . 7 1 1 A 3 3 THR H H 3 9.133 8.444 0.689 1
1 30 . 7 1 1 A 3 3 THR HA H 3 4.656 4.669 -0.013 1
1 36 . 7 1 1 A 3 3 THR C C 3 174.729 175.616 -0.887 1
1 37 . 7 1 1 A 3 3 THR CA C 3 61.509 61.383 0.126 1
1 38 . 7 1 1 A 3 3 THR CB C 3 69.896 70.503 -0.607 1
1 40 . 7 1 1 A 3 3 THR N N 3 119.091 118.082 1.009 1
1 41 . 7 1 1 A 4 4 PHE H H 4 8.642 9.642 -1.000 1
1 42 . 7 1 1 A 4 4 PHE HA H 4 4.576 4.134 0.442 1
1 50 . 7 1 1 A 4 4 PHE C C 4 176.302 177.392 -1.090 1
1 51 . 7 1 1 A 4 4 PHE CA C 4 58.368 62.688 -4.320 1
1 52 . 7 1 1 A 4 4 PHE CB C 4 37.526 39.289 -1.763 1
1 56 . 7 1 1 A 4 4 PHE N N 4 122.510 122.950 -0.440 1
1 57 . 7 1 1 A 5 5 ALA H H 5 9.195 8.419 0.776 1
1 58 . 7 1 1 A 5 5 ALA HA H 5 3.692 4.027 -0.335 1
1 62 . 7 1 1 A 5 5 ALA C C 5 178.210 180.386 -2.176 1
1 63 . 7 1 1 A 5 5 ALA CA C 5 56.073 55.368 0.705 1
1 64 . 7 1 1 A 5 5 ALA CB C 5 17.897 18.403 -0.506 1
1 65 . 7 1 1 A 5 5 ALA N N 5 120.106 121.335 -1.229 1
1 66 . 7 1 1 A 6 6 ASP H H 6 7.978 8.362 -0.384 1
1 67 . 7 1 1 A 6 6 ASP HA H 6 4.615 4.718 -0.103 1
1 70 . 7 1 1 A 6 6 ASP C C 6 179.370 178.450 0.920 1
1 71 . 7 1 1 A 6 6 ASP CA C 6 57.369 57.172 0.197 1
1 72 . 7 1 1 A 6 6 ASP CB C 6 39.556 40.746 -1.190 1
1 73 . 7 1 1 A 6 6 ASP N N 6 115.486 118.451 -2.965 1
1 74 . 7 1 1 A 7 7 TYR H H 7 8.776 8.458 0.318 1
1 75 . 7 1 1 A 7 7 TYR HA H 7 3.984 4.368 -0.384 1
1 82 . 7 1 1 A 7 7 TYR C C 7 176.232 177.670 -1.438 1
1 83 . 7 1 1 A 7 7 TYR CA C 7 62.241 61.666 0.575 1
1 84 . 7 1 1 A 7 7 TYR CB C 7 38.521 38.571 -0.050 1
1 87 . 7 1 1 A 7 7 TYR N N 7 120.885 123.469 -2.584 1
1 88 . 7 1 1 A 8 8 PHE H H 8 9.024 8.380 0.644 1
1 89 . 7 1 1 A 8 8 PHE HA H 8 3.732 4.246 -0.514 1
1 97 . 7 1 1 A 8 8 PHE C C 8 176.261 176.918 -0.657 1
1 98 . 7 1 1 A 8 8 PHE CA C 8 62.936 62.029 0.907 1
1 99 . 7 1 1 A 8 8 PHE CB C 8 39.553 38.859 0.694 1
1 103 . 7 1 1 A 8 8 PHE N N 8 118.754 121.128 -2.374 1
1 104 . 7 1 1 A 9 9 TYR H H 9 8.202 8.245 -0.043 1
1 105 . 7 1 1 A 9 9 TYR HA H 9 3.742 4.040 -0.298 1
1 112 . 7 1 1 A 9 9 TYR C C 9 176.496 177.139 -0.643 1
1 113 . 7 1 1 A 9 9 TYR CA C 9 62.939 61.365 1.574 1
1 114 . 7 1 1 A 9 9 TYR CB C 9 37.941 38.036 -0.095 1
1 117 . 7 1 1 A 9 9 TYR N N 9 117.271 120.392 -3.121 1
1 118 . 7 1 1 A 10 10 GLN H H 10 8.029 8.072 -0.043 1
1 119 . 7 1 1 A 10 10 GLN HA H 10 3.928 3.970 -0.042 1
1 126 . 7 1 1 A 10 10 GLN C C 10 177.393 177.720 -0.327 1
1 127 . 7 1 1 A 10 10 GLN CA C 10 58.717 58.466 0.251 1
1 128 . 7 1 1 A 10 10 GLN CB C 10 28.482 28.757 -0.275 1
1 130 . 7 1 1 A 10 10 GLN N N 10 117.935 117.966 -0.031 1
1 132 . 7 1 1 A 11 11 TRP H H 11 8.772 8.246 0.526 1
1 133 . 7 1 1 A 11 11 TRP HA H 11 3.690 4.102 -0.412 1
1 142 . 7 1 1 A 11 11 TRP C C 11 178.487 177.530 0.957 1
1 143 . 7 1 1 A 11 11 TRP CA C 11 61.256 60.536 0.720 1
1 144 . 7 1 1 A 11 11 TRP CB C 11 27.472 29.193 -1.721 1
1 150 . 7 1 1 A 11 11 TRP N N 11 121.577 121.875 -0.298 1
1 152 . 7 1 1 A 12 12 TYR H H 12 8.168 7.912 0.256 1
1 153 . 7 1 1 A 12 12 TYR HA H 12 2.938 3.047 -0.109 1
1 160 . 7 1 1 A 12 12 TYR C C 12 177.277 177.069 0.208 1
1 161 . 7 1 1 A 12 12 TYR CA C 12 59.178 60.608 -1.430 1
1 162 . 7 1 1 A 12 12 TYR CB C 12 36.729 37.818 -1.089 1
1 165 . 7 1 1 A 12 12 TYR N N 12 121.811 121.056 0.755 1
1 166 . 7 1 1 A 13 13 GLU H H 13 8.434 8.303 0.131 1
1 167 . 7 1 1 A 13 13 GLU HA H 13 2.996 3.282 -0.286 1
1 172 . 7 1 1 A 13 13 GLU C C 13 177.157 178.601 -1.444 1
1 173 . 7 1 1 A 13 13 GLU CA C 13 59.164 58.617 0.547 1
1 174 . 7 1 1 A 13 13 GLU CB C 13 29.447 28.839 0.608 1
1 176 . 7 1 1 A 13 13 GLU N N 13 123.599 118.887 4.712 1
1 177 . 7 1 1 A 14 14 VAL H H 14 7.605 7.510 0.095 1
1 178 . 7 1 1 A 14 14 VAL HA H 14 3.562 3.552 0.010 1
1 186 . 7 1 1 A 14 14 VAL C C 14 177.289 176.642 0.647 1
1 187 . 7 1 1 A 14 14 VAL CA C 14 64.338 65.650 -1.312 1
1 188 . 7 1 1 A 14 14 VAL CB C 14 32.669 31.525 1.144 1
1 191 . 7 1 1 A 14 14 VAL N N 14 113.566 119.769 -6.203 1
1 192 . 7 1 1 A 15 15 ASN H H 15 7.482 7.284 0.198 1
1 193 . 7 1 1 A 15 15 ASN HA H 15 4.429 4.671 -0.242 1
1 198 . 7 1 1 A 15 15 ASN C C 15 175.201 176.472 -1.271 1
1 199 . 7 1 1 A 15 15 ASN CA C 15 55.218 53.728 1.490 1
1 200 . 7 1 1 A 15 15 ASN CB C 15 39.927 39.364 0.563 1
1 201 . 7 1 1 A 15 15 ASN N N 15 112.195 117.170 -4.975 1
1 203 . 7 1 1 A 16 16 LYS H H 16 7.413 7.438 -0.025 1
1 204 . 7 1 1 A 16 16 LYS HA H 16 4.338 3.973 0.365 1
1 213 . 7 1 1 A 16 16 LYS C C 16 175.309 178.283 -2.974 1
1 214 . 7 1 1 A 16 16 LYS CA C 16 54.807 57.521 -2.714 1
1 215 . 7 1 1 A 16 16 LYS CB C 16 32.665 31.964 0.701 1
1 219 . 7 1 1 A 16 16 LYS N N 16 115.814 118.308 -2.494 1
1 220 . 7 1 1 A 17 17 LEU H H 17 7.490 7.379 0.111 1
1 221 . 7 1 1 A 17 17 LEU HA H 17 3.603 3.156 0.447 1
1 231 . 7 1 1 A 17 17 LEU C C 17 173.754 174.824 -1.070 1
1 232 . 7 1 1 A 17 17 LEU CA C 17 59.847 59.319 0.528 1
1 233 . 7 1 1 A 17 17 LEU CB C 17 39.552 39.722 -0.170 1
1 237 . 7 1 1 A 17 17 LEU N N 17 121.586 121.473 0.113 1
1 238 . 7 1 1 A 18 18 PRO HA H 18 4.107 4.194 -0.087 1
1 245 . 7 1 1 A 18 18 PRO C C 18 176.412 177.628 -1.216 1
1 246 . 7 1 1 A 18 18 PRO CA C 18 64.656 64.942 -0.286 1
1 247 . 7 1 1 A 18 18 PRO CB C 18 30.980 31.076 -0.096 1
1 250 . 7 1 1 A 19 19 HIS H H 19 7.631 7.442 0.189 1
1 251 . 7 1 1 A 19 19 HIS HA H 19 4.857 4.404 0.453 1
1 256 . 7 1 1 A 19 19 HIS C C 19 175.822 175.223 0.599 1
1 257 . 7 1 1 A 19 19 HIS CA C 19 55.004 57.438 -2.434 1
1 258 . 7 1 1 A 19 19 HIS CB C 19 32.358 31.176 1.182 1
1 260 . 7 1 1 A 19 19 HIS N N 19 111.190 115.103 -3.913 1
1 263 . 7 1 1 A 20 20 VAL H H 20 7.124 7.374 -0.250 1
1 264 . 7 1 1 A 20 20 VAL HA H 20 4.728 4.168 0.560 1
1 272 . 7 1 1 A 20 20 VAL C C 20 175.497 175.675 -0.178 1
1 273 . 7 1 1 A 20 20 VAL CA C 20 60.134 61.084 -0.950 1
1 274 . 7 1 1 A 20 20 VAL CB C 20 34.199 33.116 1.083 1
1 277 . 7 1 1 A 20 20 VAL N N 20 112.191 116.846 -4.655 1
1 278 . 7 1 1 A 21 21 SER H H 21 8.589 8.659 -0.070 1
1 279 . 7 1 1 A 21 21 SER HA H 21 4.531 4.700 -0.169 1
1 282 . 7 1 1 A 21 21 SER C C 21 174.840 175.193 -0.353 1
1 283 . 7 1 1 A 21 21 SER CA C 21 57.236 57.761 -0.525 1
1 284 . 7 1 1 A 21 21 SER CB C 21 65.251 64.463 0.788 1
1 285 . 7 1 1 A 21 21 SER N N 21 116.825 118.594 -1.769 1
1 286 . 7 1 1 A 22 22 GLU H H 22 8.964 9.061 -0.097 1
1 287 . 7 1 1 A 22 22 GLU HA H 22 3.922 4.026 -0.104 1
1 292 . 7 1 1 A 22 22 GLU C C 22 178.606 178.272 0.334 1
1 293 . 7 1 1 A 22 22 GLU CA C 22 59.837 59.579 0.258 1
1 294 . 7 1 1 A 22 22 GLU CB C 22 29.239 29.378 -0.139 1
1 296 . 7 1 1 A 22 22 GLU N N 22 120.863 126.550 -5.687 1
1 297 . 7 1 1 A 23 23 SER H H 23 8.426 8.446 -0.020 1
1 298 . 7 1 1 A 23 23 SER HA H 23 4.151 4.254 -0.103 1
1 301 . 7 1 1 A 23 23 SER C C 23 176.977 177.542 -0.565 1
1 302 . 7 1 1 A 23 23 SER CA C 23 61.220 61.320 -0.100 1
1 303 . 7 1 1 A 23 23 SER CB C 23 62.252 62.309 -0.057 1
1 304 . 7 1 1 A 23 23 SER N N 23 112.196 115.679 -3.483 1
1 305 . 7 1 1 A 24 24 THR H H 24 7.749 8.153 -0.404 1
1 306 . 7 1 1 A 24 24 THR HA H 24 4.163 4.278 -0.115 1
1 311 . 7 1 1 A 24 24 THR C C 24 176.523 176.713 -0.190 1
1 312 . 7 1 1 A 24 24 THR CA C 24 66.045 67.415 -1.370 1
1 313 . 7 1 1 A 24 24 THR CB C 24 68.305 68.727 -0.422 1
1 315 . 7 1 1 A 24 24 THR N N 24 120.348 117.776 2.572 1
1 316 . 7 1 1 A 25 25 LYS H H 25 8.605 8.388 0.217 1
1 317 . 7 1 1 A 25 25 LYS HA H 25 4.064 4.203 -0.139 1
1 326 . 7 1 1 A 25 25 LYS C C 25 178.447 179.475 -1.028 1
1 327 . 7 1 1 A 25 25 LYS CA C 25 61.087 60.372 0.715 1
1 328 . 7 1 1 A 25 25 LYS CB C 25 32.717 32.378 0.339 1
1 332 . 7 1 1 A 25 25 LYS N N 25 123.593 120.434 3.159 1
1 333 . 7 1 1 A 26 26 ARG H H 26 7.485 7.726 -0.241 1
1 334 . 7 1 1 A 26 26 ARG HA H 26 4.146 4.193 -0.047 1
1 341 . 7 1 1 A 26 26 ARG C C 26 179.845 179.057 0.788 1
1 342 . 7 1 1 A 26 26 ARG CA C 26 58.916 58.833 0.083 1
1 343 . 7 1 1 A 26 26 ARG CB C 26 30.384 29.985 0.399 1
1 346 . 7 1 1 A 26 26 ARG N N 26 114.116 119.270 -5.154 1
1 347 . 7 1 1 A 27 27 HIS H H 27 7.677 8.104 -0.427 1
1 348 . 7 1 1 A 27 27 HIS HA H 27 4.757 4.421 0.336 1
1 353 . 7 1 1 A 27 27 HIS C C 27 179.743 177.417 2.326 1
1 354 . 7 1 1 A 27 27 HIS CA C 27 58.659 59.294 -0.635 1
1 355 . 7 1 1 A 27 27 HIS CB C 27 30.967 30.362 0.605 1
1 358 . 7 1 1 A 27 27 HIS N N 27 119.389 118.355 1.034 1
1 361 . 7 1 1 A 28 28 TYR H H 28 8.119 7.952 0.167 1
1 362 . 7 1 1 A 28 28 TYR HA H 28 4.009 4.224 -0.215 1
1 369 . 7 1 1 A 28 28 TYR C C 28 178.685 178.582 0.103 1
1 370 . 7 1 1 A 28 28 TYR CA C 28 63.311 61.836 1.475 1
1 371 . 7 1 1 A 28 28 TYR CB C 28 38.879 37.224 1.655 1
1 374 . 7 1 1 A 28 28 TYR N N 28 121.786 117.316 4.470 1
1 375 . 7 1 1 A 29 29 GLU H H 29 8.631 8.680 -0.049 1
1 376 . 7 1 1 A 29 29 GLU HA H 29 4.067 4.180 -0.113 1
1 381 . 7 1 1 A 29 29 GLU C C 29 179.950 178.910 1.040 1
1 382 . 7 1 1 A 29 29 GLU CA C 29 59.827 60.153 -0.326 1
1 383 . 7 1 1 A 29 29 GLU CB C 29 29.172 29.066 0.106 1
1 385 . 7 1 1 A 29 29 GLU N N 29 119.090 119.974 -0.884 1
1 386 . 7 1 1 A 30 30 SER H H 30 8.307 8.680 -0.373 1
1 387 . 7 1 1 A 30 30 SER HA H 30 4.467 4.342 0.125 1
1 390 . 7 1 1 A 30 30 SER C C 30 177.445 176.535 0.910 1
1 391 . 7 1 1 A 30 30 SER CA C 30 61.068 61.947 -0.879 1
1 392 . 7 1 1 A 30 30 SER CB C 30 63.054 63.064 -0.010 1
1 393 . 7 1 1 A 30 30 SER N N 30 115.027 116.540 -1.513 1
1 394 . 7 1 1 A 31 31 ALA H H 31 8.319 7.932 0.387 1
1 395 . 7 1 1 A 31 31 ALA HA H 31 4.070 4.200 -0.130 1
1 399 . 7 1 1 A 31 31 ALA C C 31 178.488 179.053 -0.565 1
1 400 . 7 1 1 A 31 31 ALA CA C 31 55.926 54.997 0.929 1
1 401 . 7 1 1 A 31 31 ALA CB C 31 18.510 18.458 0.052 1
1 402 . 7 1 1 A 31 31 ALA N N 31 124.966 123.711 1.255 1
1 403 . 7 1 1 A 32 32 TYR H H 32 8.537 9.198 -0.661 1
1 404 . 7 1 1 A 32 32 TYR HA H 32 4.114 4.250 -0.136 1
1 411 . 7 1 1 A 32 32 TYR C C 32 175.705 177.968 -2.263 1
1 412 . 7 1 1 A 32 32 TYR CA C 32 60.480 62.191 -1.711 1
1 413 . 7 1 1 A 32 32 TYR CB C 32 37.864 39.055 -1.191 1
1 416 . 7 1 1 A 32 32 TYR N N 32 116.814 120.330 -3.516 1
1 417 . 7 1 1 A 33 33 LYS H H 33 7.988 8.307 -0.319 1
1 418 . 7 1 1 A 33 33 LYS HA H 33 3.513 3.894 -0.381 1
1 427 . 7 1 1 A 33 33 LYS C C 33 178.474 179.050 -0.576 1
1 428 . 7 1 1 A 33 33 LYS CA C 33 59.810 59.069 0.741 1
1 429 . 7 1 1 A 33 33 LYS CB C 33 32.000 32.008 -0.008 1
1 433 . 7 1 1 A 33 33 LYS N N 33 119.358 118.709 0.649 1
1 434 . 7 1 1 A 34 34 HIS H H 34 8.187 7.837 0.350 1
1 435 . 7 1 1 A 34 34 HIS HA H 34 4.449 4.617 -0.168 1
1 440 . 7 1 1 A 34 34 HIS C C 34 178.948 178.080 0.868 1
1 441 . 7 1 1 A 34 34 HIS CA C 34 60.883 60.076 0.807 1
1 442 . 7 1 1 A 34 34 HIS CB C 34 28.843 30.558 -1.715 1
1 445 . 7 1 1 A 34 34 HIS N N 34 116.156 118.976 -2.820 1
1 448 . 7 1 1 A 35 35 ILE H H 35 8.676 8.727 -0.051 1
1 449 . 7 1 1 A 35 35 ILE HA H 35 3.513 3.643 -0.130 1
1 459 . 7 1 1 A 35 35 ILE C C 35 177.630 178.198 -0.568 1
1 460 . 7 1 1 A 35 35 ILE CA C 35 65.690 65.497 0.193 1
1 461 . 7 1 1 A 35 35 ILE CB C 35 38.481 37.604 0.877 1
1 465 . 7 1 1 A 35 35 ILE N N 35 121.824 120.441 1.383 1
1 466 . 7 1 1 A 36 36 LYS H H 36 8.797 8.279 0.518 1
1 467 . 7 1 1 A 36 36 LYS HA H 36 3.712 3.930 -0.218 1
1 476 . 7 1 1 A 36 36 LYS C C 36 179.397 178.331 1.066 1
1 477 . 7 1 1 A 36 36 LYS CA C 36 59.860 59.733 0.127 1
1 478 . 7 1 1 A 36 36 LYS CB C 36 31.878 32.165 -0.287 1
1 482 . 7 1 1 A 36 36 LYS N N 36 121.589 120.602 0.987 1
1 483 . 7 1 1 A 37 37 ASP H H 37 8.246 8.013 0.233 1
1 484 . 7 1 1 A 37 37 ASP HA H 37 4.336 4.336 0.000 1
1 487 . 7 1 1 A 37 37 ASP C C 37 177.234 177.946 -0.712 1
1 488 . 7 1 1 A 37 37 ASP CA C 37 56.932 56.899 0.033 1
1 489 . 7 1 1 A 37 37 ASP CB C 37 40.576 40.943 -0.367 1
1 490 . 7 1 1 A 37 37 ASP N N 37 118.225 119.096 -0.871 1
1 491 . 7 1 1 A 38 38 HIS H H 38 7.867 7.695 0.172 1
1 492 . 7 1 1 A 38 38 HIS HA H 38 4.284 4.331 -0.047 1
1 496 . 7 1 1 A 38 38 HIS C C 38 176.839 175.668 1.171 1
1 497 . 7 1 1 A 38 38 HIS CA C 38 59.389 58.981 0.408 1
1 498 . 7 1 1 A 38 38 HIS CB C 38 31.630 30.753 0.877 1
1 500 . 7 1 1 A 38 38 HIS N N 38 115.487 115.919 -0.432 1
1 501 . 7 1 1 A 39 39 PHE H H 39 9.082 8.532 0.550 1
1 502 . 7 1 1 A 39 39 PHE HA H 39 4.369 4.797 -0.428 1
1 510 . 7 1 1 A 39 39 PHE C C 39 175.890 176.271 -0.381 1
1 511 . 7 1 1 A 39 39 PHE CA C 39 60.159 56.108 4.051 1
1 512 . 7 1 1 A 39 39 PHE CB C 39 38.850 37.383 1.467 1
1 516 . 7 1 1 A 39 39 PHE N N 39 114.327 115.150 -0.823 1
1 517 . 7 1 1 A 40 40 ARG H H 40 8.104 8.100 0.004 1
1 518 . 7 1 1 A 40 40 ARG HA H 40 3.921 4.314 -0.393 1
1 525 . 7 1 1 A 40 40 ARG C C 40 176.892 176.992 -0.100 1
1 526 . 7 1 1 A 40 40 ARG CA C 40 58.009 59.312 -1.303 1
1 527 . 7 1 1 A 40 40 ARG CB C 40 27.531 30.335 -2.804 1
1 530 . 7 1 1 A 40 40 ARG N N 40 118.379 121.835 -3.456 1
1 531 . 7 1 1 A 41 41 HIS H H 41 8.589 8.104 0.485 1
1 532 . 7 1 1 A 41 41 HIS HA H 41 4.910 4.892 0.018 1
1 536 . 7 1 1 A 41 41 HIS C C 41 174.835 174.374 0.461 1
1 537 . 7 1 1 A 41 41 HIS CA C 41 55.473 55.615 -0.142 1
1 538 . 7 1 1 A 41 41 HIS CB C 41 29.720 30.162 -0.442 1
1 540 . 7 1 1 A 41 41 HIS N N 41 123.828 112.523 11.305 1
1 541 . 7 1 1 A 42 42 LYS H H 42 8.326 7.572 0.754 1
1 542 . 7 1 1 A 42 42 LYS HA H 42 4.181 4.885 -0.704 1
1 551 . 7 1 1 A 42 42 LYS C C 42 177.973 176.356 1.617 1
1 552 . 7 1 1 A 42 42 LYS CA C 42 58.201 55.445 2.756 1
1 553 . 7 1 1 A 42 42 LYS CB C 42 33.047 34.774 -1.727 1
1 557 . 7 1 1 A 42 42 LYS N N 42 121.129 121.442 -0.313 1
1 558 . 7 1 1 A 43 43 LEU H H 43 9.243 8.582 0.661 1
1 559 . 7 1 1 A 43 43 LEU HA H 43 4.346 4.510 -0.164 1
1 569 . 7 1 1 A 43 43 LEU C C 43 177.840 178.102 -0.262 1
1 570 . 7 1 1 A 43 43 LEU CA C 43 55.420 54.629 0.791 1
1 571 . 7 1 1 A 43 43 LEU CB C 43 40.936 42.117 -1.181 1
1 575 . 7 1 1 A 43 43 LEU N N 43 124.529 127.894 -3.365 1
1 576 . 7 1 1 A 44 44 LEU H H 44 8.404 8.687 -0.283 1
1 577 . 7 1 1 A 44 44 LEU HA H 44 3.681 4.079 -0.398 1
1 587 . 7 1 1 A 44 44 LEU C C 44 177.962 177.942 0.020 1
1 588 . 7 1 1 A 44 44 LEU CA C 44 58.773 58.856 -0.083 1
1 589 . 7 1 1 A 44 44 LEU CB C 44 42.661 41.481 1.180 1
1 593 . 7 1 1 A 44 44 LEU N N 44 123.643 126.293 -2.650 1
1 594 . 7 1 1 A 45 45 LYS HA H 45 4.126 4.115 0.011 1
1 603 . 7 1 1 A 45 45 LYS C C 45 175.533 176.548 -1.015 1
1 604 . 7 1 1 A 45 45 LYS CA C 45 57.405 57.801 -0.396 1
1 605 . 7 1 1 A 45 45 LYS CB C 45 31.650 32.226 -0.576 1
1 609 . 7 1 1 A 46 46 ASP H H 46 7.520 7.817 -0.297 1
1 610 . 7 1 1 A 46 46 ASP HA H 46 4.888 4.705 0.183 1
1 613 . 7 1 1 A 46 46 ASP C C 46 175.811 176.200 -0.389 1
1 614 . 7 1 1 A 46 46 ASP CA C 46 54.268 53.171 1.097 1
1 615 . 7 1 1 A 46 46 ASP CB C 46 42.178 40.895 1.283 1
1 616 . 7 1 1 A 46 46 ASP N N 46 118.587 118.873 -0.286 1
1 617 . 7 1 1 A 47 47 ILE H H 47 6.965 7.114 -0.149 1
1 618 . 7 1 1 A 47 47 ILE HA H 47 4.048 3.852 0.196 1
1 628 . 7 1 1 A 47 47 ILE C C 47 175.362 175.064 0.298 1
1 629 . 7 1 1 A 47 47 ILE CA C 47 59.826 61.898 -2.072 1
1 630 . 7 1 1 A 47 47 ILE CB C 47 34.389 37.753 -3.364 1
1 634 . 7 1 1 A 47 47 ILE N N 47 119.126 121.706 -2.580 1
1 635 . 7 1 1 A 48 48 LYS H H 48 8.489 9.028 -0.539 1
1 636 . 7 1 1 A 48 48 LYS HA H 48 4.635 4.486 0.149 1
1 645 . 7 1 1 A 48 48 LYS C C 48 177.252 177.859 -0.607 1
1 646 . 7 1 1 A 48 48 LYS CA C 48 54.357 54.877 -0.520 1
1 647 . 7 1 1 A 48 48 LYS CB C 48 34.753 34.196 0.557 1
1 651 . 7 1 1 A 48 48 LYS N N 48 127.892 127.269 0.623 1
1 652 . 7 1 1 A 49 49 ARG H H 49 8.816 8.775 0.041 1
1 653 . 7 1 1 A 49 49 ARG HA H 49 4.314 4.135 0.179 1
1 660 . 7 1 1 A 49 49 ARG C C 49 178.464 178.187 0.277 1
1 661 . 7 1 1 A 49 49 ARG CA C 49 60.341 58.898 1.443 1
1 662 . 7 1 1 A 49 49 ARG CB C 49 30.197 29.950 0.247 1
1 665 . 7 1 1 A 49 49 ARG N N 49 122.736 122.893 -0.157 1
1 666 . 7 1 1 A 50 50 THR H H 50 8.269 8.101 0.168 1
1 667 . 7 1 1 A 50 50 THR HA H 50 4.079 4.058 0.021 1
1 672 . 7 1 1 A 50 50 THR C C 50 177.316 177.079 0.237 1
1 673 . 7 1 1 A 50 50 THR CA C 50 65.501 65.738 -0.237 1
1 674 . 7 1 1 A 50 50 THR CB C 50 67.951 68.302 -0.351 1
1 676 . 7 1 1 A 50 50 THR N N 50 110.696 111.579 -0.883 1
1 677 . 7 1 1 A 51 51 GLU H H 51 7.260 8.239 -0.979 1
1 678 . 7 1 1 A 51 51 GLU HA H 51 4.239 4.036 0.203 1
1 683 . 7 1 1 A 51 51 GLU C C 51 179.621 178.998 0.623 1
1 684 . 7 1 1 A 51 51 GLU CA C 51 58.921 61.008 -2.087 1
1 685 . 7 1 1 A 51 51 GLU CB C 51 29.916 29.413 0.503 1
1 687 . 7 1 1 A 51 51 GLU N N 51 121.344 122.352 -1.008 1
1 688 . 7 1 1 A 52 52 TYR H H 52 8.678 8.401 0.277 1
1 689 . 7 1 1 A 52 52 TYR HA H 52 4.376 4.392 -0.016 1
1 697 . 7 1 1 A 52 52 TYR C C 52 176.120 177.730 -1.610 1
1 698 . 7 1 1 A 52 52 TYR CA C 52 62.660 61.871 0.789 1
1 699 . 7 1 1 A 52 52 TYR CB C 52 38.206 38.259 -0.053 1
1 702 . 7 1 1 A 52 52 TYR N N 52 122.483 122.056 0.427 1
1 703 . 7 1 1 A 53 53 GLN H H 53 8.801 8.290 0.511 1
1 704 . 7 1 1 A 53 53 GLN HA H 53 3.721 3.932 -0.211 1
1 711 . 7 1 1 A 53 53 GLN C C 53 177.894 179.185 -1.291 1
1 712 . 7 1 1 A 53 53 GLN CA C 53 58.111 58.766 -0.655 1
1 713 . 7 1 1 A 53 53 GLN CB C 53 28.909 28.472 0.437 1
1 715 . 7 1 1 A 53 53 GLN N N 53 118.817 118.541 0.276 1
1 717 . 7 1 1 A 54 54 LYS H H 54 7.685 8.206 -0.521 1
1 718 . 7 1 1 A 54 54 LYS HA H 54 4.051 4.067 -0.016 1
1 727 . 7 1 1 A 54 54 LYS C C 54 178.918 178.371 0.547 1
1 728 . 7 1 1 A 54 54 LYS CA C 54 59.845 58.532 1.313 1
1 729 . 7 1 1 A 54 54 LYS CB C 54 32.339 32.171 0.168 1
1 733 . 7 1 1 A 54 54 LYS N N 54 118.629 118.699 -0.070 1
1 734 . 7 1 1 A 55 55 PHE H H 55 7.533 7.980 -0.447 1
1 735 . 7 1 1 A 55 55 PHE HA H 55 3.660 3.817 -0.157 1
1 743 . 7 1 1 A 55 55 PHE C C 55 176.180 176.815 -0.635 1
1 744 . 7 1 1 A 55 55 PHE CA C 55 59.494 61.003 -1.509 1
1 745 . 7 1 1 A 55 55 PHE CB C 55 38.189 39.064 -0.875 1
1 749 . 7 1 1 A 55 55 PHE N N 55 120.449 121.670 -1.221 1
1 750 . 7 1 1 A 56 56 LEU H H 56 8.019 8.493 -0.474 1
1 751 . 7 1 1 A 56 56 LEU HA H 56 3.254 3.606 -0.352 1
1 761 . 7 1 1 A 56 56 LEU C C 56 179.581 179.374 0.207 1
1 762 . 7 1 1 A 56 56 LEU CA C 56 57.366 57.569 -0.203 1
1 763 . 7 1 1 A 56 56 LEU CB C 56 41.462 40.819 0.643 1
1 767 . 7 1 1 A 56 56 LEU N N 56 120.223 120.060 0.163 1
1 768 . 7 1 1 A 57 57 ASN H H 57 8.427 8.057 0.370 1
1 769 . 7 1 1 A 57 57 ASN HA H 57 4.324 4.526 -0.202 1
1 774 . 7 1 1 A 57 57 ASN C C 57 178.105 177.901 0.204 1
1 775 . 7 1 1 A 57 57 ASN CA C 57 55.194 56.439 -1.245 1
1 776 . 7 1 1 A 57 57 ASN CB C 57 36.948 37.658 -0.710 1
1 777 . 7 1 1 A 57 57 ASN N N 57 118.422 118.720 -0.298 1
1 779 . 7 1 1 A 58 58 GLU H H 58 7.873 7.745 0.128 1
1 780 . 7 1 1 A 58 58 GLU HA H 58 4.063 4.054 0.009 1
1 785 . 7 1 1 A 58 58 GLU C C 58 179.660 178.727 0.933 1
1 786 . 7 1 1 A 58 58 GLU CA C 58 59.064 59.170 -0.106 1
1 787 . 7 1 1 A 58 58 GLU CB C 58 29.592 29.097 0.495 1
1 789 . 7 1 1 A 58 58 GLU N N 58 121.129 119.629 1.500 1
1 790 . 7 1 1 A 59 59 TYR H H 59 8.638 7.770 0.868 1
1 791 . 7 1 1 A 59 59 TYR HA H 59 3.949 4.130 -0.181 1
1 798 . 7 1 1 A 59 59 TYR C C 59 179.907 178.191 1.716 1
1 799 . 7 1 1 A 59 59 TYR CA C 59 61.870 61.086 0.784 1
1 800 . 7 1 1 A 59 59 TYR CB C 59 38.156 38.134 0.022 1
1 803 . 7 1 1 A 59 59 TYR N N 59 124.461 120.743 3.718 1
1 804 . 7 1 1 A 60 60 GLY H H 60 8.925 8.509 0.416 1
1 805 . 7 1 1 A 60 60 GLY HA2 H 60 3.947 3.962 -0.015 1
1 806 . 7 1 1 A 60 60 GLY HA3 H 60 4.175 3.967 0.208 1
1 807 . 7 1 1 A 60 60 GLY C C 60 173.294 174.953 -1.659 1
1 808 . 7 1 1 A 60 60 GLY CA C 60 46.424 46.109 0.315 1
1 809 . 7 1 1 A 60 60 GLY N N 60 107.578 106.174 1.404 1
1 810 . 7 1 1 A 61 61 LEU H H 61 7.448 7.635 -0.187 1
1 811 . 7 1 1 A 61 61 LEU HA H 61 4.238 4.282 -0.044 1
1 821 . 7 1 1 A 61 61 LEU C C 61 179.159 178.207 0.952 1
1 822 . 7 1 1 A 61 61 LEU CA C 61 57.274 55.999 1.275 1
1 823 . 7 1 1 A 61 61 LEU CB C 61 42.304 42.208 0.096 1
1 827 . 7 1 1 A 61 61 LEU N N 61 118.202 120.625 -2.423 1
1 828 . 7 1 1 A 62 62 THR H H 62 6.974 7.021 -0.047 1
1 829 . 7 1 1 A 62 62 THR HA H 62 4.385 4.402 -0.017 1
1 834 . 7 1 1 A 62 62 THR C C 62 173.170 174.078 -0.908 1
1 835 . 7 1 1 A 62 62 THR CA C 62 59.813 62.190 -2.377 1
1 836 . 7 1 1 A 62 62 THR CB C 62 69.697 70.052 -0.355 1
1 838 . 7 1 1 A 62 62 THR N N 62 101.223 104.614 -3.391 1
1 839 . 7 1 1 A 63 63 HIS H H 63 7.041 7.835 -0.794 1
1 840 . 7 1 1 A 63 63 HIS HA H 63 4.861 4.934 -0.073 1
1 845 . 7 1 1 A 63 63 HIS C C 63 172.567 174.670 -2.103 1
1 846 . 7 1 1 A 63 63 HIS CA C 63 55.522 54.342 1.180 1
1 847 . 7 1 1 A 63 63 HIS CB C 63 32.328 32.931 -0.603 1
1 850 . 7 1 1 A 63 63 HIS N N 63 116.818 119.772 -2.954 1
1 853 . 7 1 1 A 64 64 SER H H 64 8.717 8.583 0.134 1
1 854 . 7 1 1 A 64 64 SER HA H 64 4.582 4.614 -0.032 1
1 857 . 7 1 1 A 64 64 SER C C 64 174.545 175.127 -0.582 1
1 858 . 7 1 1 A 64 64 SER CA C 64 57.169 58.386 -1.217 1
1 859 . 7 1 1 A 64 64 SER CB C 64 65.484 63.926 1.558 1
1 860 . 7 1 1 A 64 64 SER N N 64 116.128 115.522 0.606 1
1 861 . 7 1 1 A 65 65 TYR H H 65 9.054 9.243 -0.189 1
1 862 . 7 1 1 A 65 65 TYR HA H 65 4.059 4.175 -0.116 1
1 869 . 7 1 1 A 65 65 TYR C C 65 176.918 177.799 -0.881 1
1 870 . 7 1 1 A 65 65 TYR CA C 65 61.906 62.433 -0.527 1
1 871 . 7 1 1 A 65 65 TYR CB C 65 38.185 38.700 -0.515 1
1 874 . 7 1 1 A 65 65 TYR N N 65 121.679 127.016 -5.337 1
1 875 . 7 1 1 A 66 66 GLU H H 66 8.965 8.365 0.600 1
1 876 . 7 1 1 A 66 66 GLU HA H 66 3.888 4.018 -0.130 1
1 881 . 7 1 1 A 66 66 GLU C C 66 178.764 179.193 -0.429 1
1 882 . 7 1 1 A 66 66 GLU CA C 66 59.329 59.326 0.003 1
1 883 . 7 1 1 A 66 66 GLU CB C 66 28.874 29.515 -0.641 1
1 885 . 7 1 1 A 66 66 GLU N N 66 117.723 119.298 -1.575 1
1 886 . 7 1 1 A 67 67 THR H H 67 7.626 8.171 -0.545 1
1 887 . 7 1 1 A 67 67 THR HA H 67 3.864 4.164 -0.300 1
1 892 . 7 1 1 A 67 67 THR C C 67 176.681 176.080 0.601 1
1 893 . 7 1 1 A 67 67 THR CA C 67 66.368 67.402 -1.034 1
1 894 . 7 1 1 A 67 67 THR CB C 67 68.290 68.672 -0.382 1
1 896 . 7 1 1 A 67 67 THR N N 67 116.084 116.952 -0.868 1
1 897 . 7 1 1 A 68 68 ILE H H 68 8.324 8.234 0.090 1
1 898 . 7 1 1 A 68 68 ILE HA H 68 3.686 3.749 -0.063 1
1 908 . 7 1 1 A 68 68 ILE C C 68 176.527 177.438 -0.911 1
1 909 . 7 1 1 A 68 68 ILE CA C 68 65.205 62.702 2.503 1
1 910 . 7 1 1 A 68 68 ILE CB C 68 38.355 37.525 0.830 1
1 914 . 7 1 1 A 68 68 ILE N N 68 123.174 120.119 3.055 1
1 915 . 7 1 1 A 69 69 ARG H H 69 8.407 8.104 0.303 1
1 916 . 7 1 1 A 69 69 ARG HA H 69 3.673 3.627 0.046 1
1 923 . 7 1 1 A 69 69 ARG C C 69 179.687 178.634 1.053 1
1 924 . 7 1 1 A 69 69 ARG CA C 69 59.577 60.128 -0.551 1
1 925 . 7 1 1 A 69 69 ARG CB C 69 29.560 29.798 -0.238 1
1 928 . 7 1 1 A 69 69 ARG N N 69 121.358 122.259 -0.901 1
1 929 . 7 1 1 A 70 70 LYS H H 70 7.562 7.692 -0.130 1
1 930 . 7 1 1 A 70 70 LYS HA H 70 3.617 3.682 -0.065 1
1 939 . 7 1 1 A 70 70 LYS C C 70 177.129 178.393 -1.264 1
1 940 . 7 1 1 A 70 70 LYS CA C 70 59.380 58.971 0.409 1
1 941 . 7 1 1 A 70 70 LYS CB C 70 31.978 31.911 0.067 1
1 945 . 7 1 1 A 70 70 LYS N N 70 120.218 118.357 1.861 1
1 946 . 7 1 1 A 71 71 LEU H H 71 7.640 8.360 -0.720 1
1 947 . 7 1 1 A 71 71 LEU HA H 71 3.629 3.748 -0.119 1
1 957 . 7 1 1 A 71 71 LEU C C 71 178.157 178.251 -0.094 1
1 958 . 7 1 1 A 71 71 LEU CA C 71 58.477 58.173 0.304 1
1 959 . 7 1 1 A 71 71 LEU CB C 71 41.262 41.347 -0.085 1
1 963 . 7 1 1 A 71 71 LEU N N 71 119.991 121.537 -1.546 1
1 964 . 7 1 1 A 72 72 ASN H H 72 8.474 8.470 0.004 1
1 965 . 7 1 1 A 72 72 ASN HA H 72 4.485 4.568 -0.083 1
1 970 . 7 1 1 A 72 72 ASN C C 72 176.285 177.547 -1.262 1
1 971 . 7 1 1 A 72 72 ASN CA C 72 56.424 56.680 -0.256 1
1 972 . 7 1 1 A 72 72 ASN CB C 72 39.544 39.743 -0.199 1
1 973 . 7 1 1 A 72 72 ASN N N 72 114.097 117.470 -3.373 1
1 975 . 7 1 1 A 73 73 SER H H 73 7.878 7.755 0.123 1
1 976 . 7 1 1 A 73 73 SER HA H 73 4.177 4.215 -0.038 1
1 979 . 7 1 1 A 73 73 SER C C 73 176.734 177.061 -0.327 1
1 980 . 7 1 1 A 73 73 SER CA C 73 61.741 61.202 0.539 1
1 981 . 7 1 1 A 73 73 SER CB C 73 62.573 62.724 -0.151 1
1 982 . 7 1 1 A 73 73 SER N N 73 115.022 113.982 1.040 1
1 983 . 7 1 1 A 74 74 TYR H H 74 8.078 7.804 0.274 1
1 984 . 7 1 1 A 74 74 TYR HA H 74 5.168 4.611 0.557 1
1 991 . 7 1 1 A 74 74 TYR C C 74 178.436 178.569 -0.133 1
1 992 . 7 1 1 A 74 74 TYR CA C 74 58.023 61.489 -3.466 1
1 993 . 7 1 1 A 74 74 TYR CB C 74 37.835 38.257 -0.422 1
1 996 . 7 1 1 A 74 74 TYR N N 74 122.937 118.867 4.070 1
1 997 . 7 1 1 A 75 75 ILE H H 75 8.264 8.548 -0.284 1
1 998 . 7 1 1 A 75 75 ILE HA H 75 3.647 3.833 -0.186 1
1 1008 . 7 1 1 A 75 75 ILE C C 75 177.656 178.109 -0.453 1
1 1009 . 7 1 1 A 75 75 ILE CA C 75 66.349 65.205 1.144 1
1 1010 . 7 1 1 A 75 75 ILE CB C 75 37.494 37.581 -0.087 1
1 1014 . 7 1 1 A 75 75 ILE N N 75 119.080 120.438 -1.358 1
1 1015 . 7 1 1 A 76 76 ARG H H 76 9.316 8.456 0.860 1
1 1016 . 7 1 1 A 76 76 ARG HA H 76 3.896 4.167 -0.271 1
1 1024 . 7 1 1 A 76 76 ARG C C 76 179.033 179.309 -0.276 1
1 1025 . 7 1 1 A 76 76 ARG CA C 76 60.536 59.845 0.691 1
1 1026 . 7 1 1 A 76 76 ARG CB C 76 30.238 30.260 -0.022 1
1 1029 . 7 1 1 A 76 76 ARG N N 76 121.985 120.936 1.049 1
1 1031 . 7 1 1 A 77 77 ASN H H 77 8.003 8.112 -0.109 1
1 1032 . 7 1 1 A 77 77 ASN HA H 77 4.605 4.608 -0.003 1
1 1037 . 7 1 1 A 77 77 ASN C C 77 177.146 177.323 -0.177 1
1 1038 . 7 1 1 A 77 77 ASN CA C 77 55.755 56.559 -0.804 1
1 1039 . 7 1 1 A 77 77 ASN CB C 77 38.857 39.090 -0.233 1
1 1040 . 7 1 1 A 77 77 ASN N N 77 117.750 117.773 -0.023 1
1 1042 . 7 1 1 A 78 78 ALA H H 78 8.082 7.821 0.261 1
1 1043 . 7 1 1 A 78 78 ALA HA H 78 2.351 2.733 -0.382 1
1 1047 . 7 1 1 A 78 78 ALA C C 78 181.084 179.828 1.256 1
1 1048 . 7 1 1 A 78 78 ALA CA C 78 54.703 54.323 0.380 1
1 1049 . 7 1 1 A 78 78 ALA CB C 78 16.121 17.883 -1.762 1
1 1050 . 7 1 1 A 78 78 ALA N N 78 124.770 121.202 3.568 1
1 1051 . 7 1 1 A 79 79 PHE H H 79 8.603 7.967 0.636 1
1 1052 . 7 1 1 A 79 79 PHE HA H 79 3.974 4.263 -0.289 1
1 1060 . 7 1 1 A 79 79 PHE C C 79 177.841 177.867 -0.026 1
1 1061 . 7 1 1 A 79 79 PHE CA C 79 63.302 61.928 1.374 1
1 1062 . 7 1 1 A 79 79 PHE CB C 79 40.594 38.515 2.079 1
1 1066 . 7 1 1 A 79 79 PHE N N 79 116.847 115.785 1.062 1
1 1067 . 7 1 1 A 80 80 ASP H H 80 8.298 8.745 -0.447 1
1 1068 . 7 1 1 A 80 80 ASP HA H 80 4.620 4.351 0.269 1
1 1071 . 7 1 1 A 80 80 ASP C C 80 179.845 178.095 1.750 1
1 1072 . 7 1 1 A 80 80 ASP CA C 80 57.957 57.964 -0.007 1
1 1073 . 7 1 1 A 80 80 ASP CB C 80 39.595 41.427 -1.832 1
1 1074 . 7 1 1 A 80 80 ASP N N 80 121.362 120.007 1.355 1
1 1075 . 7 1 1 A 81 81 ASP H H 81 8.051 8.509 -0.458 1
1 1076 . 7 1 1 A 81 81 ASP HA H 81 4.724 4.443 0.281 1
1 1079 . 7 1 1 A 81 81 ASP C C 81 177.963 178.084 -0.121 1
1 1080 . 7 1 1 A 81 81 ASP CA C 81 57.537 57.798 -0.261 1
1 1081 . 7 1 1 A 81 81 ASP CB C 81 39.463 41.420 -1.957 1
1 1082 . 7 1 1 A 81 81 ASP N N 81 122.166 119.589 2.577 1
1 1083 . 7 1 1 A 82 82 ALA H H 82 8.025 7.435 0.590 1
1 1084 . 7 1 1 A 82 82 ALA HA H 82 4.106 4.199 -0.093 1
1 1088 . 7 1 1 A 82 82 ALA C C 82 180.223 179.921 0.302 1
1 1089 . 7 1 1 A 82 82 ALA CA C 82 55.194 55.160 0.034 1
1 1090 . 7 1 1 A 82 82 ALA CB C 82 17.947 18.328 -0.381 1
1 1091 . 7 1 1 A 82 82 ALA N N 82 124.747 121.711 3.036 1
1 1092 . 7 1 1 A 83 83 ILE H H 83 8.327 8.591 -0.264 1
1 1093 . 7 1 1 A 83 83 ILE HA H 83 4.235 3.957 0.278 1
1 1103 . 7 1 1 A 83 83 ILE C C 83 180.768 177.707 3.061 1
1 1104 . 7 1 1 A 83 83 ILE CA C 83 63.966 63.797 0.169 1
1 1105 . 7 1 1 A 83 83 ILE CB C 83 38.254 37.810 0.444 1
1 1109 . 7 1 1 A 83 83 ILE N N 83 120.907 119.281 1.626 1
1 1110 . 7 1 1 A 84 84 HIS H H 84 7.934 8.135 -0.201 1
1 1111 . 7 1 1 A 84 84 HIS HA H 84 4.434 4.142 0.292 1
1 1116 . 7 1 1 A 84 84 HIS C C 84 178.250 176.224 2.026 1
1 1117 . 7 1 1 A 84 84 HIS CA C 84 59.042 59.259 -0.217 1
1 1118 . 7 1 1 A 84 84 HIS CB C 84 28.750 30.070 -1.320 1
1 1121 . 7 1 1 A 84 84 HIS N N 84 121.346 121.316 0.030 1
1 1124 . 7 1 1 A 85 85 GLU H H 85 8.074 7.972 0.102 1
1 1125 . 7 1 1 A 85 85 GLU HA H 85 4.192 4.345 -0.153 1
1 1130 . 7 1 1 A 85 85 GLU C C 85 176.510 177.162 -0.652 1
1 1131 . 7 1 1 A 85 85 GLU CA C 85 56.512 56.236 0.276 1
1 1132 . 7 1 1 A 85 85 GLU CB C 85 30.284 30.574 -0.290 1
1 1134 . 7 1 1 A 85 85 GLU N N 85 115.467 116.023 -0.556 1
1 1135 . 7 1 1 A 86 86 GLY H H 86 7.715 8.088 -0.373 1
1 1136 . 7 1 1 A 86 86 GLY HA2 H 86 3.844 3.986 -0.142 1
1 1137 . 7 1 1 A 86 86 GLY HA3 H 86 4.136 3.993 0.143 1
1 1138 . 7 1 1 A 86 86 GLY C C 86 175.243 174.454 0.789 1
1 1139 . 7 1 1 A 86 86 GLY CA C 86 45.108 46.167 -1.059 1
1 1140 . 7 1 1 A 86 86 GLY N N 86 105.999 108.448 -2.449 1
1 1141 . 7 1 1 A 87 87 TYR H H 87 8.173 8.159 0.014 1
1 1142 . 7 1 1 A 87 87 TYR HA H 87 4.396 4.288 0.108 1
1 1149 . 7 1 1 A 87 87 TYR CA C 87 59.317 60.264 -0.947 1
1 1150 . 7 1 1 A 87 87 TYR CB C 87 39.558 39.856 -0.298 1
1 1153 . 7 1 1 A 87 87 TYR N N 87 118.412 121.340 -2.928 1
1 1154 . 7 1 1 A 88 88 VAL HA H 88 4.583 4.632 -0.049 1
1 1162 . 7 1 1 A 88 88 VAL CB C 88 36.112 35.731 0.381 1
1 1165 . 7 1 1 A 89 89 ILE HA H 89 4.426 4.410 0.016 1
1 1175 . 7 1 1 A 89 89 ILE CA C 89 61.984 59.291 2.693 1
1 1176 . 7 1 1 A 89 89 ILE CB C 89 39.850 38.901 0.949 1
1 1180 . 7 1 1 A 90 90 LYS H H 90 7.387 8.362 -0.975 1
1 1181 . 7 1 1 A 90 90 LYS HA H 90 4.508 4.063 0.445 1
1 1190 . 7 1 1 A 90 90 LYS C C 90 174.665 176.584 -1.919 1
1 1191 . 7 1 1 A 90 90 LYS CA C 90 54.111 57.202 -3.091 1
1 1192 . 7 1 1 A 90 90 LYS CB C 90 35.086 32.739 2.347 1
1 1196 . 7 1 1 A 91 91 ASN H H 91 8.803 8.459 0.344 1
1 1197 . 7 1 1 A 91 91 ASN HA H 91 4.279 4.382 -0.103 1
1 1202 . 7 1 1 A 91 91 ASN CB C 91 38.879 39.421 -0.542 1
1 1203 . 7 1 1 A 91 91 ASN N N 91 120.903 121.444 -0.541 1
1 1205 . 7 1 1 A 92 92 PRO HA H 92 4.206 4.283 -0.077 1
1 1212 . 7 1 1 A 92 92 PRO C C 92 174.751 177.706 -2.955 1
1 1213 . 7 1 1 A 92 92 PRO CA C 92 63.927 63.956 -0.029 1
1 1214 . 7 1 1 A 92 92 PRO CB C 92 30.969 31.520 -0.551 1
1 1217 . 7 1 1 A 93 93 THR H H 93 7.441 7.373 0.068 1
1 1218 . 7 1 1 A 93 93 THR HA H 93 4.093 4.297 -0.204 1
1 1224 . 7 1 1 A 93 93 THR C C 93 175.922 175.666 0.256 1
1 1225 . 7 1 1 A 93 93 THR CA C 93 62.221 64.042 -1.821 1
1 1226 . 7 1 1 A 93 93 THR CB C 93 69.463 67.882 1.581 1
1 1228 . 7 1 1 A 93 93 THR N N 93 105.991 111.309 -5.318 1
1 1229 . 7 1 1 A 94 94 TYR H H 94 7.139 7.770 -0.631 1
1 1230 . 7 1 1 A 94 94 TYR HA H 94 4.393 4.131 0.262 1
1 1237 . 7 1 1 A 94 94 TYR C C 94 176.180 177.441 -1.261 1
1 1238 . 7 1 1 A 94 94 TYR CA C 94 58.272 61.507 -3.235 1
1 1239 . 7 1 1 A 94 94 TYR CB C 94 37.490 38.961 -1.471 1
1 1242 . 7 1 1 A 94 94 TYR N N 94 124.098 122.870 1.228 1
1 1243 . 7 1 1 A 95 95 LYS H H 95 8.904 7.688 1.216 1
1 1244 . 7 1 1 A 95 95 LYS HA H 95 3.758 4.293 -0.535 1
1 1253 . 7 1 1 A 95 95 LYS C C 95 175.547 176.526 -0.979 1
1 1254 . 7 1 1 A 95 95 LYS CA C 95 57.078 55.503 1.575 1
1 1255 . 7 1 1 A 95 95 LYS CB C 95 29.962 32.851 -2.889 1
1 1259 . 7 1 1 A 95 95 LYS N N 95 121.317 118.933 2.384 1
1 1260 . 7 1 1 A 96 96 ALA H H 96 7.583 7.269 0.314 1
1 1261 . 7 1 1 A 96 96 ALA HA H 96 4.157 4.276 -0.119 1
1 1265 . 7 1 1 A 96 96 ALA C C 96 177.630 176.658 0.972 1
1 1266 . 7 1 1 A 96 96 ALA CA C 96 53.298 52.510 0.788 1
1 1267 . 7 1 1 A 96 96 ALA CB C 96 18.807 19.111 -0.304 1
1 1268 . 7 1 1 A 96 96 ALA N N 96 121.832 123.688 -1.856 1
1 1269 . 7 1 1 A 97 97 GLU H H 97 9.243 9.047 0.196 1
1 1270 . 7 1 1 A 97 97 GLU HA H 97 4.347 4.776 -0.429 1
1 1275 . 7 1 1 A 97 97 GLU C C 97 175.890 175.472 0.418 1
1 1276 . 7 1 1 A 97 97 GLU CA C 97 55.198 55.641 -0.443 1
1 1277 . 7 1 1 A 97 97 GLU CB C 97 30.931 30.772 0.159 1
1 1279 . 7 1 1 A 97 97 GLU N N 97 121.989 124.661 -2.672 1
1 1280 . 7 1 1 A 98 98 LEU H H 98 8.401 9.136 -0.735 1
1 1281 . 7 1 1 A 98 98 LEU HA H 98 4.277 4.708 -0.431 1
1 1291 . 7 1 1 A 98 98 LEU C C 98 175.738 175.755 -0.017 1
1 1292 . 7 1 1 A 98 98 LEU CA C 98 54.337 54.019 0.318 1
1 1293 . 7 1 1 A 98 98 LEU CB C 98 41.634 41.179 0.455 1
1 1297 . 7 1 1 A 98 98 LEU N N 98 123.414 126.862 -3.448 1
1 1298 . 7 1 1 A 99 99 HIS H H 99 8.749 8.901 -0.152 1
1 1299 . 7 1 1 A 99 99 HIS HA H 99 4.706 4.926 -0.220 1
1 1304 . 7 1 1 A 99 99 HIS C C 99 173.912 174.214 -0.302 1
1 1305 . 7 1 1 A 99 99 HIS CA C 99 55.183 54.763 0.420 1
1 1306 . 7 1 1 A 99 99 HIS CB C 99 29.916 28.211 1.705 1
1 1309 . 7 1 1 A 99 99 HIS N N 99 121.129 124.785 -3.656 1
1 1312 . 7 1 1 A 100 100 ALA H H 100 8.369 8.818 -0.449 1
1 1313 . 7 1 1 A 100 100 ALA HA H 100 4.518 4.782 -0.264 1
1 1317 . 7 1 1 A 100 100 ALA C C 100 177.533 178.273 -0.740 1
1 1318 . 7 1 1 A 100 100 ALA CA C 100 51.753 51.230 0.523 1
1 1319 . 7 1 1 A 100 100 ALA CB C 100 20.081 19.365 0.716 1
1 1320 . 7 1 1 A 100 100 ALA N N 100 125.646 128.153 -2.507 1
1 1321 . 7 1 1 A 101 101 SER H H 101 8.357 8.734 -0.377 1
1 1322 . 7 1 1 A 101 101 SER HA H 101 4.452 4.641 -0.189 1
1 1325 . 7 1 1 A 101 101 SER C C 101 174.729 174.369 0.360 1
1 1326 . 7 1 1 A 101 101 SER CA C 101 58.781 57.924 0.857 1
1 1327 . 7 1 1 A 101 101 SER CB C 101 63.865 63.505 0.360 1
1 1328 . 7 1 1 A 101 101 SER N N 101 115.505 120.605 -5.100 1
1 1329 . 7 1 1 A 102 102 VAL H H 102 7.884 7.513 0.371 1
1 1330 . 7 1 1 A 102 102 VAL HA H 102 4.111 4.130 -0.019 1
1 1338 . 7 1 1 A 102 102 VAL C C 102 175.837 174.982 0.855 1
1 1339 . 7 1 1 A 102 102 VAL CA C 102 62.237 62.518 -0.281 1
1 1340 . 7 1 1 A 102 102 VAL CB C 102 32.336 30.006 2.330 1
1 1343 . 7 1 1 A 102 102 VAL N N 102 120.880 122.256 -1.376 1
1 1344 . 7 1 1 A 103 103 LEU H H 103 8.170 8.397 -0.227 1
1 1345 . 7 1 1 A 103 103 LEU HA H 103 4.299 4.883 -0.584 1
1 1355 . 7 1 1 A 103 103 LEU C C 103 177.129 177.127 0.002 1
1 1356 . 7 1 1 A 103 103 LEU CA C 103 54.999 53.709 1.290 1
1 1357 . 7 1 1 A 103 103 LEU CB C 103 42.276 42.392 -0.116 1
1 1361 . 7 1 1 A 103 103 LEU N N 103 124.757 128.408 -3.651 1
1 1362 . 7 1 1 A 104 104 GLU H H 104 8.244 9.010 -0.766 1
1 1363 . 7 1 1 A 104 104 GLU HA H 104 4.175 4.269 -0.094 1
1 1368 . 7 1 1 A 104 104 GLU C C 104 176.153 176.347 -0.194 1
1 1369 . 7 1 1 A 104 104 GLU CA C 104 56.413 58.020 -1.607 1
1 1370 . 7 1 1 A 104 104 GLU CB C 104 30.270 29.674 0.596 1
1 1372 . 7 1 1 A 104 104 GLU N N 104 121.146 123.200 -2.054 1
1 1373 . 7 1 1 A 105 105 HIS H H 105 8.242 7.821 0.421 1
1 1376 . 7 1 1 A 105 105 HIS C C 105 174.967 173.575 1.392 1
1 1377 . 7 1 1 A 105 105 HIS CA C 105 56.137 54.309 1.828 1
1 1378 . 7 1 1 A 105 105 HIS CB C 105 30.290 28.454 1.836 1
1 13 . 8 1 1 A 2 2 ILE HA H 2 4.615 4.721 -0.106 1
1 23 . 8 1 1 A 2 2 ILE C C 2 175.630 173.762 1.868 1
1 24 . 8 1 1 A 2 2 ILE CA C 2 60.619 59.851 0.768 1
1 25 . 8 1 1 A 2 2 ILE CB C 2 40.542 41.538 -0.996 1
1 29 . 8 1 1 A 3 3 THR H H 3 9.133 8.663 0.470 1
1 30 . 8 1 1 A 3 3 THR HA H 3 4.656 4.517 0.139 1
1 36 . 8 1 1 A 3 3 THR C C 3 174.729 175.722 -0.993 1
1 37 . 8 1 1 A 3 3 THR CA C 3 61.509 61.641 -0.132 1
1 38 . 8 1 1 A 3 3 THR CB C 3 69.896 70.036 -0.140 1
1 40 . 8 1 1 A 3 3 THR N N 3 119.091 118.885 0.206 1
1 41 . 8 1 1 A 4 4 PHE H H 4 8.642 9.250 -0.608 1
1 42 . 8 1 1 A 4 4 PHE HA H 4 4.576 4.042 0.534 1
1 50 . 8 1 1 A 4 4 PHE C C 4 176.302 177.343 -1.041 1
1 51 . 8 1 1 A 4 4 PHE CA C 4 58.368 62.462 -4.094 1
1 52 . 8 1 1 A 4 4 PHE CB C 4 37.526 39.199 -1.673 1
1 56 . 8 1 1 A 4 4 PHE N N 4 122.510 122.963 -0.453 1
1 57 . 8 1 1 A 5 5 ALA H H 5 9.195 8.356 0.839 1
1 58 . 8 1 1 A 5 5 ALA HA H 5 3.692 3.891 -0.199 1
1 62 . 8 1 1 A 5 5 ALA C C 5 178.210 179.351 -1.141 1
1 63 . 8 1 1 A 5 5 ALA CA C 5 56.073 55.230 0.843 1
1 64 . 8 1 1 A 5 5 ALA CB C 5 17.897 18.137 -0.240 1
1 65 . 8 1 1 A 5 5 ALA N N 5 120.106 121.006 -0.900 1
1 66 . 8 1 1 A 6 6 ASP H H 6 7.978 8.264 -0.286 1
1 67 . 8 1 1 A 6 6 ASP HA H 6 4.615 4.544 0.071 1
1 70 . 8 1 1 A 6 6 ASP C C 6 179.370 178.095 1.275 1
1 71 . 8 1 1 A 6 6 ASP CA C 6 57.369 57.511 -0.142 1
1 72 . 8 1 1 A 6 6 ASP CB C 6 39.556 41.256 -1.700 1
1 73 . 8 1 1 A 6 6 ASP N N 6 115.486 118.649 -3.163 1
1 74 . 8 1 1 A 7 7 TYR H H 7 8.776 8.183 0.593 1
1 75 . 8 1 1 A 7 7 TYR HA H 7 3.984 4.359 -0.375 1
1 82 . 8 1 1 A 7 7 TYR C C 7 176.232 177.483 -1.251 1
1 83 . 8 1 1 A 7 7 TYR CA C 7 62.241 61.466 0.775 1
1 84 . 8 1 1 A 7 7 TYR CB C 7 38.521 38.170 0.351 1
1 87 . 8 1 1 A 7 7 TYR N N 7 120.885 120.434 0.451 1
1 88 . 8 1 1 A 8 8 PHE H H 8 9.024 8.297 0.727 1
1 89 . 8 1 1 A 8 8 PHE HA H 8 3.732 4.141 -0.409 1
1 97 . 8 1 1 A 8 8 PHE C C 8 176.261 177.009 -0.748 1
1 98 . 8 1 1 A 8 8 PHE CA C 8 62.936 62.006 0.930 1
1 99 . 8 1 1 A 8 8 PHE CB C 8 39.553 38.814 0.739 1
1 103 . 8 1 1 A 8 8 PHE N N 8 118.754 120.991 -2.237 1
1 104 . 8 1 1 A 9 9 TYR H H 9 8.202 8.249 -0.047 1
1 105 . 8 1 1 A 9 9 TYR HA H 9 3.742 4.040 -0.298 1
1 112 . 8 1 1 A 9 9 TYR C C 9 176.496 177.183 -0.687 1
1 113 . 8 1 1 A 9 9 TYR CA C 9 62.939 61.415 1.524 1
1 114 . 8 1 1 A 9 9 TYR CB C 9 37.941 38.319 -0.378 1
1 117 . 8 1 1 A 9 9 TYR N N 9 117.271 120.344 -3.073 1
1 118 . 8 1 1 A 10 10 GLN H H 10 8.029 8.590 -0.561 1
1 119 . 8 1 1 A 10 10 GLN HA H 10 3.928 3.985 -0.057 1
1 126 . 8 1 1 A 10 10 GLN C C 10 177.393 177.765 -0.372 1
1 127 . 8 1 1 A 10 10 GLN CA C 10 58.717 58.744 -0.027 1
1 128 . 8 1 1 A 10 10 GLN CB C 10 28.482 28.403 0.079 1
1 130 . 8 1 1 A 10 10 GLN N N 10 117.935 117.636 0.299 1
1 132 . 8 1 1 A 11 11 TRP H H 11 8.772 8.229 0.543 1
1 133 . 8 1 1 A 11 11 TRP HA H 11 3.690 4.120 -0.430 1
1 142 . 8 1 1 A 11 11 TRP C C 11 178.487 177.630 0.857 1
1 143 . 8 1 1 A 11 11 TRP CA C 11 61.256 60.647 0.609 1
1 144 . 8 1 1 A 11 11 TRP CB C 11 27.472 29.319 -1.847 1
1 150 . 8 1 1 A 11 11 TRP N N 11 121.577 121.843 -0.266 1
1 152 . 8 1 1 A 12 12 TYR H H 12 8.168 8.008 0.160 1
1 153 . 8 1 1 A 12 12 TYR HA H 12 2.938 3.300 -0.362 1
1 160 . 8 1 1 A 12 12 TYR C C 12 177.277 176.962 0.315 1
1 161 . 8 1 1 A 12 12 TYR CA C 12 59.178 60.983 -1.805 1
1 162 . 8 1 1 A 12 12 TYR CB C 12 36.729 38.035 -1.306 1
1 165 . 8 1 1 A 12 12 TYR N N 12 121.811 121.683 0.128 1
1 166 . 8 1 1 A 13 13 GLU H H 13 8.434 8.151 0.283 1
1 167 . 8 1 1 A 13 13 GLU HA H 13 2.996 3.329 -0.333 1
1 172 . 8 1 1 A 13 13 GLU C C 13 177.157 178.701 -1.544 1
1 173 . 8 1 1 A 13 13 GLU CA C 13 59.164 58.694 0.470 1
1 174 . 8 1 1 A 13 13 GLU CB C 13 29.447 29.280 0.167 1
1 176 . 8 1 1 A 13 13 GLU N N 13 123.599 119.174 4.425 1
1 177 . 8 1 1 A 14 14 VAL H H 14 7.605 7.567 0.038 1
1 178 . 8 1 1 A 14 14 VAL HA H 14 3.562 3.522 0.040 1
1 186 . 8 1 1 A 14 14 VAL C C 14 177.289 176.266 1.023 1
1 187 . 8 1 1 A 14 14 VAL CA C 14 64.338 65.815 -1.477 1
1 188 . 8 1 1 A 14 14 VAL CB C 14 32.669 30.984 1.685 1
1 191 . 8 1 1 A 14 14 VAL N N 14 113.566 119.726 -6.160 1
1 192 . 8 1 1 A 15 15 ASN H H 15 7.482 7.209 0.273 1
1 193 . 8 1 1 A 15 15 ASN HA H 15 4.429 4.637 -0.208 1
1 198 . 8 1 1 A 15 15 ASN C C 15 175.201 176.463 -1.262 1
1 199 . 8 1 1 A 15 15 ASN CA C 15 55.218 53.648 1.570 1
1 200 . 8 1 1 A 15 15 ASN CB C 15 39.927 39.238 0.689 1
1 201 . 8 1 1 A 15 15 ASN N N 15 112.195 116.987 -4.792 1
1 203 . 8 1 1 A 16 16 LYS H H 16 7.413 7.552 -0.139 1
1 204 . 8 1 1 A 16 16 LYS HA H 16 4.338 4.012 0.326 1
1 213 . 8 1 1 A 16 16 LYS C C 16 175.309 178.264 -2.955 1
1 214 . 8 1 1 A 16 16 LYS CA C 16 54.807 57.283 -2.476 1
1 215 . 8 1 1 A 16 16 LYS CB C 16 32.665 32.331 0.334 1
1 219 . 8 1 1 A 16 16 LYS N N 16 115.814 118.402 -2.588 1
1 220 . 8 1 1 A 17 17 LEU H H 17 7.490 7.157 0.333 1
1 221 . 8 1 1 A 17 17 LEU HA H 17 3.603 3.493 0.110 1
1 231 . 8 1 1 A 17 17 LEU C C 17 173.754 176.196 -2.442 1
1 232 . 8 1 1 A 17 17 LEU CA C 17 59.847 59.505 0.342 1
1 233 . 8 1 1 A 17 17 LEU CB C 17 39.552 39.628 -0.076 1
1 237 . 8 1 1 A 17 17 LEU N N 17 121.586 121.221 0.365 1
1 238 . 8 1 1 A 18 18 PRO HA H 18 4.107 4.231 -0.124 1
1 245 . 8 1 1 A 18 18 PRO C C 18 176.412 176.363 0.049 1
1 246 . 8 1 1 A 18 18 PRO CA C 18 64.656 63.901 0.755 1
1 247 . 8 1 1 A 18 18 PRO CB C 18 30.980 31.914 -0.934 1
1 250 . 8 1 1 A 19 19 HIS H H 19 7.631 7.667 -0.036 1
1 251 . 8 1 1 A 19 19 HIS HA H 19 4.857 4.619 0.238 1
1 256 . 8 1 1 A 19 19 HIS C C 19 175.822 175.043 0.779 1
1 257 . 8 1 1 A 19 19 HIS CA C 19 55.004 56.771 -1.767 1
1 258 . 8 1 1 A 19 19 HIS CB C 19 32.358 31.678 0.680 1
1 260 . 8 1 1 A 19 19 HIS N N 19 111.190 116.297 -5.107 1
1 263 . 8 1 1 A 20 20 VAL H H 20 7.124 7.510 -0.386 1
1 264 . 8 1 1 A 20 20 VAL HA H 20 4.728 4.178 0.550 1
1 272 . 8 1 1 A 20 20 VAL C C 20 175.497 175.840 -0.343 1
1 273 . 8 1 1 A 20 20 VAL CA C 20 60.134 61.422 -1.288 1
1 274 . 8 1 1 A 20 20 VAL CB C 20 34.199 33.096 1.103 1
1 277 . 8 1 1 A 20 20 VAL N N 20 112.191 116.569 -4.378 1
1 278 . 8 1 1 A 21 21 SER H H 21 8.589 8.960 -0.371 1
1 279 . 8 1 1 A 21 21 SER HA H 21 4.531 4.562 -0.031 1
1 282 . 8 1 1 A 21 21 SER C C 21 174.840 176.141 -1.301 1
1 283 . 8 1 1 A 21 21 SER CA C 21 57.236 58.133 -0.897 1
1 284 . 8 1 1 A 21 21 SER CB C 21 65.251 64.353 0.898 1
1 285 . 8 1 1 A 21 21 SER N N 21 116.825 119.818 -2.993 1
1 286 . 8 1 1 A 22 22 GLU H H 22 8.964 9.125 -0.161 1
1 287 . 8 1 1 A 22 22 GLU HA H 22 3.922 4.120 -0.198 1
1 292 . 8 1 1 A 22 22 GLU C C 22 178.606 178.775 -0.169 1
1 293 . 8 1 1 A 22 22 GLU CA C 22 59.837 59.328 0.509 1
1 294 . 8 1 1 A 22 22 GLU CB C 22 29.239 29.066 0.173 1
1 296 . 8 1 1 A 22 22 GLU N N 22 120.863 123.138 -2.275 1
1 297 . 8 1 1 A 23 23 SER H H 23 8.426 8.392 0.034 1
1 298 . 8 1 1 A 23 23 SER HA H 23 4.151 4.263 -0.112 1
1 301 . 8 1 1 A 23 23 SER C C 23 176.977 177.540 -0.563 1
1 302 . 8 1 1 A 23 23 SER CA C 23 61.220 61.426 -0.206 1
1 303 . 8 1 1 A 23 23 SER CB C 23 62.252 62.063 0.189 1
1 304 . 8 1 1 A 23 23 SER N N 23 112.196 115.823 -3.627 1
1 305 . 8 1 1 A 24 24 THR H H 24 7.749 8.212 -0.463 1
1 306 . 8 1 1 A 24 24 THR HA H 24 4.163 4.251 -0.088 1
1 311 . 8 1 1 A 24 24 THR C C 24 176.523 177.161 -0.638 1
1 312 . 8 1 1 A 24 24 THR CA C 24 66.045 66.871 -0.826 1
1 313 . 8 1 1 A 24 24 THR CB C 24 68.305 68.272 0.033 1
1 315 . 8 1 1 A 24 24 THR N N 24 120.348 117.684 2.664 1
1 316 . 8 1 1 A 25 25 LYS H H 25 8.605 8.121 0.484 1
1 317 . 8 1 1 A 25 25 LYS HA H 25 4.064 3.985 0.079 1
1 326 . 8 1 1 A 25 25 LYS C C 25 178.447 179.935 -1.488 1
1 327 . 8 1 1 A 25 25 LYS CA C 25 61.087 60.068 1.019 1
1 328 . 8 1 1 A 25 25 LYS CB C 25 32.717 32.087 0.630 1
1 332 . 8 1 1 A 25 25 LYS N N 25 123.593 120.509 3.084 1
1 333 . 8 1 1 A 26 26 ARG H H 26 7.485 7.841 -0.356 1
1 334 . 8 1 1 A 26 26 ARG HA H 26 4.146 4.155 -0.009 1
1 341 . 8 1 1 A 26 26 ARG C C 26 179.845 179.316 0.529 1
1 342 . 8 1 1 A 26 26 ARG CA C 26 58.916 59.097 -0.181 1
1 343 . 8 1 1 A 26 26 ARG CB C 26 30.384 29.656 0.728 1
1 346 . 8 1 1 A 26 26 ARG N N 26 114.116 119.444 -5.328 1
1 347 . 8 1 1 A 27 27 HIS H H 27 7.677 7.587 0.090 1
1 348 . 8 1 1 A 27 27 HIS HA H 27 4.757 4.413 0.344 1
1 353 . 8 1 1 A 27 27 HIS C C 27 179.743 177.321 2.422 1
1 354 . 8 1 1 A 27 27 HIS CA C 27 58.659 59.317 -0.658 1
1 355 . 8 1 1 A 27 27 HIS CB C 27 30.967 30.052 0.915 1
1 358 . 8 1 1 A 27 27 HIS N N 27 119.389 118.571 0.818 1
1 361 . 8 1 1 A 28 28 TYR H H 28 8.119 7.935 0.184 1
1 362 . 8 1 1 A 28 28 TYR HA H 28 4.009 4.144 -0.135 1
1 369 . 8 1 1 A 28 28 TYR C C 28 178.685 178.529 0.156 1
1 370 . 8 1 1 A 28 28 TYR CA C 28 63.311 61.869 1.442 1
1 371 . 8 1 1 A 28 28 TYR CB C 28 38.879 37.560 1.319 1
1 374 . 8 1 1 A 28 28 TYR N N 28 121.786 117.144 4.642 1
1 375 . 8 1 1 A 29 29 GLU H H 29 8.631 8.793 -0.162 1
1 376 . 8 1 1 A 29 29 GLU HA H 29 4.067 4.210 -0.143 1
1 381 . 8 1 1 A 29 29 GLU C C 29 179.950 179.056 0.894 1
1 382 . 8 1 1 A 29 29 GLU CA C 29 59.827 60.051 -0.224 1
1 383 . 8 1 1 A 29 29 GLU CB C 29 29.172 29.560 -0.388 1
1 385 . 8 1 1 A 29 29 GLU N N 29 119.090 120.493 -1.403 1
1 386 . 8 1 1 A 30 30 SER H H 30 8.307 8.176 0.131 1
1 387 . 8 1 1 A 30 30 SER HA H 30 4.467 4.299 0.168 1
1 390 . 8 1 1 A 30 30 SER C C 30 177.445 177.663 -0.218 1
1 391 . 8 1 1 A 30 30 SER CA C 30 61.068 61.699 -0.631 1
1 392 . 8 1 1 A 30 30 SER CB C 30 63.054 63.072 -0.018 1
1 393 . 8 1 1 A 30 30 SER N N 30 115.027 116.653 -1.626 1
1 394 . 8 1 1 A 31 31 ALA H H 31 8.319 8.168 0.151 1
1 395 . 8 1 1 A 31 31 ALA HA H 31 4.070 4.202 -0.132 1
1 399 . 8 1 1 A 31 31 ALA C C 31 178.488 179.239 -0.751 1
1 400 . 8 1 1 A 31 31 ALA CA C 31 55.926 55.172 0.754 1
1 401 . 8 1 1 A 31 31 ALA CB C 31 18.510 19.023 -0.513 1
1 402 . 8 1 1 A 31 31 ALA N N 31 124.966 123.057 1.909 1
1 403 . 8 1 1 A 32 32 TYR H H 32 8.537 8.902 -0.365 1
1 404 . 8 1 1 A 32 32 TYR HA H 32 4.114 4.441 -0.327 1
1 411 . 8 1 1 A 32 32 TYR C C 32 175.705 178.045 -2.340 1
1 412 . 8 1 1 A 32 32 TYR CA C 32 60.480 62.296 -1.816 1
1 413 . 8 1 1 A 32 32 TYR CB C 32 37.864 39.078 -1.214 1
1 416 . 8 1 1 A 32 32 TYR N N 32 116.814 120.384 -3.570 1
1 417 . 8 1 1 A 33 33 LYS H H 33 7.988 8.430 -0.442 1
1 418 . 8 1 1 A 33 33 LYS HA H 33 3.513 3.776 -0.263 1
1 427 . 8 1 1 A 33 33 LYS C C 33 178.474 179.725 -1.251 1
1 428 . 8 1 1 A 33 33 LYS CA C 33 59.810 59.698 0.112 1
1 429 . 8 1 1 A 33 33 LYS CB C 33 32.000 32.317 -0.317 1
1 433 . 8 1 1 A 33 33 LYS N N 33 119.358 118.109 1.249 1
1 434 . 8 1 1 A 34 34 HIS H H 34 8.187 7.693 0.494 1
1 435 . 8 1 1 A 34 34 HIS HA H 34 4.449 4.613 -0.164 1
1 440 . 8 1 1 A 34 34 HIS C C 34 178.948 178.280 0.668 1
1 441 . 8 1 1 A 34 34 HIS CA C 34 60.883 60.399 0.484 1
1 442 . 8 1 1 A 34 34 HIS CB C 34 28.843 30.474 -1.631 1
1 445 . 8 1 1 A 34 34 HIS N N 34 116.156 118.610 -2.454 1
1 448 . 8 1 1 A 35 35 ILE H H 35 8.676 7.922 0.754 1
1 449 . 8 1 1 A 35 35 ILE HA H 35 3.513 3.636 -0.123 1
1 459 . 8 1 1 A 35 35 ILE C C 35 177.630 178.325 -0.695 1
1 460 . 8 1 1 A 35 35 ILE CA C 35 65.690 64.990 0.700 1
1 461 . 8 1 1 A 35 35 ILE CB C 35 38.481 37.020 1.461 1
1 465 . 8 1 1 A 35 35 ILE N N 35 121.824 120.467 1.357 1
1 466 . 8 1 1 A 36 36 LYS H H 36 8.797 8.640 0.157 1
1 467 . 8 1 1 A 36 36 LYS HA H 36 3.712 3.855 -0.143 1
1 476 . 8 1 1 A 36 36 LYS C C 36 179.397 177.716 1.681 1
1 477 . 8 1 1 A 36 36 LYS CA C 36 59.860 58.877 0.983 1
1 478 . 8 1 1 A 36 36 LYS CB C 36 31.878 31.785 0.093 1
1 482 . 8 1 1 A 36 36 LYS N N 36 121.589 120.967 0.622 1
1 483 . 8 1 1 A 37 37 ASP H H 37 8.246 8.069 0.177 1
1 484 . 8 1 1 A 37 37 ASP HA H 37 4.336 4.329 0.007 1
1 487 . 8 1 1 A 37 37 ASP C C 37 177.234 177.986 -0.752 1
1 488 . 8 1 1 A 37 37 ASP CA C 37 56.932 57.300 -0.368 1
1 489 . 8 1 1 A 37 37 ASP CB C 37 40.576 41.362 -0.786 1
1 490 . 8 1 1 A 37 37 ASP N N 37 118.225 119.186 -0.961 1
1 491 . 8 1 1 A 38 38 HIS H H 38 7.867 7.948 -0.081 1
1 492 . 8 1 1 A 38 38 HIS HA H 38 4.284 4.312 -0.028 1
1 496 . 8 1 1 A 38 38 HIS C C 38 176.839 175.557 1.282 1
1 497 . 8 1 1 A 38 38 HIS CA C 38 59.389 58.879 0.510 1
1 498 . 8 1 1 A 38 38 HIS CB C 38 31.630 30.995 0.635 1
1 500 . 8 1 1 A 38 38 HIS N N 38 115.487 115.626 -0.139 1
1 501 . 8 1 1 A 39 39 PHE H H 39 9.082 8.436 0.646 1
1 502 . 8 1 1 A 39 39 PHE HA H 39 4.369 4.869 -0.500 1
1 510 . 8 1 1 A 39 39 PHE C C 39 175.890 175.928 -0.038 1
1 511 . 8 1 1 A 39 39 PHE CA C 39 60.159 56.122 4.037 1
1 512 . 8 1 1 A 39 39 PHE CB C 39 38.850 37.312 1.538 1
1 516 . 8 1 1 A 39 39 PHE N N 39 114.327 115.281 -0.954 1
1 517 . 8 1 1 A 40 40 ARG H H 40 8.104 8.473 -0.369 1
1 518 . 8 1 1 A 40 40 ARG HA H 40 3.921 4.338 -0.417 1
1 525 . 8 1 1 A 40 40 ARG C C 40 176.892 176.961 -0.069 1
1 526 . 8 1 1 A 40 40 ARG CA C 40 58.009 58.316 -0.307 1
1 527 . 8 1 1 A 40 40 ARG CB C 40 27.531 30.875 -3.344 1
1 530 . 8 1 1 A 40 40 ARG N N 40 118.379 123.938 -5.559 1
1 531 . 8 1 1 A 41 41 HIS H H 41 8.589 8.161 0.428 1
1 532 . 8 1 1 A 41 41 HIS HA H 41 4.910 4.946 -0.036 1
1 536 . 8 1 1 A 41 41 HIS C C 41 174.835 174.694 0.141 1
1 537 . 8 1 1 A 41 41 HIS CA C 41 55.473 55.882 -0.409 1
1 538 . 8 1 1 A 41 41 HIS CB C 41 29.720 30.899 -1.179 1
1 540 . 8 1 1 A 41 41 HIS N N 41 123.828 111.881 11.947 1
1 541 . 8 1 1 A 42 42 LYS H H 42 8.326 7.827 0.499 1
1 542 . 8 1 1 A 42 42 LYS HA H 42 4.181 4.606 -0.425 1
1 551 . 8 1 1 A 42 42 LYS C C 42 177.973 176.540 1.433 1
1 552 . 8 1 1 A 42 42 LYS CA C 42 58.201 55.940 2.261 1
1 553 . 8 1 1 A 42 42 LYS CB C 42 33.047 33.875 -0.828 1
1 557 . 8 1 1 A 42 42 LYS N N 42 121.129 121.811 -0.682 1
1 558 . 8 1 1 A 43 43 LEU H H 43 9.243 8.643 0.600 1
1 559 . 8 1 1 A 43 43 LEU HA H 43 4.346 4.566 -0.220 1
1 569 . 8 1 1 A 43 43 LEU C C 43 177.840 178.009 -0.169 1
1 570 . 8 1 1 A 43 43 LEU CA C 43 55.420 54.912 0.508 1
1 571 . 8 1 1 A 43 43 LEU CB C 43 40.936 42.532 -1.596 1
1 575 . 8 1 1 A 43 43 LEU N N 43 124.529 128.103 -3.574 1
1 576 . 8 1 1 A 44 44 LEU H H 44 8.404 8.944 -0.540 1
1 577 . 8 1 1 A 44 44 LEU HA H 44 3.681 3.976 -0.295 1
1 587 . 8 1 1 A 44 44 LEU C C 44 177.962 177.994 -0.032 1
1 588 . 8 1 1 A 44 44 LEU CA C 44 58.773 58.271 0.502 1
1 589 . 8 1 1 A 44 44 LEU CB C 44 42.661 41.216 1.445 1
1 593 . 8 1 1 A 44 44 LEU N N 44 123.643 126.104 -2.461 1
1 594 . 8 1 1 A 45 45 LYS HA H 45 4.126 4.200 -0.074 1
1 603 . 8 1 1 A 45 45 LYS C C 45 175.533 176.756 -1.223 1
1 604 . 8 1 1 A 45 45 LYS CA C 45 57.405 58.231 -0.826 1
1 605 . 8 1 1 A 45 45 LYS CB C 45 31.650 32.467 -0.817 1
1 609 . 8 1 1 A 46 46 ASP H H 46 7.520 8.069 -0.549 1
1 610 . 8 1 1 A 46 46 ASP HA H 46 4.888 4.707 0.181 1
1 613 . 8 1 1 A 46 46 ASP C C 46 175.811 176.312 -0.501 1
1 614 . 8 1 1 A 46 46 ASP CA C 46 54.268 53.275 0.993 1
1 615 . 8 1 1 A 46 46 ASP CB C 46 42.178 40.965 1.213 1
1 616 . 8 1 1 A 46 46 ASP N N 46 118.587 119.092 -0.505 1
1 617 . 8 1 1 A 47 47 ILE H H 47 6.965 7.141 -0.176 1
1 618 . 8 1 1 A 47 47 ILE HA H 47 4.048 3.935 0.113 1
1 628 . 8 1 1 A 47 47 ILE C C 47 175.362 175.057 0.305 1
1 629 . 8 1 1 A 47 47 ILE CA C 47 59.826 61.055 -1.229 1
1 630 . 8 1 1 A 47 47 ILE CB C 47 34.389 36.534 -2.145 1
1 634 . 8 1 1 A 47 47 ILE N N 47 119.126 122.099 -2.973 1
1 635 . 8 1 1 A 48 48 LYS H H 48 8.489 8.118 0.371 1
1 636 . 8 1 1 A 48 48 LYS HA H 48 4.635 4.211 0.424 1
1 645 . 8 1 1 A 48 48 LYS C C 48 177.252 177.814 -0.562 1
1 646 . 8 1 1 A 48 48 LYS CA C 48 54.357 56.669 -2.312 1
1 647 . 8 1 1 A 48 48 LYS CB C 48 34.753 33.071 1.682 1
1 651 . 8 1 1 A 48 48 LYS N N 48 127.892 128.233 -0.341 1
1 652 . 8 1 1 A 49 49 ARG H H 49 8.816 8.619 0.197 1
1 653 . 8 1 1 A 49 49 ARG HA H 49 4.314 4.040 0.274 1
1 660 . 8 1 1 A 49 49 ARG C C 49 178.464 178.376 0.088 1
1 661 . 8 1 1 A 49 49 ARG CA C 49 60.341 58.537 1.804 1
1 662 . 8 1 1 A 49 49 ARG CB C 49 30.197 29.926 0.271 1
1 665 . 8 1 1 A 49 49 ARG N N 49 122.736 125.809 -3.073 1
1 666 . 8 1 1 A 50 50 THR H H 50 8.269 7.923 0.346 1
1 667 . 8 1 1 A 50 50 THR HA H 50 4.079 3.851 0.228 1
1 672 . 8 1 1 A 50 50 THR C C 50 177.316 177.024 0.292 1
1 673 . 8 1 1 A 50 50 THR CA C 50 65.501 67.395 -1.894 1
1 674 . 8 1 1 A 50 50 THR CB C 50 67.951 68.186 -0.235 1
1 676 . 8 1 1 A 50 50 THR N N 50 110.696 117.409 -6.713 1
1 677 . 8 1 1 A 51 51 GLU H H 51 7.260 7.916 -0.656 1
1 678 . 8 1 1 A 51 51 GLU HA H 51 4.239 4.252 -0.013 1
1 683 . 8 1 1 A 51 51 GLU C C 51 179.621 178.748 0.873 1
1 684 . 8 1 1 A 51 51 GLU CA C 51 58.921 59.486 -0.565 1
1 685 . 8 1 1 A 51 51 GLU CB C 51 29.916 29.621 0.295 1
1 687 . 8 1 1 A 51 51 GLU N N 51 121.344 119.959 1.385 1
1 688 . 8 1 1 A 52 52 TYR H H 52 8.678 8.383 0.295 1
1 689 . 8 1 1 A 52 52 TYR HA H 52 4.376 4.225 0.151 1
1 697 . 8 1 1 A 52 52 TYR C C 52 176.120 177.595 -1.475 1
1 698 . 8 1 1 A 52 52 TYR CA C 52 62.660 61.567 1.093 1
1 699 . 8 1 1 A 52 52 TYR CB C 52 38.206 38.419 -0.213 1
1 702 . 8 1 1 A 52 52 TYR N N 52 122.483 122.238 0.245 1
1 703 . 8 1 1 A 53 53 GLN H H 53 8.801 8.537 0.264 1
1 704 . 8 1 1 A 53 53 GLN HA H 53 3.721 3.836 -0.115 1
1 711 . 8 1 1 A 53 53 GLN C C 53 177.894 177.985 -0.091 1
1 712 . 8 1 1 A 53 53 GLN CA C 53 58.111 58.713 -0.602 1
1 713 . 8 1 1 A 53 53 GLN CB C 53 28.909 28.424 0.485 1
1 715 . 8 1 1 A 53 53 GLN N N 53 118.817 118.295 0.522 1
1 717 . 8 1 1 A 54 54 LYS H H 54 7.685 7.778 -0.093 1
1 718 . 8 1 1 A 54 54 LYS HA H 54 4.051 4.060 -0.009 1
1 727 . 8 1 1 A 54 54 LYS C C 54 178.918 178.943 -0.025 1
1 728 . 8 1 1 A 54 54 LYS CA C 54 59.845 59.427 0.418 1
1 729 . 8 1 1 A 54 54 LYS CB C 54 32.339 32.274 0.065 1
1 733 . 8 1 1 A 54 54 LYS N N 54 118.629 118.915 -0.286 1
1 734 . 8 1 1 A 55 55 PHE H H 55 7.533 8.194 -0.661 1
1 735 . 8 1 1 A 55 55 PHE HA H 55 3.660 3.986 -0.326 1
1 743 . 8 1 1 A 55 55 PHE C C 55 176.180 176.900 -0.720 1
1 744 . 8 1 1 A 55 55 PHE CA C 55 59.494 61.137 -1.643 1
1 745 . 8 1 1 A 55 55 PHE CB C 55 38.189 38.968 -0.779 1
1 749 . 8 1 1 A 55 55 PHE N N 55 120.449 120.500 -0.051 1
1 750 . 8 1 1 A 56 56 LEU H H 56 8.019 8.452 -0.433 1
1 751 . 8 1 1 A 56 56 LEU HA H 56 3.254 3.622 -0.368 1
1 761 . 8 1 1 A 56 56 LEU C C 56 179.581 179.090 0.491 1
1 762 . 8 1 1 A 56 56 LEU CA C 56 57.366 57.566 -0.200 1
1 763 . 8 1 1 A 56 56 LEU CB C 56 41.462 41.042 0.420 1
1 767 . 8 1 1 A 56 56 LEU N N 56 120.223 119.866 0.357 1
1 768 . 8 1 1 A 57 57 ASN H H 57 8.427 8.460 -0.033 1
1 769 . 8 1 1 A 57 57 ASN HA H 57 4.324 4.434 -0.110 1
1 774 . 8 1 1 A 57 57 ASN C C 57 178.105 178.545 -0.440 1
1 775 . 8 1 1 A 57 57 ASN CA C 57 55.194 56.651 -1.457 1
1 776 . 8 1 1 A 57 57 ASN CB C 57 36.948 37.755 -0.807 1
1 777 . 8 1 1 A 57 57 ASN N N 57 118.422 118.540 -0.118 1
1 779 . 8 1 1 A 58 58 GLU H H 58 7.873 8.075 -0.202 1
1 780 . 8 1 1 A 58 58 GLU HA H 58 4.063 4.055 0.008 1
1 785 . 8 1 1 A 58 58 GLU C C 58 179.660 178.612 1.048 1
1 786 . 8 1 1 A 58 58 GLU CA C 58 59.064 58.739 0.325 1
1 787 . 8 1 1 A 58 58 GLU CB C 58 29.592 29.505 0.087 1
1 789 . 8 1 1 A 58 58 GLU N N 58 121.129 120.016 1.113 1
1 790 . 8 1 1 A 59 59 TYR H H 59 8.638 7.819 0.819 1
1 791 . 8 1 1 A 59 59 TYR HA H 59 3.949 3.994 -0.045 1
1 798 . 8 1 1 A 59 59 TYR C C 59 179.907 178.179 1.728 1
1 799 . 8 1 1 A 59 59 TYR CA C 59 61.870 61.013 0.857 1
1 800 . 8 1 1 A 59 59 TYR CB C 59 38.156 38.063 0.093 1
1 803 . 8 1 1 A 59 59 TYR N N 59 124.461 121.725 2.736 1
1 804 . 8 1 1 A 60 60 GLY H H 60 8.925 8.671 0.254 1
1 805 . 8 1 1 A 60 60 GLY HA2 H 60 3.947 3.981 -0.034 1
1 806 . 8 1 1 A 60 60 GLY HA3 H 60 4.175 3.983 0.192 1
1 807 . 8 1 1 A 60 60 GLY C C 60 173.294 174.809 -1.515 1
1 808 . 8 1 1 A 60 60 GLY CA C 60 46.424 45.923 0.501 1
1 809 . 8 1 1 A 60 60 GLY N N 60 107.578 106.224 1.354 1
1 810 . 8 1 1 A 61 61 LEU H H 61 7.448 7.828 -0.380 1
1 811 . 8 1 1 A 61 61 LEU HA H 61 4.238 4.287 -0.049 1
1 821 . 8 1 1 A 61 61 LEU C C 61 179.159 177.844 1.315 1
1 822 . 8 1 1 A 61 61 LEU CA C 61 57.274 55.530 1.744 1
1 823 . 8 1 1 A 61 61 LEU CB C 61 42.304 42.427 -0.123 1
1 827 . 8 1 1 A 61 61 LEU N N 61 118.202 120.081 -1.879 1
1 828 . 8 1 1 A 62 62 THR H H 62 6.974 7.385 -0.411 1
1 829 . 8 1 1 A 62 62 THR HA H 62 4.385 4.532 -0.147 1
1 834 . 8 1 1 A 62 62 THR C C 62 173.170 173.426 -0.256 1
1 835 . 8 1 1 A 62 62 THR CA C 62 59.813 60.996 -1.183 1
1 836 . 8 1 1 A 62 62 THR CB C 62 69.697 70.136 -0.439 1
1 838 . 8 1 1 A 62 62 THR N N 62 101.223 105.044 -3.821 1
1 839 . 8 1 1 A 63 63 HIS H H 63 7.041 7.393 -0.352 1
1 840 . 8 1 1 A 63 63 HIS HA H 63 4.861 4.970 -0.109 1
1 845 . 8 1 1 A 63 63 HIS C C 63 172.567 174.400 -1.833 1
1 846 . 8 1 1 A 63 63 HIS CA C 63 55.522 54.387 1.135 1
1 847 . 8 1 1 A 63 63 HIS CB C 63 32.328 33.406 -1.078 1
1 850 . 8 1 1 A 63 63 HIS N N 63 116.818 119.584 -2.766 1
1 853 . 8 1 1 A 64 64 SER H H 64 8.717 8.291 0.426 1
1 854 . 8 1 1 A 64 64 SER HA H 64 4.582 4.581 0.001 1
1 857 . 8 1 1 A 64 64 SER C C 64 174.545 175.630 -1.085 1
1 858 . 8 1 1 A 64 64 SER CA C 64 57.169 58.143 -0.974 1
1 859 . 8 1 1 A 64 64 SER CB C 64 65.484 64.538 0.946 1
1 860 . 8 1 1 A 64 64 SER N N 64 116.128 117.600 -1.472 1
1 861 . 8 1 1 A 65 65 TYR H H 65 9.054 9.169 -0.115 1
1 862 . 8 1 1 A 65 65 TYR HA H 65 4.059 4.148 -0.089 1
1 869 . 8 1 1 A 65 65 TYR C C 65 176.918 177.344 -0.426 1
1 870 . 8 1 1 A 65 65 TYR CA C 65 61.906 62.575 -0.669 1
1 871 . 8 1 1 A 65 65 TYR CB C 65 38.185 38.706 -0.521 1
1 874 . 8 1 1 A 65 65 TYR N N 65 121.679 124.083 -2.404 1
1 875 . 8 1 1 A 66 66 GLU H H 66 8.965 8.341 0.624 1
1 876 . 8 1 1 A 66 66 GLU HA H 66 3.888 3.910 -0.022 1
1 881 . 8 1 1 A 66 66 GLU C C 66 178.764 179.317 -0.553 1
1 882 . 8 1 1 A 66 66 GLU CA C 66 59.329 59.459 -0.130 1
1 883 . 8 1 1 A 66 66 GLU CB C 66 28.874 29.535 -0.661 1
1 885 . 8 1 1 A 66 66 GLU N N 66 117.723 118.041 -0.318 1
1 886 . 8 1 1 A 67 67 THR H H 67 7.626 8.129 -0.503 1
1 887 . 8 1 1 A 67 67 THR HA H 67 3.864 4.067 -0.203 1
1 892 . 8 1 1 A 67 67 THR C C 67 176.681 176.526 0.155 1
1 893 . 8 1 1 A 67 67 THR CA C 67 66.368 67.206 -0.838 1
1 894 . 8 1 1 A 67 67 THR CB C 67 68.290 68.494 -0.204 1
1 896 . 8 1 1 A 67 67 THR N N 67 116.084 118.059 -1.975 1
1 897 . 8 1 1 A 68 68 ILE H H 68 8.324 7.835 0.489 1
1 898 . 8 1 1 A 68 68 ILE HA H 68 3.686 3.762 -0.076 1
1 908 . 8 1 1 A 68 68 ILE C C 68 176.527 177.274 -0.747 1
1 909 . 8 1 1 A 68 68 ILE CA C 68 65.205 62.776 2.429 1
1 910 . 8 1 1 A 68 68 ILE CB C 68 38.355 37.675 0.680 1
1 914 . 8 1 1 A 68 68 ILE N N 68 123.174 120.894 2.280 1
1 915 . 8 1 1 A 69 69 ARG H H 69 8.407 7.959 0.448 1
1 916 . 8 1 1 A 69 69 ARG HA H 69 3.673 3.683 -0.010 1
1 923 . 8 1 1 A 69 69 ARG C C 69 179.687 178.704 0.983 1
1 924 . 8 1 1 A 69 69 ARG CA C 69 59.577 59.662 -0.085 1
1 925 . 8 1 1 A 69 69 ARG CB C 69 29.560 29.616 -0.056 1
1 928 . 8 1 1 A 69 69 ARG N N 69 121.358 121.651 -0.293 1
1 929 . 8 1 1 A 70 70 LYS H H 70 7.562 8.000 -0.438 1
1 930 . 8 1 1 A 70 70 LYS HA H 70 3.617 3.665 -0.048 1
1 939 . 8 1 1 A 70 70 LYS C C 70 177.129 178.145 -1.016 1
1 940 . 8 1 1 A 70 70 LYS CA C 70 59.380 58.889 0.491 1
1 941 . 8 1 1 A 70 70 LYS CB C 70 31.978 31.886 0.092 1
1 945 . 8 1 1 A 70 70 LYS N N 70 120.218 118.233 1.985 1
1 946 . 8 1 1 A 71 71 LEU H H 71 7.640 7.917 -0.277 1
1 947 . 8 1 1 A 71 71 LEU HA H 71 3.629 3.772 -0.143 1
1 957 . 8 1 1 A 71 71 LEU C C 71 178.157 178.216 -0.059 1
1 958 . 8 1 1 A 71 71 LEU CA C 71 58.477 58.252 0.225 1
1 959 . 8 1 1 A 71 71 LEU CB C 71 41.262 41.384 -0.122 1
1 963 . 8 1 1 A 71 71 LEU N N 71 119.991 122.052 -2.061 1
1 964 . 8 1 1 A 72 72 ASN H H 72 8.474 8.248 0.226 1
1 965 . 8 1 1 A 72 72 ASN HA H 72 4.485 4.888 -0.403 1
1 970 . 8 1 1 A 72 72 ASN C C 72 176.285 177.658 -1.373 1
1 971 . 8 1 1 A 72 72 ASN CA C 72 56.424 56.869 -0.445 1
1 972 . 8 1 1 A 72 72 ASN CB C 72 39.544 39.556 -0.012 1
1 973 . 8 1 1 A 72 72 ASN N N 72 114.097 117.445 -3.348 1
1 975 . 8 1 1 A 73 73 SER H H 73 7.878 7.843 0.035 1
1 976 . 8 1 1 A 73 73 SER HA H 73 4.177 4.190 -0.013 1
1 979 . 8 1 1 A 73 73 SER C C 73 176.734 176.589 0.145 1
1 980 . 8 1 1 A 73 73 SER CA C 73 61.741 62.253 -0.512 1
1 981 . 8 1 1 A 73 73 SER CB C 73 62.573 63.183 -0.610 1
1 982 . 8 1 1 A 73 73 SER N N 73 115.022 116.788 -1.766 1
1 983 . 8 1 1 A 74 74 TYR H H 74 8.078 7.655 0.423 1
1 984 . 8 1 1 A 74 74 TYR HA H 74 5.168 4.637 0.531 1
1 991 . 8 1 1 A 74 74 TYR C C 74 178.436 178.423 0.013 1
1 992 . 8 1 1 A 74 74 TYR CA C 74 58.023 61.490 -3.467 1
1 993 . 8 1 1 A 74 74 TYR CB C 74 37.835 38.373 -0.538 1
1 996 . 8 1 1 A 74 74 TYR N N 74 122.937 119.975 2.962 1
1 997 . 8 1 1 A 75 75 ILE H H 75 8.264 8.528 -0.264 1
1 998 . 8 1 1 A 75 75 ILE HA H 75 3.647 3.864 -0.217 1
1 1008 . 8 1 1 A 75 75 ILE C C 75 177.656 177.945 -0.289 1
1 1009 . 8 1 1 A 75 75 ILE CA C 75 66.349 65.683 0.666 1
1 1010 . 8 1 1 A 75 75 ILE CB C 75 37.494 37.599 -0.105 1
1 1014 . 8 1 1 A 75 75 ILE N N 75 119.080 120.436 -1.356 1
1 1015 . 8 1 1 A 76 76 ARG H H 76 9.316 8.764 0.552 1
1 1016 . 8 1 1 A 76 76 ARG HA H 76 3.896 4.038 -0.142 1
1 1024 . 8 1 1 A 76 76 ARG C C 76 179.033 179.551 -0.518 1
1 1025 . 8 1 1 A 76 76 ARG CA C 76 60.536 59.788 0.748 1
1 1026 . 8 1 1 A 76 76 ARG CB C 76 30.238 30.174 0.064 1
1 1029 . 8 1 1 A 76 76 ARG N N 76 121.985 120.710 1.275 1
1 1031 . 8 1 1 A 77 77 ASN H H 77 8.003 8.285 -0.282 1
1 1032 . 8 1 1 A 77 77 ASN HA H 77 4.605 4.502 0.103 1
1 1037 . 8 1 1 A 77 77 ASN C C 77 177.146 177.936 -0.790 1
1 1038 . 8 1 1 A 77 77 ASN CA C 77 55.755 56.169 -0.414 1
1 1039 . 8 1 1 A 77 77 ASN CB C 77 38.857 38.050 0.807 1
1 1040 . 8 1 1 A 77 77 ASN N N 77 117.750 118.011 -0.261 1
1 1042 . 8 1 1 A 78 78 ALA H H 78 8.082 7.379 0.703 1
1 1043 . 8 1 1 A 78 78 ALA HA H 78 2.351 2.940 -0.589 1
1 1047 . 8 1 1 A 78 78 ALA C C 78 181.084 179.780 1.304 1
1 1048 . 8 1 1 A 78 78 ALA CA C 78 54.703 54.349 0.354 1
1 1049 . 8 1 1 A 78 78 ALA CB C 78 16.121 17.672 -1.551 1
1 1050 . 8 1 1 A 78 78 ALA N N 78 124.770 122.946 1.824 1
1 1051 . 8 1 1 A 79 79 PHE H H 79 8.603 8.040 0.563 1
1 1052 . 8 1 1 A 79 79 PHE HA H 79 3.974 4.155 -0.181 1
1 1060 . 8 1 1 A 79 79 PHE C C 79 177.841 177.995 -0.154 1
1 1061 . 8 1 1 A 79 79 PHE CA C 79 63.302 62.958 0.344 1
1 1062 . 8 1 1 A 79 79 PHE CB C 79 40.594 38.690 1.904 1
1 1066 . 8 1 1 A 79 79 PHE N N 79 116.847 115.640 1.207 1
1 1067 . 8 1 1 A 80 80 ASP H H 80 8.298 8.673 -0.375 1
1 1068 . 8 1 1 A 80 80 ASP HA H 80 4.620 4.242 0.378 1
1 1071 . 8 1 1 A 80 80 ASP C C 80 179.845 177.688 2.157 1
1 1072 . 8 1 1 A 80 80 ASP CA C 80 57.957 57.688 0.269 1
1 1073 . 8 1 1 A 80 80 ASP CB C 80 39.595 41.895 -2.300 1
1 1074 . 8 1 1 A 80 80 ASP N N 80 121.362 119.862 1.500 1
1 1075 . 8 1 1 A 81 81 ASP H H 81 8.051 7.966 0.085 1
1 1076 . 8 1 1 A 81 81 ASP HA H 81 4.724 4.185 0.539 1
1 1079 . 8 1 1 A 81 81 ASP C C 81 177.963 178.041 -0.078 1
1 1080 . 8 1 1 A 81 81 ASP CA C 81 57.537 56.917 0.620 1
1 1081 . 8 1 1 A 81 81 ASP CB C 81 39.463 40.851 -1.388 1
1 1082 . 8 1 1 A 81 81 ASP N N 81 122.166 119.134 3.032 1
1 1083 . 8 1 1 A 82 82 ALA H H 82 8.025 7.907 0.118 1
1 1084 . 8 1 1 A 82 82 ALA HA H 82 4.106 4.208 -0.102 1
1 1088 . 8 1 1 A 82 82 ALA C C 82 180.223 180.173 0.050 1
1 1089 . 8 1 1 A 82 82 ALA CA C 82 55.194 55.246 -0.052 1
1 1090 . 8 1 1 A 82 82 ALA CB C 82 17.947 17.974 -0.027 1
1 1091 . 8 1 1 A 82 82 ALA N N 82 124.747 121.093 3.654 1
1 1092 . 8 1 1 A 83 83 ILE H H 83 8.327 8.002 0.325 1
1 1093 . 8 1 1 A 83 83 ILE HA H 83 4.235 3.827 0.408 1
1 1103 . 8 1 1 A 83 83 ILE C C 83 180.768 178.756 2.012 1
1 1104 . 8 1 1 A 83 83 ILE CA C 83 63.966 65.052 -1.086 1
1 1105 . 8 1 1 A 83 83 ILE CB C 83 38.254 36.949 1.305 1
1 1109 . 8 1 1 A 83 83 ILE N N 83 120.907 119.622 1.285 1
1 1110 . 8 1 1 A 84 84 HIS H H 84 7.934 7.702 0.232 1
1 1111 . 8 1 1 A 84 84 HIS HA H 84 4.434 4.296 0.138 1
1 1116 . 8 1 1 A 84 84 HIS C C 84 178.250 177.527 0.723 1
1 1117 . 8 1 1 A 84 84 HIS CA C 84 59.042 59.553 -0.511 1
1 1118 . 8 1 1 A 84 84 HIS CB C 84 28.750 29.996 -1.246 1
1 1121 . 8 1 1 A 84 84 HIS N N 84 121.346 120.098 1.248 1
1 1124 . 8 1 1 A 85 85 GLU H H 85 8.074 7.535 0.539 1
1 1125 . 8 1 1 A 85 85 GLU HA H 85 4.192 4.320 -0.128 1
1 1130 . 8 1 1 A 85 85 GLU C C 85 176.510 176.752 -0.242 1
1 1131 . 8 1 1 A 85 85 GLU CA C 85 56.512 57.330 -0.818 1
1 1132 . 8 1 1 A 85 85 GLU CB C 85 30.284 30.505 -0.221 1
1 1134 . 8 1 1 A 85 85 GLU N N 85 115.467 117.438 -1.971 1
1 1135 . 8 1 1 A 86 86 GLY H H 86 7.715 7.951 -0.236 1
1 1136 . 8 1 1 A 86 86 GLY HA2 H 86 3.844 4.036 -0.192 1
1 1137 . 8 1 1 A 86 86 GLY HA3 H 86 4.136 4.052 0.084 1
1 1138 . 8 1 1 A 86 86 GLY C C 86 175.243 174.564 0.679 1
1 1139 . 8 1 1 A 86 86 GLY CA C 86 45.108 46.011 -0.903 1
1 1140 . 8 1 1 A 86 86 GLY N N 86 105.999 107.678 -1.679 1
1 1141 . 8 1 1 A 87 87 TYR H H 87 8.173 8.641 -0.468 1
1 1142 . 8 1 1 A 87 87 TYR HA H 87 4.396 4.398 -0.002 1
1 1149 . 8 1 1 A 87 87 TYR CA C 87 59.317 60.458 -1.141 1
1 1150 . 8 1 1 A 87 87 TYR CB C 87 39.558 39.788 -0.230 1
1 1153 . 8 1 1 A 87 87 TYR N N 87 118.412 120.679 -2.267 1
1 1154 . 8 1 1 A 88 88 VAL HA H 88 4.583 4.389 0.194 1
1 1162 . 8 1 1 A 88 88 VAL CB C 88 36.112 34.538 1.574 1
1 1165 . 8 1 1 A 89 89 ILE HA H 89 4.426 3.891 0.535 1
1 1175 . 8 1 1 A 89 89 ILE CA C 89 61.984 64.081 -2.097 1
1 1176 . 8 1 1 A 89 89 ILE CB C 89 39.850 38.267 1.583 1
1 1180 . 8 1 1 A 90 90 LYS H H 90 7.387 7.435 -0.048 1
1 1181 . 8 1 1 A 90 90 LYS HA H 90 4.508 4.576 -0.068 1
1 1190 . 8 1 1 A 90 90 LYS C C 90 174.665 173.554 1.111 1
1 1191 . 8 1 1 A 90 90 LYS CA C 90 54.111 54.700 -0.589 1
1 1192 . 8 1 1 A 90 90 LYS CB C 90 35.086 36.163 -1.077 1
1 1196 . 8 1 1 A 91 91 ASN H H 91 8.803 8.596 0.207 1
1 1197 . 8 1 1 A 91 91 ASN HA H 91 4.279 4.621 -0.342 1
1 1202 . 8 1 1 A 91 91 ASN CB C 91 38.879 39.664 -0.785 1
1 1203 . 8 1 1 A 91 91 ASN N N 91 120.903 119.557 1.346 1
1 1205 . 8 1 1 A 92 92 PRO HA H 92 4.206 4.212 -0.006 1
1 1212 . 8 1 1 A 92 92 PRO C C 92 174.751 176.715 -1.964 1
1 1213 . 8 1 1 A 92 92 PRO CA C 92 63.927 63.366 0.561 1
1 1214 . 8 1 1 A 92 92 PRO CB C 92 30.969 31.456 -0.487 1
1 1217 . 8 1 1 A 93 93 THR H H 93 7.441 7.314 0.127 1
1 1218 . 8 1 1 A 93 93 THR HA H 93 4.093 4.216 -0.123 1
1 1224 . 8 1 1 A 93 93 THR C C 93 175.922 175.383 0.539 1
1 1225 . 8 1 1 A 93 93 THR CA C 93 62.221 62.014 0.207 1
1 1226 . 8 1 1 A 93 93 THR CB C 93 69.463 69.366 0.097 1
1 1228 . 8 1 1 A 93 93 THR N N 93 105.991 110.125 -4.134 1
1 1229 . 8 1 1 A 94 94 TYR H H 94 7.139 7.779 -0.640 1
1 1230 . 8 1 1 A 94 94 TYR HA H 94 4.393 4.043 0.350 1
1 1237 . 8 1 1 A 94 94 TYR C C 94 176.180 176.659 -0.479 1
1 1238 . 8 1 1 A 94 94 TYR CA C 94 58.272 61.515 -3.243 1
1 1239 . 8 1 1 A 94 94 TYR CB C 94 37.490 38.813 -1.323 1
1 1242 . 8 1 1 A 94 94 TYR N N 94 124.098 122.552 1.546 1
1 1243 . 8 1 1 A 95 95 LYS H H 95 8.904 7.737 1.167 1
1 1244 . 8 1 1 A 95 95 LYS HA H 95 3.758 4.456 -0.698 1
1 1253 . 8 1 1 A 95 95 LYS C C 95 175.547 175.147 0.400 1
1 1254 . 8 1 1 A 95 95 LYS CA C 95 57.078 55.046 2.032 1
1 1255 . 8 1 1 A 95 95 LYS CB C 95 29.962 32.157 -2.195 1
1 1259 . 8 1 1 A 95 95 LYS N N 95 121.317 119.198 2.119 1
1 1260 . 8 1 1 A 96 96 ALA H H 96 7.583 8.067 -0.484 1
1 1261 . 8 1 1 A 96 96 ALA HA H 96 4.157 5.083 -0.926 1
1 1265 . 8 1 1 A 96 96 ALA C C 96 177.630 175.941 1.689 1
1 1266 . 8 1 1 A 96 96 ALA CA C 96 53.298 51.722 1.576 1
1 1267 . 8 1 1 A 96 96 ALA CB C 96 18.807 21.082 -2.275 1
1 1268 . 8 1 1 A 96 96 ALA N N 96 121.832 126.417 -4.585 1
1 1269 . 8 1 1 A 97 97 GLU H H 97 9.243 8.971 0.272 1
1 1270 . 8 1 1 A 97 97 GLU HA H 97 4.347 5.056 -0.709 1
1 1275 . 8 1 1 A 97 97 GLU C C 97 175.890 175.411 0.479 1
1 1276 . 8 1 1 A 97 97 GLU CA C 97 55.198 54.671 0.527 1
1 1277 . 8 1 1 A 97 97 GLU CB C 97 30.931 33.238 -2.307 1
1 1279 . 8 1 1 A 97 97 GLU N N 97 121.989 121.693 0.296 1
1 1280 . 8 1 1 A 98 98 LEU H H 98 8.401 8.896 -0.495 1
1 1281 . 8 1 1 A 98 98 LEU HA H 98 4.277 4.449 -0.172 1
1 1291 . 8 1 1 A 98 98 LEU C C 98 175.738 175.052 0.686 1
1 1292 . 8 1 1 A 98 98 LEU CA C 98 54.337 54.231 0.106 1
1 1293 . 8 1 1 A 98 98 LEU CB C 98 41.634 40.201 1.433 1
1 1297 . 8 1 1 A 98 98 LEU N N 98 123.414 124.751 -1.337 1
1 1298 . 8 1 1 A 99 99 HIS H H 99 8.749 8.812 -0.063 1
1 1299 . 8 1 1 A 99 99 HIS HA H 99 4.706 4.764 -0.058 1
1 1304 . 8 1 1 A 99 99 HIS C C 99 173.912 173.838 0.074 1
1 1305 . 8 1 1 A 99 99 HIS CA C 99 55.183 53.808 1.375 1
1 1306 . 8 1 1 A 99 99 HIS CB C 99 29.916 28.514 1.402 1
1 1309 . 8 1 1 A 99 99 HIS N N 99 121.129 125.159 -4.030 1
1 1312 . 8 1 1 A 100 100 ALA H H 100 8.369 8.315 0.054 1
1 1313 . 8 1 1 A 100 100 ALA HA H 100 4.518 4.351 0.167 1
1 1317 . 8 1 1 A 100 100 ALA C C 100 177.533 177.708 -0.175 1
1 1318 . 8 1 1 A 100 100 ALA CA C 100 51.753 52.434 -0.681 1
1 1319 . 8 1 1 A 100 100 ALA CB C 100 20.081 18.849 1.232 1
1 1320 . 8 1 1 A 100 100 ALA N N 100 125.646 127.933 -2.287 1
1 1321 . 8 1 1 A 101 101 SER H H 101 8.357 8.628 -0.271 1
1 1322 . 8 1 1 A 101 101 SER HA H 101 4.452 4.663 -0.211 1
1 1325 . 8 1 1 A 101 101 SER C C 101 174.729 174.482 0.247 1
1 1326 . 8 1 1 A 101 101 SER CA C 101 58.781 58.514 0.267 1
1 1327 . 8 1 1 A 101 101 SER CB C 101 63.865 63.801 0.064 1
1 1328 . 8 1 1 A 101 101 SER N N 101 115.505 119.492 -3.987 1
1 1329 . 8 1 1 A 102 102 VAL H H 102 7.884 7.776 0.108 1
1 1330 . 8 1 1 A 102 102 VAL HA H 102 4.111 4.218 -0.107 1
1 1338 . 8 1 1 A 102 102 VAL C C 102 175.837 175.113 0.724 1
1 1339 . 8 1 1 A 102 102 VAL CA C 102 62.237 63.000 -0.763 1
1 1340 . 8 1 1 A 102 102 VAL CB C 102 32.336 32.378 -0.042 1
1 1343 . 8 1 1 A 102 102 VAL N N 102 120.880 118.274 2.606 1
1 1344 . 8 1 1 A 103 103 LEU H H 103 8.170 7.616 0.554 1
1 1345 . 8 1 1 A 103 103 LEU HA H 103 4.299 4.611 -0.312 1
1 1355 . 8 1 1 A 103 103 LEU C C 103 177.129 175.606 1.523 1
1 1356 . 8 1 1 A 103 103 LEU CA C 103 54.999 54.169 0.830 1
1 1357 . 8 1 1 A 103 103 LEU CB C 103 42.276 42.607 -0.331 1
1 1361 . 8 1 1 A 103 103 LEU N N 103 124.757 121.320 3.437 1
1 1362 . 8 1 1 A 104 104 GLU H H 104 8.244 8.739 -0.495 1
1 1363 . 8 1 1 A 104 104 GLU HA H 104 4.175 4.918 -0.743 1
1 1368 . 8 1 1 A 104 104 GLU C C 104 176.153 175.616 0.537 1
1 1369 . 8 1 1 A 104 104 GLU CA C 104 56.413 55.416 0.997 1
1 1370 . 8 1 1 A 104 104 GLU CB C 104 30.270 30.893 -0.623 1
1 1372 . 8 1 1 A 104 104 GLU N N 104 121.146 125.245 -4.099 1
1 1373 . 8 1 1 A 105 105 HIS H H 105 8.242 8.824 -0.582 1
1 1376 . 8 1 1 A 105 105 HIS C C 105 174.967 174.751 0.216 1
1 1377 . 8 1 1 A 105 105 HIS CA C 105 56.137 57.263 -1.126 1
1 1378 . 8 1 1 A 105 105 HIS CB C 105 30.290 32.290 -2.000 1
1 13 . 9 1 1 A 2 2 ILE HA H 2 4.615 4.996 -0.381 1
1 23 . 9 1 1 A 2 2 ILE C C 2 175.630 174.549 1.081 1
1 24 . 9 1 1 A 2 2 ILE CA C 2 60.619 59.227 1.392 1
1 25 . 9 1 1 A 2 2 ILE CB C 2 40.542 42.431 -1.889 1
1 29 . 9 1 1 A 3 3 THR H H 3 9.133 8.648 0.485 1
1 30 . 9 1 1 A 3 3 THR HA H 3 4.656 4.628 0.028 1
1 36 . 9 1 1 A 3 3 THR C C 3 174.729 175.687 -0.958 1
1 37 . 9 1 1 A 3 3 THR CA C 3 61.509 61.321 0.188 1
1 38 . 9 1 1 A 3 3 THR CB C 3 69.896 70.275 -0.379 1
1 40 . 9 1 1 A 3 3 THR N N 3 119.091 117.689 1.402 1
1 41 . 9 1 1 A 4 4 PHE H H 4 8.642 9.540 -0.898 1
1 42 . 9 1 1 A 4 4 PHE HA H 4 4.576 4.131 0.445 1
1 50 . 9 1 1 A 4 4 PHE C C 4 176.302 177.396 -1.094 1
1 51 . 9 1 1 A 4 4 PHE CA C 4 58.368 62.429 -4.061 1
1 52 . 9 1 1 A 4 4 PHE CB C 4 37.526 39.187 -1.661 1
1 56 . 9 1 1 A 4 4 PHE N N 4 122.510 122.996 -0.486 1
1 57 . 9 1 1 A 5 5 ALA H H 5 9.195 8.378 0.817 1
1 58 . 9 1 1 A 5 5 ALA HA H 5 3.692 4.048 -0.356 1
1 62 . 9 1 1 A 5 5 ALA C C 5 178.210 179.491 -1.281 1
1 63 . 9 1 1 A 5 5 ALA CA C 5 56.073 55.336 0.737 1
1 64 . 9 1 1 A 5 5 ALA CB C 5 17.897 18.461 -0.564 1
1 65 . 9 1 1 A 5 5 ALA N N 5 120.106 121.309 -1.203 1
1 66 . 9 1 1 A 6 6 ASP H H 6 7.978 7.904 0.074 1
1 67 . 9 1 1 A 6 6 ASP HA H 6 4.615 4.613 0.002 1
1 70 . 9 1 1 A 6 6 ASP C C 6 179.370 178.214 1.156 1
1 71 . 9 1 1 A 6 6 ASP CA C 6 57.369 57.368 0.001 1
1 72 . 9 1 1 A 6 6 ASP CB C 6 39.556 40.979 -1.423 1
1 73 . 9 1 1 A 6 6 ASP N N 6 115.486 118.595 -3.109 1
1 74 . 9 1 1 A 7 7 TYR H H 7 8.776 8.250 0.526 1
1 75 . 9 1 1 A 7 7 TYR HA H 7 3.984 4.367 -0.383 1
1 82 . 9 1 1 A 7 7 TYR C C 7 176.232 177.432 -1.200 1
1 83 . 9 1 1 A 7 7 TYR CA C 7 62.241 61.572 0.669 1
1 84 . 9 1 1 A 7 7 TYR CB C 7 38.521 38.419 0.102 1
1 87 . 9 1 1 A 7 7 TYR N N 7 120.885 120.666 0.219 1
1 88 . 9 1 1 A 8 8 PHE H H 8 9.024 8.431 0.593 1
1 89 . 9 1 1 A 8 8 PHE HA H 8 3.732 4.122 -0.390 1
1 97 . 9 1 1 A 8 8 PHE C C 8 176.261 176.942 -0.681 1
1 98 . 9 1 1 A 8 8 PHE CA C 8 62.936 62.008 0.928 1
1 99 . 9 1 1 A 8 8 PHE CB C 8 39.553 38.922 0.631 1
1 103 . 9 1 1 A 8 8 PHE N N 8 118.754 120.424 -1.670 1
1 104 . 9 1 1 A 9 9 TYR H H 9 8.202 8.193 0.009 1
1 105 . 9 1 1 A 9 9 TYR HA H 9 3.742 3.979 -0.237 1
1 112 . 9 1 1 A 9 9 TYR C C 9 176.496 177.176 -0.680 1
1 113 . 9 1 1 A 9 9 TYR CA C 9 62.939 61.241 1.698 1
1 114 . 9 1 1 A 9 9 TYR CB C 9 37.941 38.038 -0.097 1
1 117 . 9 1 1 A 9 9 TYR N N 9 117.271 120.297 -3.026 1
1 118 . 9 1 1 A 10 10 GLN H H 10 8.029 8.297 -0.268 1
1 119 . 9 1 1 A 10 10 GLN HA H 10 3.928 3.948 -0.020 1
1 126 . 9 1 1 A 10 10 GLN C C 10 177.393 177.745 -0.352 1
1 127 . 9 1 1 A 10 10 GLN CA C 10 58.717 58.536 0.181 1
1 128 . 9 1 1 A 10 10 GLN CB C 10 28.482 28.490 -0.008 1
1 130 . 9 1 1 A 10 10 GLN N N 10 117.935 117.462 0.473 1
1 132 . 9 1 1 A 11 11 TRP H H 11 8.772 8.199 0.573 1
1 133 . 9 1 1 A 11 11 TRP HA H 11 3.690 4.159 -0.469 1
1 142 . 9 1 1 A 11 11 TRP C C 11 178.487 177.590 0.897 1
1 143 . 9 1 1 A 11 11 TRP CA C 11 61.256 60.578 0.678 1
1 144 . 9 1 1 A 11 11 TRP CB C 11 27.472 29.220 -1.748 1
1 150 . 9 1 1 A 11 11 TRP N N 11 121.577 121.892 -0.315 1
1 152 . 9 1 1 A 12 12 TYR H H 12 8.168 8.181 -0.013 1
1 153 . 9 1 1 A 12 12 TYR HA H 12 2.938 3.261 -0.323 1
1 160 . 9 1 1 A 12 12 TYR C C 12 177.277 177.154 0.123 1
1 161 . 9 1 1 A 12 12 TYR CA C 12 59.178 60.848 -1.670 1
1 162 . 9 1 1 A 12 12 TYR CB C 12 36.729 38.155 -1.426 1
1 165 . 9 1 1 A 12 12 TYR N N 12 121.811 121.416 0.395 1
1 166 . 9 1 1 A 13 13 GLU H H 13 8.434 8.018 0.416 1
1 167 . 9 1 1 A 13 13 GLU HA H 13 2.996 3.256 -0.260 1
1 172 . 9 1 1 A 13 13 GLU C C 13 177.157 178.119 -0.962 1
1 173 . 9 1 1 A 13 13 GLU CA C 13 59.164 58.453 0.711 1
1 174 . 9 1 1 A 13 13 GLU CB C 13 29.447 29.080 0.367 1
1 176 . 9 1 1 A 13 13 GLU N N 13 123.599 119.327 4.272 1
1 177 . 9 1 1 A 14 14 VAL H H 14 7.605 6.930 0.675 1
1 178 . 9 1 1 A 14 14 VAL HA H 14 3.562 3.612 -0.050 1
1 186 . 9 1 1 A 14 14 VAL C C 14 177.289 176.835 0.454 1
1 187 . 9 1 1 A 14 14 VAL CA C 14 64.338 65.214 -0.876 1
1 188 . 9 1 1 A 14 14 VAL CB C 14 32.669 31.177 1.492 1
1 191 . 9 1 1 A 14 14 VAL N N 14 113.566 119.555 -5.989 1
1 192 . 9 1 1 A 15 15 ASN H H 15 7.482 6.954 0.528 1
1 193 . 9 1 1 A 15 15 ASN HA H 15 4.429 4.625 -0.196 1
1 198 . 9 1 1 A 15 15 ASN C C 15 175.201 176.473 -1.272 1
1 199 . 9 1 1 A 15 15 ASN CA C 15 55.218 53.827 1.391 1
1 200 . 9 1 1 A 15 15 ASN CB C 15 39.927 39.316 0.611 1
1 201 . 9 1 1 A 15 15 ASN N N 15 112.195 116.536 -4.341 1
1 203 . 9 1 1 A 16 16 LYS H H 16 7.413 7.765 -0.352 1
1 204 . 9 1 1 A 16 16 LYS HA H 16 4.338 4.254 0.084 1
1 213 . 9 1 1 A 16 16 LYS C C 16 175.309 176.948 -1.639 1
1 214 . 9 1 1 A 16 16 LYS CA C 16 54.807 56.017 -1.210 1
1 215 . 9 1 1 A 16 16 LYS CB C 16 32.665 33.593 -0.928 1
1 219 . 9 1 1 A 16 16 LYS N N 16 115.814 115.713 0.101 1
1 220 . 9 1 1 A 17 17 LEU H H 17 7.490 7.101 0.389 1
1 221 . 9 1 1 A 17 17 LEU HA H 17 3.603 3.423 0.180 1
1 231 . 9 1 1 A 17 17 LEU C C 17 173.754 175.738 -1.984 1
1 232 . 9 1 1 A 17 17 LEU CA C 17 59.847 59.472 0.375 1
1 233 . 9 1 1 A 17 17 LEU CB C 17 39.552 39.716 -0.164 1
1 237 . 9 1 1 A 17 17 LEU N N 17 121.586 121.678 -0.092 1
1 238 . 9 1 1 A 18 18 PRO HA H 18 4.107 4.211 -0.104 1
1 245 . 9 1 1 A 18 18 PRO C C 18 176.412 176.851 -0.439 1
1 246 . 9 1 1 A 18 18 PRO CA C 18 64.656 63.949 0.707 1
1 247 . 9 1 1 A 18 18 PRO CB C 18 30.980 32.039 -1.059 1
1 250 . 9 1 1 A 19 19 HIS H H 19 7.631 7.842 -0.211 1
1 251 . 9 1 1 A 19 19 HIS HA H 19 4.857 4.550 0.307 1
1 256 . 9 1 1 A 19 19 HIS C C 19 175.822 175.045 0.777 1
1 257 . 9 1 1 A 19 19 HIS CA C 19 55.004 56.376 -1.372 1
1 258 . 9 1 1 A 19 19 HIS CB C 19 32.358 31.762 0.596 1
1 260 . 9 1 1 A 19 19 HIS N N 19 111.190 116.000 -4.810 1
1 263 . 9 1 1 A 20 20 VAL H H 20 7.124 7.374 -0.250 1
1 264 . 9 1 1 A 20 20 VAL HA H 20 4.728 4.319 0.409 1
1 272 . 9 1 1 A 20 20 VAL C C 20 175.497 175.738 -0.241 1
1 273 . 9 1 1 A 20 20 VAL CA C 20 60.134 60.491 -0.357 1
1 274 . 9 1 1 A 20 20 VAL CB C 20 34.199 33.544 0.655 1
1 277 . 9 1 1 A 20 20 VAL N N 20 112.191 116.261 -4.070 1
1 278 . 9 1 1 A 21 21 SER H H 21 8.589 8.729 -0.140 1
1 279 . 9 1 1 A 21 21 SER HA H 21 4.531 4.786 -0.255 1
1 282 . 9 1 1 A 21 21 SER C C 21 174.840 175.978 -1.138 1
1 283 . 9 1 1 A 21 21 SER CA C 21 57.236 57.126 0.110 1
1 284 . 9 1 1 A 21 21 SER CB C 21 65.251 65.485 -0.234 1
1 285 . 9 1 1 A 21 21 SER N N 21 116.825 117.171 -0.346 1
1 286 . 9 1 1 A 22 22 GLU H H 22 8.964 9.171 -0.207 1
1 287 . 9 1 1 A 22 22 GLU HA H 22 3.922 4.096 -0.174 1
1 292 . 9 1 1 A 22 22 GLU C C 22 178.606 178.583 0.023 1
1 293 . 9 1 1 A 22 22 GLU CA C 22 59.837 60.031 -0.194 1
1 294 . 9 1 1 A 22 22 GLU CB C 22 29.239 29.183 0.056 1
1 296 . 9 1 1 A 22 22 GLU N N 22 120.863 121.275 -0.412 1
1 297 . 9 1 1 A 23 23 SER H H 23 8.426 8.349 0.077 1
1 298 . 9 1 1 A 23 23 SER HA H 23 4.151 4.183 -0.032 1
1 301 . 9 1 1 A 23 23 SER C C 23 176.977 177.359 -0.382 1
1 302 . 9 1 1 A 23 23 SER CA C 23 61.220 61.579 -0.359 1
1 303 . 9 1 1 A 23 23 SER CB C 23 62.252 62.083 0.169 1
1 304 . 9 1 1 A 23 23 SER N N 23 112.196 114.697 -2.501 1
1 305 . 9 1 1 A 24 24 THR H H 24 7.749 7.833 -0.084 1
1 306 . 9 1 1 A 24 24 THR HA H 24 4.163 4.553 -0.390 1
1 311 . 9 1 1 A 24 24 THR C C 24 176.523 177.216 -0.693 1
1 312 . 9 1 1 A 24 24 THR CA C 24 66.045 66.739 -0.694 1
1 313 . 9 1 1 A 24 24 THR CB C 24 68.305 68.555 -0.250 1
1 315 . 9 1 1 A 24 24 THR N N 24 120.348 117.138 3.210 1
1 316 . 9 1 1 A 25 25 LYS H H 25 8.605 8.492 0.113 1
1 317 . 9 1 1 A 25 25 LYS HA H 25 4.064 4.188 -0.124 1
1 326 . 9 1 1 A 25 25 LYS C C 25 178.447 179.000 -0.553 1
1 327 . 9 1 1 A 25 25 LYS CA C 25 61.087 60.210 0.877 1
1 328 . 9 1 1 A 25 25 LYS CB C 25 32.717 32.277 0.440 1
1 332 . 9 1 1 A 25 25 LYS N N 25 123.593 120.579 3.014 1
1 333 . 9 1 1 A 26 26 ARG H H 26 7.485 7.774 -0.289 1
1 334 . 9 1 1 A 26 26 ARG HA H 26 4.146 4.010 0.136 1
1 341 . 9 1 1 A 26 26 ARG C C 26 179.845 179.217 0.628 1
1 342 . 9 1 1 A 26 26 ARG CA C 26 58.916 59.233 -0.317 1
1 343 . 9 1 1 A 26 26 ARG CB C 26 30.384 29.782 0.602 1
1 346 . 9 1 1 A 26 26 ARG N N 26 114.116 120.254 -6.138 1
1 347 . 9 1 1 A 27 27 HIS H H 27 7.677 7.707 -0.030 1
1 348 . 9 1 1 A 27 27 HIS HA H 27 4.757 4.441 0.316 1
1 353 . 9 1 1 A 27 27 HIS C C 27 179.743 177.467 2.276 1
1 354 . 9 1 1 A 27 27 HIS CA C 27 58.659 59.115 -0.456 1
1 355 . 9 1 1 A 27 27 HIS CB C 27 30.967 30.270 0.697 1
1 358 . 9 1 1 A 27 27 HIS N N 27 119.389 118.608 0.781 1
1 361 . 9 1 1 A 28 28 TYR H H 28 8.119 7.912 0.207 1
1 362 . 9 1 1 A 28 28 TYR HA H 28 4.009 4.209 -0.200 1
1 369 . 9 1 1 A 28 28 TYR C C 28 178.685 178.664 0.021 1
1 370 . 9 1 1 A 28 28 TYR CA C 28 63.311 61.693 1.618 1
1 371 . 9 1 1 A 28 28 TYR CB C 28 38.879 37.273 1.606 1
1 374 . 9 1 1 A 28 28 TYR N N 28 121.786 117.424 4.362 1
1 375 . 9 1 1 A 29 29 GLU H H 29 8.631 8.638 -0.007 1
1 376 . 9 1 1 A 29 29 GLU HA H 29 4.067 4.343 -0.276 1
1 381 . 9 1 1 A 29 29 GLU C C 29 179.950 179.292 0.658 1
1 382 . 9 1 1 A 29 29 GLU CA C 29 59.827 59.960 -0.133 1
1 383 . 9 1 1 A 29 29 GLU CB C 29 29.172 29.448 -0.276 1
1 385 . 9 1 1 A 29 29 GLU N N 29 119.090 119.777 -0.687 1
1 386 . 9 1 1 A 30 30 SER H H 30 8.307 8.688 -0.381 1
1 387 . 9 1 1 A 30 30 SER HA H 30 4.467 4.322 0.145 1
1 390 . 9 1 1 A 30 30 SER C C 30 177.445 176.573 0.872 1
1 391 . 9 1 1 A 30 30 SER CA C 30 61.068 61.974 -0.906 1
1 392 . 9 1 1 A 30 30 SER CB C 30 63.054 63.023 0.031 1
1 393 . 9 1 1 A 30 30 SER N N 30 115.027 116.783 -1.756 1
1 394 . 9 1 1 A 31 31 ALA H H 31 8.319 7.879 0.440 1
1 395 . 9 1 1 A 31 31 ALA HA H 31 4.070 4.342 -0.272 1
1 399 . 9 1 1 A 31 31 ALA C C 31 178.488 179.270 -0.782 1
1 400 . 9 1 1 A 31 31 ALA CA C 31 55.926 55.139 0.787 1
1 401 . 9 1 1 A 31 31 ALA CB C 31 18.510 18.601 -0.091 1
1 402 . 9 1 1 A 31 31 ALA N N 31 124.966 123.848 1.118 1
1 403 . 9 1 1 A 32 32 TYR H H 32 8.537 8.798 -0.261 1
1 404 . 9 1 1 A 32 32 TYR HA H 32 4.114 4.206 -0.092 1
1 411 . 9 1 1 A 32 32 TYR C C 32 175.705 177.900 -2.195 1
1 412 . 9 1 1 A 32 32 TYR CA C 32 60.480 62.141 -1.661 1
1 413 . 9 1 1 A 32 32 TYR CB C 32 37.864 39.062 -1.198 1
1 416 . 9 1 1 A 32 32 TYR N N 32 116.814 120.343 -3.529 1
1 417 . 9 1 1 A 33 33 LYS H H 33 7.988 8.125 -0.137 1
1 418 . 9 1 1 A 33 33 LYS HA H 33 3.513 3.879 -0.366 1
1 427 . 9 1 1 A 33 33 LYS C C 33 178.474 179.570 -1.096 1
1 428 . 9 1 1 A 33 33 LYS CA C 33 59.810 59.522 0.288 1
1 429 . 9 1 1 A 33 33 LYS CB C 33 32.000 32.214 -0.214 1
1 433 . 9 1 1 A 33 33 LYS N N 33 119.358 118.169 1.189 1
1 434 . 9 1 1 A 34 34 HIS H H 34 8.187 7.854 0.333 1
1 435 . 9 1 1 A 34 34 HIS HA H 34 4.449 4.630 -0.181 1
1 440 . 9 1 1 A 34 34 HIS C C 34 178.948 178.223 0.725 1
1 441 . 9 1 1 A 34 34 HIS CA C 34 60.883 60.157 0.726 1
1 442 . 9 1 1 A 34 34 HIS CB C 34 28.843 30.325 -1.482 1
1 445 . 9 1 1 A 34 34 HIS N N 34 116.156 118.674 -2.518 1
1 448 . 9 1 1 A 35 35 ILE H H 35 8.676 8.199 0.477 1
1 449 . 9 1 1 A 35 35 ILE HA H 35 3.513 3.869 -0.356 1
1 459 . 9 1 1 A 35 35 ILE C C 35 177.630 178.563 -0.933 1
1 460 . 9 1 1 A 35 35 ILE CA C 35 65.690 65.144 0.546 1
1 461 . 9 1 1 A 35 35 ILE CB C 35 38.481 37.725 0.756 1
1 465 . 9 1 1 A 35 35 ILE N N 35 121.824 120.350 1.474 1
1 466 . 9 1 1 A 36 36 LYS H H 36 8.797 8.477 0.320 1
1 467 . 9 1 1 A 36 36 LYS HA H 36 3.712 3.977 -0.265 1
1 476 . 9 1 1 A 36 36 LYS C C 36 179.397 177.876 1.521 1
1 477 . 9 1 1 A 36 36 LYS CA C 36 59.860 58.911 0.949 1
1 478 . 9 1 1 A 36 36 LYS CB C 36 31.878 31.748 0.130 1
1 482 . 9 1 1 A 36 36 LYS N N 36 121.589 121.154 0.435 1
1 483 . 9 1 1 A 37 37 ASP H H 37 8.246 7.723 0.523 1
1 484 . 9 1 1 A 37 37 ASP HA H 37 4.336 4.338 -0.002 1
1 487 . 9 1 1 A 37 37 ASP C C 37 177.234 178.128 -0.894 1
1 488 . 9 1 1 A 37 37 ASP CA C 37 56.932 56.794 0.138 1
1 489 . 9 1 1 A 37 37 ASP CB C 37 40.576 40.794 -0.218 1
1 490 . 9 1 1 A 37 37 ASP N N 37 118.225 119.336 -1.111 1
1 491 . 9 1 1 A 38 38 HIS H H 38 7.867 7.884 -0.017 1
1 492 . 9 1 1 A 38 38 HIS HA H 38 4.284 4.336 -0.052 1
1 496 . 9 1 1 A 38 38 HIS C C 38 176.839 176.188 0.651 1
1 497 . 9 1 1 A 38 38 HIS CA C 38 59.389 59.234 0.155 1
1 498 . 9 1 1 A 38 38 HIS CB C 38 31.630 30.622 1.008 1
1 500 . 9 1 1 A 38 38 HIS N N 38 115.487 116.550 -1.063 1
1 501 . 9 1 1 A 39 39 PHE H H 39 9.082 8.588 0.494 1
1 502 . 9 1 1 A 39 39 PHE HA H 39 4.369 4.765 -0.396 1
1 510 . 9 1 1 A 39 39 PHE C C 39 175.890 175.471 0.419 1
1 511 . 9 1 1 A 39 39 PHE CA C 39 60.159 56.362 3.797 1
1 512 . 9 1 1 A 39 39 PHE CB C 39 38.850 37.191 1.659 1
1 516 . 9 1 1 A 39 39 PHE N N 39 114.327 115.476 -1.149 1
1 517 . 9 1 1 A 40 40 ARG H H 40 8.104 7.654 0.450 1
1 518 . 9 1 1 A 40 40 ARG HA H 40 3.921 4.293 -0.372 1
1 525 . 9 1 1 A 40 40 ARG C C 40 176.892 176.721 0.171 1
1 526 . 9 1 1 A 40 40 ARG CA C 40 58.009 56.910 1.099 1
1 527 . 9 1 1 A 40 40 ARG CB C 40 27.531 30.161 -2.630 1
1 530 . 9 1 1 A 40 40 ARG N N 40 118.379 121.000 -2.621 1
1 531 . 9 1 1 A 41 41 HIS H H 41 8.589 8.856 -0.267 1
1 532 . 9 1 1 A 41 41 HIS HA H 41 4.910 4.126 0.784 1
1 536 . 9 1 1 A 41 41 HIS C C 41 174.835 173.791 1.044 1
1 537 . 9 1 1 A 41 41 HIS CA C 41 55.473 57.306 -1.833 1
1 538 . 9 1 1 A 41 41 HIS CB C 41 29.720 27.037 2.683 1
1 540 . 9 1 1 A 41 41 HIS N N 41 123.828 118.784 5.044 1
1 541 . 9 1 1 A 42 42 LYS H H 42 8.326 7.820 0.506 1
1 542 . 9 1 1 A 42 42 LYS HA H 42 4.181 4.527 -0.346 1
1 551 . 9 1 1 A 42 42 LYS C C 42 177.973 176.374 1.599 1
1 552 . 9 1 1 A 42 42 LYS CA C 42 58.201 56.103 2.098 1
1 553 . 9 1 1 A 42 42 LYS CB C 42 33.047 33.748 -0.701 1
1 557 . 9 1 1 A 42 42 LYS N N 42 121.129 119.939 1.190 1
1 558 . 9 1 1 A 43 43 LEU H H 43 9.243 8.341 0.902 1
1 559 . 9 1 1 A 43 43 LEU HA H 43 4.346 4.618 -0.272 1
1 569 . 9 1 1 A 43 43 LEU C C 43 177.840 178.514 -0.674 1
1 570 . 9 1 1 A 43 43 LEU CA C 43 55.420 54.782 0.638 1
1 571 . 9 1 1 A 43 43 LEU CB C 43 40.936 42.326 -1.390 1
1 575 . 9 1 1 A 43 43 LEU N N 43 124.529 127.991 -3.462 1
1 576 . 9 1 1 A 44 44 LEU H H 44 8.404 8.468 -0.064 1
1 577 . 9 1 1 A 44 44 LEU HA H 44 3.681 4.105 -0.424 1
1 587 . 9 1 1 A 44 44 LEU C C 44 177.962 177.025 0.937 1
1 588 . 9 1 1 A 44 44 LEU CA C 44 58.773 57.280 1.493 1
1 589 . 9 1 1 A 44 44 LEU CB C 44 42.661 41.858 0.803 1
1 593 . 9 1 1 A 44 44 LEU N N 44 123.643 122.464 1.179 1
1 594 . 9 1 1 A 45 45 LYS HA H 45 4.126 4.199 -0.073 1
1 603 . 9 1 1 A 45 45 LYS C C 45 175.533 176.820 -1.287 1
1 604 . 9 1 1 A 45 45 LYS CA C 45 57.405 57.254 0.151 1
1 605 . 9 1 1 A 45 45 LYS CB C 45 31.650 32.420 -0.770 1
1 609 . 9 1 1 A 46 46 ASP H H 46 7.520 8.017 -0.497 1
1 610 . 9 1 1 A 46 46 ASP HA H 46 4.888 4.704 0.184 1
1 613 . 9 1 1 A 46 46 ASP C C 46 175.811 175.860 -0.049 1
1 614 . 9 1 1 A 46 46 ASP CA C 46 54.268 53.271 0.997 1
1 615 . 9 1 1 A 46 46 ASP CB C 46 42.178 41.764 0.414 1
1 616 . 9 1 1 A 46 46 ASP N N 46 118.587 117.693 0.894 1
1 617 . 9 1 1 A 47 47 ILE H H 47 6.965 7.094 -0.129 1
1 618 . 9 1 1 A 47 47 ILE HA H 47 4.048 3.963 0.085 1
1 628 . 9 1 1 A 47 47 ILE C C 47 175.362 175.202 0.160 1
1 629 . 9 1 1 A 47 47 ILE CA C 47 59.826 61.113 -1.287 1
1 630 . 9 1 1 A 47 47 ILE CB C 47 34.389 37.418 -3.029 1
1 634 . 9 1 1 A 47 47 ILE N N 47 119.126 122.015 -2.889 1
1 635 . 9 1 1 A 48 48 LYS H H 48 8.489 8.968 -0.479 1
1 636 . 9 1 1 A 48 48 LYS HA H 48 4.635 4.413 0.222 1
1 645 . 9 1 1 A 48 48 LYS C C 48 177.252 178.380 -1.128 1
1 646 . 9 1 1 A 48 48 LYS CA C 48 54.357 55.601 -1.244 1
1 647 . 9 1 1 A 48 48 LYS CB C 48 34.753 33.337 1.416 1
1 651 . 9 1 1 A 48 48 LYS N N 48 127.892 127.784 0.108 1
1 652 . 9 1 1 A 49 49 ARG H H 49 8.816 8.844 -0.028 1
1 653 . 9 1 1 A 49 49 ARG HA H 49 4.314 3.997 0.317 1
1 660 . 9 1 1 A 49 49 ARG C C 49 178.464 178.393 0.071 1
1 661 . 9 1 1 A 49 49 ARG CA C 49 60.341 59.338 1.003 1
1 662 . 9 1 1 A 49 49 ARG CB C 49 30.197 29.789 0.408 1
1 665 . 9 1 1 A 49 49 ARG N N 49 122.736 122.808 -0.072 1
1 666 . 9 1 1 A 50 50 THR H H 50 8.269 8.120 0.149 1
1 667 . 9 1 1 A 50 50 THR HA H 50 4.079 4.030 0.049 1
1 672 . 9 1 1 A 50 50 THR C C 50 177.316 177.121 0.195 1
1 673 . 9 1 1 A 50 50 THR CA C 50 65.501 65.717 -0.216 1
1 674 . 9 1 1 A 50 50 THR CB C 50 67.951 68.169 -0.218 1
1 676 . 9 1 1 A 50 50 THR N N 50 110.696 113.145 -2.449 1
1 677 . 9 1 1 A 51 51 GLU H H 51 7.260 8.229 -0.969 1
1 678 . 9 1 1 A 51 51 GLU HA H 51 4.239 4.040 0.199 1
1 683 . 9 1 1 A 51 51 GLU C C 51 179.621 178.620 1.001 1
1 684 . 9 1 1 A 51 51 GLU CA C 51 58.921 61.200 -2.279 1
1 685 . 9 1 1 A 51 51 GLU CB C 51 29.916 29.243 0.673 1
1 687 . 9 1 1 A 51 51 GLU N N 51 121.344 122.353 -1.009 1
1 688 . 9 1 1 A 52 52 TYR H H 52 8.678 8.402 0.276 1
1 689 . 9 1 1 A 52 52 TYR HA H 52 4.376 4.239 0.137 1
1 697 . 9 1 1 A 52 52 TYR C C 52 176.120 177.630 -1.510 1
1 698 . 9 1 1 A 52 52 TYR CA C 52 62.660 61.489 1.171 1
1 699 . 9 1 1 A 52 52 TYR CB C 52 38.206 38.589 -0.383 1
1 702 . 9 1 1 A 52 52 TYR N N 52 122.483 121.659 0.824 1
1 703 . 9 1 1 A 53 53 GLN H H 53 8.801 8.479 0.322 1
1 704 . 9 1 1 A 53 53 GLN HA H 53 3.721 3.786 -0.065 1
1 711 . 9 1 1 A 53 53 GLN C C 53 177.894 178.339 -0.445 1
1 712 . 9 1 1 A 53 53 GLN CA C 53 58.111 58.494 -0.383 1
1 713 . 9 1 1 A 53 53 GLN CB C 53 28.909 28.734 0.175 1
1 715 . 9 1 1 A 53 53 GLN N N 53 118.817 118.113 0.704 1
1 717 . 9 1 1 A 54 54 LYS H H 54 7.685 8.351 -0.666 1
1 718 . 9 1 1 A 54 54 LYS HA H 54 4.051 4.068 -0.017 1
1 727 . 9 1 1 A 54 54 LYS C C 54 178.918 178.673 0.245 1
1 728 . 9 1 1 A 54 54 LYS CA C 54 59.845 58.948 0.897 1
1 729 . 9 1 1 A 54 54 LYS CB C 54 32.339 31.856 0.483 1
1 733 . 9 1 1 A 54 54 LYS N N 54 118.629 118.142 0.487 1
1 734 . 9 1 1 A 55 55 PHE H H 55 7.533 7.929 -0.396 1
1 735 . 9 1 1 A 55 55 PHE HA H 55 3.660 3.937 -0.277 1
1 743 . 9 1 1 A 55 55 PHE C C 55 176.180 176.984 -0.804 1
1 744 . 9 1 1 A 55 55 PHE CA C 55 59.494 61.183 -1.689 1
1 745 . 9 1 1 A 55 55 PHE CB C 55 38.189 39.391 -1.202 1
1 749 . 9 1 1 A 55 55 PHE N N 55 120.449 120.765 -0.316 1
1 750 . 9 1 1 A 56 56 LEU H H 56 8.019 8.268 -0.249 1
1 751 . 9 1 1 A 56 56 LEU HA H 56 3.254 3.694 -0.440 1
1 761 . 9 1 1 A 56 56 LEU C C 56 179.581 179.214 0.367 1
1 762 . 9 1 1 A 56 56 LEU CA C 56 57.366 57.592 -0.226 1
1 763 . 9 1 1 A 56 56 LEU CB C 56 41.462 40.998 0.464 1
1 767 . 9 1 1 A 56 56 LEU N N 56 120.223 119.780 0.443 1
1 768 . 9 1 1 A 57 57 ASN H H 57 8.427 8.672 -0.245 1
1 769 . 9 1 1 A 57 57 ASN HA H 57 4.324 4.477 -0.153 1
1 774 . 9 1 1 A 57 57 ASN C C 57 178.105 177.767 0.338 1
1 775 . 9 1 1 A 57 57 ASN CA C 57 55.194 56.683 -1.489 1
1 776 . 9 1 1 A 57 57 ASN CB C 57 36.948 37.802 -0.854 1
1 777 . 9 1 1 A 57 57 ASN N N 57 118.422 118.672 -0.250 1
1 779 . 9 1 1 A 58 58 GLU H H 58 7.873 7.644 0.229 1
1 780 . 9 1 1 A 58 58 GLU HA H 58 4.063 4.070 -0.007 1
1 785 . 9 1 1 A 58 58 GLU C C 58 179.660 178.749 0.911 1
1 786 . 9 1 1 A 58 58 GLU CA C 58 59.064 59.206 -0.142 1
1 787 . 9 1 1 A 58 58 GLU CB C 58 29.592 29.139 0.453 1
1 789 . 9 1 1 A 58 58 GLU N N 58 121.129 119.630 1.499 1
1 790 . 9 1 1 A 59 59 TYR H H 59 8.638 7.811 0.827 1
1 791 . 9 1 1 A 59 59 TYR HA H 59 3.949 4.138 -0.189 1
1 798 . 9 1 1 A 59 59 TYR C C 59 179.907 178.124 1.783 1
1 799 . 9 1 1 A 59 59 TYR CA C 59 61.870 61.128 0.742 1
1 800 . 9 1 1 A 59 59 TYR CB C 59 38.156 38.210 -0.054 1
1 803 . 9 1 1 A 59 59 TYR N N 59 124.461 120.644 3.817 1
1 804 . 9 1 1 A 60 60 GLY H H 60 8.925 8.579 0.346 1
1 805 . 9 1 1 A 60 60 GLY HA2 H 60 3.947 3.985 -0.038 1
1 806 . 9 1 1 A 60 60 GLY HA3 H 60 4.175 3.991 0.184 1
1 807 . 9 1 1 A 60 60 GLY C C 60 173.294 174.838 -1.544 1
1 808 . 9 1 1 A 60 60 GLY CA C 60 46.424 46.073 0.351 1
1 809 . 9 1 1 A 60 60 GLY N N 60 107.578 106.219 1.359 1
1 810 . 9 1 1 A 61 61 LEU H H 61 7.448 7.719 -0.271 1
1 811 . 9 1 1 A 61 61 LEU HA H 61 4.238 4.295 -0.057 1
1 821 . 9 1 1 A 61 61 LEU C C 61 179.159 178.249 0.910 1
1 822 . 9 1 1 A 61 61 LEU CA C 61 57.274 56.230 1.044 1
1 823 . 9 1 1 A 61 61 LEU CB C 61 42.304 42.160 0.144 1
1 827 . 9 1 1 A 61 61 LEU N N 61 118.202 120.677 -2.475 1
1 828 . 9 1 1 A 62 62 THR H H 62 6.974 7.054 -0.080 1
1 829 . 9 1 1 A 62 62 THR HA H 62 4.385 4.369 0.016 1
1 834 . 9 1 1 A 62 62 THR C C 62 173.170 174.127 -0.957 1
1 835 . 9 1 1 A 62 62 THR CA C 62 59.813 62.348 -2.535 1
1 836 . 9 1 1 A 62 62 THR CB C 62 69.697 69.725 -0.028 1
1 838 . 9 1 1 A 62 62 THR N N 62 101.223 104.457 -3.234 1
1 839 . 9 1 1 A 63 63 HIS H H 63 7.041 7.956 -0.915 1
1 840 . 9 1 1 A 63 63 HIS HA H 63 4.861 5.034 -0.173 1
1 845 . 9 1 1 A 63 63 HIS C C 63 172.567 175.218 -2.651 1
1 846 . 9 1 1 A 63 63 HIS CA C 63 55.522 54.353 1.169 1
1 847 . 9 1 1 A 63 63 HIS CB C 63 32.328 32.666 -0.338 1
1 850 . 9 1 1 A 63 63 HIS N N 63 116.818 119.753 -2.935 1
1 853 . 9 1 1 A 64 64 SER H H 64 8.717 8.880 -0.163 1
1 854 . 9 1 1 A 64 64 SER HA H 64 4.582 4.657 -0.075 1
1 857 . 9 1 1 A 64 64 SER C C 64 174.545 175.001 -0.456 1
1 858 . 9 1 1 A 64 64 SER CA C 64 57.169 57.357 -0.188 1
1 859 . 9 1 1 A 64 64 SER CB C 64 65.484 65.227 0.257 1
1 860 . 9 1 1 A 64 64 SER N N 64 116.128 114.949 1.179 1
1 861 . 9 1 1 A 65 65 TYR H H 65 9.054 9.168 -0.114 1
1 862 . 9 1 1 A 65 65 TYR HA H 65 4.059 4.128 -0.069 1
1 869 . 9 1 1 A 65 65 TYR C C 65 176.918 177.646 -0.728 1
1 870 . 9 1 1 A 65 65 TYR CA C 65 61.906 62.477 -0.571 1
1 871 . 9 1 1 A 65 65 TYR CB C 65 38.185 38.921 -0.736 1
1 874 . 9 1 1 A 65 65 TYR N N 65 121.679 122.628 -0.949 1
1 875 . 9 1 1 A 66 66 GLU H H 66 8.965 8.303 0.662 1
1 876 . 9 1 1 A 66 66 GLU HA H 66 3.888 3.822 0.066 1
1 881 . 9 1 1 A 66 66 GLU C C 66 178.764 179.220 -0.456 1
1 882 . 9 1 1 A 66 66 GLU CA C 66 59.329 59.401 -0.072 1
1 883 . 9 1 1 A 66 66 GLU CB C 66 28.874 29.416 -0.542 1
1 885 . 9 1 1 A 66 66 GLU N N 66 117.723 119.795 -2.072 1
1 886 . 9 1 1 A 67 67 THR H H 67 7.626 8.147 -0.521 1
1 887 . 9 1 1 A 67 67 THR HA H 67 3.864 4.000 -0.136 1
1 892 . 9 1 1 A 67 67 THR C C 67 176.681 176.320 0.361 1
1 893 . 9 1 1 A 67 67 THR CA C 67 66.368 67.170 -0.802 1
1 894 . 9 1 1 A 67 67 THR CB C 67 68.290 68.357 -0.067 1
1 896 . 9 1 1 A 67 67 THR N N 67 116.084 116.852 -0.768 1
1 897 . 9 1 1 A 68 68 ILE H H 68 8.324 8.072 0.252 1
1 898 . 9 1 1 A 68 68 ILE HA H 68 3.686 3.849 -0.163 1
1 908 . 9 1 1 A 68 68 ILE C C 68 176.527 177.407 -0.880 1
1 909 . 9 1 1 A 68 68 ILE CA C 68 65.205 62.782 2.423 1
1 910 . 9 1 1 A 68 68 ILE CB C 68 38.355 37.700 0.655 1
1 914 . 9 1 1 A 68 68 ILE N N 68 123.174 120.544 2.630 1
1 915 . 9 1 1 A 69 69 ARG H H 69 8.407 8.115 0.292 1
1 916 . 9 1 1 A 69 69 ARG HA H 69 3.673 3.650 0.023 1
1 923 . 9 1 1 A 69 69 ARG C C 69 179.687 178.609 1.078 1
1 924 . 9 1 1 A 69 69 ARG CA C 69 59.577 59.563 0.014 1
1 925 . 9 1 1 A 69 69 ARG CB C 69 29.560 29.204 0.356 1
1 928 . 9 1 1 A 69 69 ARG N N 69 121.358 121.621 -0.263 1
1 929 . 9 1 1 A 70 70 LYS H H 70 7.562 7.736 -0.174 1
1 930 . 9 1 1 A 70 70 LYS HA H 70 3.617 3.676 -0.059 1
1 939 . 9 1 1 A 70 70 LYS C C 70 177.129 178.324 -1.195 1
1 940 . 9 1 1 A 70 70 LYS CA C 70 59.380 58.936 0.444 1
1 941 . 9 1 1 A 70 70 LYS CB C 70 31.978 31.896 0.082 1
1 945 . 9 1 1 A 70 70 LYS N N 70 120.218 117.953 2.265 1
1 946 . 9 1 1 A 71 71 LEU H H 71 7.640 8.017 -0.377 1
1 947 . 9 1 1 A 71 71 LEU HA H 71 3.629 3.643 -0.014 1
1 957 . 9 1 1 A 71 71 LEU C C 71 178.157 178.251 -0.094 1
1 958 . 9 1 1 A 71 71 LEU CA C 71 58.477 57.940 0.537 1
1 959 . 9 1 1 A 71 71 LEU CB C 71 41.262 41.270 -0.008 1
1 963 . 9 1 1 A 71 71 LEU N N 71 119.991 121.226 -1.235 1
1 964 . 9 1 1 A 72 72 ASN H H 72 8.474 8.234 0.240 1
1 965 . 9 1 1 A 72 72 ASN HA H 72 4.485 4.826 -0.341 1
1 970 . 9 1 1 A 72 72 ASN C C 72 176.285 177.513 -1.228 1
1 971 . 9 1 1 A 72 72 ASN CA C 72 56.424 56.916 -0.492 1
1 972 . 9 1 1 A 72 72 ASN CB C 72 39.544 39.650 -0.106 1
1 973 . 9 1 1 A 72 72 ASN N N 72 114.097 117.469 -3.372 1
1 975 . 9 1 1 A 73 73 SER H H 73 7.878 7.583 0.295 1
1 976 . 9 1 1 A 73 73 SER HA H 73 4.177 4.214 -0.037 1
1 979 . 9 1 1 A 73 73 SER C C 73 176.734 176.854 -0.120 1
1 980 . 9 1 1 A 73 73 SER CA C 73 61.741 61.194 0.547 1
1 981 . 9 1 1 A 73 73 SER CB C 73 62.573 62.726 -0.153 1
1 982 . 9 1 1 A 73 73 SER N N 73 115.022 113.820 1.202 1
1 983 . 9 1 1 A 74 74 TYR H H 74 8.078 7.857 0.221 1
1 984 . 9 1 1 A 74 74 TYR HA H 74 5.168 4.627 0.541 1
1 991 . 9 1 1 A 74 74 TYR C C 74 178.436 178.480 -0.044 1
1 992 . 9 1 1 A 74 74 TYR CA C 74 58.023 61.377 -3.354 1
1 993 . 9 1 1 A 74 74 TYR CB C 74 37.835 38.736 -0.901 1
1 996 . 9 1 1 A 74 74 TYR N N 74 122.937 118.590 4.347 1
1 997 . 9 1 1 A 75 75 ILE H H 75 8.264 8.555 -0.291 1
1 998 . 9 1 1 A 75 75 ILE HA H 75 3.647 3.896 -0.249 1
1 1008 . 9 1 1 A 75 75 ILE C C 75 177.656 178.209 -0.553 1
1 1009 . 9 1 1 A 75 75 ILE CA C 75 66.349 65.478 0.871 1
1 1010 . 9 1 1 A 75 75 ILE CB C 75 37.494 38.001 -0.507 1
1 1014 . 9 1 1 A 75 75 ILE N N 75 119.080 120.199 -1.119 1
1 1015 . 9 1 1 A 76 76 ARG H H 76 9.316 8.355 0.961 1
1 1016 . 9 1 1 A 76 76 ARG HA H 76 3.896 3.955 -0.059 1
1 1024 . 9 1 1 A 76 76 ARG C C 76 179.033 178.200 0.833 1
1 1025 . 9 1 1 A 76 76 ARG CA C 76 60.536 59.831 0.705 1
1 1026 . 9 1 1 A 76 76 ARG CB C 76 30.238 29.646 0.592 1
1 1029 . 9 1 1 A 76 76 ARG N N 76 121.985 120.868 1.117 1
1 1031 . 9 1 1 A 77 77 ASN H H 77 8.003 8.312 -0.309 1
1 1032 . 9 1 1 A 77 77 ASN HA H 77 4.605 4.508 0.097 1
1 1037 . 9 1 1 A 77 77 ASN C C 77 177.146 177.017 0.129 1
1 1038 . 9 1 1 A 77 77 ASN CA C 77 55.755 56.711 -0.956 1
1 1039 . 9 1 1 A 77 77 ASN CB C 77 38.857 39.167 -0.310 1
1 1040 . 9 1 1 A 77 77 ASN N N 77 117.750 117.786 -0.036 1
1 1042 . 9 1 1 A 78 78 ALA H H 78 8.082 7.418 0.664 1
1 1043 . 9 1 1 A 78 78 ALA HA H 78 2.351 2.994 -0.643 1
1 1047 . 9 1 1 A 78 78 ALA C C 78 181.084 179.594 1.490 1
1 1048 . 9 1 1 A 78 78 ALA CA C 78 54.703 54.410 0.293 1
1 1049 . 9 1 1 A 78 78 ALA CB C 78 16.121 17.658 -1.537 1
1 1050 . 9 1 1 A 78 78 ALA N N 78 124.770 121.785 2.985 1
1 1051 . 9 1 1 A 79 79 PHE H H 79 8.603 7.901 0.702 1
1 1052 . 9 1 1 A 79 79 PHE HA H 79 3.974 4.245 -0.271 1
1 1060 . 9 1 1 A 79 79 PHE C C 79 177.841 177.708 0.133 1
1 1061 . 9 1 1 A 79 79 PHE CA C 79 63.302 61.359 1.943 1
1 1062 . 9 1 1 A 79 79 PHE CB C 79 40.594 38.361 2.233 1
1 1066 . 9 1 1 A 79 79 PHE N N 79 116.847 115.747 1.100 1
1 1067 . 9 1 1 A 80 80 ASP H H 80 8.298 8.593 -0.295 1
1 1068 . 9 1 1 A 80 80 ASP HA H 80 4.620 4.438 0.182 1
1 1071 . 9 1 1 A 80 80 ASP C C 80 179.845 178.453 1.392 1
1 1072 . 9 1 1 A 80 80 ASP CA C 80 57.957 57.821 0.136 1
1 1073 . 9 1 1 A 80 80 ASP CB C 80 39.595 42.448 -2.853 1
1 1074 . 9 1 1 A 80 80 ASP N N 80 121.362 119.813 1.549 1
1 1075 . 9 1 1 A 81 81 ASP H H 81 8.051 7.885 0.166 1
1 1076 . 9 1 1 A 81 81 ASP HA H 81 4.724 4.444 0.280 1
1 1079 . 9 1 1 A 81 81 ASP C C 81 177.963 178.064 -0.101 1
1 1080 . 9 1 1 A 81 81 ASP CA C 81 57.537 57.170 0.367 1
1 1081 . 9 1 1 A 81 81 ASP CB C 81 39.463 40.982 -1.519 1
1 1082 . 9 1 1 A 81 81 ASP N N 81 122.166 119.452 2.714 1
1 1083 . 9 1 1 A 82 82 ALA H H 82 8.025 8.154 -0.129 1
1 1084 . 9 1 1 A 82 82 ALA HA H 82 4.106 4.258 -0.152 1
1 1088 . 9 1 1 A 82 82 ALA C C 82 180.223 179.642 0.581 1
1 1089 . 9 1 1 A 82 82 ALA CA C 82 55.194 55.368 -0.174 1
1 1090 . 9 1 1 A 82 82 ALA CB C 82 17.947 18.157 -0.210 1
1 1091 . 9 1 1 A 82 82 ALA N N 82 124.747 121.435 3.312 1
1 1092 . 9 1 1 A 83 83 ILE H H 83 8.327 8.326 0.001 1
1 1093 . 9 1 1 A 83 83 ILE HA H 83 4.235 4.169 0.066 1
1 1103 . 9 1 1 A 83 83 ILE C C 83 180.768 177.760 3.008 1
1 1104 . 9 1 1 A 83 83 ILE CA C 83 63.966 63.602 0.364 1
1 1105 . 9 1 1 A 83 83 ILE CB C 83 38.254 37.979 0.275 1
1 1109 . 9 1 1 A 83 83 ILE N N 83 120.907 118.891 2.016 1
1 1110 . 9 1 1 A 84 84 HIS H H 84 7.934 8.252 -0.318 1
1 1111 . 9 1 1 A 84 84 HIS HA H 84 4.434 4.104 0.330 1
1 1116 . 9 1 1 A 84 84 HIS C C 84 178.250 177.275 0.975 1
1 1117 . 9 1 1 A 84 84 HIS CA C 84 59.042 60.049 -1.007 1
1 1118 . 9 1 1 A 84 84 HIS CB C 84 28.750 29.658 -0.908 1
1 1121 . 9 1 1 A 84 84 HIS N N 84 121.346 121.239 0.107 1
1 1124 . 9 1 1 A 85 85 GLU H H 85 8.074 8.113 -0.039 1
1 1125 . 9 1 1 A 85 85 GLU HA H 85 4.192 4.182 0.010 1
1 1130 . 9 1 1 A 85 85 GLU C C 85 176.510 176.543 -0.033 1
1 1131 . 9 1 1 A 85 85 GLU CA C 85 56.512 58.013 -1.501 1
1 1132 . 9 1 1 A 85 85 GLU CB C 85 30.284 30.918 -0.634 1
1 1134 . 9 1 1 A 85 85 GLU N N 85 115.467 118.496 -3.029 1
1 1135 . 9 1 1 A 86 86 GLY H H 86 7.715 8.016 -0.301 1
1 1136 . 9 1 1 A 86 86 GLY HA2 H 86 3.844 4.059 -0.215 1
1 1137 . 9 1 1 A 86 86 GLY HA3 H 86 4.136 4.059 0.077 1
1 1138 . 9 1 1 A 86 86 GLY C C 86 175.243 174.686 0.557 1
1 1139 . 9 1 1 A 86 86 GLY CA C 86 45.108 45.198 -0.090 1
1 1140 . 9 1 1 A 86 86 GLY N N 86 105.999 108.013 -2.014 1
1 1141 . 9 1 1 A 87 87 TYR H H 87 8.173 8.095 0.078 1
1 1142 . 9 1 1 A 87 87 TYR HA H 87 4.396 4.225 0.171 1
1 1149 . 9 1 1 A 87 87 TYR CA C 87 59.317 61.010 -1.693 1
1 1150 . 9 1 1 A 87 87 TYR CB C 87 39.558 39.391 0.167 1
1 1153 . 9 1 1 A 87 87 TYR N N 87 118.412 121.608 -3.196 1
1 1154 . 9 1 1 A 88 88 VAL HA H 88 4.583 4.450 0.133 1
1 1162 . 9 1 1 A 88 88 VAL CB C 88 36.112 35.036 1.076 1
1 1165 . 9 1 1 A 89 89 ILE HA H 89 4.426 3.980 0.446 1
1 1175 . 9 1 1 A 89 89 ILE CA C 89 61.984 63.349 -1.365 1
1 1176 . 9 1 1 A 89 89 ILE CB C 89 39.850 38.748 1.102 1
1 1180 . 9 1 1 A 90 90 LYS H H 90 7.387 7.536 -0.149 1
1 1181 . 9 1 1 A 90 90 LYS HA H 90 4.508 4.866 -0.358 1
1 1190 . 9 1 1 A 90 90 LYS C C 90 174.665 174.905 -0.240 1
1 1191 . 9 1 1 A 90 90 LYS CA C 90 54.111 54.480 -0.369 1
1 1192 . 9 1 1 A 90 90 LYS CB C 90 35.086 35.258 -0.172 1
1 1196 . 9 1 1 A 91 91 ASN H H 91 8.803 8.556 0.247 1
1 1197 . 9 1 1 A 91 91 ASN HA H 91 4.279 4.790 -0.511 1
1 1202 . 9 1 1 A 91 91 ASN CB C 91 38.879 38.919 -0.040 1
1 1203 . 9 1 1 A 91 91 ASN N N 91 120.903 119.365 1.538 1
1 1205 . 9 1 1 A 92 92 PRO HA H 92 4.206 4.092 0.114 1
1 1212 . 9 1 1 A 92 92 PRO C C 92 174.751 177.162 -2.411 1
1 1213 . 9 1 1 A 92 92 PRO CA C 92 63.927 64.084 -0.157 1
1 1214 . 9 1 1 A 92 92 PRO CB C 92 30.969 31.275 -0.306 1
1 1217 . 9 1 1 A 93 93 THR H H 93 7.441 7.749 -0.308 1
1 1218 . 9 1 1 A 93 93 THR HA H 93 4.093 4.348 -0.255 1
1 1224 . 9 1 1 A 93 93 THR C C 93 175.922 174.094 1.828 1
1 1225 . 9 1 1 A 93 93 THR CA C 93 62.221 61.257 0.964 1
1 1226 . 9 1 1 A 93 93 THR CB C 93 69.463 68.150 1.313 1
1 1228 . 9 1 1 A 93 93 THR N N 93 105.991 109.441 -3.450 1
1 1229 . 9 1 1 A 94 94 TYR H H 94 7.139 9.035 -1.896 1
1 1230 . 9 1 1 A 94 94 TYR HA H 94 4.393 4.576 -0.183 1
1 1237 . 9 1 1 A 94 94 TYR C C 94 176.180 176.743 -0.563 1
1 1238 . 9 1 1 A 94 94 TYR CA C 94 58.272 59.899 -1.627 1
1 1239 . 9 1 1 A 94 94 TYR CB C 94 37.490 40.214 -2.724 1
1 1242 . 9 1 1 A 94 94 TYR N N 94 124.098 123.661 0.437 1
1 1243 . 9 1 1 A 95 95 LYS H H 95 8.904 7.935 0.969 1
1 1244 . 9 1 1 A 95 95 LYS HA H 95 3.758 4.465 -0.707 1
1 1253 . 9 1 1 A 95 95 LYS C C 95 175.547 176.354 -0.807 1
1 1254 . 9 1 1 A 95 95 LYS CA C 95 57.078 55.713 1.365 1
1 1255 . 9 1 1 A 95 95 LYS CB C 95 29.962 33.090 -3.128 1
1 1259 . 9 1 1 A 95 95 LYS N N 95 121.317 113.530 7.787 1
1 1260 . 9 1 1 A 96 96 ALA H H 96 7.583 7.469 0.114 1
1 1261 . 9 1 1 A 96 96 ALA HA H 96 4.157 4.281 -0.124 1
1 1265 . 9 1 1 A 96 96 ALA C C 96 177.630 176.823 0.807 1
1 1266 . 9 1 1 A 96 96 ALA CA C 96 53.298 52.970 0.328 1
1 1267 . 9 1 1 A 96 96 ALA CB C 96 18.807 19.518 -0.711 1
1 1268 . 9 1 1 A 96 96 ALA N N 96 121.832 122.928 -1.096 1
1 1269 . 9 1 1 A 97 97 GLU H H 97 9.243 9.030 0.213 1
1 1270 . 9 1 1 A 97 97 GLU HA H 97 4.347 5.003 -0.656 1
1 1275 . 9 1 1 A 97 97 GLU C C 97 175.890 175.425 0.465 1
1 1276 . 9 1 1 A 97 97 GLU CA C 97 55.198 55.003 0.195 1
1 1277 . 9 1 1 A 97 97 GLU CB C 97 30.931 33.025 -2.094 1
1 1279 . 9 1 1 A 97 97 GLU N N 97 121.989 123.127 -1.138 1
1 1280 . 9 1 1 A 98 98 LEU H H 98 8.401 8.699 -0.298 1
1 1281 . 9 1 1 A 98 98 LEU HA H 98 4.277 4.610 -0.333 1
1 1291 . 9 1 1 A 98 98 LEU C C 98 175.738 175.301 0.437 1
1 1292 . 9 1 1 A 98 98 LEU CA C 98 54.337 54.536 -0.199 1
1 1293 . 9 1 1 A 98 98 LEU CB C 98 41.634 40.937 0.697 1
1 1297 . 9 1 1 A 98 98 LEU N N 98 123.414 126.516 -3.102 1
1 1298 . 9 1 1 A 99 99 HIS H H 99 8.749 8.941 -0.192 1
1 1299 . 9 1 1 A 99 99 HIS HA H 99 4.706 5.249 -0.543 1
1 1304 . 9 1 1 A 99 99 HIS C C 99 173.912 173.176 0.736 1
1 1305 . 9 1 1 A 99 99 HIS CA C 99 55.183 53.540 1.643 1
1 1306 . 9 1 1 A 99 99 HIS CB C 99 29.916 31.088 -1.172 1
1 1309 . 9 1 1 A 99 99 HIS N N 99 121.129 125.481 -4.352 1
1 1312 . 9 1 1 A 100 100 ALA H H 100 8.369 8.813 -0.444 1
1 1313 . 9 1 1 A 100 100 ALA HA H 100 4.518 4.890 -0.372 1
1 1317 . 9 1 1 A 100 100 ALA C C 100 177.533 177.742 -0.209 1
1 1318 . 9 1 1 A 100 100 ALA CA C 100 51.753 50.530 1.223 1
1 1319 . 9 1 1 A 100 100 ALA CB C 100 20.081 20.337 -0.256 1
1 1320 . 9 1 1 A 100 100 ALA N N 100 125.646 130.293 -4.647 1
1 1321 . 9 1 1 A 101 101 SER H H 101 8.357 9.212 -0.855 1
1 1322 . 9 1 1 A 101 101 SER HA H 101 4.452 4.541 -0.089 1
1 1325 . 9 1 1 A 101 101 SER C C 101 174.729 174.174 0.555 1
1 1326 . 9 1 1 A 101 101 SER CA C 101 58.781 57.350 1.431 1
1 1327 . 9 1 1 A 101 101 SER CB C 101 63.865 63.596 0.269 1
1 1328 . 9 1 1 A 101 101 SER N N 101 115.505 119.064 -3.559 1
1 1329 . 9 1 1 A 102 102 VAL H H 102 7.884 7.480 0.404 1
1 1330 . 9 1 1 A 102 102 VAL HA H 102 4.111 4.164 -0.053 1
1 1338 . 9 1 1 A 102 102 VAL C C 102 175.837 175.092 0.745 1
1 1339 . 9 1 1 A 102 102 VAL CA C 102 62.237 62.502 -0.265 1
1 1340 . 9 1 1 A 102 102 VAL CB C 102 32.336 30.027 2.309 1
1 1343 . 9 1 1 A 102 102 VAL N N 102 120.880 122.513 -1.633 1
1 1344 . 9 1 1 A 103 103 LEU H H 103 8.170 8.018 0.152 1
1 1345 . 9 1 1 A 103 103 LEU HA H 103 4.299 4.619 -0.320 1
1 1355 . 9 1 1 A 103 103 LEU C C 103 177.129 176.425 0.704 1
1 1356 . 9 1 1 A 103 103 LEU CA C 103 54.999 54.002 0.997 1
1 1357 . 9 1 1 A 103 103 LEU CB C 103 42.276 41.556 0.720 1
1 1361 . 9 1 1 A 103 103 LEU N N 103 124.757 128.343 -3.586 1
1 1362 . 9 1 1 A 104 104 GLU H H 104 8.244 8.740 -0.496 1
1 1363 . 9 1 1 A 104 104 GLU HA H 104 4.175 4.169 0.006 1
1 1368 . 9 1 1 A 104 104 GLU C C 104 176.153 177.392 -1.239 1
1 1369 . 9 1 1 A 104 104 GLU CA C 104 56.413 59.923 -3.510 1
1 1370 . 9 1 1 A 104 104 GLU CB C 104 30.270 29.796 0.474 1
1 1372 . 9 1 1 A 104 104 GLU N N 104 121.146 125.285 -4.139 1
1 1373 . 9 1 1 A 105 105 HIS H H 105 8.242 7.842 0.400 1
1 1376 . 9 1 1 A 105 105 HIS C C 105 174.967 173.656 1.311 1
1 1377 . 9 1 1 A 105 105 HIS CA C 105 56.137 54.735 1.402 1
1 1378 . 9 1 1 A 105 105 HIS CB C 105 30.290 29.914 0.376 1
1 13 . 10 1 1 A 2 2 ILE HA H 2 4.615 5.015 -0.400 1
1 23 . 10 1 1 A 2 2 ILE C C 2 175.630 174.780 0.850 1
1 24 . 10 1 1 A 2 2 ILE CA C 2 60.619 59.260 1.359 1
1 25 . 10 1 1 A 2 2 ILE CB C 2 40.542 42.386 -1.844 1
1 29 . 10 1 1 A 3 3 THR H H 3 9.133 8.712 0.421 1
1 30 . 10 1 1 A 3 3 THR HA H 3 4.656 4.597 0.059 1
1 36 . 10 1 1 A 3 3 THR C C 3 174.729 175.818 -1.089 1
1 37 . 10 1 1 A 3 3 THR CA C 3 61.509 61.401 0.108 1
1 38 . 10 1 1 A 3 3 THR CB C 3 69.896 70.344 -0.448 1
1 40 . 10 1 1 A 3 3 THR N N 3 119.091 117.919 1.172 1
1 41 . 10 1 1 A 4 4 PHE H H 4 8.642 9.313 -0.671 1
1 42 . 10 1 1 A 4 4 PHE HA H 4 4.576 4.088 0.488 1
1 50 . 10 1 1 A 4 4 PHE C C 4 176.302 177.373 -1.071 1
1 51 . 10 1 1 A 4 4 PHE CA C 4 58.368 62.641 -4.273 1
1 52 . 10 1 1 A 4 4 PHE CB C 4 37.526 39.247 -1.721 1
1 56 . 10 1 1 A 4 4 PHE N N 4 122.510 122.930 -0.420 1
1 57 . 10 1 1 A 5 5 ALA H H 5 9.195 8.409 0.786 1
1 58 . 10 1 1 A 5 5 ALA HA H 5 3.692 3.980 -0.288 1
1 62 . 10 1 1 A 5 5 ALA C C 5 178.210 179.243 -1.033 1
1 63 . 10 1 1 A 5 5 ALA CA C 5 56.073 55.320 0.753 1
1 64 . 10 1 1 A 5 5 ALA CB C 5 17.897 18.254 -0.357 1
1 65 . 10 1 1 A 5 5 ALA N N 5 120.106 121.119 -1.013 1
1 66 . 10 1 1 A 6 6 ASP H H 6 7.978 7.969 0.009 1
1 67 . 10 1 1 A 6 6 ASP HA H 6 4.615 4.575 0.040 1
1 70 . 10 1 1 A 6 6 ASP C C 6 179.370 178.305 1.065 1
1 71 . 10 1 1 A 6 6 ASP CA C 6 57.369 57.314 0.055 1
1 72 . 10 1 1 A 6 6 ASP CB C 6 39.556 40.891 -1.335 1
1 73 . 10 1 1 A 6 6 ASP N N 6 115.486 118.578 -3.092 1
1 74 . 10 1 1 A 7 7 TYR H H 7 8.776 8.185 0.591 1
1 75 . 10 1 1 A 7 7 TYR HA H 7 3.984 4.313 -0.329 1
1 82 . 10 1 1 A 7 7 TYR C C 7 176.232 177.470 -1.238 1
1 83 . 10 1 1 A 7 7 TYR CA C 7 62.241 61.547 0.694 1
1 84 . 10 1 1 A 7 7 TYR CB C 7 38.521 38.478 0.043 1
1 87 . 10 1 1 A 7 7 TYR N N 7 120.885 120.839 0.046 1
1 88 . 10 1 1 A 8 8 PHE H H 8 9.024 8.324 0.700 1
1 89 . 10 1 1 A 8 8 PHE HA H 8 3.732 4.186 -0.454 1
1 97 . 10 1 1 A 8 8 PHE C C 8 176.261 177.053 -0.792 1
1 98 . 10 1 1 A 8 8 PHE CA C 8 62.936 62.049 0.887 1
1 99 . 10 1 1 A 8 8 PHE CB C 8 39.553 38.883 0.670 1
1 103 . 10 1 1 A 8 8 PHE N N 8 118.754 121.066 -2.312 1
1 104 . 10 1 1 A 9 9 TYR H H 9 8.202 8.349 -0.147 1
1 105 . 10 1 1 A 9 9 TYR HA H 9 3.742 3.983 -0.241 1
1 112 . 10 1 1 A 9 9 TYR C C 9 176.496 177.128 -0.632 1
1 113 . 10 1 1 A 9 9 TYR CA C 9 62.939 61.298 1.641 1
1 114 . 10 1 1 A 9 9 TYR CB C 9 37.941 38.287 -0.346 1
1 117 . 10 1 1 A 9 9 TYR N N 9 117.271 120.475 -3.204 1
1 118 . 10 1 1 A 10 10 GLN H H 10 8.029 8.851 -0.822 1
1 119 . 10 1 1 A 10 10 GLN HA H 10 3.928 3.962 -0.034 1
1 126 . 10 1 1 A 10 10 GLN C C 10 177.393 177.665 -0.272 1
1 127 . 10 1 1 A 10 10 GLN CA C 10 58.717 58.538 0.179 1
1 128 . 10 1 1 A 10 10 GLN CB C 10 28.482 28.799 -0.317 1
1 130 . 10 1 1 A 10 10 GLN N N 10 117.935 118.236 -0.301 1
1 132 . 10 1 1 A 11 11 TRP H H 11 8.772 8.111 0.661 1
1 133 . 10 1 1 A 11 11 TRP HA H 11 3.690 4.128 -0.438 1
1 142 . 10 1 1 A 11 11 TRP C C 11 178.487 177.589 0.898 1
1 143 . 10 1 1 A 11 11 TRP CA C 11 61.256 60.728 0.528 1
1 144 . 10 1 1 A 11 11 TRP CB C 11 27.472 29.199 -1.727 1
1 150 . 10 1 1 A 11 11 TRP N N 11 121.577 121.922 -0.345 1
1 152 . 10 1 1 A 12 12 TYR H H 12 8.168 8.020 0.148 1
1 153 . 10 1 1 A 12 12 TYR HA H 12 2.938 3.247 -0.309 1
1 160 . 10 1 1 A 12 12 TYR C C 12 177.277 176.938 0.339 1
1 161 . 10 1 1 A 12 12 TYR CA C 12 59.178 60.928 -1.750 1
1 162 . 10 1 1 A 12 12 TYR CB C 12 36.729 37.931 -1.202 1
1 165 . 10 1 1 A 12 12 TYR N N 12 121.811 120.951 0.860 1
1 166 . 10 1 1 A 13 13 GLU H H 13 8.434 7.967 0.467 1
1 167 . 10 1 1 A 13 13 GLU HA H 13 2.996 3.099 -0.103 1
1 172 . 10 1 1 A 13 13 GLU C C 13 177.157 178.488 -1.331 1
1 173 . 10 1 1 A 13 13 GLU CA C 13 59.164 58.561 0.603 1
1 174 . 10 1 1 A 13 13 GLU CB C 13 29.447 29.054 0.393 1
1 176 . 10 1 1 A 13 13 GLU N N 13 123.599 119.112 4.487 1
1 177 . 10 1 1 A 14 14 VAL H H 14 7.605 7.393 0.212 1
1 178 . 10 1 1 A 14 14 VAL HA H 14 3.562 3.560 0.002 1
1 186 . 10 1 1 A 14 14 VAL C C 14 177.289 176.614 0.675 1
1 187 . 10 1 1 A 14 14 VAL CA C 14 64.338 65.274 -0.936 1
1 188 . 10 1 1 A 14 14 VAL CB C 14 32.669 31.244 1.425 1
1 191 . 10 1 1 A 14 14 VAL N N 14 113.566 119.799 -6.233 1
1 192 . 10 1 1 A 15 15 ASN H H 15 7.482 7.469 0.013 1
1 193 . 10 1 1 A 15 15 ASN HA H 15 4.429 4.668 -0.239 1
1 198 . 10 1 1 A 15 15 ASN C C 15 175.201 176.339 -1.138 1
1 199 . 10 1 1 A 15 15 ASN CA C 15 55.218 53.939 1.279 1
1 200 . 10 1 1 A 15 15 ASN CB C 15 39.927 40.376 -0.449 1
1 201 . 10 1 1 A 15 15 ASN N N 15 112.195 117.303 -5.108 1
1 203 . 10 1 1 A 16 16 LYS H H 16 7.413 7.971 -0.558 1
1 204 . 10 1 1 A 16 16 LYS HA H 16 4.338 4.100 0.238 1
1 213 . 10 1 1 A 16 16 LYS C C 16 175.309 178.287 -2.978 1
1 214 . 10 1 1 A 16 16 LYS CA C 16 54.807 57.448 -2.641 1
1 215 . 10 1 1 A 16 16 LYS CB C 16 32.665 32.465 0.200 1
1 219 . 10 1 1 A 16 16 LYS N N 16 115.814 118.108 -2.294 1
1 220 . 10 1 1 A 17 17 LEU H H 17 7.490 7.653 -0.163 1
1 221 . 10 1 1 A 17 17 LEU HA H 17 3.603 3.691 -0.088 1
1 231 . 10 1 1 A 17 17 LEU C C 17 173.754 177.396 -3.642 1
1 232 . 10 1 1 A 17 17 LEU CA C 17 59.847 59.701 0.146 1
1 233 . 10 1 1 A 17 17 LEU CB C 17 39.552 39.700 -0.148 1
1 237 . 10 1 1 A 17 17 LEU N N 17 121.586 121.364 0.222 1
1 238 . 10 1 1 A 18 18 PRO HA H 18 4.107 4.280 -0.173 1
1 245 . 10 1 1 A 18 18 PRO C C 18 176.412 176.360 0.052 1
1 246 . 10 1 1 A 18 18 PRO CA C 18 64.656 63.826 0.830 1
1 247 . 10 1 1 A 18 18 PRO CB C 18 30.980 32.347 -1.367 1
1 250 . 10 1 1 A 19 19 HIS H H 19 7.631 7.910 -0.279 1
1 251 . 10 1 1 A 19 19 HIS HA H 19 4.857 4.804 0.053 1
1 256 . 10 1 1 A 19 19 HIS C C 19 175.822 175.105 0.717 1
1 257 . 10 1 1 A 19 19 HIS CA C 19 55.004 55.353 -0.349 1
1 258 . 10 1 1 A 19 19 HIS CB C 19 32.358 31.326 1.032 1
1 260 . 10 1 1 A 19 19 HIS N N 19 111.190 117.200 -6.010 1
1 263 . 10 1 1 A 20 20 VAL H H 20 7.124 6.819 0.305 1
1 264 . 10 1 1 A 20 20 VAL HA H 20 4.728 4.816 -0.088 1
1 272 . 10 1 1 A 20 20 VAL C C 20 175.497 175.614 -0.117 1
1 273 . 10 1 1 A 20 20 VAL CA C 20 60.134 59.631 0.503 1
1 274 . 10 1 1 A 20 20 VAL CB C 20 34.199 34.904 -0.705 1
1 277 . 10 1 1 A 20 20 VAL N N 20 112.191 115.164 -2.973 1
1 278 . 10 1 1 A 21 21 SER H H 21 8.589 8.597 -0.008 1
1 279 . 10 1 1 A 21 21 SER HA H 21 4.531 4.943 -0.412 1
1 282 . 10 1 1 A 21 21 SER C C 21 174.840 175.938 -1.098 1
1 283 . 10 1 1 A 21 21 SER CA C 21 57.236 56.526 0.710 1
1 284 . 10 1 1 A 21 21 SER CB C 21 65.251 66.544 -1.293 1
1 285 . 10 1 1 A 21 21 SER N N 21 116.825 116.490 0.335 1
1 286 . 10 1 1 A 22 22 GLU H H 22 8.964 8.991 -0.027 1
1 287 . 10 1 1 A 22 22 GLU HA H 22 3.922 4.139 -0.217 1
1 292 . 10 1 1 A 22 22 GLU C C 22 178.606 178.969 -0.363 1
1 293 . 10 1 1 A 22 22 GLU CA C 22 59.837 59.582 0.255 1
1 294 . 10 1 1 A 22 22 GLU CB C 22 29.239 29.217 0.022 1
1 296 . 10 1 1 A 22 22 GLU N N 22 120.863 120.731 0.132 1
1 297 . 10 1 1 A 23 23 SER H H 23 8.426 7.862 0.564 1
1 298 . 10 1 1 A 23 23 SER HA H 23 4.151 4.285 -0.134 1
1 301 . 10 1 1 A 23 23 SER C C 23 176.977 177.672 -0.695 1
1 302 . 10 1 1 A 23 23 SER CA C 23 61.220 61.656 -0.436 1
1 303 . 10 1 1 A 23 23 SER CB C 23 62.252 62.967 -0.715 1
1 304 . 10 1 1 A 23 23 SER N N 23 112.196 115.996 -3.800 1
1 305 . 10 1 1 A 24 24 THR H H 24 7.749 8.186 -0.437 1
1 306 . 10 1 1 A 24 24 THR HA H 24 4.163 4.409 -0.246 1
1 311 . 10 1 1 A 24 24 THR C C 24 176.523 176.867 -0.344 1
1 312 . 10 1 1 A 24 24 THR CA C 24 66.045 67.463 -1.418 1
1 313 . 10 1 1 A 24 24 THR CB C 24 68.305 68.389 -0.084 1
1 315 . 10 1 1 A 24 24 THR N N 24 120.348 118.179 2.169 1
1 316 . 10 1 1 A 25 25 LYS H H 25 8.605 8.552 0.053 1
1 317 . 10 1 1 A 25 25 LYS HA H 25 4.064 3.931 0.133 1
1 326 . 10 1 1 A 25 25 LYS C C 25 178.447 180.176 -1.729 1
1 327 . 10 1 1 A 25 25 LYS CA C 25 61.087 60.353 0.734 1
1 328 . 10 1 1 A 25 25 LYS CB C 25 32.717 32.468 0.249 1
1 332 . 10 1 1 A 25 25 LYS N N 25 123.593 120.546 3.047 1
1 333 . 10 1 1 A 26 26 ARG H H 26 7.485 8.057 -0.572 1
1 334 . 10 1 1 A 26 26 ARG HA H 26 4.146 4.155 -0.009 1
1 341 . 10 1 1 A 26 26 ARG C C 26 179.845 179.255 0.590 1
1 342 . 10 1 1 A 26 26 ARG CA C 26 58.916 59.705 -0.789 1
1 343 . 10 1 1 A 26 26 ARG CB C 26 30.384 29.702 0.682 1
1 346 . 10 1 1 A 26 26 ARG N N 26 114.116 119.522 -5.406 1
1 347 . 10 1 1 A 27 27 HIS H H 27 7.677 8.265 -0.588 1
1 348 . 10 1 1 A 27 27 HIS HA H 27 4.757 4.411 0.346 1
1 353 . 10 1 1 A 27 27 HIS C C 27 179.743 177.503 2.240 1
1 354 . 10 1 1 A 27 27 HIS CA C 27 58.659 59.092 -0.433 1
1 355 . 10 1 1 A 27 27 HIS CB C 27 30.967 30.271 0.696 1
1 358 . 10 1 1 A 27 27 HIS N N 27 119.389 118.448 0.941 1
1 361 . 10 1 1 A 28 28 TYR H H 28 8.119 8.107 0.012 1
1 362 . 10 1 1 A 28 28 TYR HA H 28 4.009 4.084 -0.075 1
1 369 . 10 1 1 A 28 28 TYR C C 28 178.685 178.523 0.162 1
1 370 . 10 1 1 A 28 28 TYR CA C 28 63.311 61.964 1.347 1
1 371 . 10 1 1 A 28 28 TYR CB C 28 38.879 37.188 1.691 1
1 374 . 10 1 1 A 28 28 TYR N N 28 121.786 117.290 4.496 1
1 375 . 10 1 1 A 29 29 GLU H H 29 8.631 8.749 -0.118 1
1 376 . 10 1 1 A 29 29 GLU HA H 29 4.067 4.128 -0.061 1
1 381 . 10 1 1 A 29 29 GLU C C 29 179.950 178.831 1.119 1
1 382 . 10 1 1 A 29 29 GLU CA C 29 59.827 60.117 -0.290 1
1 383 . 10 1 1 A 29 29 GLU CB C 29 29.172 29.518 -0.346 1
1 385 . 10 1 1 A 29 29 GLU N N 29 119.090 119.914 -0.824 1
1 386 . 10 1 1 A 30 30 SER H H 30 8.307 8.465 -0.158 1
1 387 . 10 1 1 A 30 30 SER HA H 30 4.467 4.282 0.185 1
1 390 . 10 1 1 A 30 30 SER C C 30 177.445 176.476 0.969 1
1 391 . 10 1 1 A 30 30 SER CA C 30 61.068 62.143 -1.075 1
1 392 . 10 1 1 A 30 30 SER CB C 30 63.054 62.962 0.092 1
1 393 . 10 1 1 A 30 30 SER N N 30 115.027 116.610 -1.583 1
1 394 . 10 1 1 A 31 31 ALA H H 31 8.319 8.197 0.122 1
1 395 . 10 1 1 A 31 31 ALA HA H 31 4.070 4.193 -0.123 1
1 399 . 10 1 1 A 31 31 ALA C C 31 178.488 179.435 -0.947 1
1 400 . 10 1 1 A 31 31 ALA CA C 31 55.926 55.114 0.812 1
1 401 . 10 1 1 A 31 31 ALA CB C 31 18.510 18.878 -0.368 1
1 402 . 10 1 1 A 31 31 ALA N N 31 124.966 123.633 1.333 1
1 403 . 10 1 1 A 32 32 TYR H H 32 8.537 9.087 -0.550 1
1 404 . 10 1 1 A 32 32 TYR HA H 32 4.114 4.162 -0.048 1
1 411 . 10 1 1 A 32 32 TYR C C 32 175.705 178.066 -2.361 1
1 412 . 10 1 1 A 32 32 TYR CA C 32 60.480 62.136 -1.656 1
1 413 . 10 1 1 A 32 32 TYR CB C 32 37.864 39.152 -1.288 1
1 416 . 10 1 1 A 32 32 TYR N N 32 116.814 120.024 -3.210 1
1 417 . 10 1 1 A 33 33 LYS H H 33 7.988 8.749 -0.761 1
1 418 . 10 1 1 A 33 33 LYS HA H 33 3.513 3.930 -0.417 1
1 427 . 10 1 1 A 33 33 LYS C C 33 178.474 178.594 -0.120 1
1 428 . 10 1 1 A 33 33 LYS CA C 33 59.810 59.123 0.687 1
1 429 . 10 1 1 A 33 33 LYS CB C 33 32.000 32.037 -0.037 1
1 433 . 10 1 1 A 33 33 LYS N N 33 119.358 118.653 0.705 1
1 434 . 10 1 1 A 34 34 HIS H H 34 8.187 7.789 0.398 1
1 435 . 10 1 1 A 34 34 HIS HA H 34 4.449 4.594 -0.145 1
1 440 . 10 1 1 A 34 34 HIS C C 34 178.948 178.098 0.850 1
1 441 . 10 1 1 A 34 34 HIS CA C 34 60.883 60.804 0.079 1
1 442 . 10 1 1 A 34 34 HIS CB C 34 28.843 31.356 -2.513 1
1 445 . 10 1 1 A 34 34 HIS N N 34 116.156 118.421 -2.265 1
1 448 . 10 1 1 A 35 35 ILE H H 35 8.676 8.616 0.060 1
1 449 . 10 1 1 A 35 35 ILE HA H 35 3.513 3.489 0.024 1
1 459 . 10 1 1 A 35 35 ILE C C 35 177.630 178.509 -0.879 1
1 460 . 10 1 1 A 35 35 ILE CA C 35 65.690 65.366 0.324 1
1 461 . 10 1 1 A 35 35 ILE CB C 35 38.481 37.593 0.888 1
1 465 . 10 1 1 A 35 35 ILE N N 35 121.824 120.691 1.133 1
1 466 . 10 1 1 A 36 36 LYS H H 36 8.797 8.242 0.555 1
1 467 . 10 1 1 A 36 36 LYS HA H 36 3.712 4.050 -0.338 1
1 476 . 10 1 1 A 36 36 LYS C C 36 179.397 178.524 0.873 1
1 477 . 10 1 1 A 36 36 LYS CA C 36 59.860 58.950 0.910 1
1 478 . 10 1 1 A 36 36 LYS CB C 36 31.878 31.532 0.346 1
1 482 . 10 1 1 A 36 36 LYS N N 36 121.589 120.515 1.074 1
1 483 . 10 1 1 A 37 37 ASP H H 37 8.246 7.835 0.411 1
1 484 . 10 1 1 A 37 37 ASP HA H 37 4.336 4.296 0.040 1
1 487 . 10 1 1 A 37 37 ASP C C 37 177.234 178.404 -1.170 1
1 488 . 10 1 1 A 37 37 ASP CA C 37 56.932 57.268 -0.336 1
1 489 . 10 1 1 A 37 37 ASP CB C 37 40.576 41.756 -1.180 1
1 490 . 10 1 1 A 37 37 ASP N N 37 118.225 120.565 -2.340 1
1 491 . 10 1 1 A 38 38 HIS H H 38 7.867 7.621 0.246 1
1 492 . 10 1 1 A 38 38 HIS HA H 38 4.284 4.349 -0.065 1
1 496 . 10 1 1 A 38 38 HIS C C 38 176.839 175.609 1.230 1
1 497 . 10 1 1 A 38 38 HIS CA C 38 59.389 59.075 0.314 1
1 498 . 10 1 1 A 38 38 HIS CB C 38 31.630 30.943 0.687 1
1 500 . 10 1 1 A 38 38 HIS N N 38 115.487 115.571 -0.084 1
1 501 . 10 1 1 A 39 39 PHE H H 39 9.082 8.695 0.387 1
1 502 . 10 1 1 A 39 39 PHE HA H 39 4.369 4.686 -0.317 1
1 510 . 10 1 1 A 39 39 PHE C C 39 175.890 174.845 1.045 1
1 511 . 10 1 1 A 39 39 PHE CA C 39 60.159 56.154 4.005 1
1 512 . 10 1 1 A 39 39 PHE CB C 39 38.850 37.031 1.819 1
1 516 . 10 1 1 A 39 39 PHE N N 39 114.327 116.381 -2.054 1
1 517 . 10 1 1 A 40 40 ARG H H 40 8.104 7.625 0.479 1
1 518 . 10 1 1 A 40 40 ARG HA H 40 3.921 4.164 -0.243 1
1 525 . 10 1 1 A 40 40 ARG C C 40 176.892 176.490 0.402 1
1 526 . 10 1 1 A 40 40 ARG CA C 40 58.009 56.477 1.532 1
1 527 . 10 1 1 A 40 40 ARG CB C 40 27.531 30.071 -2.540 1
1 530 . 10 1 1 A 40 40 ARG N N 40 118.379 122.547 -4.168 1
1 531 . 10 1 1 A 41 41 HIS H H 41 8.589 8.671 -0.082 1
1 532 . 10 1 1 A 41 41 HIS HA H 41 4.910 4.124 0.786 1
1 536 . 10 1 1 A 41 41 HIS C C 41 174.835 173.550 1.285 1
1 537 . 10 1 1 A 41 41 HIS CA C 41 55.473 57.314 -1.841 1
1 538 . 10 1 1 A 41 41 HIS CB C 41 29.720 26.993 2.727 1
1 540 . 10 1 1 A 41 41 HIS N N 41 123.828 119.002 4.826 1
1 541 . 10 1 1 A 42 42 LYS H H 42 8.326 7.452 0.874 1
1 542 . 10 1 1 A 42 42 LYS HA H 42 4.181 4.657 -0.476 1
1 551 . 10 1 1 A 42 42 LYS C C 42 177.973 175.881 2.092 1
1 552 . 10 1 1 A 42 42 LYS CA C 42 58.201 55.525 2.676 1
1 553 . 10 1 1 A 42 42 LYS CB C 42 33.047 34.144 -1.097 1
1 557 . 10 1 1 A 42 42 LYS N N 42 121.129 119.606 1.523 1
1 558 . 10 1 1 A 43 43 LEU H H 43 9.243 8.637 0.606 1
1 559 . 10 1 1 A 43 43 LEU HA H 43 4.346 4.334 0.012 1
1 569 . 10 1 1 A 43 43 LEU C C 43 177.840 178.642 -0.802 1
1 570 . 10 1 1 A 43 43 LEU CA C 43 55.420 55.436 -0.016 1
1 571 . 10 1 1 A 43 43 LEU CB C 43 40.936 42.035 -1.099 1
1 575 . 10 1 1 A 43 43 LEU N N 43 124.529 128.119 -3.590 1
1 576 . 10 1 1 A 44 44 LEU H H 44 8.404 8.477 -0.073 1
1 577 . 10 1 1 A 44 44 LEU HA H 44 3.681 3.976 -0.295 1
1 587 . 10 1 1 A 44 44 LEU C C 44 177.962 177.660 0.302 1
1 588 . 10 1 1 A 44 44 LEU CA C 44 58.773 57.295 1.478 1
1 589 . 10 1 1 A 44 44 LEU CB C 44 42.661 41.792 0.869 1
1 593 . 10 1 1 A 44 44 LEU N N 44 123.643 122.872 0.771 1
1 594 . 10 1 1 A 45 45 LYS HA H 45 4.126 4.035 0.091 1
1 603 . 10 1 1 A 45 45 LYS C C 45 175.533 177.234 -1.701 1
1 604 . 10 1 1 A 45 45 LYS CA C 45 57.405 58.328 -0.923 1
1 605 . 10 1 1 A 45 45 LYS CB C 45 31.650 31.235 0.415 1
1 609 . 10 1 1 A 46 46 ASP H H 46 7.520 8.061 -0.541 1
1 610 . 10 1 1 A 46 46 ASP HA H 46 4.888 4.696 0.192 1
1 613 . 10 1 1 A 46 46 ASP C C 46 175.811 176.123 -0.312 1
1 614 . 10 1 1 A 46 46 ASP CA C 46 54.268 54.264 0.004 1
1 615 . 10 1 1 A 46 46 ASP CB C 46 42.178 41.390 0.788 1
1 616 . 10 1 1 A 46 46 ASP N N 46 118.587 119.117 -0.530 1
1 617 . 10 1 1 A 47 47 ILE H H 47 6.965 7.243 -0.278 1
1 618 . 10 1 1 A 47 47 ILE HA H 47 4.048 4.103 -0.055 1
1 628 . 10 1 1 A 47 47 ILE C C 47 175.362 174.776 0.586 1
1 629 . 10 1 1 A 47 47 ILE CA C 47 59.826 60.782 -0.956 1
1 630 . 10 1 1 A 47 47 ILE CB C 47 34.389 36.559 -2.170 1
1 634 . 10 1 1 A 47 47 ILE N N 47 119.126 121.995 -2.869 1
1 635 . 10 1 1 A 48 48 LYS H H 48 8.489 8.753 -0.264 1
1 636 . 10 1 1 A 48 48 LYS HA H 48 4.635 4.431 0.204 1
1 645 . 10 1 1 A 48 48 LYS C C 48 177.252 177.807 -0.555 1
1 646 . 10 1 1 A 48 48 LYS CA C 48 54.357 54.825 -0.468 1
1 647 . 10 1 1 A 48 48 LYS CB C 48 34.753 33.858 0.895 1
1 651 . 10 1 1 A 48 48 LYS N N 48 127.892 128.139 -0.247 1
1 652 . 10 1 1 A 49 49 ARG H H 49 8.816 8.737 0.079 1
1 653 . 10 1 1 A 49 49 ARG HA H 49 4.314 4.102 0.212 1
1 660 . 10 1 1 A 49 49 ARG C C 49 178.464 177.818 0.646 1
1 661 . 10 1 1 A 49 49 ARG CA C 49 60.341 58.584 1.757 1
1 662 . 10 1 1 A 49 49 ARG CB C 49 30.197 29.853 0.344 1
1 665 . 10 1 1 A 49 49 ARG N N 49 122.736 122.337 0.399 1
1 666 . 10 1 1 A 50 50 THR H H 50 8.269 8.050 0.219 1
1 667 . 10 1 1 A 50 50 THR HA H 50 4.079 4.040 0.039 1
1 672 . 10 1 1 A 50 50 THR C C 50 177.316 177.528 -0.212 1
1 673 . 10 1 1 A 50 50 THR CA C 50 65.501 65.694 -0.193 1
1 674 . 10 1 1 A 50 50 THR CB C 50 67.951 68.168 -0.217 1
1 676 . 10 1 1 A 50 50 THR N N 50 110.696 112.057 -1.361 1
1 677 . 10 1 1 A 51 51 GLU H H 51 7.260 7.710 -0.450 1
1 678 . 10 1 1 A 51 51 GLU HA H 51 4.239 4.287 -0.048 1
1 683 . 10 1 1 A 51 51 GLU C C 51 179.621 178.597 1.024 1
1 684 . 10 1 1 A 51 51 GLU CA C 51 58.921 59.025 -0.104 1
1 685 . 10 1 1 A 51 51 GLU CB C 51 29.916 29.391 0.525 1
1 687 . 10 1 1 A 51 51 GLU N N 51 121.344 122.070 -0.726 1
1 688 . 10 1 1 A 52 52 TYR H H 52 8.678 8.305 0.373 1
1 689 . 10 1 1 A 52 52 TYR HA H 52 4.376 4.299 0.077 1
1 697 . 10 1 1 A 52 52 TYR C C 52 176.120 177.693 -1.573 1
1 698 . 10 1 1 A 52 52 TYR CA C 52 62.660 61.852 0.808 1
1 699 . 10 1 1 A 52 52 TYR CB C 52 38.206 38.699 -0.493 1
1 702 . 10 1 1 A 52 52 TYR N N 52 122.483 122.068 0.415 1
1 703 . 10 1 1 A 53 53 GLN H H 53 8.801 8.002 0.799 1
1 704 . 10 1 1 A 53 53 GLN HA H 53 3.721 3.694 0.027 1
1 711 . 10 1 1 A 53 53 GLN C C 53 177.894 178.029 -0.135 1
1 712 . 10 1 1 A 53 53 GLN CA C 53 58.111 58.501 -0.390 1
1 713 . 10 1 1 A 53 53 GLN CB C 53 28.909 28.262 0.647 1
1 715 . 10 1 1 A 53 53 GLN N N 53 118.817 116.733 2.084 1
1 717 . 10 1 1 A 54 54 LYS H H 54 7.685 7.408 0.277 1
1 718 . 10 1 1 A 54 54 LYS HA H 54 4.051 4.040 0.011 1
1 727 . 10 1 1 A 54 54 LYS C C 54 178.918 178.539 0.379 1
1 728 . 10 1 1 A 54 54 LYS CA C 54 59.845 58.711 1.134 1
1 729 . 10 1 1 A 54 54 LYS CB C 54 32.339 32.066 0.273 1
1 733 . 10 1 1 A 54 54 LYS N N 54 118.629 118.987 -0.358 1
1 734 . 10 1 1 A 55 55 PHE H H 55 7.533 7.778 -0.245 1
1 735 . 10 1 1 A 55 55 PHE HA H 55 3.660 3.809 -0.149 1
1 743 . 10 1 1 A 55 55 PHE C C 55 176.180 176.862 -0.682 1
1 744 . 10 1 1 A 55 55 PHE CA C 55 59.494 61.000 -1.506 1
1 745 . 10 1 1 A 55 55 PHE CB C 55 38.189 38.945 -0.756 1
1 749 . 10 1 1 A 55 55 PHE N N 55 120.449 120.664 -0.215 1
1 750 . 10 1 1 A 56 56 LEU H H 56 8.019 8.468 -0.449 1
1 751 . 10 1 1 A 56 56 LEU HA H 56 3.254 3.578 -0.324 1
1 761 . 10 1 1 A 56 56 LEU C C 56 179.581 178.893 0.688 1
1 762 . 10 1 1 A 56 56 LEU CA C 56 57.366 57.411 -0.045 1
1 763 . 10 1 1 A 56 56 LEU CB C 56 41.462 40.766 0.696 1
1 767 . 10 1 1 A 56 56 LEU N N 56 120.223 119.274 0.949 1
1 768 . 10 1 1 A 57 57 ASN H H 57 8.427 8.492 -0.065 1
1 769 . 10 1 1 A 57 57 ASN HA H 57 4.324 4.234 0.090 1
1 774 . 10 1 1 A 57 57 ASN C C 57 178.105 177.934 0.171 1
1 775 . 10 1 1 A 57 57 ASN CA C 57 55.194 56.831 -1.637 1
1 776 . 10 1 1 A 57 57 ASN CB C 57 36.948 39.538 -2.590 1
1 777 . 10 1 1 A 57 57 ASN N N 57 118.422 118.256 0.166 1
1 779 . 10 1 1 A 58 58 GLU H H 58 7.873 7.828 0.045 1
1 780 . 10 1 1 A 58 58 GLU HA H 58 4.063 4.088 -0.025 1
1 785 . 10 1 1 A 58 58 GLU C C 58 179.660 178.522 1.138 1
1 786 . 10 1 1 A 58 58 GLU CA C 58 59.064 59.265 -0.201 1
1 787 . 10 1 1 A 58 58 GLU CB C 58 29.592 29.384 0.208 1
1 789 . 10 1 1 A 58 58 GLU N N 58 121.129 119.265 1.864 1
1 790 . 10 1 1 A 59 59 TYR H H 59 8.638 7.737 0.901 1
1 791 . 10 1 1 A 59 59 TYR HA H 59 3.949 4.042 -0.093 1
1 798 . 10 1 1 A 59 59 TYR C C 59 179.907 178.132 1.775 1
1 799 . 10 1 1 A 59 59 TYR CA C 59 61.870 61.057 0.813 1
1 800 . 10 1 1 A 59 59 TYR CB C 59 38.156 38.115 0.041 1
1 803 . 10 1 1 A 59 59 TYR N N 59 124.461 120.631 3.830 1
1 804 . 10 1 1 A 60 60 GLY H H 60 8.925 8.724 0.201 1
1 805 . 10 1 1 A 60 60 GLY HA2 H 60 3.947 3.906 0.041 1
1 806 . 10 1 1 A 60 60 GLY HA3 H 60 4.175 3.936 0.239 1
1 807 . 10 1 1 A 60 60 GLY C C 60 173.294 174.983 -1.689 1
1 808 . 10 1 1 A 60 60 GLY CA C 60 46.424 46.135 0.289 1
1 809 . 10 1 1 A 60 60 GLY N N 60 107.578 106.219 1.359 1
1 810 . 10 1 1 A 61 61 LEU H H 61 7.448 7.558 -0.110 1
1 811 . 10 1 1 A 61 61 LEU HA H 61 4.238 4.264 -0.026 1
1 821 . 10 1 1 A 61 61 LEU C C 61 179.159 177.978 1.181 1
1 822 . 10 1 1 A 61 61 LEU CA C 61 57.274 56.027 1.247 1
1 823 . 10 1 1 A 61 61 LEU CB C 61 42.304 42.084 0.220 1
1 827 . 10 1 1 A 61 61 LEU N N 61 118.202 120.717 -2.515 1
1 828 . 10 1 1 A 62 62 THR H H 62 6.974 7.220 -0.246 1
1 829 . 10 1 1 A 62 62 THR HA H 62 4.385 4.520 -0.135 1
1 834 . 10 1 1 A 62 62 THR C C 62 173.170 173.604 -0.434 1
1 835 . 10 1 1 A 62 62 THR CA C 62 59.813 61.656 -1.843 1
1 836 . 10 1 1 A 62 62 THR CB C 62 69.697 70.660 -0.963 1
1 838 . 10 1 1 A 62 62 THR N N 62 101.223 104.956 -3.733 1
1 839 . 10 1 1 A 63 63 HIS H H 63 7.041 7.531 -0.490 1
1 840 . 10 1 1 A 63 63 HIS HA H 63 4.861 4.912 -0.051 1
1 845 . 10 1 1 A 63 63 HIS C C 63 172.567 175.095 -2.528 1
1 846 . 10 1 1 A 63 63 HIS CA C 63 55.522 54.441 1.081 1
1 847 . 10 1 1 A 63 63 HIS CB C 63 32.328 32.945 -0.617 1
1 850 . 10 1 1 A 63 63 HIS N N 63 116.818 120.223 -3.405 1
1 853 . 10 1 1 A 64 64 SER H H 64 8.717 8.712 0.005 1
1 854 . 10 1 1 A 64 64 SER HA H 64 4.582 4.510 0.072 1
1 857 . 10 1 1 A 64 64 SER C C 64 174.545 175.203 -0.658 1
1 858 . 10 1 1 A 64 64 SER CA C 64 57.169 59.077 -1.908 1
1 859 . 10 1 1 A 64 64 SER CB C 64 65.484 64.312 1.172 1
1 860 . 10 1 1 A 64 64 SER N N 64 116.128 116.561 -0.433 1
1 861 . 10 1 1 A 65 65 TYR H H 65 9.054 9.251 -0.197 1
1 862 . 10 1 1 A 65 65 TYR HA H 65 4.059 4.145 -0.086 1
1 869 . 10 1 1 A 65 65 TYR C C 65 176.918 177.817 -0.899 1
1 870 . 10 1 1 A 65 65 TYR CA C 65 61.906 62.627 -0.721 1
1 871 . 10 1 1 A 65 65 TYR CB C 65 38.185 38.982 -0.797 1
1 874 . 10 1 1 A 65 65 TYR N N 65 121.679 124.321 -2.642 1
1 875 . 10 1 1 A 66 66 GLU H H 66 8.965 8.244 0.721 1
1 876 . 10 1 1 A 66 66 GLU HA H 66 3.888 3.872 0.016 1
1 881 . 10 1 1 A 66 66 GLU C C 66 178.764 179.267 -0.503 1
1 882 . 10 1 1 A 66 66 GLU CA C 66 59.329 59.034 0.295 1
1 883 . 10 1 1 A 66 66 GLU CB C 66 28.874 29.054 -0.180 1
1 885 . 10 1 1 A 66 66 GLU N N 66 117.723 119.795 -2.072 1
1 886 . 10 1 1 A 67 67 THR H H 67 7.626 8.068 -0.442 1
1 887 . 10 1 1 A 67 67 THR HA H 67 3.864 4.082 -0.218 1
1 892 . 10 1 1 A 67 67 THR C C 67 176.681 176.546 0.135 1
1 893 . 10 1 1 A 67 67 THR CA C 67 66.368 67.307 -0.939 1
1 894 . 10 1 1 A 67 67 THR CB C 67 68.290 68.647 -0.357 1
1 896 . 10 1 1 A 67 67 THR N N 67 116.084 116.673 -0.589 1
1 897 . 10 1 1 A 68 68 ILE H H 68 8.324 7.995 0.329 1
1 898 . 10 1 1 A 68 68 ILE HA H 68 3.686 3.835 -0.149 1
1 908 . 10 1 1 A 68 68 ILE C C 68 176.527 177.407 -0.880 1
1 909 . 10 1 1 A 68 68 ILE CA C 68 65.205 62.824 2.381 1
1 910 . 10 1 1 A 68 68 ILE CB C 68 38.355 37.693 0.662 1
1 914 . 10 1 1 A 68 68 ILE N N 68 123.174 120.617 2.557 1
1 915 . 10 1 1 A 69 69 ARG H H 69 8.407 8.184 0.223 1
1 916 . 10 1 1 A 69 69 ARG HA H 69 3.673 3.652 0.021 1
1 923 . 10 1 1 A 69 69 ARG C C 69 179.687 178.664 1.023 1
1 924 . 10 1 1 A 69 69 ARG CA C 69 59.577 59.708 -0.131 1
1 925 . 10 1 1 A 69 69 ARG CB C 69 29.560 29.643 -0.083 1
1 928 . 10 1 1 A 69 69 ARG N N 69 121.358 121.866 -0.508 1
1 929 . 10 1 1 A 70 70 LYS H H 70 7.562 7.947 -0.385 1
1 930 . 10 1 1 A 70 70 LYS HA H 70 3.617 4.001 -0.384 1
1 939 . 10 1 1 A 70 70 LYS C C 70 177.129 178.251 -1.122 1
1 940 . 10 1 1 A 70 70 LYS CA C 70 59.380 58.901 0.479 1
1 941 . 10 1 1 A 70 70 LYS CB C 70 31.978 31.499 0.479 1
1 945 . 10 1 1 A 70 70 LYS N N 70 120.218 119.288 0.930 1
1 946 . 10 1 1 A 71 71 LEU H H 71 7.640 7.923 -0.283 1
1 947 . 10 1 1 A 71 71 LEU HA H 71 3.629 4.020 -0.391 1
1 957 . 10 1 1 A 71 71 LEU C C 71 178.157 178.356 -0.199 1
1 958 . 10 1 1 A 71 71 LEU CA C 71 58.477 58.258 0.219 1
1 959 . 10 1 1 A 71 71 LEU CB C 71 41.262 41.414 -0.152 1
1 963 . 10 1 1 A 71 71 LEU N N 71 119.991 121.166 -1.175 1
1 964 . 10 1 1 A 72 72 ASN H H 72 8.474 8.605 -0.131 1
1 965 . 10 1 1 A 72 72 ASN HA H 72 4.485 4.819 -0.334 1
1 970 . 10 1 1 A 72 72 ASN C C 72 176.285 177.577 -1.292 1
1 971 . 10 1 1 A 72 72 ASN CA C 72 56.424 56.956 -0.532 1
1 972 . 10 1 1 A 72 72 ASN CB C 72 39.544 39.707 -0.163 1
1 973 . 10 1 1 A 72 72 ASN N N 72 114.097 117.596 -3.499 1
1 975 . 10 1 1 A 73 73 SER H H 73 7.878 7.759 0.119 1
1 976 . 10 1 1 A 73 73 SER HA H 73 4.177 4.217 -0.040 1
1 979 . 10 1 1 A 73 73 SER C C 73 176.734 176.758 -0.024 1
1 980 . 10 1 1 A 73 73 SER CA C 73 61.741 61.180 0.561 1
1 981 . 10 1 1 A 73 73 SER CB C 73 62.573 62.750 -0.177 1
1 982 . 10 1 1 A 73 73 SER N N 73 115.022 113.965 1.057 1
1 983 . 10 1 1 A 74 74 TYR H H 74 8.078 7.823 0.255 1
1 984 . 10 1 1 A 74 74 TYR HA H 74 5.168 4.733 0.435 1
1 991 . 10 1 1 A 74 74 TYR C C 74 178.436 178.524 -0.088 1
1 992 . 10 1 1 A 74 74 TYR CA C 74 58.023 61.044 -3.021 1
1 993 . 10 1 1 A 74 74 TYR CB C 74 37.835 38.931 -1.096 1
1 996 . 10 1 1 A 74 74 TYR N N 74 122.937 118.505 4.432 1
1 997 . 10 1 1 A 75 75 ILE H H 75 8.264 8.664 -0.400 1
1 998 . 10 1 1 A 75 75 ILE HA H 75 3.647 3.919 -0.272 1
1 1008 . 10 1 1 A 75 75 ILE C C 75 177.656 178.219 -0.563 1
1 1009 . 10 1 1 A 75 75 ILE CA C 75 66.349 65.658 0.691 1
1 1010 . 10 1 1 A 75 75 ILE CB C 75 37.494 38.126 -0.632 1
1 1014 . 10 1 1 A 75 75 ILE N N 75 119.080 120.206 -1.126 1
1 1015 . 10 1 1 A 76 76 ARG H H 76 9.316 8.923 0.393 1
1 1016 . 10 1 1 A 76 76 ARG HA H 76 3.896 4.069 -0.173 1
1 1024 . 10 1 1 A 76 76 ARG C C 76 179.033 178.573 0.460 1
1 1025 . 10 1 1 A 76 76 ARG CA C 76 60.536 58.998 1.538 1
1 1026 . 10 1 1 A 76 76 ARG CB C 76 30.238 30.015 0.223 1
1 1029 . 10 1 1 A 76 76 ARG N N 76 121.985 120.675 1.310 1
1 1031 . 10 1 1 A 77 77 ASN H H 77 8.003 7.995 0.008 1
1 1032 . 10 1 1 A 77 77 ASN HA H 77 4.605 4.562 0.043 1
1 1037 . 10 1 1 A 77 77 ASN C C 77 177.146 177.321 -0.175 1
1 1038 . 10 1 1 A 77 77 ASN CA C 77 55.755 56.089 -0.334 1
1 1039 . 10 1 1 A 77 77 ASN CB C 77 38.857 38.884 -0.027 1
1 1040 . 10 1 1 A 77 77 ASN N N 77 117.750 118.499 -0.749 1
1 1042 . 10 1 1 A 78 78 ALA H H 78 8.082 7.719 0.363 1
1 1043 . 10 1 1 A 78 78 ALA HA H 78 2.351 2.900 -0.549 1
1 1047 . 10 1 1 A 78 78 ALA C C 78 181.084 179.367 1.717 1
1 1048 . 10 1 1 A 78 78 ALA CA C 78 54.703 54.339 0.364 1
1 1049 . 10 1 1 A 78 78 ALA CB C 78 16.121 17.916 -1.795 1
1 1050 . 10 1 1 A 78 78 ALA N N 78 124.770 120.787 3.983 1
1 1051 . 10 1 1 A 79 79 PHE H H 79 8.603 7.736 0.867 1
1 1052 . 10 1 1 A 79 79 PHE HA H 79 3.974 4.250 -0.276 1
1 1060 . 10 1 1 A 79 79 PHE C C 79 177.841 177.919 -0.078 1
1 1061 . 10 1 1 A 79 79 PHE CA C 79 63.302 61.291 2.011 1
1 1062 . 10 1 1 A 79 79 PHE CB C 79 40.594 38.295 2.299 1
1 1066 . 10 1 1 A 79 79 PHE N N 79 116.847 115.765 1.082 1
1 1067 . 10 1 1 A 80 80 ASP H H 80 8.298 8.631 -0.333 1
1 1068 . 10 1 1 A 80 80 ASP HA H 80 4.620 4.460 0.160 1
1 1071 . 10 1 1 A 80 80 ASP C C 80 179.845 178.068 1.777 1
1 1072 . 10 1 1 A 80 80 ASP CA C 80 57.957 57.855 0.102 1
1 1073 . 10 1 1 A 80 80 ASP CB C 80 39.595 42.001 -2.406 1
1 1074 . 10 1 1 A 80 80 ASP N N 80 121.362 120.019 1.343 1
1 1075 . 10 1 1 A 81 81 ASP H H 81 8.051 8.343 -0.292 1
1 1076 . 10 1 1 A 81 81 ASP HA H 81 4.724 4.470 0.254 1
1 1079 . 10 1 1 A 81 81 ASP C C 81 177.963 178.169 -0.206 1
1 1080 . 10 1 1 A 81 81 ASP CA C 81 57.537 57.757 -0.220 1
1 1081 . 10 1 1 A 81 81 ASP CB C 81 39.463 41.288 -1.825 1
1 1082 . 10 1 1 A 81 81 ASP N N 81 122.166 119.535 2.631 1
1 1083 . 10 1 1 A 82 82 ALA H H 82 8.025 7.544 0.481 1
1 1084 . 10 1 1 A 82 82 ALA HA H 82 4.106 4.251 -0.145 1
1 1088 . 10 1 1 A 82 82 ALA C C 82 180.223 179.776 0.447 1
1 1089 . 10 1 1 A 82 82 ALA CA C 82 55.194 55.163 0.031 1
1 1090 . 10 1 1 A 82 82 ALA CB C 82 17.947 18.429 -0.482 1
1 1091 . 10 1 1 A 82 82 ALA N N 82 124.747 121.587 3.160 1
1 1092 . 10 1 1 A 83 83 ILE H H 83 8.327 8.659 -0.332 1
1 1093 . 10 1 1 A 83 83 ILE HA H 83 4.235 3.976 0.259 1
1 1103 . 10 1 1 A 83 83 ILE C C 83 180.768 177.780 2.988 1
1 1104 . 10 1 1 A 83 83 ILE CA C 83 63.966 63.611 0.355 1
1 1105 . 10 1 1 A 83 83 ILE CB C 83 38.254 37.957 0.297 1
1 1109 . 10 1 1 A 83 83 ILE N N 83 120.907 119.685 1.222 1
1 1110 . 10 1 1 A 84 84 HIS H H 84 7.934 8.264 -0.330 1
1 1111 . 10 1 1 A 84 84 HIS HA H 84 4.434 4.108 0.326 1
1 1116 . 10 1 1 A 84 84 HIS C C 84 178.250 177.406 0.844 1
1 1117 . 10 1 1 A 84 84 HIS CA C 84 59.042 59.818 -0.776 1
1 1118 . 10 1 1 A 84 84 HIS CB C 84 28.750 29.986 -1.236 1
1 1121 . 10 1 1 A 84 84 HIS N N 84 121.346 121.235 0.111 1
1 1124 . 10 1 1 A 85 85 GLU H H 85 8.074 7.545 0.529 1
1 1125 . 10 1 1 A 85 85 GLU HA H 85 4.192 4.263 -0.071 1
1 1130 . 10 1 1 A 85 85 GLU C C 85 176.510 176.608 -0.098 1
1 1131 . 10 1 1 A 85 85 GLU CA C 85 56.512 57.761 -1.249 1
1 1132 . 10 1 1 A 85 85 GLU CB C 85 30.284 30.917 -0.633 1
1 1134 . 10 1 1 A 85 85 GLU N N 85 115.467 117.891 -2.424 1
1 1135 . 10 1 1 A 86 86 GLY H H 86 7.715 8.413 -0.698 1
1 1136 . 10 1 1 A 86 86 GLY HA2 H 86 3.844 4.013 -0.169 1
1 1137 . 10 1 1 A 86 86 GLY HA3 H 86 4.136 4.016 0.120 1
1 1138 . 10 1 1 A 86 86 GLY C C 86 175.243 174.667 0.576 1
1 1139 . 10 1 1 A 86 86 GLY CA C 86 45.108 45.705 -0.597 1
1 1140 . 10 1 1 A 86 86 GLY N N 86 105.999 107.801 -1.802 1
1 1141 . 10 1 1 A 87 87 TYR H H 87 8.173 8.397 -0.224 1
1 1142 . 10 1 1 A 87 87 TYR HA H 87 4.396 4.358 0.038 1
1 1149 . 10 1 1 A 87 87 TYR CA C 87 59.317 60.724 -1.407 1
1 1150 . 10 1 1 A 87 87 TYR CB C 87 39.558 40.214 -0.656 1
1 1153 . 10 1 1 A 87 87 TYR N N 87 118.412 121.079 -2.667 1
1 1154 . 10 1 1 A 88 88 VAL HA H 88 4.583 4.490 0.093 1
1 1162 . 10 1 1 A 88 88 VAL CB C 88 36.112 35.465 0.647 1
1 1165 . 10 1 1 A 89 89 ILE HA H 89 4.426 4.175 0.251 1
1 1175 . 10 1 1 A 89 89 ILE CA C 89 61.984 60.896 1.088 1
1 1176 . 10 1 1 A 89 89 ILE CB C 89 39.850 39.349 0.501 1
1 1180 . 10 1 1 A 90 90 LYS H H 90 7.387 8.556 -1.169 1
1 1181 . 10 1 1 A 90 90 LYS HA H 90 4.508 4.039 0.469 1
1 1190 . 10 1 1 A 90 90 LYS C C 90 174.665 176.538 -1.873 1
1 1191 . 10 1 1 A 90 90 LYS CA C 90 54.111 58.637 -4.526 1
1 1192 . 10 1 1 A 90 90 LYS CB C 90 35.086 32.783 2.303 1
1 1196 . 10 1 1 A 91 91 ASN H H 91 8.803 7.595 1.208 1
1 1197 . 10 1 1 A 91 91 ASN HA H 91 4.279 4.675 -0.396 1
1 1202 . 10 1 1 A 91 91 ASN CB C 91 38.879 42.246 -3.367 1
1 1203 . 10 1 1 A 91 91 ASN N N 91 120.903 113.128 7.775 1
1 1205 . 10 1 1 A 92 92 PRO HA H 92 4.206 4.202 0.004 1
1 1212 . 10 1 1 A 92 92 PRO C C 92 174.751 177.496 -2.745 1
1 1213 . 10 1 1 A 92 92 PRO CA C 92 63.927 63.688 0.239 1
1 1214 . 10 1 1 A 92 92 PRO CB C 92 30.969 31.350 -0.381 1
1 1217 . 10 1 1 A 93 93 THR H H 93 7.441 7.402 0.039 1
1 1218 . 10 1 1 A 93 93 THR HA H 93 4.093 4.505 -0.412 1
1 1224 . 10 1 1 A 93 93 THR C C 93 175.922 176.015 -0.093 1
1 1225 . 10 1 1 A 93 93 THR CA C 93 62.221 63.102 -0.881 1
1 1226 . 10 1 1 A 93 93 THR CB C 93 69.463 69.068 0.395 1
1 1228 . 10 1 1 A 93 93 THR N N 93 105.991 111.621 -5.630 1
1 1229 . 10 1 1 A 94 94 TYR H H 94 7.139 7.933 -0.794 1
1 1230 . 10 1 1 A 94 94 TYR HA H 94 4.393 4.131 0.262 1
1 1237 . 10 1 1 A 94 94 TYR C C 94 176.180 176.949 -0.769 1
1 1238 . 10 1 1 A 94 94 TYR CA C 94 58.272 61.382 -3.110 1
1 1239 . 10 1 1 A 94 94 TYR CB C 94 37.490 38.858 -1.368 1
1 1242 . 10 1 1 A 94 94 TYR N N 94 124.098 123.228 0.870 1
1 1243 . 10 1 1 A 95 95 LYS H H 95 8.904 7.519 1.385 1
1 1244 . 10 1 1 A 95 95 LYS HA H 95 3.758 4.535 -0.777 1
1 1253 . 10 1 1 A 95 95 LYS C C 95 175.547 175.509 0.038 1
1 1254 . 10 1 1 A 95 95 LYS CA C 95 57.078 55.211 1.867 1
1 1255 . 10 1 1 A 95 95 LYS CB C 95 29.962 32.581 -2.619 1
1 1259 . 10 1 1 A 95 95 LYS N N 95 121.317 116.877 4.440 1
1 1260 . 10 1 1 A 96 96 ALA H H 96 7.583 7.146 0.437 1
1 1261 . 10 1 1 A 96 96 ALA HA H 96 4.157 4.944 -0.787 1
1 1265 . 10 1 1 A 96 96 ALA C C 96 177.630 175.989 1.641 1
1 1266 . 10 1 1 A 96 96 ALA CA C 96 53.298 50.809 2.489 1
1 1267 . 10 1 1 A 96 96 ALA CB C 96 18.807 22.046 -3.239 1
1 1268 . 10 1 1 A 96 96 ALA N N 96 121.832 123.756 -1.924 1
1 1269 . 10 1 1 A 97 97 GLU H H 97 9.243 8.471 0.772 1
1 1270 . 10 1 1 A 97 97 GLU HA H 97 4.347 4.808 -0.461 1
1 1275 . 10 1 1 A 97 97 GLU C C 97 175.890 175.076 0.814 1
1 1276 . 10 1 1 A 97 97 GLU CA C 97 55.198 55.120 0.078 1
1 1277 . 10 1 1 A 97 97 GLU CB C 97 30.931 33.759 -2.828 1
1 1279 . 10 1 1 A 97 97 GLU N N 97 121.989 121.006 0.983 1
1 1280 . 10 1 1 A 98 98 LEU H H 98 8.401 8.911 -0.510 1
1 1281 . 10 1 1 A 98 98 LEU HA H 98 4.277 4.652 -0.375 1
1 1291 . 10 1 1 A 98 98 LEU C C 98 175.738 176.477 -0.739 1
1 1292 . 10 1 1 A 98 98 LEU CA C 98 54.337 53.981 0.356 1
1 1293 . 10 1 1 A 98 98 LEU CB C 98 41.634 41.835 -0.201 1
1 1297 . 10 1 1 A 98 98 LEU N N 98 123.414 126.529 -3.115 1
1 1298 . 10 1 1 A 99 99 HIS H H 99 8.749 7.827 0.922 1
1 1299 . 10 1 1 A 99 99 HIS HA H 99 4.706 4.738 -0.032 1
1 1304 . 10 1 1 A 99 99 HIS C C 99 173.912 174.520 -0.608 1
1 1305 . 10 1 1 A 99 99 HIS CA C 99 55.183 55.452 -0.269 1
1 1306 . 10 1 1 A 99 99 HIS CB C 99 29.916 28.642 1.274 1
1 1309 . 10 1 1 A 99 99 HIS N N 99 121.129 119.402 1.727 1
1 1312 . 10 1 1 A 100 100 ALA H H 100 8.369 8.527 -0.158 1
1 1313 . 10 1 1 A 100 100 ALA HA H 100 4.518 4.410 0.108 1
1 1317 . 10 1 1 A 100 100 ALA C C 100 177.533 178.149 -0.616 1
1 1318 . 10 1 1 A 100 100 ALA CA C 100 51.753 52.424 -0.671 1
1 1319 . 10 1 1 A 100 100 ALA CB C 100 20.081 19.165 0.916 1
1 1320 . 10 1 1 A 100 100 ALA N N 100 125.646 128.875 -3.229 1
1 1321 . 10 1 1 A 101 101 SER H H 101 8.357 8.861 -0.504 1
1 1322 . 10 1 1 A 101 101 SER HA H 101 4.452 4.666 -0.214 1
1 1325 . 10 1 1 A 101 101 SER C C 101 174.729 174.447 0.282 1
1 1326 . 10 1 1 A 101 101 SER CA C 101 58.781 58.109 0.672 1
1 1327 . 10 1 1 A 101 101 SER CB C 101 63.865 63.331 0.534 1
1 1328 . 10 1 1 A 101 101 SER N N 101 115.505 120.935 -5.430 1
1 1329 . 10 1 1 A 102 102 VAL H H 102 7.884 7.745 0.139 1
1 1330 . 10 1 1 A 102 102 VAL HA H 102 4.111 3.916 0.195 1
1 1338 . 10 1 1 A 102 102 VAL C C 102 175.837 176.179 -0.342 1
1 1339 . 10 1 1 A 102 102 VAL CA C 102 62.237 65.312 -3.075 1
1 1340 . 10 1 1 A 102 102 VAL CB C 102 32.336 32.200 0.136 1
1 1343 . 10 1 1 A 102 102 VAL N N 102 120.880 119.835 1.045 1
1 1344 . 10 1 1 A 103 103 LEU H H 103 8.170 7.697 0.473 1
1 1345 . 10 1 1 A 103 103 LEU HA H 103 4.299 4.865 -0.566 1
1 1355 . 10 1 1 A 103 103 LEU C C 103 177.129 175.512 1.617 1
1 1356 . 10 1 1 A 103 103 LEU CA C 103 54.999 53.300 1.699 1
1 1357 . 10 1 1 A 103 103 LEU CB C 103 42.276 44.476 -2.200 1
1 1361 . 10 1 1 A 103 103 LEU N N 103 124.757 118.081 6.676 1
1 1362 . 10 1 1 A 104 104 GLU H H 104 8.244 8.701 -0.457 1
1 1363 . 10 1 1 A 104 104 GLU HA H 104 4.175 4.551 -0.376 1
1 1368 . 10 1 1 A 104 104 GLU C C 104 176.153 177.173 -1.020 1
1 1369 . 10 1 1 A 104 104 GLU CA C 104 56.413 55.992 0.421 1
1 1370 . 10 1 1 A 104 104 GLU CB C 104 30.270 30.743 -0.473 1
1 1372 . 10 1 1 A 104 104 GLU N N 104 121.146 123.553 -2.407 1
1 1373 . 10 1 1 A 105 105 HIS H H 105 8.242 8.656 -0.414 1
1 1376 . 10 1 1 A 105 105 HIS C C 105 174.967 174.839 0.128 1
1 1377 . 10 1 1 A 105 105 HIS CA C 105 56.137 57.813 -1.676 1
1 1378 . 10 1 1 A 105 105 HIS CB C 105 30.290 31.008 -0.718 1
1 13 . 11 1 1 A 2 2 ILE HA H 2 4.615 4.491 0.124 1
1 23 . 11 1 1 A 2 2 ILE C C 2 175.630 175.700 -0.070 1
1 24 . 11 1 1 A 2 2 ILE CA C 2 60.619 61.527 -0.908 1
1 25 . 11 1 1 A 2 2 ILE CB C 2 40.542 39.316 1.226 1
1 29 . 11 1 1 A 3 3 THR H H 3 9.133 8.581 0.552 1
1 30 . 11 1 1 A 3 3 THR HA H 3 4.656 4.767 -0.111 1
1 36 . 11 1 1 A 3 3 THR C C 3 174.729 175.519 -0.790 1
1 37 . 11 1 1 A 3 3 THR CA C 3 61.509 61.186 0.323 1
1 38 . 11 1 1 A 3 3 THR CB C 3 69.896 70.828 -0.932 1
1 40 . 11 1 1 A 3 3 THR N N 3 119.091 117.997 1.094 1
1 41 . 11 1 1 A 4 4 PHE H H 4 8.642 9.690 -1.048 1
1 42 . 11 1 1 A 4 4 PHE HA H 4 4.576 4.056 0.520 1
1 50 . 11 1 1 A 4 4 PHE C C 4 176.302 177.391 -1.089 1
1 51 . 11 1 1 A 4 4 PHE CA C 4 58.368 62.758 -4.390 1
1 52 . 11 1 1 A 4 4 PHE CB C 4 37.526 39.679 -2.153 1
1 56 . 11 1 1 A 4 4 PHE N N 4 122.510 122.800 -0.290 1
1 57 . 11 1 1 A 5 5 ALA H H 5 9.195 8.362 0.833 1
1 58 . 11 1 1 A 5 5 ALA HA H 5 3.692 4.021 -0.329 1
1 62 . 11 1 1 A 5 5 ALA C C 5 178.210 180.123 -1.913 1
1 63 . 11 1 1 A 5 5 ALA CA C 5 56.073 55.356 0.717 1
1 64 . 11 1 1 A 5 5 ALA CB C 5 17.897 18.165 -0.268 1
1 65 . 11 1 1 A 5 5 ALA N N 5 120.106 121.606 -1.500 1
1 66 . 11 1 1 A 6 6 ASP H H 6 7.978 8.436 -0.458 1
1 67 . 11 1 1 A 6 6 ASP HA H 6 4.615 4.445 0.170 1
1 70 . 11 1 1 A 6 6 ASP C C 6 179.370 178.676 0.694 1
1 71 . 11 1 1 A 6 6 ASP CA C 6 57.369 57.394 -0.025 1
1 72 . 11 1 1 A 6 6 ASP CB C 6 39.556 40.708 -1.152 1
1 73 . 11 1 1 A 6 6 ASP N N 6 115.486 118.426 -2.940 1
1 74 . 11 1 1 A 7 7 TYR H H 7 8.776 8.490 0.286 1
1 75 . 11 1 1 A 7 7 TYR HA H 7 3.984 4.369 -0.385 1
1 82 . 11 1 1 A 7 7 TYR C C 7 176.232 177.473 -1.241 1
1 83 . 11 1 1 A 7 7 TYR CA C 7 62.241 61.554 0.687 1
1 84 . 11 1 1 A 7 7 TYR CB C 7 38.521 38.461 0.060 1
1 87 . 11 1 1 A 7 7 TYR N N 7 120.885 122.410 -1.525 1
1 88 . 11 1 1 A 8 8 PHE H H 8 9.024 8.473 0.551 1
1 89 . 11 1 1 A 8 8 PHE HA H 8 3.732 4.299 -0.567 1
1 97 . 11 1 1 A 8 8 PHE C C 8 176.261 176.900 -0.639 1
1 98 . 11 1 1 A 8 8 PHE CA C 8 62.936 61.988 0.948 1
1 99 . 11 1 1 A 8 8 PHE CB C 8 39.553 39.013 0.540 1
1 103 . 11 1 1 A 8 8 PHE N N 8 118.754 120.752 -1.998 1
1 104 . 11 1 1 A 9 9 TYR H H 9 8.202 8.119 0.083 1
1 105 . 11 1 1 A 9 9 TYR HA H 9 3.742 4.067 -0.325 1
1 112 . 11 1 1 A 9 9 TYR C C 9 176.496 177.389 -0.893 1
1 113 . 11 1 1 A 9 9 TYR CA C 9 62.939 61.356 1.583 1
1 114 . 11 1 1 A 9 9 TYR CB C 9 37.941 37.927 0.014 1
1 117 . 11 1 1 A 9 9 TYR N N 9 117.271 120.107 -2.836 1
1 118 . 11 1 1 A 10 10 GLN H H 10 8.029 8.272 -0.243 1
1 119 . 11 1 1 A 10 10 GLN HA H 10 3.928 3.965 -0.037 1
1 126 . 11 1 1 A 10 10 GLN C C 10 177.393 177.730 -0.337 1
1 127 . 11 1 1 A 10 10 GLN CA C 10 58.717 58.586 0.131 1
1 128 . 11 1 1 A 10 10 GLN CB C 10 28.482 28.494 -0.012 1
1 130 . 11 1 1 A 10 10 GLN N N 10 117.935 117.794 0.141 1
1 132 . 11 1 1 A 11 11 TRP H H 11 8.772 8.237 0.535 1
1 133 . 11 1 1 A 11 11 TRP HA H 11 3.690 4.103 -0.413 1
1 142 . 11 1 1 A 11 11 TRP C C 11 178.487 177.544 0.943 1
1 143 . 11 1 1 A 11 11 TRP CA C 11 61.256 60.631 0.625 1
1 144 . 11 1 1 A 11 11 TRP CB C 11 27.472 29.156 -1.684 1
1 150 . 11 1 1 A 11 11 TRP N N 11 121.577 121.810 -0.233 1
1 152 . 11 1 1 A 12 12 TYR H H 12 8.168 7.958 0.210 1
1 153 . 11 1 1 A 12 12 TYR HA H 12 2.938 3.343 -0.405 1
1 160 . 11 1 1 A 12 12 TYR C C 12 177.277 176.809 0.468 1
1 161 . 11 1 1 A 12 12 TYR CA C 12 59.178 60.806 -1.628 1
1 162 . 11 1 1 A 12 12 TYR CB C 12 36.729 37.979 -1.250 1
1 165 . 11 1 1 A 12 12 TYR N N 12 121.811 121.219 0.592 1
1 166 . 11 1 1 A 13 13 GLU H H 13 8.434 8.385 0.049 1
1 167 . 11 1 1 A 13 13 GLU HA H 13 2.996 3.280 -0.284 1
1 172 . 11 1 1 A 13 13 GLU C C 13 177.157 179.121 -1.964 1
1 173 . 11 1 1 A 13 13 GLU CA C 13 59.164 58.975 0.189 1
1 174 . 11 1 1 A 13 13 GLU CB C 13 29.447 29.120 0.327 1
1 176 . 11 1 1 A 13 13 GLU N N 13 123.599 118.981 4.618 1
1 177 . 11 1 1 A 14 14 VAL H H 14 7.605 7.837 -0.232 1
1 178 . 11 1 1 A 14 14 VAL HA H 14 3.562 3.513 0.049 1
1 186 . 11 1 1 A 14 14 VAL C C 14 177.289 176.749 0.540 1
1 187 . 11 1 1 A 14 14 VAL CA C 14 64.338 65.839 -1.501 1
1 188 . 11 1 1 A 14 14 VAL CB C 14 32.669 31.451 1.218 1
1 191 . 11 1 1 A 14 14 VAL N N 14 113.566 119.189 -5.623 1
1 192 . 11 1 1 A 15 15 ASN H H 15 7.482 7.327 0.155 1
1 193 . 11 1 1 A 15 15 ASN HA H 15 4.429 4.652 -0.223 1
1 198 . 11 1 1 A 15 15 ASN C C 15 175.201 176.567 -1.366 1
1 199 . 11 1 1 A 15 15 ASN CA C 15 55.218 53.945 1.273 1
1 200 . 11 1 1 A 15 15 ASN CB C 15 39.927 39.401 0.526 1
1 201 . 11 1 1 A 15 15 ASN N N 15 112.195 117.007 -4.812 1
1 203 . 11 1 1 A 16 16 LYS H H 16 7.413 7.703 -0.290 1
1 204 . 11 1 1 A 16 16 LYS HA H 16 4.338 3.984 0.354 1
1 213 . 11 1 1 A 16 16 LYS C C 16 175.309 178.447 -3.138 1
1 214 . 11 1 1 A 16 16 LYS CA C 16 54.807 58.220 -3.413 1
1 215 . 11 1 1 A 16 16 LYS CB C 16 32.665 32.394 0.271 1
1 219 . 11 1 1 A 16 16 LYS N N 16 115.814 118.076 -2.262 1
1 220 . 11 1 1 A 17 17 LEU H H 17 7.490 7.526 -0.036 1
1 221 . 11 1 1 A 17 17 LEU HA H 17 3.603 3.198 0.405 1
1 231 . 11 1 1 A 17 17 LEU C C 17 173.754 176.161 -2.407 1
1 232 . 11 1 1 A 17 17 LEU CA C 17 59.847 59.314 0.533 1
1 233 . 11 1 1 A 17 17 LEU CB C 17 39.552 39.761 -0.209 1
1 237 . 11 1 1 A 17 17 LEU N N 17 121.586 121.504 0.082 1
1 238 . 11 1 1 A 18 18 PRO HA H 18 4.107 4.246 -0.139 1
1 245 . 11 1 1 A 18 18 PRO C C 18 176.412 176.028 0.384 1
1 246 . 11 1 1 A 18 18 PRO CA C 18 64.656 63.702 0.954 1
1 247 . 11 1 1 A 18 18 PRO CB C 18 30.980 32.127 -1.147 1
1 250 . 11 1 1 A 19 19 HIS H H 19 7.631 7.747 -0.116 1
1 251 . 11 1 1 A 19 19 HIS HA H 19 4.857 4.751 0.106 1
1 256 . 11 1 1 A 19 19 HIS C C 19 175.822 175.071 0.751 1
1 257 . 11 1 1 A 19 19 HIS CA C 19 55.004 55.378 -0.374 1
1 258 . 11 1 1 A 19 19 HIS CB C 19 32.358 31.390 0.968 1
1 260 . 11 1 1 A 19 19 HIS N N 19 111.190 116.445 -5.255 1
1 263 . 11 1 1 A 20 20 VAL H H 20 7.124 7.250 -0.126 1
1 264 . 11 1 1 A 20 20 VAL HA H 20 4.728 4.855 -0.127 1
1 272 . 11 1 1 A 20 20 VAL C C 20 175.497 175.065 0.432 1
1 273 . 11 1 1 A 20 20 VAL CA C 20 60.134 58.985 1.149 1
1 274 . 11 1 1 A 20 20 VAL CB C 20 34.199 35.106 -0.907 1
1 277 . 11 1 1 A 20 20 VAL N N 20 112.191 114.883 -2.692 1
1 278 . 11 1 1 A 21 21 SER H H 21 8.589 8.990 -0.401 1
1 279 . 11 1 1 A 21 21 SER HA H 21 4.531 4.698 -0.167 1
1 282 . 11 1 1 A 21 21 SER C C 21 174.840 175.773 -0.933 1
1 283 . 11 1 1 A 21 21 SER CA C 21 57.236 57.542 -0.306 1
1 284 . 11 1 1 A 21 21 SER CB C 21 65.251 64.805 0.446 1
1 285 . 11 1 1 A 21 21 SER N N 21 116.825 119.692 -2.867 1
1 286 . 11 1 1 A 22 22 GLU H H 22 8.964 8.885 0.079 1
1 287 . 11 1 1 A 22 22 GLU HA H 22 3.922 4.098 -0.176 1
1 292 . 11 1 1 A 22 22 GLU C C 22 178.606 178.864 -0.258 1
1 293 . 11 1 1 A 22 22 GLU CA C 22 59.837 59.981 -0.144 1
1 294 . 11 1 1 A 22 22 GLU CB C 22 29.239 29.102 0.137 1
1 296 . 11 1 1 A 22 22 GLU N N 22 120.863 123.810 -2.947 1
1 297 . 11 1 1 A 23 23 SER H H 23 8.426 8.092 0.334 1
1 298 . 11 1 1 A 23 23 SER HA H 23 4.151 4.196 -0.045 1
1 301 . 11 1 1 A 23 23 SER C C 23 176.977 176.620 0.357 1
1 302 . 11 1 1 A 23 23 SER CA C 23 61.220 62.219 -0.999 1
1 303 . 11 1 1 A 23 23 SER CB C 23 62.252 63.050 -0.798 1
1 304 . 11 1 1 A 23 23 SER N N 23 112.196 117.415 -5.219 1
1 305 . 11 1 1 A 24 24 THR H H 24 7.749 7.762 -0.013 1
1 306 . 11 1 1 A 24 24 THR HA H 24 4.163 4.300 -0.137 1
1 311 . 11 1 1 A 24 24 THR C C 24 176.523 177.208 -0.685 1
1 312 . 11 1 1 A 24 24 THR CA C 24 66.045 66.467 -0.422 1
1 313 . 11 1 1 A 24 24 THR CB C 24 68.305 68.709 -0.404 1
1 315 . 11 1 1 A 24 24 THR N N 24 120.348 117.416 2.932 1
1 316 . 11 1 1 A 25 25 LYS H H 25 8.605 8.210 0.395 1
1 317 . 11 1 1 A 25 25 LYS HA H 25 4.064 4.139 -0.075 1
1 326 . 11 1 1 A 25 25 LYS C C 25 178.447 179.982 -1.535 1
1 327 . 11 1 1 A 25 25 LYS CA C 25 61.087 60.050 1.037 1
1 328 . 11 1 1 A 25 25 LYS CB C 25 32.717 32.158 0.559 1
1 332 . 11 1 1 A 25 25 LYS N N 25 123.593 120.296 3.297 1
1 333 . 11 1 1 A 26 26 ARG H H 26 7.485 8.563 -1.078 1
1 334 . 11 1 1 A 26 26 ARG HA H 26 4.146 4.099 0.047 1
1 341 . 11 1 1 A 26 26 ARG C C 26 179.845 179.440 0.405 1
1 342 . 11 1 1 A 26 26 ARG CA C 26 58.916 59.643 -0.727 1
1 343 . 11 1 1 A 26 26 ARG CB C 26 30.384 29.896 0.488 1
1 346 . 11 1 1 A 26 26 ARG N N 26 114.116 119.905 -5.789 1
1 347 . 11 1 1 A 27 27 HIS H H 27 7.677 7.846 -0.169 1
1 348 . 11 1 1 A 27 27 HIS HA H 27 4.757 4.410 0.347 1
1 353 . 11 1 1 A 27 27 HIS C C 27 179.743 177.234 2.509 1
1 354 . 11 1 1 A 27 27 HIS CA C 27 58.659 59.624 -0.965 1
1 355 . 11 1 1 A 27 27 HIS CB C 27 30.967 29.987 0.980 1
1 358 . 11 1 1 A 27 27 HIS N N 27 119.389 119.212 0.177 1
1 361 . 11 1 1 A 28 28 TYR H H 28 8.119 7.926 0.193 1
1 362 . 11 1 1 A 28 28 TYR HA H 28 4.009 4.078 -0.069 1
1 369 . 11 1 1 A 28 28 TYR C C 28 178.685 178.658 0.027 1
1 370 . 11 1 1 A 28 28 TYR CA C 28 63.311 61.843 1.468 1
1 371 . 11 1 1 A 28 28 TYR CB C 28 38.879 37.336 1.543 1
1 374 . 11 1 1 A 28 28 TYR N N 28 121.786 117.333 4.453 1
1 375 . 11 1 1 A 29 29 GLU H H 29 8.631 9.156 -0.525 1
1 376 . 11 1 1 A 29 29 GLU HA H 29 4.067 4.208 -0.141 1
1 381 . 11 1 1 A 29 29 GLU C C 29 179.950 179.416 0.534 1
1 382 . 11 1 1 A 29 29 GLU CA C 29 59.827 60.137 -0.310 1
1 383 . 11 1 1 A 29 29 GLU CB C 29 29.172 29.533 -0.361 1
1 385 . 11 1 1 A 29 29 GLU N N 29 119.090 119.985 -0.895 1
1 386 . 11 1 1 A 30 30 SER H H 30 8.307 7.860 0.447 1
1 387 . 11 1 1 A 30 30 SER HA H 30 4.467 4.309 0.158 1
1 390 . 11 1 1 A 30 30 SER C C 30 177.445 177.538 -0.093 1
1 391 . 11 1 1 A 30 30 SER CA C 30 61.068 61.807 -0.739 1
1 392 . 11 1 1 A 30 30 SER CB C 30 63.054 63.021 0.033 1
1 393 . 11 1 1 A 30 30 SER N N 30 115.027 116.173 -1.146 1
1 394 . 11 1 1 A 31 31 ALA H H 31 8.319 8.169 0.150 1
1 395 . 11 1 1 A 31 31 ALA HA H 31 4.070 4.253 -0.183 1
1 399 . 11 1 1 A 31 31 ALA C C 31 178.488 179.540 -1.052 1
1 400 . 11 1 1 A 31 31 ALA CA C 31 55.926 55.011 0.915 1
1 401 . 11 1 1 A 31 31 ALA CB C 31 18.510 18.617 -0.107 1
1 402 . 11 1 1 A 31 31 ALA N N 31 124.966 123.527 1.439 1
1 403 . 11 1 1 A 32 32 TYR H H 32 8.537 8.923 -0.386 1
1 404 . 11 1 1 A 32 32 TYR HA H 32 4.114 4.305 -0.191 1
1 411 . 11 1 1 A 32 32 TYR C C 32 175.705 177.906 -2.201 1
1 412 . 11 1 1 A 32 32 TYR CA C 32 60.480 62.081 -1.601 1
1 413 . 11 1 1 A 32 32 TYR CB C 32 37.864 39.429 -1.565 1
1 416 . 11 1 1 A 32 32 TYR N N 32 116.814 120.059 -3.245 1
1 417 . 11 1 1 A 33 33 LYS H H 33 7.988 8.537 -0.549 1
1 418 . 11 1 1 A 33 33 LYS HA H 33 3.513 3.866 -0.353 1
1 427 . 11 1 1 A 33 33 LYS C C 33 178.474 178.929 -0.455 1
1 428 . 11 1 1 A 33 33 LYS CA C 33 59.810 59.052 0.758 1
1 429 . 11 1 1 A 33 33 LYS CB C 33 32.000 32.024 -0.024 1
1 433 . 11 1 1 A 33 33 LYS N N 33 119.358 118.437 0.921 1
1 434 . 11 1 1 A 34 34 HIS H H 34 8.187 7.623 0.564 1
1 435 . 11 1 1 A 34 34 HIS HA H 34 4.449 4.652 -0.203 1
1 440 . 11 1 1 A 34 34 HIS C C 34 178.948 178.014 0.934 1
1 441 . 11 1 1 A 34 34 HIS CA C 34 60.883 60.282 0.601 1
1 442 . 11 1 1 A 34 34 HIS CB C 34 28.843 31.041 -2.198 1
1 445 . 11 1 1 A 34 34 HIS N N 34 116.156 118.923 -2.767 1
1 448 . 11 1 1 A 35 35 ILE H H 35 8.676 8.587 0.089 1
1 449 . 11 1 1 A 35 35 ILE HA H 35 3.513 3.522 -0.009 1
1 459 . 11 1 1 A 35 35 ILE C C 35 177.630 178.411 -0.781 1
1 460 . 11 1 1 A 35 35 ILE CA C 35 65.690 65.327 0.363 1
1 461 . 11 1 1 A 35 35 ILE CB C 35 38.481 37.701 0.780 1
1 465 . 11 1 1 A 35 35 ILE N N 35 121.824 120.334 1.490 1
1 466 . 11 1 1 A 36 36 LYS H H 36 8.797 8.669 0.128 1
1 467 . 11 1 1 A 36 36 LYS HA H 36 3.712 3.946 -0.234 1
1 476 . 11 1 1 A 36 36 LYS C C 36 179.397 177.798 1.599 1
1 477 . 11 1 1 A 36 36 LYS CA C 36 59.860 58.817 1.043 1
1 478 . 11 1 1 A 36 36 LYS CB C 36 31.878 31.814 0.064 1
1 482 . 11 1 1 A 36 36 LYS N N 36 121.589 120.853 0.736 1
1 483 . 11 1 1 A 37 37 ASP H H 37 8.246 7.863 0.383 1
1 484 . 11 1 1 A 37 37 ASP HA H 37 4.336 4.317 0.019 1
1 487 . 11 1 1 A 37 37 ASP C C 37 177.234 178.089 -0.855 1
1 488 . 11 1 1 A 37 37 ASP CA C 37 56.932 57.196 -0.264 1
1 489 . 11 1 1 A 37 37 ASP CB C 37 40.576 41.333 -0.757 1
1 490 . 11 1 1 A 37 37 ASP N N 37 118.225 119.297 -1.072 1
1 491 . 11 1 1 A 38 38 HIS H H 38 7.867 7.945 -0.078 1
1 492 . 11 1 1 A 38 38 HIS HA H 38 4.284 4.345 -0.061 1
1 496 . 11 1 1 A 38 38 HIS C C 38 176.839 175.014 1.825 1
1 497 . 11 1 1 A 38 38 HIS CA C 38 59.389 58.715 0.674 1
1 498 . 11 1 1 A 38 38 HIS CB C 38 31.630 31.183 0.447 1
1 500 . 11 1 1 A 38 38 HIS N N 38 115.487 115.655 -0.168 1
1 501 . 11 1 1 A 39 39 PHE H H 39 9.082 8.651 0.431 1
1 502 . 11 1 1 A 39 39 PHE HA H 39 4.369 4.922 -0.553 1
1 510 . 11 1 1 A 39 39 PHE C C 39 175.890 175.641 0.249 1
1 511 . 11 1 1 A 39 39 PHE CA C 39 60.159 56.181 3.978 1
1 512 . 11 1 1 A 39 39 PHE CB C 39 38.850 38.891 -0.041 1
1 516 . 11 1 1 A 39 39 PHE N N 39 114.327 115.906 -1.579 1
1 517 . 11 1 1 A 40 40 ARG H H 40 8.104 8.639 -0.535 1
1 518 . 11 1 1 A 40 40 ARG HA H 40 3.921 4.402 -0.481 1
1 525 . 11 1 1 A 40 40 ARG C C 40 176.892 177.564 -0.672 1
1 526 . 11 1 1 A 40 40 ARG CA C 40 58.009 57.456 0.553 1
1 527 . 11 1 1 A 40 40 ARG CB C 40 27.531 31.097 -3.566 1
1 530 . 11 1 1 A 40 40 ARG N N 40 118.379 124.939 -6.560 1
1 531 . 11 1 1 A 41 41 HIS H H 41 8.589 8.075 0.514 1
1 532 . 11 1 1 A 41 41 HIS HA H 41 4.910 4.933 -0.023 1
1 536 . 11 1 1 A 41 41 HIS C C 41 174.835 175.001 -0.166 1
1 537 . 11 1 1 A 41 41 HIS CA C 41 55.473 55.472 0.001 1
1 538 . 11 1 1 A 41 41 HIS CB C 41 29.720 30.679 -0.959 1
1 540 . 11 1 1 A 41 41 HIS N N 41 123.828 112.166 11.662 1
1 541 . 11 1 1 A 42 42 LYS H H 42 8.326 7.716 0.610 1
1 542 . 11 1 1 A 42 42 LYS HA H 42 4.181 4.394 -0.213 1
1 551 . 11 1 1 A 42 42 LYS C C 42 177.973 176.855 1.118 1
1 552 . 11 1 1 A 42 42 LYS CA C 42 58.201 56.610 1.591 1
1 553 . 11 1 1 A 42 42 LYS CB C 42 33.047 33.399 -0.352 1
1 557 . 11 1 1 A 42 42 LYS N N 42 121.129 121.871 -0.742 1
1 558 . 11 1 1 A 43 43 LEU H H 43 9.243 8.601 0.642 1
1 559 . 11 1 1 A 43 43 LEU HA H 43 4.346 4.551 -0.205 1
1 569 . 11 1 1 A 43 43 LEU C C 43 177.840 178.115 -0.275 1
1 570 . 11 1 1 A 43 43 LEU CA C 43 55.420 54.548 0.872 1
1 571 . 11 1 1 A 43 43 LEU CB C 43 40.936 42.286 -1.350 1
1 575 . 11 1 1 A 43 43 LEU N N 43 124.529 127.299 -2.770 1
1 576 . 11 1 1 A 44 44 LEU H H 44 8.404 8.803 -0.399 1
1 577 . 11 1 1 A 44 44 LEU HA H 44 3.681 4.032 -0.351 1
1 587 . 11 1 1 A 44 44 LEU C C 44 177.962 178.530 -0.568 1
1 588 . 11 1 1 A 44 44 LEU CA C 44 58.773 58.759 0.014 1
1 589 . 11 1 1 A 44 44 LEU CB C 44 42.661 41.268 1.393 1
1 593 . 11 1 1 A 44 44 LEU N N 44 123.643 126.295 -2.652 1
1 594 . 11 1 1 A 45 45 LYS HA H 45 4.126 4.111 0.015 1
1 603 . 11 1 1 A 45 45 LYS C C 45 175.533 176.460 -0.927 1
1 604 . 11 1 1 A 45 45 LYS CA C 45 57.405 58.340 -0.935 1
1 605 . 11 1 1 A 45 45 LYS CB C 45 31.650 31.215 0.435 1
1 609 . 11 1 1 A 46 46 ASP H H 46 7.520 7.685 -0.165 1
1 610 . 11 1 1 A 46 46 ASP HA H 46 4.888 4.746 0.142 1
1 613 . 11 1 1 A 46 46 ASP C C 46 175.811 175.671 0.140 1
1 614 . 11 1 1 A 46 46 ASP CA C 46 54.268 53.824 0.444 1
1 615 . 11 1 1 A 46 46 ASP CB C 46 42.178 40.827 1.351 1
1 616 . 11 1 1 A 46 46 ASP N N 46 118.587 118.724 -0.137 1
1 617 . 11 1 1 A 47 47 ILE H H 47 6.965 7.150 -0.185 1
1 618 . 11 1 1 A 47 47 ILE HA H 47 4.048 3.856 0.192 1
1 628 . 11 1 1 A 47 47 ILE C C 47 175.362 174.904 0.458 1
1 629 . 11 1 1 A 47 47 ILE CA C 47 59.826 60.717 -0.891 1
1 630 . 11 1 1 A 47 47 ILE CB C 47 34.389 37.383 -2.994 1
1 634 . 11 1 1 A 47 47 ILE N N 47 119.126 120.997 -1.871 1
1 635 . 11 1 1 A 48 48 LYS H H 48 8.489 8.750 -0.261 1
1 636 . 11 1 1 A 48 48 LYS HA H 48 4.635 4.235 0.400 1
1 645 . 11 1 1 A 48 48 LYS C C 48 177.252 178.283 -1.031 1
1 646 . 11 1 1 A 48 48 LYS CA C 48 54.357 56.428 -2.071 1
1 647 . 11 1 1 A 48 48 LYS CB C 48 34.753 32.653 2.100 1
1 651 . 11 1 1 A 48 48 LYS N N 48 127.892 128.110 -0.218 1
1 652 . 11 1 1 A 49 49 ARG H H 49 8.816 8.668 0.148 1
1 653 . 11 1 1 A 49 49 ARG HA H 49 4.314 4.114 0.200 1
1 660 . 11 1 1 A 49 49 ARG C C 49 178.464 177.921 0.543 1
1 661 . 11 1 1 A 49 49 ARG CA C 49 60.341 58.746 1.595 1
1 662 . 11 1 1 A 49 49 ARG CB C 49 30.197 29.837 0.360 1
1 665 . 11 1 1 A 49 49 ARG N N 49 122.736 124.788 -2.052 1
1 666 . 11 1 1 A 50 50 THR H H 50 8.269 8.099 0.170 1
1 667 . 11 1 1 A 50 50 THR HA H 50 4.079 4.031 0.048 1
1 672 . 11 1 1 A 50 50 THR C C 50 177.316 177.364 -0.048 1
1 673 . 11 1 1 A 50 50 THR CA C 50 65.501 65.804 -0.303 1
1 674 . 11 1 1 A 50 50 THR CB C 50 67.951 68.289 -0.338 1
1 676 . 11 1 1 A 50 50 THR N N 50 110.696 111.842 -1.146 1
1 677 . 11 1 1 A 51 51 GLU H H 51 7.260 8.143 -0.883 1
1 678 . 11 1 1 A 51 51 GLU HA H 51 4.239 4.178 0.061 1
1 683 . 11 1 1 A 51 51 GLU C C 51 179.621 178.803 0.818 1
1 684 . 11 1 1 A 51 51 GLU CA C 51 58.921 59.799 -0.878 1
1 685 . 11 1 1 A 51 51 GLU CB C 51 29.916 29.569 0.347 1
1 687 . 11 1 1 A 51 51 GLU N N 51 121.344 122.170 -0.826 1
1 688 . 11 1 1 A 52 52 TYR H H 52 8.678 8.694 -0.016 1
1 689 . 11 1 1 A 52 52 TYR HA H 52 4.376 4.362 0.014 1
1 697 . 11 1 1 A 52 52 TYR C C 52 176.120 177.693 -1.573 1
1 698 . 11 1 1 A 52 52 TYR CA C 52 62.660 61.822 0.838 1
1 699 . 11 1 1 A 52 52 TYR CB C 52 38.206 38.295 -0.089 1
1 702 . 11 1 1 A 52 52 TYR N N 52 122.483 122.005 0.478 1
1 703 . 11 1 1 A 53 53 GLN H H 53 8.801 7.965 0.836 1
1 704 . 11 1 1 A 53 53 GLN HA H 53 3.721 3.919 -0.198 1
1 711 . 11 1 1 A 53 53 GLN C C 53 177.894 178.625 -0.731 1
1 712 . 11 1 1 A 53 53 GLN CA C 53 58.111 58.914 -0.803 1
1 713 . 11 1 1 A 53 53 GLN CB C 53 28.909 28.262 0.647 1
1 715 . 11 1 1 A 53 53 GLN N N 53 118.817 118.198 0.619 1
1 717 . 11 1 1 A 54 54 LYS H H 54 7.685 7.397 0.288 1
1 718 . 11 1 1 A 54 54 LYS HA H 54 4.051 4.059 -0.008 1
1 727 . 11 1 1 A 54 54 LYS C C 54 178.918 179.016 -0.098 1
1 728 . 11 1 1 A 54 54 LYS CA C 54 59.845 59.186 0.659 1
1 729 . 11 1 1 A 54 54 LYS CB C 54 32.339 32.223 0.116 1
1 733 . 11 1 1 A 54 54 LYS N N 54 118.629 119.028 -0.399 1
1 734 . 11 1 1 A 55 55 PHE H H 55 7.533 8.167 -0.634 1
1 735 . 11 1 1 A 55 55 PHE HA H 55 3.660 3.884 -0.224 1
1 743 . 11 1 1 A 55 55 PHE C C 55 176.180 176.748 -0.568 1
1 744 . 11 1 1 A 55 55 PHE CA C 55 59.494 61.200 -1.706 1
1 745 . 11 1 1 A 55 55 PHE CB C 55 38.189 39.351 -1.162 1
1 749 . 11 1 1 A 55 55 PHE N N 55 120.449 120.925 -0.476 1
1 750 . 11 1 1 A 56 56 LEU H H 56 8.019 8.014 0.005 1
1 751 . 11 1 1 A 56 56 LEU HA H 56 3.254 3.556 -0.302 1
1 761 . 11 1 1 A 56 56 LEU C C 56 179.581 179.914 -0.333 1
1 762 . 11 1 1 A 56 56 LEU CA C 56 57.366 57.588 -0.222 1
1 763 . 11 1 1 A 56 56 LEU CB C 56 41.462 41.072 0.390 1
1 767 . 11 1 1 A 56 56 LEU N N 56 120.223 119.128 1.095 1
1 768 . 11 1 1 A 57 57 ASN H H 57 8.427 8.720 -0.293 1
1 769 . 11 1 1 A 57 57 ASN HA H 57 4.324 4.403 -0.079 1
1 774 . 11 1 1 A 57 57 ASN C C 57 178.105 177.037 1.068 1
1 775 . 11 1 1 A 57 57 ASN CA C 57 55.194 55.333 -0.139 1
1 776 . 11 1 1 A 57 57 ASN CB C 57 36.948 37.199 -0.251 1
1 777 . 11 1 1 A 57 57 ASN N N 57 118.422 116.714 1.708 1
1 779 . 11 1 1 A 58 58 GLU H H 58 7.873 7.988 -0.115 1
1 780 . 11 1 1 A 58 58 GLU HA H 58 4.063 4.047 0.016 1
1 785 . 11 1 1 A 58 58 GLU C C 58 179.660 178.573 1.087 1
1 786 . 11 1 1 A 58 58 GLU CA C 58 59.064 58.691 0.373 1
1 787 . 11 1 1 A 58 58 GLU CB C 58 29.592 29.410 0.182 1
1 789 . 11 1 1 A 58 58 GLU N N 58 121.129 119.854 1.275 1
1 790 . 11 1 1 A 59 59 TYR H H 59 8.638 7.721 0.917 1
1 791 . 11 1 1 A 59 59 TYR HA H 59 3.949 3.939 0.010 1
1 798 . 11 1 1 A 59 59 TYR C C 59 179.907 178.167 1.740 1
1 799 . 11 1 1 A 59 59 TYR CA C 59 61.870 60.847 1.023 1
1 800 . 11 1 1 A 59 59 TYR CB C 59 38.156 38.147 0.009 1
1 803 . 11 1 1 A 59 59 TYR N N 59 124.461 122.099 2.362 1
1 804 . 11 1 1 A 60 60 GLY H H 60 8.925 8.544 0.381 1
1 805 . 11 1 1 A 60 60 GLY HA2 H 60 3.947 3.935 0.012 1
1 806 . 11 1 1 A 60 60 GLY HA3 H 60 4.175 3.939 0.236 1
1 807 . 11 1 1 A 60 60 GLY C C 60 173.294 174.924 -1.630 1
1 808 . 11 1 1 A 60 60 GLY CA C 60 46.424 45.894 0.530 1
1 809 . 11 1 1 A 60 60 GLY N N 60 107.578 106.135 1.443 1
1 810 . 11 1 1 A 61 61 LEU H H 61 7.448 7.747 -0.299 1
1 811 . 11 1 1 A 61 61 LEU HA H 61 4.238 4.228 0.010 1
1 821 . 11 1 1 A 61 61 LEU C C 61 179.159 178.413 0.746 1
1 822 . 11 1 1 A 61 61 LEU CA C 61 57.274 56.785 0.489 1
1 823 . 11 1 1 A 61 61 LEU CB C 61 42.304 42.213 0.091 1
1 827 . 11 1 1 A 61 61 LEU N N 61 118.202 120.859 -2.657 1
1 828 . 11 1 1 A 62 62 THR H H 62 6.974 7.472 -0.498 1
1 829 . 11 1 1 A 62 62 THR HA H 62 4.385 4.181 0.204 1
1 834 . 11 1 1 A 62 62 THR C C 62 173.170 174.450 -1.280 1
1 835 . 11 1 1 A 62 62 THR CA C 62 59.813 63.038 -3.225 1
1 836 . 11 1 1 A 62 62 THR CB C 62 69.697 69.419 0.278 1
1 838 . 11 1 1 A 62 62 THR N N 62 101.223 107.643 -6.420 1
1 839 . 11 1 1 A 63 63 HIS H H 63 7.041 8.180 -1.139 1
1 840 . 11 1 1 A 63 63 HIS HA H 63 4.861 5.086 -0.225 1
1 845 . 11 1 1 A 63 63 HIS C C 63 172.567 175.131 -2.564 1
1 846 . 11 1 1 A 63 63 HIS CA C 63 55.522 54.011 1.511 1
1 847 . 11 1 1 A 63 63 HIS CB C 63 32.328 31.735 0.593 1
1 850 . 11 1 1 A 63 63 HIS N N 63 116.818 118.800 -1.982 1
1 853 . 11 1 1 A 64 64 SER H H 64 8.717 8.633 0.084 1
1 854 . 11 1 1 A 64 64 SER HA H 64 4.582 4.550 0.032 1
1 857 . 11 1 1 A 64 64 SER C C 64 174.545 174.908 -0.363 1
1 858 . 11 1 1 A 64 64 SER CA C 64 57.169 57.068 0.101 1
1 859 . 11 1 1 A 64 64 SER CB C 64 65.484 64.978 0.506 1
1 860 . 11 1 1 A 64 64 SER N N 64 116.128 116.655 -0.527 1
1 861 . 11 1 1 A 65 65 TYR H H 65 9.054 9.140 -0.086 1
1 862 . 11 1 1 A 65 65 TYR HA H 65 4.059 4.146 -0.087 1
1 869 . 11 1 1 A 65 65 TYR C C 65 176.918 177.619 -0.701 1
1 870 . 11 1 1 A 65 65 TYR CA C 65 61.906 62.627 -0.721 1
1 871 . 11 1 1 A 65 65 TYR CB C 65 38.185 38.867 -0.682 1
1 874 . 11 1 1 A 65 65 TYR N N 65 121.679 125.953 -4.274 1
1 875 . 11 1 1 A 66 66 GLU H H 66 8.965 8.385 0.580 1
1 876 . 11 1 1 A 66 66 GLU HA H 66 3.888 3.941 -0.053 1
1 881 . 11 1 1 A 66 66 GLU C C 66 178.764 179.309 -0.545 1
1 882 . 11 1 1 A 66 66 GLU CA C 66 59.329 59.643 -0.314 1
1 883 . 11 1 1 A 66 66 GLU CB C 66 28.874 29.791 -0.917 1
1 885 . 11 1 1 A 66 66 GLU N N 66 117.723 119.349 -1.626 1
1 886 . 11 1 1 A 67 67 THR H H 67 7.626 8.050 -0.424 1
1 887 . 11 1 1 A 67 67 THR HA H 67 3.864 4.122 -0.258 1
1 892 . 11 1 1 A 67 67 THR C C 67 176.681 176.453 0.228 1
1 893 . 11 1 1 A 67 67 THR CA C 67 66.368 67.028 -0.660 1
1 894 . 11 1 1 A 67 67 THR CB C 67 68.290 68.093 0.197 1
1 896 . 11 1 1 A 67 67 THR N N 67 116.084 116.467 -0.383 1
1 897 . 11 1 1 A 68 68 ILE H H 68 8.324 8.295 0.029 1
1 898 . 11 1 1 A 68 68 ILE HA H 68 3.686 3.811 -0.125 1
1 908 . 11 1 1 A 68 68 ILE C C 68 176.527 177.477 -0.950 1
1 909 . 11 1 1 A 68 68 ILE CA C 68 65.205 62.763 2.442 1
1 910 . 11 1 1 A 68 68 ILE CB C 68 38.355 37.619 0.736 1
1 914 . 11 1 1 A 68 68 ILE N N 68 123.174 120.494 2.680 1
1 915 . 11 1 1 A 69 69 ARG H H 69 8.407 8.027 0.380 1
1 916 . 11 1 1 A 69 69 ARG HA H 69 3.673 3.633 0.040 1
1 923 . 11 1 1 A 69 69 ARG C C 69 179.687 178.581 1.106 1
1 924 . 11 1 1 A 69 69 ARG CA C 69 59.577 59.607 -0.030 1
1 925 . 11 1 1 A 69 69 ARG CB C 69 29.560 29.545 0.015 1
1 928 . 11 1 1 A 69 69 ARG N N 69 121.358 121.553 -0.195 1
1 929 . 11 1 1 A 70 70 LYS H H 70 7.562 7.406 0.156 1
1 930 . 11 1 1 A 70 70 LYS HA H 70 3.617 3.576 0.041 1
1 939 . 11 1 1 A 70 70 LYS C C 70 177.129 178.090 -0.961 1
1 940 . 11 1 1 A 70 70 LYS CA C 70 59.380 58.660 0.720 1
1 941 . 11 1 1 A 70 70 LYS CB C 70 31.978 32.158 -0.180 1
1 945 . 11 1 1 A 70 70 LYS N N 70 120.218 118.047 2.171 1
1 946 . 11 1 1 A 71 71 LEU H H 71 7.640 8.206 -0.566 1
1 947 . 11 1 1 A 71 71 LEU HA H 71 3.629 3.980 -0.351 1
1 957 . 11 1 1 A 71 71 LEU C C 71 178.157 178.367 -0.210 1
1 958 . 11 1 1 A 71 71 LEU CA C 71 58.477 58.201 0.276 1
1 959 . 11 1 1 A 71 71 LEU CB C 71 41.262 41.399 -0.137 1
1 963 . 11 1 1 A 71 71 LEU N N 71 119.991 121.683 -1.692 1
1 964 . 11 1 1 A 72 72 ASN H H 72 8.474 8.387 0.087 1
1 965 . 11 1 1 A 72 72 ASN HA H 72 4.485 4.635 -0.150 1
1 970 . 11 1 1 A 72 72 ASN C C 72 176.285 177.510 -1.225 1
1 971 . 11 1 1 A 72 72 ASN CA C 72 56.424 56.660 -0.236 1
1 972 . 11 1 1 A 72 72 ASN CB C 72 39.544 39.541 0.003 1
1 973 . 11 1 1 A 72 72 ASN N N 72 114.097 117.606 -3.509 1
1 975 . 11 1 1 A 73 73 SER H H 73 7.878 7.865 0.013 1
1 976 . 11 1 1 A 73 73 SER HA H 73 4.177 4.180 -0.003 1
1 979 . 11 1 1 A 73 73 SER C C 73 176.734 176.952 -0.218 1
1 980 . 11 1 1 A 73 73 SER CA C 73 61.741 61.191 0.550 1
1 981 . 11 1 1 A 73 73 SER CB C 73 62.573 62.916 -0.343 1
1 982 . 11 1 1 A 73 73 SER N N 73 115.022 113.950 1.072 1
1 983 . 11 1 1 A 74 74 TYR H H 74 8.078 7.767 0.311 1
1 984 . 11 1 1 A 74 74 TYR HA H 74 5.168 4.656 0.512 1
1 991 . 11 1 1 A 74 74 TYR C C 74 178.436 178.361 0.075 1
1 992 . 11 1 1 A 74 74 TYR CA C 74 58.023 61.493 -3.470 1
1 993 . 11 1 1 A 74 74 TYR CB C 74 37.835 38.675 -0.840 1
1 996 . 11 1 1 A 74 74 TYR N N 74 122.937 118.784 4.153 1
1 997 . 11 1 1 A 75 75 ILE H H 75 8.264 8.706 -0.442 1
1 998 . 11 1 1 A 75 75 ILE HA H 75 3.647 4.033 -0.386 1
1 1008 . 11 1 1 A 75 75 ILE C C 75 177.656 178.475 -0.819 1
1 1009 . 11 1 1 A 75 75 ILE CA C 75 66.349 64.903 1.446 1
1 1010 . 11 1 1 A 75 75 ILE CB C 75 37.494 37.786 -0.292 1
1 1014 . 11 1 1 A 75 75 ILE N N 75 119.080 120.462 -1.382 1
1 1015 . 11 1 1 A 76 76 ARG H H 76 9.316 8.406 0.910 1
1 1016 . 11 1 1 A 76 76 ARG HA H 76 3.896 4.055 -0.159 1
1 1024 . 11 1 1 A 76 76 ARG C C 76 179.033 178.282 0.751 1
1 1025 . 11 1 1 A 76 76 ARG CA C 76 60.536 59.406 1.130 1
1 1026 . 11 1 1 A 76 76 ARG CB C 76 30.238 29.953 0.285 1
1 1029 . 11 1 1 A 76 76 ARG N N 76 121.985 121.098 0.887 1
1 1031 . 11 1 1 A 77 77 ASN H H 77 8.003 8.261 -0.258 1
1 1032 . 11 1 1 A 77 77 ASN HA H 77 4.605 4.571 0.034 1
1 1037 . 11 1 1 A 77 77 ASN C C 77 177.146 177.173 -0.027 1
1 1038 . 11 1 1 A 77 77 ASN CA C 77 55.755 56.598 -0.843 1
1 1039 . 11 1 1 A 77 77 ASN CB C 77 38.857 38.873 -0.016 1
1 1040 . 11 1 1 A 77 77 ASN N N 77 117.750 117.892 -0.142 1
1 1042 . 11 1 1 A 78 78 ALA H H 78 8.082 7.765 0.317 1
1 1043 . 11 1 1 A 78 78 ALA HA H 78 2.351 3.022 -0.671 1
1 1047 . 11 1 1 A 78 78 ALA C C 78 181.084 179.633 1.451 1
1 1048 . 11 1 1 A 78 78 ALA CA C 78 54.703 54.291 0.412 1
1 1049 . 11 1 1 A 78 78 ALA CB C 78 16.121 17.614 -1.493 1
1 1050 . 11 1 1 A 78 78 ALA N N 78 124.770 121.567 3.203 1
1 1051 . 11 1 1 A 79 79 PHE H H 79 8.603 8.011 0.592 1
1 1052 . 11 1 1 A 79 79 PHE HA H 79 3.974 4.185 -0.211 1
1 1060 . 11 1 1 A 79 79 PHE C C 79 177.841 177.808 0.033 1
1 1061 . 11 1 1 A 79 79 PHE CA C 79 63.302 61.601 1.701 1
1 1062 . 11 1 1 A 79 79 PHE CB C 79 40.594 38.661 1.933 1
1 1066 . 11 1 1 A 79 79 PHE N N 79 116.847 115.664 1.183 1
1 1067 . 11 1 1 A 80 80 ASP H H 80 8.298 8.613 -0.315 1
1 1068 . 11 1 1 A 80 80 ASP HA H 80 4.620 4.342 0.278 1
1 1071 . 11 1 1 A 80 80 ASP C C 80 179.845 178.117 1.728 1
1 1072 . 11 1 1 A 80 80 ASP CA C 80 57.957 58.008 -0.051 1
1 1073 . 11 1 1 A 80 80 ASP CB C 80 39.595 41.640 -2.045 1
1 1074 . 11 1 1 A 80 80 ASP N N 80 121.362 120.251 1.111 1
1 1075 . 11 1 1 A 81 81 ASP H H 81 8.051 8.197 -0.146 1
1 1076 . 11 1 1 A 81 81 ASP HA H 81 4.724 4.495 0.229 1
1 1079 . 11 1 1 A 81 81 ASP C C 81 177.963 178.654 -0.691 1
1 1080 . 11 1 1 A 81 81 ASP CA C 81 57.537 57.592 -0.055 1
1 1081 . 11 1 1 A 81 81 ASP CB C 81 39.463 40.588 -1.125 1
1 1082 . 11 1 1 A 81 81 ASP N N 81 122.166 119.137 3.029 1
1 1083 . 11 1 1 A 82 82 ALA H H 82 8.025 7.566 0.459 1
1 1084 . 11 1 1 A 82 82 ALA HA H 82 4.106 4.235 -0.129 1
1 1088 . 11 1 1 A 82 82 ALA C C 82 180.223 179.828 0.395 1
1 1089 . 11 1 1 A 82 82 ALA CA C 82 55.194 55.215 -0.021 1
1 1090 . 11 1 1 A 82 82 ALA CB C 82 17.947 18.472 -0.525 1
1 1091 . 11 1 1 A 82 82 ALA N N 82 124.747 122.887 1.860 1
1 1092 . 11 1 1 A 83 83 ILE H H 83 8.327 8.751 -0.424 1
1 1093 . 11 1 1 A 83 83 ILE HA H 83 4.235 3.944 0.291 1
1 1103 . 11 1 1 A 83 83 ILE C C 83 180.768 177.822 2.946 1
1 1104 . 11 1 1 A 83 83 ILE CA C 83 63.966 63.812 0.154 1
1 1105 . 11 1 1 A 83 83 ILE CB C 83 38.254 37.742 0.512 1
1 1109 . 11 1 1 A 83 83 ILE N N 83 120.907 118.881 2.026 1
1 1110 . 11 1 1 A 84 84 HIS H H 84 7.934 8.504 -0.570 1
1 1111 . 11 1 1 A 84 84 HIS HA H 84 4.434 4.143 0.291 1
1 1116 . 11 1 1 A 84 84 HIS C C 84 178.250 176.362 1.888 1
1 1117 . 11 1 1 A 84 84 HIS CA C 84 59.042 59.876 -0.834 1
1 1118 . 11 1 1 A 84 84 HIS CB C 84 28.750 30.160 -1.410 1
1 1121 . 11 1 1 A 84 84 HIS N N 84 121.346 121.262 0.084 1
1 1124 . 11 1 1 A 85 85 GLU H H 85 8.074 7.974 0.100 1
1 1125 . 11 1 1 A 85 85 GLU HA H 85 4.192 4.257 -0.065 1
1 1130 . 11 1 1 A 85 85 GLU C C 85 176.510 177.077 -0.567 1
1 1131 . 11 1 1 A 85 85 GLU CA C 85 56.512 56.237 0.275 1
1 1132 . 11 1 1 A 85 85 GLU CB C 85 30.284 30.543 -0.259 1
1 1134 . 11 1 1 A 85 85 GLU N N 85 115.467 115.940 -0.473 1
1 1135 . 11 1 1 A 86 86 GLY H H 86 7.715 7.867 -0.152 1
1 1136 . 11 1 1 A 86 86 GLY HA2 H 86 3.844 4.008 -0.164 1
1 1137 . 11 1 1 A 86 86 GLY HA3 H 86 4.136 4.009 0.127 1
1 1138 . 11 1 1 A 86 86 GLY C C 86 175.243 174.563 0.680 1
1 1139 . 11 1 1 A 86 86 GLY CA C 86 45.108 45.647 -0.539 1
1 1140 . 11 1 1 A 86 86 GLY N N 86 105.999 108.118 -2.119 1
1 1141 . 11 1 1 A 87 87 TYR H H 87 8.173 8.153 0.020 1
1 1142 . 11 1 1 A 87 87 TYR HA H 87 4.396 4.190 0.206 1
1 1149 . 11 1 1 A 87 87 TYR CA C 87 59.317 61.065 -1.748 1
1 1150 . 11 1 1 A 87 87 TYR CB C 87 39.558 39.284 0.274 1
1 1153 . 11 1 1 A 87 87 TYR N N 87 118.412 121.457 -3.045 1
1 1154 . 11 1 1 A 88 88 VAL HA H 88 4.583 4.381 0.202 1
1 1162 . 11 1 1 A 88 88 VAL CB C 88 36.112 34.328 1.784 1
1 1165 . 11 1 1 A 89 89 ILE HA H 89 4.426 4.074 0.352 1
1 1175 . 11 1 1 A 89 89 ILE CA C 89 61.984 63.583 -1.599 1
1 1176 . 11 1 1 A 89 89 ILE CB C 89 39.850 38.346 1.504 1
1 1180 . 11 1 1 A 90 90 LYS H H 90 7.387 7.552 -0.165 1
1 1181 . 11 1 1 A 90 90 LYS HA H 90 4.508 4.705 -0.197 1
1 1190 . 11 1 1 A 90 90 LYS C C 90 174.665 174.748 -0.083 1
1 1191 . 11 1 1 A 90 90 LYS CA C 90 54.111 54.683 -0.572 1
1 1192 . 11 1 1 A 90 90 LYS CB C 90 35.086 37.299 -2.213 1
1 1196 . 11 1 1 A 91 91 ASN H H 91 8.803 8.770 0.033 1
1 1197 . 11 1 1 A 91 91 ASN HA H 91 4.279 4.753 -0.474 1
1 1202 . 11 1 1 A 91 91 ASN CB C 91 38.879 38.139 0.740 1
1 1203 . 11 1 1 A 91 91 ASN N N 91 120.903 119.906 0.997 1
1 1205 . 11 1 1 A 92 92 PRO HA H 92 4.206 4.209 -0.003 1
1 1212 . 11 1 1 A 92 92 PRO C C 92 174.751 177.081 -2.330 1
1 1213 . 11 1 1 A 92 92 PRO CA C 92 63.927 63.856 0.071 1
1 1214 . 11 1 1 A 92 92 PRO CB C 92 30.969 31.290 -0.321 1
1 1217 . 11 1 1 A 93 93 THR H H 93 7.441 7.722 -0.281 1
1 1218 . 11 1 1 A 93 93 THR HA H 93 4.093 4.333 -0.240 1
1 1224 . 11 1 1 A 93 93 THR C C 93 175.922 173.753 2.169 1
1 1225 . 11 1 1 A 93 93 THR CA C 93 62.221 61.207 1.014 1
1 1226 . 11 1 1 A 93 93 THR CB C 93 69.463 67.920 1.543 1
1 1228 . 11 1 1 A 93 93 THR N N 93 105.991 108.891 -2.900 1
1 1229 . 11 1 1 A 94 94 TYR H H 94 7.139 8.711 -1.572 1
1 1230 . 11 1 1 A 94 94 TYR HA H 94 4.393 4.766 -0.373 1
1 1237 . 11 1 1 A 94 94 TYR C C 94 176.180 176.670 -0.490 1
1 1238 . 11 1 1 A 94 94 TYR CA C 94 58.272 59.300 -1.028 1
1 1239 . 11 1 1 A 94 94 TYR CB C 94 37.490 40.349 -2.859 1
1 1242 . 11 1 1 A 94 94 TYR N N 94 124.098 125.044 -0.946 1
1 1243 . 11 1 1 A 95 95 LYS H H 95 8.904 7.988 0.916 1
1 1244 . 11 1 1 A 95 95 LYS HA H 95 3.758 4.356 -0.598 1
1 1253 . 11 1 1 A 95 95 LYS C C 95 175.547 175.971 -0.424 1
1 1254 . 11 1 1 A 95 95 LYS CA C 95 57.078 55.841 1.237 1
1 1255 . 11 1 1 A 95 95 LYS CB C 95 29.962 32.815 -2.853 1
1 1259 . 11 1 1 A 95 95 LYS N N 95 121.317 119.484 1.833 1
1 1260 . 11 1 1 A 96 96 ALA H H 96 7.583 7.708 -0.125 1
1 1261 . 11 1 1 A 96 96 ALA HA H 96 4.157 4.995 -0.838 1
1 1265 . 11 1 1 A 96 96 ALA C C 96 177.630 175.457 2.173 1
1 1266 . 11 1 1 A 96 96 ALA CA C 96 53.298 50.462 2.836 1
1 1267 . 11 1 1 A 96 96 ALA CB C 96 18.807 23.443 -4.636 1
1 1268 . 11 1 1 A 96 96 ALA N N 96 121.832 122.231 -0.399 1
1 1269 . 11 1 1 A 97 97 GLU H H 97 9.243 9.022 0.221 1
1 1270 . 11 1 1 A 97 97 GLU HA H 97 4.347 5.042 -0.695 1
1 1275 . 11 1 1 A 97 97 GLU C C 97 175.890 175.047 0.843 1
1 1276 . 11 1 1 A 97 97 GLU CA C 97 55.198 54.153 1.045 1
1 1277 . 11 1 1 A 97 97 GLU CB C 97 30.931 33.260 -2.329 1
1 1279 . 11 1 1 A 97 97 GLU N N 97 121.989 117.419 4.570 1
1 1280 . 11 1 1 A 98 98 LEU H H 98 8.401 8.798 -0.397 1
1 1281 . 11 1 1 A 98 98 LEU HA H 98 4.277 4.322 -0.045 1
1 1291 . 11 1 1 A 98 98 LEU C C 98 175.738 175.153 0.585 1
1 1292 . 11 1 1 A 98 98 LEU CA C 98 54.337 54.342 -0.005 1
1 1293 . 11 1 1 A 98 98 LEU CB C 98 41.634 40.088 1.546 1
1 1297 . 11 1 1 A 98 98 LEU N N 98 123.414 121.602 1.812 1
1 1298 . 11 1 1 A 99 99 HIS H H 99 8.749 8.968 -0.219 1
1 1299 . 11 1 1 A 99 99 HIS HA H 99 4.706 4.843 -0.137 1
1 1304 . 11 1 1 A 99 99 HIS C C 99 173.912 173.822 0.090 1
1 1305 . 11 1 1 A 99 99 HIS CA C 99 55.183 53.715 1.468 1
1 1306 . 11 1 1 A 99 99 HIS CB C 99 29.916 28.520 1.396 1
1 1309 . 11 1 1 A 99 99 HIS N N 99 121.129 125.312 -4.183 1
1 1312 . 11 1 1 A 100 100 ALA H H 100 8.369 8.060 0.309 1
1 1313 . 11 1 1 A 100 100 ALA HA H 100 4.518 4.247 0.271 1
1 1317 . 11 1 1 A 100 100 ALA C C 100 177.533 176.425 1.108 1
1 1318 . 11 1 1 A 100 100 ALA CA C 100 51.753 52.027 -0.274 1
1 1319 . 11 1 1 A 100 100 ALA CB C 100 20.081 20.338 -0.257 1
1 1320 . 11 1 1 A 100 100 ALA N N 100 125.646 126.945 -1.299 1
1 1321 . 11 1 1 A 101 101 SER H H 101 8.357 8.878 -0.521 1
1 1322 . 11 1 1 A 101 101 SER HA H 101 4.452 4.639 -0.187 1
1 1325 . 11 1 1 A 101 101 SER C C 101 174.729 174.345 0.384 1
1 1326 . 11 1 1 A 101 101 SER CA C 101 58.781 59.368 -0.587 1
1 1327 . 11 1 1 A 101 101 SER CB C 101 63.865 64.963 -1.098 1
1 1328 . 11 1 1 A 101 101 SER N N 101 115.505 113.348 2.157 1
1 1329 . 11 1 1 A 102 102 VAL H H 102 7.884 7.513 0.371 1
1 1330 . 11 1 1 A 102 102 VAL HA H 102 4.111 3.554 0.557 1
1 1338 . 11 1 1 A 102 102 VAL C C 102 175.837 174.648 1.189 1
1 1339 . 11 1 1 A 102 102 VAL CA C 102 62.237 62.662 -0.425 1
1 1340 . 11 1 1 A 102 102 VAL CB C 102 32.336 29.815 2.521 1
1 1343 . 11 1 1 A 102 102 VAL N N 102 120.880 117.337 3.543 1
1 1344 . 11 1 1 A 103 103 LEU H H 103 8.170 7.604 0.566 1
1 1345 . 11 1 1 A 103 103 LEU HA H 103 4.299 4.922 -0.623 1
1 1355 . 11 1 1 A 103 103 LEU C C 103 177.129 175.397 1.732 1
1 1356 . 11 1 1 A 103 103 LEU CA C 103 54.999 53.385 1.614 1
1 1357 . 11 1 1 A 103 103 LEU CB C 103 42.276 44.247 -1.971 1
1 1361 . 11 1 1 A 103 103 LEU N N 103 124.757 121.551 3.206 1
1 1362 . 11 1 1 A 104 104 GLU H H 104 8.244 8.522 -0.278 1
1 1363 . 11 1 1 A 104 104 GLU HA H 104 4.175 4.835 -0.660 1
1 1368 . 11 1 1 A 104 104 GLU C C 104 176.153 176.277 -0.124 1
1 1369 . 11 1 1 A 104 104 GLU CA C 104 56.413 55.091 1.322 1
1 1370 . 11 1 1 A 104 104 GLU CB C 104 30.270 32.274 -2.004 1
1 1372 . 11 1 1 A 104 104 GLU N N 104 121.146 119.649 1.497 1
1 1373 . 11 1 1 A 105 105 HIS H H 105 8.242 8.482 -0.240 1
1 1376 . 11 1 1 A 105 105 HIS C C 105 174.967 175.720 -0.753 1
1 1377 . 11 1 1 A 105 105 HIS CA C 105 56.137 55.169 0.968 1
1 1378 . 11 1 1 A 105 105 HIS CB C 105 30.290 30.103 0.187 1
1 13 . 12 1 1 A 2 2 ILE HA H 2 4.615 4.598 0.017 1
1 23 . 12 1 1 A 2 2 ILE C C 2 175.630 175.650 -0.020 1
1 24 . 12 1 1 A 2 2 ILE CA C 2 60.619 60.710 -0.091 1
1 25 . 12 1 1 A 2 2 ILE CB C 2 40.542 39.836 0.706 1
1 29 . 12 1 1 A 3 3 THR H H 3 9.133 8.462 0.671 1
1 30 . 12 1 1 A 3 3 THR HA H 3 4.656 4.542 0.114 1
1 36 . 12 1 1 A 3 3 THR C C 3 174.729 175.687 -0.958 1
1 37 . 12 1 1 A 3 3 THR CA C 3 61.509 61.556 -0.047 1
1 38 . 12 1 1 A 3 3 THR CB C 3 69.896 70.161 -0.265 1
1 40 . 12 1 1 A 3 3 THR N N 3 119.091 118.110 0.981 1
1 41 . 12 1 1 A 4 4 PHE H H 4 8.642 9.778 -1.136 1
1 42 . 12 1 1 A 4 4 PHE HA H 4 4.576 4.065 0.511 1
1 50 . 12 1 1 A 4 4 PHE C C 4 176.302 177.363 -1.061 1
1 51 . 12 1 1 A 4 4 PHE CA C 4 58.368 62.615 -4.247 1
1 52 . 12 1 1 A 4 4 PHE CB C 4 37.526 39.372 -1.846 1
1 56 . 12 1 1 A 4 4 PHE N N 4 122.510 123.023 -0.513 1
1 57 . 12 1 1 A 5 5 ALA H H 5 9.195 8.339 0.856 1
1 58 . 12 1 1 A 5 5 ALA HA H 5 3.692 3.957 -0.265 1
1 62 . 12 1 1 A 5 5 ALA C C 5 178.210 180.197 -1.987 1
1 63 . 12 1 1 A 5 5 ALA CA C 5 56.073 55.140 0.933 1
1 64 . 12 1 1 A 5 5 ALA CB C 5 17.897 18.092 -0.195 1
1 65 . 12 1 1 A 5 5 ALA N N 5 120.106 121.236 -1.130 1
1 66 . 12 1 1 A 6 6 ASP H H 6 7.978 8.239 -0.261 1
1 67 . 12 1 1 A 6 6 ASP HA H 6 4.615 4.531 0.084 1
1 70 . 12 1 1 A 6 6 ASP C C 6 179.370 178.388 0.982 1
1 71 . 12 1 1 A 6 6 ASP CA C 6 57.369 57.524 -0.155 1
1 72 . 12 1 1 A 6 6 ASP CB C 6 39.556 40.475 -0.919 1
1 73 . 12 1 1 A 6 6 ASP N N 6 115.486 118.256 -2.770 1
1 74 . 12 1 1 A 7 7 TYR H H 7 8.776 8.350 0.426 1
1 75 . 12 1 1 A 7 7 TYR HA H 7 3.984 4.346 -0.362 1
1 82 . 12 1 1 A 7 7 TYR C C 7 176.232 177.444 -1.212 1
1 83 . 12 1 1 A 7 7 TYR CA C 7 62.241 61.470 0.771 1
1 84 . 12 1 1 A 7 7 TYR CB C 7 38.521 38.210 0.311 1
1 87 . 12 1 1 A 7 7 TYR N N 7 120.885 122.666 -1.781 1
1 88 . 12 1 1 A 8 8 PHE H H 8 9.024 8.648 0.376 1
1 89 . 12 1 1 A 8 8 PHE HA H 8 3.732 4.119 -0.387 1
1 97 . 12 1 1 A 8 8 PHE C C 8 176.261 176.910 -0.649 1
1 98 . 12 1 1 A 8 8 PHE CA C 8 62.936 61.973 0.963 1
1 99 . 12 1 1 A 8 8 PHE CB C 8 39.553 38.815 0.738 1
1 103 . 12 1 1 A 8 8 PHE N N 8 118.754 120.570 -1.816 1
1 104 . 12 1 1 A 9 9 TYR H H 9 8.202 8.227 -0.025 1
1 105 . 12 1 1 A 9 9 TYR HA H 9 3.742 3.987 -0.245 1
1 112 . 12 1 1 A 9 9 TYR C C 9 176.496 177.273 -0.777 1
1 113 . 12 1 1 A 9 9 TYR CA C 9 62.939 61.274 1.665 1
1 114 . 12 1 1 A 9 9 TYR CB C 9 37.941 38.062 -0.121 1
1 117 . 12 1 1 A 9 9 TYR N N 9 117.271 120.313 -3.042 1
1 118 . 12 1 1 A 10 10 GLN H H 10 8.029 8.413 -0.384 1
1 119 . 12 1 1 A 10 10 GLN HA H 10 3.928 3.982 -0.054 1
1 126 . 12 1 1 A 10 10 GLN C C 10 177.393 177.843 -0.450 1
1 127 . 12 1 1 A 10 10 GLN CA C 10 58.717 58.390 0.327 1
1 128 . 12 1 1 A 10 10 GLN CB C 10 28.482 28.610 -0.128 1
1 130 . 12 1 1 A 10 10 GLN N N 10 117.935 118.043 -0.108 1
1 132 . 12 1 1 A 11 11 TRP H H 11 8.772 8.418 0.354 1
1 133 . 12 1 1 A 11 11 TRP HA H 11 3.690 4.108 -0.418 1
1 142 . 12 1 1 A 11 11 TRP C C 11 178.487 177.508 0.979 1
1 143 . 12 1 1 A 11 11 TRP CA C 11 61.256 60.615 0.641 1
1 144 . 12 1 1 A 11 11 TRP CB C 11 27.472 29.037 -1.565 1
1 150 . 12 1 1 A 11 11 TRP N N 11 121.577 122.036 -0.459 1
1 152 . 12 1 1 A 12 12 TYR H H 12 8.168 8.037 0.131 1
1 153 . 12 1 1 A 12 12 TYR HA H 12 2.938 3.237 -0.299 1
1 160 . 12 1 1 A 12 12 TYR C C 12 177.277 176.875 0.402 1
1 161 . 12 1 1 A 12 12 TYR CA C 12 59.178 60.965 -1.787 1
1 162 . 12 1 1 A 12 12 TYR CB C 12 36.729 38.021 -1.292 1
1 165 . 12 1 1 A 12 12 TYR N N 12 121.811 120.797 1.014 1
1 166 . 12 1 1 A 13 13 GLU H H 13 8.434 8.223 0.211 1
1 167 . 12 1 1 A 13 13 GLU HA H 13 2.996 3.418 -0.422 1
1 172 . 12 1 1 A 13 13 GLU C C 13 177.157 178.979 -1.822 1
1 173 . 12 1 1 A 13 13 GLU CA C 13 59.164 59.037 0.127 1
1 174 . 12 1 1 A 13 13 GLU CB C 13 29.447 29.106 0.341 1
1 176 . 12 1 1 A 13 13 GLU N N 13 123.599 119.292 4.307 1
1 177 . 12 1 1 A 14 14 VAL H H 14 7.605 7.640 -0.035 1
1 178 . 12 1 1 A 14 14 VAL HA H 14 3.562 3.496 0.066 1
1 186 . 12 1 1 A 14 14 VAL C C 14 177.289 177.216 0.073 1
1 187 . 12 1 1 A 14 14 VAL CA C 14 64.338 65.954 -1.616 1
1 188 . 12 1 1 A 14 14 VAL CB C 14 32.669 31.484 1.185 1
1 191 . 12 1 1 A 14 14 VAL N N 14 113.566 119.232 -5.666 1
1 192 . 12 1 1 A 15 15 ASN H H 15 7.482 7.111 0.371 1
1 193 . 12 1 1 A 15 15 ASN HA H 15 4.429 4.591 -0.162 1
1 198 . 12 1 1 A 15 15 ASN C C 15 175.201 174.645 0.556 1
1 199 . 12 1 1 A 15 15 ASN CA C 15 55.218 54.642 0.576 1
1 200 . 12 1 1 A 15 15 ASN CB C 15 39.927 39.393 0.534 1
1 201 . 12 1 1 A 15 15 ASN N N 15 112.195 117.621 -5.426 1
1 203 . 12 1 1 A 16 16 LYS H H 16 7.413 7.434 -0.021 1
1 204 . 12 1 1 A 16 16 LYS HA H 16 4.338 4.490 -0.152 1
1 213 . 12 1 1 A 16 16 LYS C C 16 175.309 175.154 0.155 1
1 214 . 12 1 1 A 16 16 LYS CA C 16 54.807 54.935 -0.128 1
1 215 . 12 1 1 A 16 16 LYS CB C 16 32.665 32.983 -0.318 1
1 219 . 12 1 1 A 16 16 LYS N N 16 115.814 117.822 -2.008 1
1 220 . 12 1 1 A 17 17 LEU H H 17 7.490 8.579 -1.089 1
1 221 . 12 1 1 A 17 17 LEU HA H 17 3.603 4.122 -0.519 1
1 231 . 12 1 1 A 17 17 LEU C C 17 173.754 176.873 -3.119 1
1 232 . 12 1 1 A 17 17 LEU CA C 17 59.847 56.036 3.811 1
1 233 . 12 1 1 A 17 17 LEU CB C 17 39.552 43.626 -4.074 1
1 237 . 12 1 1 A 17 17 LEU N N 17 121.586 125.458 -3.872 1
1 238 . 12 1 1 A 18 18 PRO HA H 18 4.107 4.227 -0.120 1
1 245 . 12 1 1 A 18 18 PRO C C 18 176.412 176.726 -0.314 1
1 246 . 12 1 1 A 18 18 PRO CA C 18 64.656 63.751 0.905 1
1 247 . 12 1 1 A 18 18 PRO CB C 18 30.980 31.989 -1.009 1
1 250 . 12 1 1 A 19 19 HIS H H 19 7.631 7.894 -0.263 1
1 251 . 12 1 1 A 19 19 HIS HA H 19 4.857 4.686 0.171 1
1 256 . 12 1 1 A 19 19 HIS C C 19 175.822 175.015 0.807 1
1 257 . 12 1 1 A 19 19 HIS CA C 19 55.004 55.208 -0.204 1
1 258 . 12 1 1 A 19 19 HIS CB C 19 32.358 30.849 1.509 1
1 260 . 12 1 1 A 19 19 HIS N N 19 111.190 115.609 -4.419 1
1 263 . 12 1 1 A 20 20 VAL H H 20 7.124 7.231 -0.107 1
1 264 . 12 1 1 A 20 20 VAL HA H 20 4.728 4.838 -0.110 1
1 272 . 12 1 1 A 20 20 VAL C C 20 175.497 174.925 0.572 1
1 273 . 12 1 1 A 20 20 VAL CA C 20 60.134 58.809 1.325 1
1 274 . 12 1 1 A 20 20 VAL CB C 20 34.199 34.865 -0.666 1
1 277 . 12 1 1 A 20 20 VAL N N 20 112.191 114.610 -2.419 1
1 278 . 12 1 1 A 21 21 SER H H 21 8.589 8.433 0.156 1
1 279 . 12 1 1 A 21 21 SER HA H 21 4.531 4.641 -0.110 1
1 282 . 12 1 1 A 21 21 SER C C 21 174.840 175.910 -1.070 1
1 283 . 12 1 1 A 21 21 SER CA C 21 57.236 57.807 -0.571 1
1 284 . 12 1 1 A 21 21 SER CB C 21 65.251 64.611 0.640 1
1 285 . 12 1 1 A 21 21 SER N N 21 116.825 118.968 -2.143 1
1 286 . 12 1 1 A 22 22 GLU H H 22 8.964 9.091 -0.127 1
1 287 . 12 1 1 A 22 22 GLU HA H 22 3.922 4.111 -0.189 1
1 292 . 12 1 1 A 22 22 GLU C C 22 178.606 178.874 -0.268 1
1 293 . 12 1 1 A 22 22 GLU CA C 22 59.837 59.127 0.710 1
1 294 . 12 1 1 A 22 22 GLU CB C 22 29.239 29.128 0.111 1
1 296 . 12 1 1 A 22 22 GLU N N 22 120.863 123.731 -2.868 1
1 297 . 12 1 1 A 23 23 SER H H 23 8.426 8.389 0.037 1
1 298 . 12 1 1 A 23 23 SER HA H 23 4.151 4.270 -0.119 1
1 301 . 12 1 1 A 23 23 SER C C 23 176.977 177.544 -0.567 1
1 302 . 12 1 1 A 23 23 SER CA C 23 61.220 61.391 -0.171 1
1 303 . 12 1 1 A 23 23 SER CB C 23 62.252 62.251 0.001 1
1 304 . 12 1 1 A 23 23 SER N N 23 112.196 116.367 -4.171 1
1 305 . 12 1 1 A 24 24 THR H H 24 7.749 7.894 -0.145 1
1 306 . 12 1 1 A 24 24 THR HA H 24 4.163 4.348 -0.185 1
1 311 . 12 1 1 A 24 24 THR C C 24 176.523 177.087 -0.564 1
1 312 . 12 1 1 A 24 24 THR CA C 24 66.045 67.205 -1.160 1
1 313 . 12 1 1 A 24 24 THR CB C 24 68.305 68.143 0.162 1
1 315 . 12 1 1 A 24 24 THR N N 24 120.348 117.685 2.663 1
1 316 . 12 1 1 A 25 25 LYS H H 25 8.605 7.829 0.776 1
1 317 . 12 1 1 A 25 25 LYS HA H 25 4.064 4.301 -0.237 1
1 326 . 12 1 1 A 25 25 LYS C C 25 178.447 180.117 -1.670 1
1 327 . 12 1 1 A 25 25 LYS CA C 25 61.087 60.112 0.975 1
1 328 . 12 1 1 A 25 25 LYS CB C 25 32.717 32.281 0.436 1
1 332 . 12 1 1 A 25 25 LYS N N 25 123.593 120.160 3.433 1
1 333 . 12 1 1 A 26 26 ARG H H 26 7.485 7.892 -0.407 1
1 334 . 12 1 1 A 26 26 ARG HA H 26 4.146 4.142 0.004 1
1 341 . 12 1 1 A 26 26 ARG C C 26 179.845 179.199 0.646 1
1 342 . 12 1 1 A 26 26 ARG CA C 26 58.916 59.739 -0.823 1
1 343 . 12 1 1 A 26 26 ARG CB C 26 30.384 29.640 0.744 1
1 346 . 12 1 1 A 26 26 ARG N N 26 114.116 119.480 -5.364 1
1 347 . 12 1 1 A 27 27 HIS H H 27 7.677 8.120 -0.443 1
1 348 . 12 1 1 A 27 27 HIS HA H 27 4.757 4.446 0.311 1
1 353 . 12 1 1 A 27 27 HIS C C 27 179.743 177.561 2.182 1
1 354 . 12 1 1 A 27 27 HIS CA C 27 58.659 59.037 -0.378 1
1 355 . 12 1 1 A 27 27 HIS CB C 27 30.967 30.158 0.809 1
1 358 . 12 1 1 A 27 27 HIS N N 27 119.389 118.593 0.796 1
1 361 . 12 1 1 A 28 28 TYR H H 28 8.119 7.995 0.124 1
1 362 . 12 1 1 A 28 28 TYR HA H 28 4.009 4.051 -0.042 1
1 369 . 12 1 1 A 28 28 TYR C C 28 178.685 178.524 0.161 1
1 370 . 12 1 1 A 28 28 TYR CA C 28 63.311 61.945 1.366 1
1 371 . 12 1 1 A 28 28 TYR CB C 28 38.879 37.499 1.380 1
1 374 . 12 1 1 A 28 28 TYR N N 28 121.786 117.387 4.399 1
1 375 . 12 1 1 A 29 29 GLU H H 29 8.631 8.878 -0.247 1
1 376 . 12 1 1 A 29 29 GLU HA H 29 4.067 4.330 -0.263 1
1 381 . 12 1 1 A 29 29 GLU C C 29 179.950 179.204 0.746 1
1 382 . 12 1 1 A 29 29 GLU CA C 29 59.827 59.950 -0.123 1
1 383 . 12 1 1 A 29 29 GLU CB C 29 29.172 29.551 -0.379 1
1 385 . 12 1 1 A 29 29 GLU N N 29 119.090 120.648 -1.558 1
1 386 . 12 1 1 A 30 30 SER H H 30 8.307 8.429 -0.122 1
1 387 . 12 1 1 A 30 30 SER HA H 30 4.467 4.299 0.168 1
1 390 . 12 1 1 A 30 30 SER C C 30 177.445 176.585 0.860 1
1 391 . 12 1 1 A 30 30 SER CA C 30 61.068 61.914 -0.846 1
1 392 . 12 1 1 A 30 30 SER CB C 30 63.054 63.047 0.007 1
1 393 . 12 1 1 A 30 30 SER N N 30 115.027 116.869 -1.842 1
1 394 . 12 1 1 A 31 31 ALA H H 31 8.319 7.998 0.321 1
1 395 . 12 1 1 A 31 31 ALA HA H 31 4.070 4.235 -0.165 1
1 399 . 12 1 1 A 31 31 ALA C C 31 178.488 179.260 -0.772 1
1 400 . 12 1 1 A 31 31 ALA CA C 31 55.926 55.071 0.855 1
1 401 . 12 1 1 A 31 31 ALA CB C 31 18.510 18.654 -0.144 1
1 402 . 12 1 1 A 31 31 ALA N N 31 124.966 123.727 1.239 1
1 403 . 12 1 1 A 32 32 TYR H H 32 8.537 9.074 -0.537 1
1 404 . 12 1 1 A 32 32 TYR HA H 32 4.114 4.176 -0.062 1
1 411 . 12 1 1 A 32 32 TYR C C 32 175.705 178.058 -2.353 1
1 412 . 12 1 1 A 32 32 TYR CA C 32 60.480 62.226 -1.746 1
1 413 . 12 1 1 A 32 32 TYR CB C 32 37.864 39.149 -1.285 1
1 416 . 12 1 1 A 32 32 TYR N N 32 116.814 120.097 -3.283 1
1 417 . 12 1 1 A 33 33 LYS H H 33 7.988 8.676 -0.688 1
1 418 . 12 1 1 A 33 33 LYS HA H 33 3.513 3.896 -0.383 1
1 427 . 12 1 1 A 33 33 LYS C C 33 178.474 178.548 -0.074 1
1 428 . 12 1 1 A 33 33 LYS CA C 33 59.810 59.017 0.793 1
1 429 . 12 1 1 A 33 33 LYS CB C 33 32.000 32.025 -0.025 1
1 433 . 12 1 1 A 33 33 LYS N N 33 119.358 118.621 0.737 1
1 434 . 12 1 1 A 34 34 HIS H H 34 8.187 7.594 0.593 1
1 435 . 12 1 1 A 34 34 HIS HA H 34 4.449 4.612 -0.163 1
1 440 . 12 1 1 A 34 34 HIS C C 34 178.948 178.052 0.896 1
1 441 . 12 1 1 A 34 34 HIS CA C 34 60.883 60.732 0.151 1
1 442 . 12 1 1 A 34 34 HIS CB C 34 28.843 31.314 -2.471 1
1 445 . 12 1 1 A 34 34 HIS N N 34 116.156 118.472 -2.316 1
1 448 . 12 1 1 A 35 35 ILE H H 35 8.676 8.460 0.216 1
1 449 . 12 1 1 A 35 35 ILE HA H 35 3.513 3.426 0.087 1
1 459 . 12 1 1 A 35 35 ILE C C 35 177.630 178.302 -0.672 1
1 460 . 12 1 1 A 35 35 ILE CA C 35 65.690 65.391 0.299 1
1 461 . 12 1 1 A 35 35 ILE CB C 35 38.481 37.664 0.817 1
1 465 . 12 1 1 A 35 35 ILE N N 35 121.824 120.606 1.218 1
1 466 . 12 1 1 A 36 36 LYS H H 36 8.797 8.309 0.488 1
1 467 . 12 1 1 A 36 36 LYS HA H 36 3.712 3.930 -0.218 1
1 476 . 12 1 1 A 36 36 LYS C C 36 179.397 177.816 1.581 1
1 477 . 12 1 1 A 36 36 LYS CA C 36 59.860 58.917 0.943 1
1 478 . 12 1 1 A 36 36 LYS CB C 36 31.878 31.836 0.042 1
1 482 . 12 1 1 A 36 36 LYS N N 36 121.589 120.698 0.891 1
1 483 . 12 1 1 A 37 37 ASP H H 37 8.246 7.946 0.300 1
1 484 . 12 1 1 A 37 37 ASP HA H 37 4.336 4.395 -0.059 1
1 487 . 12 1 1 A 37 37 ASP C C 37 177.234 178.007 -0.773 1
1 488 . 12 1 1 A 37 37 ASP CA C 37 56.932 57.256 -0.324 1
1 489 . 12 1 1 A 37 37 ASP CB C 37 40.576 41.296 -0.720 1
1 490 . 12 1 1 A 37 37 ASP N N 37 118.225 119.709 -1.484 1
1 491 . 12 1 1 A 38 38 HIS H H 38 7.867 7.891 -0.024 1
1 492 . 12 1 1 A 38 38 HIS HA H 38 4.284 4.300 -0.016 1
1 496 . 12 1 1 A 38 38 HIS C C 38 176.839 175.205 1.634 1
1 497 . 12 1 1 A 38 38 HIS CA C 38 59.389 58.843 0.546 1
1 498 . 12 1 1 A 38 38 HIS CB C 38 31.630 30.976 0.654 1
1 500 . 12 1 1 A 38 38 HIS N N 38 115.487 115.614 -0.127 1
1 501 . 12 1 1 A 39 39 PHE H H 39 9.082 8.723 0.359 1
1 502 . 12 1 1 A 39 39 PHE HA H 39 4.369 4.977 -0.608 1
1 510 . 12 1 1 A 39 39 PHE C C 39 175.890 176.160 -0.270 1
1 511 . 12 1 1 A 39 39 PHE CA C 39 60.159 56.281 3.878 1
1 512 . 12 1 1 A 39 39 PHE CB C 39 38.850 38.194 0.656 1
1 516 . 12 1 1 A 39 39 PHE N N 39 114.327 115.788 -1.461 1
1 517 . 12 1 1 A 40 40 ARG H H 40 8.104 8.670 -0.566 1
1 518 . 12 1 1 A 40 40 ARG HA H 40 3.921 4.466 -0.545 1
1 525 . 12 1 1 A 40 40 ARG C C 40 176.892 177.117 -0.225 1
1 526 . 12 1 1 A 40 40 ARG CA C 40 58.009 59.069 -1.060 1
1 527 . 12 1 1 A 40 40 ARG CB C 40 27.531 30.618 -3.087 1
1 530 . 12 1 1 A 40 40 ARG N N 40 118.379 125.752 -7.373 1
1 531 . 12 1 1 A 41 41 HIS H H 41 8.589 8.078 0.511 1
1 532 . 12 1 1 A 41 41 HIS HA H 41 4.910 4.909 0.001 1
1 536 . 12 1 1 A 41 41 HIS C C 41 174.835 174.386 0.449 1
1 537 . 12 1 1 A 41 41 HIS CA C 41 55.473 53.965 1.508 1
1 538 . 12 1 1 A 41 41 HIS CB C 41 29.720 29.559 0.161 1
1 540 . 12 1 1 A 41 41 HIS N N 41 123.828 113.572 10.256 1
1 541 . 12 1 1 A 42 42 LYS H H 42 8.326 8.369 -0.043 1
1 542 . 12 1 1 A 42 42 LYS HA H 42 4.181 4.701 -0.520 1
1 551 . 12 1 1 A 42 42 LYS C C 42 177.973 176.930 1.043 1
1 552 . 12 1 1 A 42 42 LYS CA C 42 58.201 55.415 2.786 1
1 553 . 12 1 1 A 42 42 LYS CB C 42 33.047 33.852 -0.805 1
1 557 . 12 1 1 A 42 42 LYS N N 42 121.129 122.985 -1.856 1
1 558 . 12 1 1 A 43 43 LEU H H 43 9.243 8.524 0.719 1
1 559 . 12 1 1 A 43 43 LEU HA H 43 4.346 4.464 -0.118 1
1 569 . 12 1 1 A 43 43 LEU C C 43 177.840 178.039 -0.199 1
1 570 . 12 1 1 A 43 43 LEU CA C 43 55.420 54.615 0.805 1
1 571 . 12 1 1 A 43 43 LEU CB C 43 40.936 42.406 -1.470 1
1 575 . 12 1 1 A 43 43 LEU N N 43 124.529 126.724 -2.195 1
1 576 . 12 1 1 A 44 44 LEU H H 44 8.404 8.550 -0.146 1
1 577 . 12 1 1 A 44 44 LEU HA H 44 3.681 3.988 -0.307 1
1 587 . 12 1 1 A 44 44 LEU C C 44 177.962 177.799 0.163 1
1 588 . 12 1 1 A 44 44 LEU CA C 44 58.773 58.479 0.294 1
1 589 . 12 1 1 A 44 44 LEU CB C 44 42.661 41.114 1.547 1
1 593 . 12 1 1 A 44 44 LEU N N 44 123.643 125.903 -2.260 1
1 594 . 12 1 1 A 45 45 LYS HA H 45 4.126 4.183 -0.057 1
1 603 . 12 1 1 A 45 45 LYS C C 45 175.533 176.512 -0.979 1
1 604 . 12 1 1 A 45 45 LYS CA C 45 57.405 57.252 0.153 1
1 605 . 12 1 1 A 45 45 LYS CB C 45 31.650 32.449 -0.799 1
1 609 . 12 1 1 A 46 46 ASP H H 46 7.520 8.063 -0.543 1
1 610 . 12 1 1 A 46 46 ASP HA H 46 4.888 4.703 0.185 1
1 613 . 12 1 1 A 46 46 ASP C C 46 175.811 176.007 -0.196 1
1 614 . 12 1 1 A 46 46 ASP CA C 46 54.268 53.291 0.977 1
1 615 . 12 1 1 A 46 46 ASP CB C 46 42.178 41.083 1.095 1
1 616 . 12 1 1 A 46 46 ASP N N 46 118.587 119.598 -1.011 1
1 617 . 12 1 1 A 47 47 ILE H H 47 6.965 7.187 -0.222 1
1 618 . 12 1 1 A 47 47 ILE HA H 47 4.048 3.911 0.137 1
1 628 . 12 1 1 A 47 47 ILE C C 47 175.362 174.962 0.400 1
1 629 . 12 1 1 A 47 47 ILE CA C 47 59.826 60.392 -0.566 1
1 630 . 12 1 1 A 47 47 ILE CB C 47 34.389 37.444 -3.055 1
1 634 . 12 1 1 A 47 47 ILE N N 47 119.126 121.787 -2.661 1
1 635 . 12 1 1 A 48 48 LYS H H 48 8.489 8.712 -0.223 1
1 636 . 12 1 1 A 48 48 LYS HA H 48 4.635 4.260 0.375 1
1 645 . 12 1 1 A 48 48 LYS C C 48 177.252 177.944 -0.692 1
1 646 . 12 1 1 A 48 48 LYS CA C 48 54.357 56.243 -1.886 1
1 647 . 12 1 1 A 48 48 LYS CB C 48 34.753 33.089 1.664 1
1 651 . 12 1 1 A 48 48 LYS N N 48 127.892 128.209 -0.317 1
1 652 . 12 1 1 A 49 49 ARG H H 49 8.816 8.699 0.117 1
1 653 . 12 1 1 A 49 49 ARG HA H 49 4.314 4.034 0.280 1
1 660 . 12 1 1 A 49 49 ARG C C 49 178.464 177.995 0.469 1
1 661 . 12 1 1 A 49 49 ARG CA C 49 60.341 58.710 1.631 1
1 662 . 12 1 1 A 49 49 ARG CB C 49 30.197 30.006 0.191 1
1 665 . 12 1 1 A 49 49 ARG N N 49 122.736 122.482 0.254 1
1 666 . 12 1 1 A 50 50 THR H H 50 8.269 8.116 0.153 1
1 667 . 12 1 1 A 50 50 THR HA H 50 4.079 4.073 0.006 1
1 672 . 12 1 1 A 50 50 THR C C 50 177.316 177.499 -0.183 1
1 673 . 12 1 1 A 50 50 THR CA C 50 65.501 65.595 -0.094 1
1 674 . 12 1 1 A 50 50 THR CB C 50 67.951 68.172 -0.221 1
1 676 . 12 1 1 A 50 50 THR N N 50 110.696 111.665 -0.969 1
1 677 . 12 1 1 A 51 51 GLU H H 51 7.260 8.074 -0.814 1
1 678 . 12 1 1 A 51 51 GLU HA H 51 4.239 4.223 0.016 1
1 683 . 12 1 1 A 51 51 GLU C C 51 179.621 178.827 0.794 1
1 684 . 12 1 1 A 51 51 GLU CA C 51 58.921 60.140 -1.219 1
1 685 . 12 1 1 A 51 51 GLU CB C 51 29.916 29.530 0.386 1
1 687 . 12 1 1 A 51 51 GLU N N 51 121.344 122.802 -1.458 1
1 688 . 12 1 1 A 52 52 TYR H H 52 8.678 8.226 0.452 1
1 689 . 12 1 1 A 52 52 TYR HA H 52 4.376 4.288 0.088 1
1 697 . 12 1 1 A 52 52 TYR C C 52 176.120 177.660 -1.540 1
1 698 . 12 1 1 A 52 52 TYR CA C 52 62.660 61.772 0.888 1
1 699 . 12 1 1 A 52 52 TYR CB C 52 38.206 38.377 -0.171 1
1 702 . 12 1 1 A 52 52 TYR N N 52 122.483 121.785 0.698 1
1 703 . 12 1 1 A 53 53 GLN H H 53 8.801 8.089 0.712 1
1 704 . 12 1 1 A 53 53 GLN HA H 53 3.721 3.852 -0.131 1
1 711 . 12 1 1 A 53 53 GLN C C 53 177.894 178.447 -0.553 1
1 712 . 12 1 1 A 53 53 GLN CA C 53 58.111 58.709 -0.598 1
1 713 . 12 1 1 A 53 53 GLN CB C 53 28.909 28.399 0.510 1
1 715 . 12 1 1 A 53 53 GLN N N 53 118.817 118.340 0.477 1
1 717 . 12 1 1 A 54 54 LYS H H 54 7.685 7.582 0.103 1
1 718 . 12 1 1 A 54 54 LYS HA H 54 4.051 4.069 -0.018 1
1 727 . 12 1 1 A 54 54 LYS C C 54 178.918 178.583 0.335 1
1 728 . 12 1 1 A 54 54 LYS CA C 54 59.845 58.727 1.118 1
1 729 . 12 1 1 A 54 54 LYS CB C 54 32.339 32.282 0.057 1
1 733 . 12 1 1 A 54 54 LYS N N 54 118.629 118.931 -0.302 1
1 734 . 12 1 1 A 55 55 PHE H H 55 7.533 8.027 -0.494 1
1 735 . 12 1 1 A 55 55 PHE HA H 55 3.660 3.777 -0.117 1
1 743 . 12 1 1 A 55 55 PHE C C 55 176.180 177.096 -0.916 1
1 744 . 12 1 1 A 55 55 PHE CA C 55 59.494 60.978 -1.484 1
1 745 . 12 1 1 A 55 55 PHE CB C 55 38.189 39.209 -1.020 1
1 749 . 12 1 1 A 55 55 PHE N N 55 120.449 121.041 -0.592 1
1 750 . 12 1 1 A 56 56 LEU H H 56 8.019 8.531 -0.512 1
1 751 . 12 1 1 A 56 56 LEU HA H 56 3.254 3.579 -0.325 1
1 761 . 12 1 1 A 56 56 LEU C C 56 179.581 178.760 0.821 1
1 762 . 12 1 1 A 56 56 LEU CA C 56 57.366 57.486 -0.120 1
1 763 . 12 1 1 A 56 56 LEU CB C 56 41.462 40.885 0.577 1
1 767 . 12 1 1 A 56 56 LEU N N 56 120.223 119.658 0.565 1
1 768 . 12 1 1 A 57 57 ASN H H 57 8.427 8.347 0.080 1
1 769 . 12 1 1 A 57 57 ASN HA H 57 4.324 4.271 0.053 1
1 774 . 12 1 1 A 57 57 ASN C C 57 178.105 178.196 -0.091 1
1 775 . 12 1 1 A 57 57 ASN CA C 57 55.194 56.962 -1.768 1
1 776 . 12 1 1 A 57 57 ASN CB C 57 36.948 39.636 -2.688 1
1 777 . 12 1 1 A 57 57 ASN N N 57 118.422 117.732 0.690 1
1 779 . 12 1 1 A 58 58 GLU H H 58 7.873 7.888 -0.015 1
1 780 . 12 1 1 A 58 58 GLU HA H 58 4.063 4.109 -0.046 1
1 785 . 12 1 1 A 58 58 GLU C C 58 179.660 178.644 1.016 1
1 786 . 12 1 1 A 58 58 GLU CA C 58 59.064 59.287 -0.223 1
1 787 . 12 1 1 A 58 58 GLU CB C 58 29.592 29.435 0.157 1
1 789 . 12 1 1 A 58 58 GLU N N 58 121.129 119.409 1.720 1
1 790 . 12 1 1 A 59 59 TYR H H 59 8.638 7.750 0.888 1
1 791 . 12 1 1 A 59 59 TYR HA H 59 3.949 4.113 -0.164 1
1 798 . 12 1 1 A 59 59 TYR C C 59 179.907 178.147 1.760 1
1 799 . 12 1 1 A 59 59 TYR CA C 59 61.870 61.089 0.781 1
1 800 . 12 1 1 A 59 59 TYR CB C 59 38.156 38.102 0.054 1
1 803 . 12 1 1 A 59 59 TYR N N 59 124.461 120.727 3.734 1
1 804 . 12 1 1 A 60 60 GLY H H 60 8.925 8.538 0.387 1
1 805 . 12 1 1 A 60 60 GLY HA2 H 60 3.947 3.949 -0.002 1
1 806 . 12 1 1 A 60 60 GLY HA3 H 60 4.175 3.956 0.219 1
1 807 . 12 1 1 A 60 60 GLY C C 60 173.294 174.805 -1.511 1
1 808 . 12 1 1 A 60 60 GLY CA C 60 46.424 46.121 0.303 1
1 809 . 12 1 1 A 60 60 GLY N N 60 107.578 106.199 1.379 1
1 810 . 12 1 1 A 61 61 LEU H H 61 7.448 7.593 -0.145 1
1 811 . 12 1 1 A 61 61 LEU HA H 61 4.238 4.331 -0.093 1
1 821 . 12 1 1 A 61 61 LEU C C 61 179.159 177.904 1.255 1
1 822 . 12 1 1 A 61 61 LEU CA C 61 57.274 55.592 1.682 1
1 823 . 12 1 1 A 61 61 LEU CB C 61 42.304 42.361 -0.057 1
1 827 . 12 1 1 A 61 61 LEU N N 61 118.202 120.390 -2.188 1
1 828 . 12 1 1 A 62 62 THR H H 62 6.974 7.211 -0.237 1
1 829 . 12 1 1 A 62 62 THR HA H 62 4.385 4.453 -0.068 1
1 834 . 12 1 1 A 62 62 THR C C 62 173.170 173.763 -0.593 1
1 835 . 12 1 1 A 62 62 THR CA C 62 59.813 61.783 -1.970 1
1 836 . 12 1 1 A 62 62 THR CB C 62 69.697 70.307 -0.610 1
1 838 . 12 1 1 A 62 62 THR N N 62 101.223 105.404 -4.181 1
1 839 . 12 1 1 A 63 63 HIS H H 63 7.041 7.780 -0.739 1
1 840 . 12 1 1 A 63 63 HIS HA H 63 4.861 4.975 -0.114 1
1 845 . 12 1 1 A 63 63 HIS C C 63 172.567 175.051 -2.484 1
1 846 . 12 1 1 A 63 63 HIS CA C 63 55.522 53.859 1.663 1
1 847 . 12 1 1 A 63 63 HIS CB C 63 32.328 32.984 -0.656 1
1 850 . 12 1 1 A 63 63 HIS N N 63 116.818 120.143 -3.325 1
1 853 . 12 1 1 A 64 64 SER H H 64 8.717 8.646 0.071 1
1 854 . 12 1 1 A 64 64 SER HA H 64 4.582 4.527 0.055 1
1 857 . 12 1 1 A 64 64 SER C C 64 174.545 175.103 -0.558 1
1 858 . 12 1 1 A 64 64 SER CA C 64 57.169 58.968 -1.799 1
1 859 . 12 1 1 A 64 64 SER CB C 64 65.484 64.223 1.261 1
1 860 . 12 1 1 A 64 64 SER N N 64 116.128 118.207 -2.079 1
1 861 . 12 1 1 A 65 65 TYR H H 65 9.054 9.243 -0.189 1
1 862 . 12 1 1 A 65 65 TYR HA H 65 4.059 4.127 -0.068 1
1 869 . 12 1 1 A 65 65 TYR C C 65 176.918 177.432 -0.514 1
1 870 . 12 1 1 A 65 65 TYR CA C 65 61.906 62.640 -0.734 1
1 871 . 12 1 1 A 65 65 TYR CB C 65 38.185 38.904 -0.719 1
1 874 . 12 1 1 A 65 65 TYR N N 65 121.679 124.350 -2.671 1
1 875 . 12 1 1 A 66 66 GLU H H 66 8.965 8.351 0.614 1
1 876 . 12 1 1 A 66 66 GLU HA H 66 3.888 3.997 -0.109 1
1 881 . 12 1 1 A 66 66 GLU C C 66 178.764 179.047 -0.283 1
1 882 . 12 1 1 A 66 66 GLU CA C 66 59.329 59.128 0.201 1
1 883 . 12 1 1 A 66 66 GLU CB C 66 28.874 29.045 -0.171 1
1 885 . 12 1 1 A 66 66 GLU N N 66 117.723 118.499 -0.776 1
1 886 . 12 1 1 A 67 67 THR H H 67 7.626 8.083 -0.457 1
1 887 . 12 1 1 A 67 67 THR HA H 67 3.864 4.175 -0.311 1
1 892 . 12 1 1 A 67 67 THR C C 67 176.681 176.509 0.172 1
1 893 . 12 1 1 A 67 67 THR CA C 67 66.368 67.339 -0.971 1
1 894 . 12 1 1 A 67 67 THR CB C 67 68.290 68.443 -0.153 1
1 896 . 12 1 1 A 67 67 THR N N 67 116.084 118.213 -2.129 1
1 897 . 12 1 1 A 68 68 ILE H H 68 8.324 8.268 0.056 1
1 898 . 12 1 1 A 68 68 ILE HA H 68 3.686 3.895 -0.209 1
1 908 . 12 1 1 A 68 68 ILE C C 68 176.527 177.522 -0.995 1
1 909 . 12 1 1 A 68 68 ILE CA C 68 65.205 62.824 2.381 1
1 910 . 12 1 1 A 68 68 ILE CB C 68 38.355 37.717 0.638 1
1 914 . 12 1 1 A 68 68 ILE N N 68 123.174 120.611 2.563 1
1 915 . 12 1 1 A 69 69 ARG H H 69 8.407 8.051 0.356 1
1 916 . 12 1 1 A 69 69 ARG HA H 69 3.673 3.691 -0.018 1
1 923 . 12 1 1 A 69 69 ARG C C 69 179.687 178.176 1.511 1
1 924 . 12 1 1 A 69 69 ARG CA C 69 59.577 59.541 0.036 1
1 925 . 12 1 1 A 69 69 ARG CB C 69 29.560 29.394 0.166 1
1 928 . 12 1 1 A 69 69 ARG N N 69 121.358 121.582 -0.224 1
1 929 . 12 1 1 A 70 70 LYS H H 70 7.562 7.979 -0.417 1
1 930 . 12 1 1 A 70 70 LYS HA H 70 3.617 3.723 -0.106 1
1 939 . 12 1 1 A 70 70 LYS C C 70 177.129 178.083 -0.954 1
1 940 . 12 1 1 A 70 70 LYS CA C 70 59.380 59.095 0.285 1
1 941 . 12 1 1 A 70 70 LYS CB C 70 31.978 31.784 0.194 1
1 945 . 12 1 1 A 70 70 LYS N N 70 120.218 118.923 1.295 1
1 946 . 12 1 1 A 71 71 LEU H H 71 7.640 8.215 -0.575 1
1 947 . 12 1 1 A 71 71 LEU HA H 71 3.629 3.981 -0.352 1
1 957 . 12 1 1 A 71 71 LEU C C 71 178.157 178.415 -0.258 1
1 958 . 12 1 1 A 71 71 LEU CA C 71 58.477 58.306 0.171 1
1 959 . 12 1 1 A 71 71 LEU CB C 71 41.262 41.461 -0.199 1
1 963 . 12 1 1 A 71 71 LEU N N 71 119.991 121.271 -1.280 1
1 964 . 12 1 1 A 72 72 ASN H H 72 8.474 8.593 -0.119 1
1 965 . 12 1 1 A 72 72 ASN HA H 72 4.485 4.667 -0.182 1
1 970 . 12 1 1 A 72 72 ASN C C 72 176.285 177.623 -1.338 1
1 971 . 12 1 1 A 72 72 ASN CA C 72 56.424 56.878 -0.454 1
1 972 . 12 1 1 A 72 72 ASN CB C 72 39.544 39.618 -0.074 1
1 973 . 12 1 1 A 72 72 ASN N N 72 114.097 117.501 -3.404 1
1 975 . 12 1 1 A 73 73 SER H H 73 7.878 8.109 -0.231 1
1 976 . 12 1 1 A 73 73 SER HA H 73 4.177 4.260 -0.083 1
1 979 . 12 1 1 A 73 73 SER C C 73 176.734 176.638 0.096 1
1 980 . 12 1 1 A 73 73 SER CA C 73 61.741 61.885 -0.144 1
1 981 . 12 1 1 A 73 73 SER CB C 73 62.573 63.346 -0.773 1
1 982 . 12 1 1 A 73 73 SER N N 73 115.022 116.695 -1.673 1
1 983 . 12 1 1 A 74 74 TYR H H 74 8.078 7.660 0.418 1
1 984 . 12 1 1 A 74 74 TYR HA H 74 5.168 4.606 0.562 1
1 991 . 12 1 1 A 74 74 TYR C C 74 178.436 178.490 -0.054 1
1 992 . 12 1 1 A 74 74 TYR CA C 74 58.023 61.345 -3.322 1
1 993 . 12 1 1 A 74 74 TYR CB C 74 37.835 38.412 -0.577 1
1 996 . 12 1 1 A 74 74 TYR N N 74 122.937 120.051 2.886 1
1 997 . 12 1 1 A 75 75 ILE H H 75 8.264 8.609 -0.345 1
1 998 . 12 1 1 A 75 75 ILE HA H 75 3.647 3.944 -0.297 1
1 1008 . 12 1 1 A 75 75 ILE C C 75 177.656 177.887 -0.231 1
1 1009 . 12 1 1 A 75 75 ILE CA C 75 66.349 65.523 0.826 1
1 1010 . 12 1 1 A 75 75 ILE CB C 75 37.494 37.426 0.068 1
1 1014 . 12 1 1 A 75 75 ILE N N 75 119.080 120.348 -1.268 1
1 1015 . 12 1 1 A 76 76 ARG H H 76 9.316 8.555 0.761 1
1 1016 . 12 1 1 A 76 76 ARG HA H 76 3.896 4.069 -0.173 1
1 1024 . 12 1 1 A 76 76 ARG C C 76 179.033 179.276 -0.243 1
1 1025 . 12 1 1 A 76 76 ARG CA C 76 60.536 59.729 0.807 1
1 1026 . 12 1 1 A 76 76 ARG CB C 76 30.238 30.019 0.219 1
1 1029 . 12 1 1 A 76 76 ARG N N 76 121.985 121.027 0.958 1
1 1031 . 12 1 1 A 77 77 ASN H H 77 8.003 8.730 -0.727 1
1 1032 . 12 1 1 A 77 77 ASN HA H 77 4.605 4.544 0.061 1
1 1037 . 12 1 1 A 77 77 ASN C C 77 177.146 177.281 -0.135 1
1 1038 . 12 1 1 A 77 77 ASN CA C 77 55.755 56.837 -1.082 1
1 1039 . 12 1 1 A 77 77 ASN CB C 77 38.857 40.188 -1.331 1
1 1040 . 12 1 1 A 77 77 ASN N N 77 117.750 117.786 -0.036 1
1 1042 . 12 1 1 A 78 78 ALA H H 78 8.082 7.623 0.459 1
1 1043 . 12 1 1 A 78 78 ALA HA H 78 2.351 2.879 -0.528 1
1 1047 . 12 1 1 A 78 78 ALA C C 78 181.084 179.682 1.402 1
1 1048 . 12 1 1 A 78 78 ALA CA C 78 54.703 54.318 0.385 1
1 1049 . 12 1 1 A 78 78 ALA CB C 78 16.121 17.977 -1.856 1
1 1050 . 12 1 1 A 78 78 ALA N N 78 124.770 120.962 3.808 1
1 1051 . 12 1 1 A 79 79 PHE H H 79 8.603 8.144 0.459 1
1 1052 . 12 1 1 A 79 79 PHE HA H 79 3.974 4.158 -0.184 1
1 1060 . 12 1 1 A 79 79 PHE C C 79 177.841 177.812 0.029 1
1 1061 . 12 1 1 A 79 79 PHE CA C 79 63.302 61.308 1.994 1
1 1062 . 12 1 1 A 79 79 PHE CB C 79 40.594 38.004 2.590 1
1 1066 . 12 1 1 A 79 79 PHE N N 79 116.847 115.778 1.069 1
1 1067 . 12 1 1 A 80 80 ASP H H 80 8.298 8.806 -0.508 1
1 1068 . 12 1 1 A 80 80 ASP HA H 80 4.620 4.208 0.412 1
1 1071 . 12 1 1 A 80 80 ASP C C 80 179.845 177.728 2.117 1
1 1072 . 12 1 1 A 80 80 ASP CA C 80 57.957 57.741 0.216 1
1 1073 . 12 1 1 A 80 80 ASP CB C 80 39.595 41.232 -1.637 1
1 1074 . 12 1 1 A 80 80 ASP N N 80 121.362 120.213 1.149 1
1 1075 . 12 1 1 A 81 81 ASP H H 81 8.051 7.861 0.190 1
1 1076 . 12 1 1 A 81 81 ASP HA H 81 4.724 4.640 0.084 1
1 1079 . 12 1 1 A 81 81 ASP C C 81 177.963 178.100 -0.137 1
1 1080 . 12 1 1 A 81 81 ASP CA C 81 57.537 57.074 0.463 1
1 1081 . 12 1 1 A 81 81 ASP CB C 81 39.463 41.153 -1.690 1
1 1082 . 12 1 1 A 81 81 ASP N N 81 122.166 119.043 3.123 1
1 1083 . 12 1 1 A 82 82 ALA H H 82 8.025 7.778 0.247 1
1 1084 . 12 1 1 A 82 82 ALA HA H 82 4.106 4.228 -0.122 1
1 1088 . 12 1 1 A 82 82 ALA C C 82 180.223 179.809 0.414 1
1 1089 . 12 1 1 A 82 82 ALA CA C 82 55.194 55.072 0.122 1
1 1090 . 12 1 1 A 82 82 ALA CB C 82 17.947 18.249 -0.302 1
1 1091 . 12 1 1 A 82 82 ALA N N 82 124.747 121.123 3.624 1
1 1092 . 12 1 1 A 83 83 ILE H H 83 8.327 8.288 0.039 1
1 1093 . 12 1 1 A 83 83 ILE HA H 83 4.235 3.912 0.323 1
1 1103 . 12 1 1 A 83 83 ILE C C 83 180.768 178.052 2.716 1
1 1104 . 12 1 1 A 83 83 ILE CA C 83 63.966 63.410 0.556 1
1 1105 . 12 1 1 A 83 83 ILE CB C 83 38.254 37.725 0.529 1
1 1109 . 12 1 1 A 83 83 ILE N N 83 120.907 118.936 1.971 1
1 1110 . 12 1 1 A 84 84 HIS H H 84 7.934 7.674 0.260 1
1 1111 . 12 1 1 A 84 84 HIS HA H 84 4.434 4.414 0.020 1
1 1116 . 12 1 1 A 84 84 HIS C C 84 178.250 177.153 1.097 1
1 1117 . 12 1 1 A 84 84 HIS CA C 84 59.042 58.858 0.184 1
1 1118 . 12 1 1 A 84 84 HIS CB C 84 28.750 29.770 -1.020 1
1 1121 . 12 1 1 A 84 84 HIS N N 84 121.346 121.028 0.318 1
1 1124 . 12 1 1 A 85 85 GLU H H 85 8.074 8.022 0.052 1
1 1125 . 12 1 1 A 85 85 GLU HA H 85 4.192 4.349 -0.157 1
1 1130 . 12 1 1 A 85 85 GLU C C 85 176.510 177.180 -0.670 1
1 1131 . 12 1 1 A 85 85 GLU CA C 85 56.512 56.285 0.227 1
1 1132 . 12 1 1 A 85 85 GLU CB C 85 30.284 30.621 -0.337 1
1 1134 . 12 1 1 A 85 85 GLU N N 85 115.467 116.541 -1.074 1
1 1135 . 12 1 1 A 86 86 GLY H H 86 7.715 7.802 -0.087 1
1 1136 . 12 1 1 A 86 86 GLY HA2 H 86 3.844 3.964 -0.120 1
1 1137 . 12 1 1 A 86 86 GLY HA3 H 86 4.136 3.978 0.158 1
1 1138 . 12 1 1 A 86 86 GLY C C 86 175.243 174.820 0.423 1
1 1139 . 12 1 1 A 86 86 GLY CA C 86 45.108 45.853 -0.745 1
1 1140 . 12 1 1 A 86 86 GLY N N 86 105.999 108.189 -2.190 1
1 1141 . 12 1 1 A 87 87 TYR H H 87 8.173 8.191 -0.018 1
1 1142 . 12 1 1 A 87 87 TYR HA H 87 4.396 4.242 0.154 1
1 1149 . 12 1 1 A 87 87 TYR CA C 87 59.317 61.122 -1.805 1
1 1150 . 12 1 1 A 87 87 TYR CB C 87 39.558 39.119 0.439 1
1 1153 . 12 1 1 A 87 87 TYR N N 87 118.412 121.675 -3.263 1
1 1154 . 12 1 1 A 88 88 VAL HA H 88 4.583 5.034 -0.451 1
1 1162 . 12 1 1 A 88 88 VAL CB C 88 36.112 35.551 0.561 1
1 1165 . 12 1 1 A 89 89 ILE HA H 89 4.426 4.518 -0.092 1
1 1175 . 12 1 1 A 89 89 ILE CA C 89 61.984 59.888 2.096 1
1 1176 . 12 1 1 A 89 89 ILE CB C 89 39.850 40.936 -1.086 1
1 1180 . 12 1 1 A 90 90 LYS H H 90 7.387 8.570 -1.183 1
1 1181 . 12 1 1 A 90 90 LYS HA H 90 4.508 3.542 0.966 1
1 1190 . 12 1 1 A 90 90 LYS C C 90 174.665 175.107 -0.442 1
1 1191 . 12 1 1 A 90 90 LYS CA C 90 54.111 56.847 -2.736 1
1 1192 . 12 1 1 A 90 90 LYS CB C 90 35.086 29.511 5.575 1
1 1196 . 12 1 1 A 91 91 ASN H H 91 8.803 7.756 1.047 1
1 1197 . 12 1 1 A 91 91 ASN HA H 91 4.279 4.614 -0.335 1
1 1202 . 12 1 1 A 91 91 ASN CB C 91 38.879 37.932 0.947 1
1 1203 . 12 1 1 A 91 91 ASN N N 91 120.903 115.116 5.787 1
1 1205 . 12 1 1 A 92 92 PRO HA H 92 4.206 4.132 0.074 1
1 1212 . 12 1 1 A 92 92 PRO C C 92 174.751 176.837 -2.086 1
1 1213 . 12 1 1 A 92 92 PRO CA C 92 63.927 64.246 -0.319 1
1 1214 . 12 1 1 A 92 92 PRO CB C 92 30.969 31.348 -0.379 1
1 1217 . 12 1 1 A 93 93 THR H H 93 7.441 7.457 -0.016 1
1 1218 . 12 1 1 A 93 93 THR HA H 93 4.093 4.290 -0.197 1
1 1224 . 12 1 1 A 93 93 THR C C 93 175.922 175.635 0.287 1
1 1225 . 12 1 1 A 93 93 THR CA C 93 62.221 62.597 -0.376 1
1 1226 . 12 1 1 A 93 93 THR CB C 93 69.463 68.720 0.743 1
1 1228 . 12 1 1 A 93 93 THR N N 93 105.991 108.877 -2.886 1
1 1229 . 12 1 1 A 94 94 TYR H H 94 7.139 7.828 -0.689 1
1 1230 . 12 1 1 A 94 94 TYR HA H 94 4.393 4.140 0.253 1
1 1237 . 12 1 1 A 94 94 TYR C C 94 176.180 175.261 0.919 1
1 1238 . 12 1 1 A 94 94 TYR CA C 94 58.272 61.250 -2.978 1
1 1239 . 12 1 1 A 94 94 TYR CB C 94 37.490 39.109 -1.619 1
1 1242 . 12 1 1 A 94 94 TYR N N 94 124.098 122.636 1.462 1
1 1243 . 12 1 1 A 95 95 LYS H H 95 8.904 8.005 0.899 1
1 1244 . 12 1 1 A 95 95 LYS HA H 95 3.758 4.718 -0.960 1
1 1253 . 12 1 1 A 95 95 LYS C C 95 175.547 175.056 0.491 1
1 1254 . 12 1 1 A 95 95 LYS CA C 95 57.078 55.131 1.947 1
1 1255 . 12 1 1 A 95 95 LYS CB C 95 29.962 33.795 -3.833 1
1 1259 . 12 1 1 A 95 95 LYS N N 95 121.317 115.879 5.438 1
1 1260 . 12 1 1 A 96 96 ALA H H 96 7.583 8.936 -1.353 1
1 1261 . 12 1 1 A 96 96 ALA HA H 96 4.157 5.338 -1.181 1
1 1265 . 12 1 1 A 96 96 ALA C C 96 177.630 175.557 2.073 1
1 1266 . 12 1 1 A 96 96 ALA CA C 96 53.298 50.547 2.751 1
1 1267 . 12 1 1 A 96 96 ALA CB C 96 18.807 22.651 -3.844 1
1 1268 . 12 1 1 A 96 96 ALA N N 96 121.832 126.370 -4.538 1
1 1269 . 12 1 1 A 97 97 GLU H H 97 9.243 9.163 0.080 1
1 1270 . 12 1 1 A 97 97 GLU HA H 97 4.347 5.032 -0.685 1
1 1275 . 12 1 1 A 97 97 GLU C C 97 175.890 174.756 1.134 1
1 1276 . 12 1 1 A 97 97 GLU CA C 97 55.198 54.589 0.609 1
1 1277 . 12 1 1 A 97 97 GLU CB C 97 30.931 33.606 -2.675 1
1 1279 . 12 1 1 A 97 97 GLU N N 97 121.989 119.141 2.848 1
1 1280 . 12 1 1 A 98 98 LEU H H 98 8.401 9.120 -0.719 1
1 1281 . 12 1 1 A 98 98 LEU HA H 98 4.277 4.747 -0.470 1
1 1291 . 12 1 1 A 98 98 LEU C C 98 175.738 174.999 0.739 1
1 1292 . 12 1 1 A 98 98 LEU CA C 98 54.337 53.717 0.620 1
1 1293 . 12 1 1 A 98 98 LEU CB C 98 41.634 42.011 -0.377 1
1 1297 . 12 1 1 A 98 98 LEU N N 98 123.414 124.897 -1.483 1
1 1298 . 12 1 1 A 99 99 HIS H H 99 8.749 9.067 -0.318 1
1 1299 . 12 1 1 A 99 99 HIS HA H 99 4.706 5.049 -0.343 1
1 1304 . 12 1 1 A 99 99 HIS C C 99 173.912 173.497 0.415 1
1 1305 . 12 1 1 A 99 99 HIS CA C 99 55.183 54.068 1.115 1
1 1306 . 12 1 1 A 99 99 HIS CB C 99 29.916 29.553 0.363 1
1 1309 . 12 1 1 A 99 99 HIS N N 99 121.129 125.753 -4.624 1
1 1312 . 12 1 1 A 100 100 ALA H H 100 8.369 8.094 0.275 1
1 1313 . 12 1 1 A 100 100 ALA HA H 100 4.518 4.986 -0.468 1
1 1317 . 12 1 1 A 100 100 ALA C C 100 177.533 177.697 -0.164 1
1 1318 . 12 1 1 A 100 100 ALA CA C 100 51.753 50.745 1.008 1
1 1319 . 12 1 1 A 100 100 ALA CB C 100 20.081 20.338 -0.257 1
1 1320 . 12 1 1 A 100 100 ALA N N 100 125.646 129.343 -3.697 1
1 1321 . 12 1 1 A 101 101 SER H H 101 8.357 8.558 -0.201 1
1 1322 . 12 1 1 A 101 101 SER HA H 101 4.452 4.437 0.015 1
1 1325 . 12 1 1 A 101 101 SER C C 101 174.729 174.728 0.001 1
1 1326 . 12 1 1 A 101 101 SER CA C 101 58.781 59.128 -0.347 1
1 1327 . 12 1 1 A 101 101 SER CB C 101 63.865 64.035 -0.170 1
1 1328 . 12 1 1 A 101 101 SER N N 101 115.505 118.154 -2.649 1
1 1329 . 12 1 1 A 102 102 VAL H H 102 7.884 7.039 0.845 1
1 1330 . 12 1 1 A 102 102 VAL HA H 102 4.111 4.133 -0.022 1
1 1338 . 12 1 1 A 102 102 VAL C C 102 175.837 174.924 0.913 1
1 1339 . 12 1 1 A 102 102 VAL CA C 102 62.237 62.260 -0.023 1
1 1340 . 12 1 1 A 102 102 VAL CB C 102 32.336 29.472 2.864 1
1 1343 . 12 1 1 A 102 102 VAL N N 102 120.880 121.194 -0.314 1
1 1344 . 12 1 1 A 103 103 LEU H H 103 8.170 7.957 0.213 1
1 1345 . 12 1 1 A 103 103 LEU HA H 103 4.299 4.868 -0.569 1
1 1355 . 12 1 1 A 103 103 LEU C C 103 177.129 175.620 1.509 1
1 1356 . 12 1 1 A 103 103 LEU CA C 103 54.999 54.321 0.678 1
1 1357 . 12 1 1 A 103 103 LEU CB C 103 42.276 44.155 -1.879 1
1 1361 . 12 1 1 A 103 103 LEU N N 103 124.757 126.784 -2.027 1
1 1362 . 12 1 1 A 104 104 GLU H H 104 8.244 8.465 -0.221 1
1 1363 . 12 1 1 A 104 104 GLU HA H 104 4.175 4.697 -0.522 1
1 1368 . 12 1 1 A 104 104 GLU C C 104 176.153 176.170 -0.017 1
1 1369 . 12 1 1 A 104 104 GLU CA C 104 56.413 54.986 1.427 1
1 1370 . 12 1 1 A 104 104 GLU CB C 104 30.270 31.631 -1.361 1
1 1372 . 12 1 1 A 104 104 GLU N N 104 121.146 124.885 -3.739 1
1 1373 . 12 1 1 A 105 105 HIS H H 105 8.242 8.895 -0.653 1
1 1376 . 12 1 1 A 105 105 HIS C C 105 174.967 175.736 -0.769 1
1 1377 . 12 1 1 A 105 105 HIS CA C 105 56.137 57.123 -0.986 1
1 1378 . 12 1 1 A 105 105 HIS CB C 105 30.290 31.702 -1.412 1
1 13 . 13 1 1 A 2 2 ILE HA H 2 4.615 4.820 -0.205 1
1 23 . 13 1 1 A 2 2 ILE C C 2 175.630 175.491 0.139 1
1 24 . 13 1 1 A 2 2 ILE CA C 2 60.619 59.764 0.855 1
1 25 . 13 1 1 A 2 2 ILE CB C 2 40.542 40.337 0.205 1
1 29 . 13 1 1 A 3 3 THR H H 3 9.133 8.478 0.655 1
1 30 . 13 1 1 A 3 3 THR HA H 3 4.656 4.503 0.153 1
1 36 . 13 1 1 A 3 3 THR C C 3 174.729 175.627 -0.898 1
1 37 . 13 1 1 A 3 3 THR CA C 3 61.509 61.829 -0.320 1
1 38 . 13 1 1 A 3 3 THR CB C 3 69.896 70.125 -0.229 1
1 40 . 13 1 1 A 3 3 THR N N 3 119.091 117.902 1.189 1
1 41 . 13 1 1 A 4 4 PHE H H 4 8.642 9.621 -0.979 1
1 42 . 13 1 1 A 4 4 PHE HA H 4 4.576 4.009 0.567 1
1 50 . 13 1 1 A 4 4 PHE C C 4 176.302 177.339 -1.037 1
1 51 . 13 1 1 A 4 4 PHE CA C 4 58.368 62.633 -4.265 1
1 52 . 13 1 1 A 4 4 PHE CB C 4 37.526 39.340 -1.814 1
1 56 . 13 1 1 A 4 4 PHE N N 4 122.510 123.004 -0.494 1
1 57 . 13 1 1 A 5 5 ALA H H 5 9.195 8.344 0.851 1
1 58 . 13 1 1 A 5 5 ALA HA H 5 3.692 4.061 -0.369 1
1 62 . 13 1 1 A 5 5 ALA C C 5 178.210 179.546 -1.336 1
1 63 . 13 1 1 A 5 5 ALA CA C 5 56.073 55.322 0.751 1
1 64 . 13 1 1 A 5 5 ALA CB C 5 17.897 18.409 -0.512 1
1 65 . 13 1 1 A 5 5 ALA N N 5 120.106 121.493 -1.387 1
1 66 . 13 1 1 A 6 6 ASP H H 6 7.978 8.340 -0.362 1
1 67 . 13 1 1 A 6 6 ASP HA H 6 4.615 4.563 0.052 1
1 70 . 13 1 1 A 6 6 ASP C C 6 179.370 178.124 1.246 1
1 71 . 13 1 1 A 6 6 ASP CA C 6 57.369 57.299 0.070 1
1 72 . 13 1 1 A 6 6 ASP CB C 6 39.556 40.954 -1.398 1
1 73 . 13 1 1 A 6 6 ASP N N 6 115.486 118.574 -3.088 1
1 74 . 13 1 1 A 7 7 TYR H H 7 8.776 8.217 0.559 1
1 75 . 13 1 1 A 7 7 TYR HA H 7 3.984 4.287 -0.303 1
1 82 . 13 1 1 A 7 7 TYR C C 7 176.232 177.399 -1.167 1
1 83 . 13 1 1 A 7 7 TYR CA C 7 62.241 61.476 0.765 1
1 84 . 13 1 1 A 7 7 TYR CB C 7 38.521 38.301 0.220 1
1 87 . 13 1 1 A 7 7 TYR N N 7 120.885 120.715 0.170 1
1 88 . 13 1 1 A 8 8 PHE H H 8 9.024 8.383 0.641 1
1 89 . 13 1 1 A 8 8 PHE HA H 8 3.732 4.080 -0.348 1
1 97 . 13 1 1 A 8 8 PHE C C 8 176.261 176.874 -0.613 1
1 98 . 13 1 1 A 8 8 PHE CA C 8 62.936 61.941 0.995 1
1 99 . 13 1 1 A 8 8 PHE CB C 8 39.553 38.836 0.717 1
1 103 . 13 1 1 A 8 8 PHE N N 8 118.754 120.838 -2.084 1
1 104 . 13 1 1 A 9 9 TYR H H 9 8.202 8.127 0.075 1
1 105 . 13 1 1 A 9 9 TYR HA H 9 3.742 4.020 -0.278 1
1 112 . 13 1 1 A 9 9 TYR C C 9 176.496 177.175 -0.679 1
1 113 . 13 1 1 A 9 9 TYR CA C 9 62.939 61.329 1.610 1
1 114 . 13 1 1 A 9 9 TYR CB C 9 37.941 37.927 0.014 1
1 117 . 13 1 1 A 9 9 TYR N N 9 117.271 120.186 -2.915 1
1 118 . 13 1 1 A 10 10 GLN H H 10 8.029 8.206 -0.177 1
1 119 . 13 1 1 A 10 10 GLN HA H 10 3.928 3.939 -0.011 1
1 126 . 13 1 1 A 10 10 GLN C C 10 177.393 177.735 -0.342 1
1 127 . 13 1 1 A 10 10 GLN CA C 10 58.717 58.347 0.370 1
1 128 . 13 1 1 A 10 10 GLN CB C 10 28.482 28.665 -0.183 1
1 130 . 13 1 1 A 10 10 GLN N N 10 117.935 117.747 0.188 1
1 132 . 13 1 1 A 11 11 TRP H H 11 8.772 8.348 0.424 1
1 133 . 13 1 1 A 11 11 TRP HA H 11 3.690 4.120 -0.430 1
1 142 . 13 1 1 A 11 11 TRP C C 11 178.487 177.517 0.970 1
1 143 . 13 1 1 A 11 11 TRP CA C 11 61.256 60.568 0.688 1
1 144 . 13 1 1 A 11 11 TRP CB C 11 27.472 29.074 -1.602 1
1 150 . 13 1 1 A 11 11 TRP N N 11 121.577 121.923 -0.346 1
1 152 . 13 1 1 A 12 12 TYR H H 12 8.168 7.927 0.241 1
1 153 . 13 1 1 A 12 12 TYR HA H 12 2.938 3.123 -0.185 1
1 160 . 13 1 1 A 12 12 TYR C C 12 177.277 176.732 0.545 1
1 161 . 13 1 1 A 12 12 TYR CA C 12 59.178 60.785 -1.607 1
1 162 . 13 1 1 A 12 12 TYR CB C 12 36.729 38.024 -1.295 1
1 165 . 13 1 1 A 12 12 TYR N N 12 121.811 121.344 0.467 1
1 166 . 13 1 1 A 13 13 GLU H H 13 8.434 8.057 0.377 1
1 167 . 13 1 1 A 13 13 GLU HA H 13 2.996 3.286 -0.290 1
1 172 . 13 1 1 A 13 13 GLU C C 13 177.157 178.948 -1.791 1
1 173 . 13 1 1 A 13 13 GLU CA C 13 59.164 58.933 0.231 1
1 174 . 13 1 1 A 13 13 GLU CB C 13 29.447 29.204 0.243 1
1 176 . 13 1 1 A 13 13 GLU N N 13 123.599 118.959 4.640 1
1 177 . 13 1 1 A 14 14 VAL H H 14 7.605 7.509 0.096 1
1 178 . 13 1 1 A 14 14 VAL HA H 14 3.562 3.408 0.154 1
1 186 . 13 1 1 A 14 14 VAL C C 14 177.289 176.870 0.419 1
1 187 . 13 1 1 A 14 14 VAL CA C 14 64.338 66.066 -1.728 1
1 188 . 13 1 1 A 14 14 VAL CB C 14 32.669 31.351 1.318 1
1 191 . 13 1 1 A 14 14 VAL N N 14 113.566 119.240 -5.674 1
1 192 . 13 1 1 A 15 15 ASN H H 15 7.482 7.234 0.248 1
1 193 . 13 1 1 A 15 15 ASN HA H 15 4.429 4.660 -0.231 1
1 198 . 13 1 1 A 15 15 ASN C C 15 175.201 176.332 -1.131 1
1 199 . 13 1 1 A 15 15 ASN CA C 15 55.218 53.707 1.511 1
1 200 . 13 1 1 A 15 15 ASN CB C 15 39.927 38.974 0.953 1
1 201 . 13 1 1 A 15 15 ASN N N 15 112.195 117.002 -4.807 1
1 203 . 13 1 1 A 16 16 LYS H H 16 7.413 7.338 0.075 1
1 204 . 13 1 1 A 16 16 LYS HA H 16 4.338 4.060 0.278 1
1 213 . 13 1 1 A 16 16 LYS C C 16 175.309 178.199 -2.890 1
1 214 . 13 1 1 A 16 16 LYS CA C 16 54.807 57.352 -2.545 1
1 215 . 13 1 1 A 16 16 LYS CB C 16 32.665 32.162 0.503 1
1 219 . 13 1 1 A 16 16 LYS N N 16 115.814 118.437 -2.623 1
1 220 . 13 1 1 A 17 17 LEU H H 17 7.490 7.282 0.208 1
1 221 . 13 1 1 A 17 17 LEU HA H 17 3.603 3.427 0.176 1
1 231 . 13 1 1 A 17 17 LEU C C 17 173.754 175.648 -1.894 1
1 232 . 13 1 1 A 17 17 LEU CA C 17 59.847 59.535 0.312 1
1 233 . 13 1 1 A 17 17 LEU CB C 17 39.552 39.462 0.090 1
1 237 . 13 1 1 A 17 17 LEU N N 17 121.586 121.364 0.222 1
1 238 . 13 1 1 A 18 18 PRO HA H 18 4.107 4.189 -0.082 1
1 245 . 13 1 1 A 18 18 PRO C C 18 176.412 176.887 -0.475 1
1 246 . 13 1 1 A 18 18 PRO CA C 18 64.656 64.065 0.591 1
1 247 . 13 1 1 A 18 18 PRO CB C 18 30.980 31.624 -0.644 1
1 250 . 13 1 1 A 19 19 HIS H H 19 7.631 7.706 -0.075 1
1 251 . 13 1 1 A 19 19 HIS HA H 19 4.857 4.531 0.326 1
1 256 . 13 1 1 A 19 19 HIS C C 19 175.822 175.188 0.634 1
1 257 . 13 1 1 A 19 19 HIS CA C 19 55.004 56.828 -1.824 1
1 258 . 13 1 1 A 19 19 HIS CB C 19 32.358 31.415 0.943 1
1 260 . 13 1 1 A 19 19 HIS N N 19 111.190 115.494 -4.304 1
1 263 . 13 1 1 A 20 20 VAL H H 20 7.124 7.557 -0.433 1
1 264 . 13 1 1 A 20 20 VAL HA H 20 4.728 4.157 0.571 1
1 272 . 13 1 1 A 20 20 VAL C C 20 175.497 175.840 -0.343 1
1 273 . 13 1 1 A 20 20 VAL CA C 20 60.134 61.546 -1.412 1
1 274 . 13 1 1 A 20 20 VAL CB C 20 34.199 33.008 1.191 1
1 277 . 13 1 1 A 20 20 VAL N N 20 112.191 116.585 -4.394 1
1 278 . 13 1 1 A 21 21 SER H H 21 8.589 9.028 -0.439 1
1 279 . 13 1 1 A 21 21 SER HA H 21 4.531 4.575 -0.044 1
1 282 . 13 1 1 A 21 21 SER C C 21 174.840 176.078 -1.238 1
1 283 . 13 1 1 A 21 21 SER CA C 21 57.236 58.009 -0.773 1
1 284 . 13 1 1 A 21 21 SER CB C 21 65.251 64.349 0.902 1
1 285 . 13 1 1 A 21 21 SER N N 21 116.825 120.459 -3.634 1
1 286 . 13 1 1 A 22 22 GLU H H 22 8.964 9.095 -0.131 1
1 287 . 13 1 1 A 22 22 GLU HA H 22 3.922 4.141 -0.219 1
1 292 . 13 1 1 A 22 22 GLU C C 22 178.606 178.787 -0.181 1
1 293 . 13 1 1 A 22 22 GLU CA C 22 59.837 59.163 0.674 1
1 294 . 13 1 1 A 22 22 GLU CB C 22 29.239 29.108 0.131 1
1 296 . 13 1 1 A 22 22 GLU N N 22 120.863 123.158 -2.295 1
1 297 . 13 1 1 A 23 23 SER H H 23 8.426 8.198 0.228 1
1 298 . 13 1 1 A 23 23 SER HA H 23 4.151 4.233 -0.082 1
1 301 . 13 1 1 A 23 23 SER C C 23 176.977 176.554 0.423 1
1 302 . 13 1 1 A 23 23 SER CA C 23 61.220 62.574 -1.354 1
1 303 . 13 1 1 A 23 23 SER CB C 23 62.252 63.279 -1.027 1
1 304 . 13 1 1 A 23 23 SER N N 23 112.196 117.702 -5.506 1
1 305 . 13 1 1 A 24 24 THR H H 24 7.749 8.163 -0.414 1
1 306 . 13 1 1 A 24 24 THR HA H 24 4.163 4.148 0.015 1
1 311 . 13 1 1 A 24 24 THR C C 24 176.523 177.134 -0.611 1
1 312 . 13 1 1 A 24 24 THR CA C 24 66.045 66.377 -0.332 1
1 313 . 13 1 1 A 24 24 THR CB C 24 68.305 68.413 -0.108 1
1 315 . 13 1 1 A 24 24 THR N N 24 120.348 117.624 2.724 1
1 316 . 13 1 1 A 25 25 LYS H H 25 8.605 8.311 0.294 1
1 317 . 13 1 1 A 25 25 LYS HA H 25 4.064 4.045 0.019 1
1 326 . 13 1 1 A 25 25 LYS C C 25 178.447 180.175 -1.728 1
1 327 . 13 1 1 A 25 25 LYS CA C 25 61.087 60.229 0.858 1
1 328 . 13 1 1 A 25 25 LYS CB C 25 32.717 32.284 0.433 1
1 332 . 13 1 1 A 25 25 LYS N N 25 123.593 120.619 2.974 1
1 333 . 13 1 1 A 26 26 ARG H H 26 7.485 8.012 -0.527 1
1 334 . 13 1 1 A 26 26 ARG HA H 26 4.146 4.191 -0.045 1
1 341 . 13 1 1 A 26 26 ARG C C 26 179.845 179.406 0.439 1
1 342 . 13 1 1 A 26 26 ARG CA C 26 58.916 59.553 -0.637 1
1 343 . 13 1 1 A 26 26 ARG CB C 26 30.384 30.063 0.321 1
1 346 . 13 1 1 A 26 26 ARG N N 26 114.116 119.338 -5.222 1
1 347 . 13 1 1 A 27 27 HIS H H 27 7.677 8.225 -0.548 1
1 348 . 13 1 1 A 27 27 HIS HA H 27 4.757 4.423 0.334 1
1 353 . 13 1 1 A 27 27 HIS C C 27 179.743 177.521 2.222 1
1 354 . 13 1 1 A 27 27 HIS CA C 27 58.659 59.164 -0.505 1
1 355 . 13 1 1 A 27 27 HIS CB C 27 30.967 30.025 0.942 1
1 358 . 13 1 1 A 27 27 HIS N N 27 119.389 118.758 0.631 1
1 361 . 13 1 1 A 28 28 TYR H H 28 8.119 7.938 0.181 1
1 362 . 13 1 1 A 28 28 TYR HA H 28 4.009 4.129 -0.120 1
1 369 . 13 1 1 A 28 28 TYR C C 28 178.685 178.470 0.215 1
1 370 . 13 1 1 A 28 28 TYR CA C 28 63.311 62.012 1.299 1
1 371 . 13 1 1 A 28 28 TYR CB C 28 38.879 37.299 1.580 1
1 374 . 13 1 1 A 28 28 TYR N N 28 121.786 117.437 4.349 1
1 375 . 13 1 1 A 29 29 GLU H H 29 8.631 9.096 -0.465 1
1 376 . 13 1 1 A 29 29 GLU HA H 29 4.067 4.124 -0.057 1
1 381 . 13 1 1 A 29 29 GLU C C 29 179.950 178.751 1.199 1
1 382 . 13 1 1 A 29 29 GLU CA C 29 59.827 60.117 -0.290 1
1 383 . 13 1 1 A 29 29 GLU CB C 29 29.172 29.247 -0.075 1
1 385 . 13 1 1 A 29 29 GLU N N 29 119.090 119.820 -0.730 1
1 386 . 13 1 1 A 30 30 SER H H 30 8.307 8.225 0.082 1
1 387 . 13 1 1 A 30 30 SER HA H 30 4.467 4.245 0.222 1
1 390 . 13 1 1 A 30 30 SER C C 30 177.445 176.468 0.977 1
1 391 . 13 1 1 A 30 30 SER CA C 30 61.068 62.019 -0.951 1
1 392 . 13 1 1 A 30 30 SER CB C 30 63.054 62.824 0.230 1
1 393 . 13 1 1 A 30 30 SER N N 30 115.027 117.227 -2.200 1
1 394 . 13 1 1 A 31 31 ALA H H 31 8.319 7.686 0.633 1
1 395 . 13 1 1 A 31 31 ALA HA H 31 4.070 4.284 -0.214 1
1 399 . 13 1 1 A 31 31 ALA C C 31 178.488 179.236 -0.748 1
1 400 . 13 1 1 A 31 31 ALA CA C 31 55.926 55.057 0.869 1
1 401 . 13 1 1 A 31 31 ALA CB C 31 18.510 18.497 0.013 1
1 402 . 13 1 1 A 31 31 ALA N N 31 124.966 123.948 1.018 1
1 403 . 13 1 1 A 32 32 TYR H H 32 8.537 8.894 -0.357 1
1 404 . 13 1 1 A 32 32 TYR HA H 32 4.114 4.278 -0.164 1
1 411 . 13 1 1 A 32 32 TYR C C 32 175.705 177.869 -2.164 1
1 412 . 13 1 1 A 32 32 TYR CA C 32 60.480 62.198 -1.718 1
1 413 . 13 1 1 A 32 32 TYR CB C 32 37.864 39.234 -1.370 1
1 416 . 13 1 1 A 32 32 TYR N N 32 116.814 120.276 -3.462 1
1 417 . 13 1 1 A 33 33 LYS H H 33 7.988 8.135 -0.147 1
1 418 . 13 1 1 A 33 33 LYS HA H 33 3.513 3.878 -0.365 1
1 427 . 13 1 1 A 33 33 LYS C C 33 178.474 179.550 -1.076 1
1 428 . 13 1 1 A 33 33 LYS CA C 33 59.810 59.375 0.435 1
1 429 . 13 1 1 A 33 33 LYS CB C 33 32.000 32.014 -0.014 1
1 433 . 13 1 1 A 33 33 LYS N N 33 119.358 118.043 1.315 1
1 434 . 13 1 1 A 34 34 HIS H H 34 8.187 7.705 0.482 1
1 435 . 13 1 1 A 34 34 HIS HA H 34 4.449 4.625 -0.176 1
1 440 . 13 1 1 A 34 34 HIS C C 34 178.948 178.135 0.813 1
1 441 . 13 1 1 A 34 34 HIS CA C 34 60.883 60.490 0.393 1
1 442 . 13 1 1 A 34 34 HIS CB C 34 28.843 31.303 -2.460 1
1 445 . 13 1 1 A 34 34 HIS N N 34 116.156 118.567 -2.411 1
1 448 . 13 1 1 A 35 35 ILE H H 35 8.676 8.569 0.107 1
1 449 . 13 1 1 A 35 35 ILE HA H 35 3.513 3.507 0.006 1
1 459 . 13 1 1 A 35 35 ILE C C 35 177.630 178.565 -0.935 1
1 460 . 13 1 1 A 35 35 ILE CA C 35 65.690 65.290 0.400 1
1 461 . 13 1 1 A 35 35 ILE CB C 35 38.481 37.674 0.807 1
1 465 . 13 1 1 A 35 35 ILE N N 35 121.824 120.576 1.248 1
1 466 . 13 1 1 A 36 36 LYS H H 36 8.797 8.626 0.171 1
1 467 . 13 1 1 A 36 36 LYS HA H 36 3.712 4.260 -0.548 1
1 476 . 13 1 1 A 36 36 LYS C C 36 179.397 178.434 0.963 1
1 477 . 13 1 1 A 36 36 LYS CA C 36 59.860 58.813 1.047 1
1 478 . 13 1 1 A 36 36 LYS CB C 36 31.878 31.433 0.445 1
1 482 . 13 1 1 A 36 36 LYS N N 36 121.589 120.494 1.095 1
1 483 . 13 1 1 A 37 37 ASP H H 37 8.246 7.921 0.325 1
1 484 . 13 1 1 A 37 37 ASP HA H 37 4.336 4.344 -0.008 1
1 487 . 13 1 1 A 37 37 ASP C C 37 177.234 178.261 -1.027 1
1 488 . 13 1 1 A 37 37 ASP CA C 37 56.932 57.170 -0.238 1
1 489 . 13 1 1 A 37 37 ASP CB C 37 40.576 41.453 -0.877 1
1 490 . 13 1 1 A 37 37 ASP N N 37 118.225 120.824 -2.599 1
1 491 . 13 1 1 A 38 38 HIS H H 38 7.867 7.621 0.246 1
1 492 . 13 1 1 A 38 38 HIS HA H 38 4.284 4.342 -0.058 1
1 496 . 13 1 1 A 38 38 HIS C C 38 176.839 174.907 1.932 1
1 497 . 13 1 1 A 38 38 HIS CA C 38 59.389 58.675 0.714 1
1 498 . 13 1 1 A 38 38 HIS CB C 38 31.630 31.193 0.437 1
1 500 . 13 1 1 A 38 38 HIS N N 38 115.487 115.319 0.168 1
1 501 . 13 1 1 A 39 39 PHE H H 39 9.082 8.845 0.237 1
1 502 . 13 1 1 A 39 39 PHE HA H 39 4.369 4.909 -0.540 1
1 510 . 13 1 1 A 39 39 PHE C C 39 175.890 175.304 0.586 1
1 511 . 13 1 1 A 39 39 PHE CA C 39 60.159 56.403 3.756 1
1 512 . 13 1 1 A 39 39 PHE CB C 39 38.850 38.828 0.022 1
1 516 . 13 1 1 A 39 39 PHE N N 39 114.327 115.785 -1.458 1
1 517 . 13 1 1 A 40 40 ARG H H 40 8.104 8.820 -0.716 1
1 518 . 13 1 1 A 40 40 ARG HA H 40 3.921 4.601 -0.680 1
1 525 . 13 1 1 A 40 40 ARG C C 40 176.892 177.878 -0.986 1
1 526 . 13 1 1 A 40 40 ARG CA C 40 58.009 57.945 0.064 1
1 527 . 13 1 1 A 40 40 ARG CB C 40 27.531 31.490 -3.959 1
1 530 . 13 1 1 A 40 40 ARG N N 40 118.379 124.942 -6.563 1
1 531 . 13 1 1 A 41 41 HIS H H 41 8.589 8.230 0.359 1
1 532 . 13 1 1 A 41 41 HIS HA H 41 4.910 4.903 0.007 1
1 536 . 13 1 1 A 41 41 HIS C C 41 174.835 174.814 0.021 1
1 537 . 13 1 1 A 41 41 HIS CA C 41 55.473 55.201 0.272 1
1 538 . 13 1 1 A 41 41 HIS CB C 41 29.720 30.053 -0.333 1
1 540 . 13 1 1 A 41 41 HIS N N 41 123.828 113.038 10.790 1
1 541 . 13 1 1 A 42 42 LYS H H 42 8.326 7.848 0.478 1
1 542 . 13 1 1 A 42 42 LYS HA H 42 4.181 4.621 -0.440 1
1 551 . 13 1 1 A 42 42 LYS C C 42 177.973 176.561 1.412 1
1 552 . 13 1 1 A 42 42 LYS CA C 42 58.201 55.888 2.313 1
1 553 . 13 1 1 A 42 42 LYS CB C 42 33.047 33.905 -0.858 1
1 557 . 13 1 1 A 42 42 LYS N N 42 121.129 121.842 -0.713 1
1 558 . 13 1 1 A 43 43 LEU H H 43 9.243 8.591 0.652 1
1 559 . 13 1 1 A 43 43 LEU HA H 43 4.346 4.545 -0.199 1
1 569 . 13 1 1 A 43 43 LEU C C 43 177.840 178.517 -0.677 1
1 570 . 13 1 1 A 43 43 LEU CA C 43 55.420 54.525 0.895 1
1 571 . 13 1 1 A 43 43 LEU CB C 43 40.936 42.812 -1.876 1
1 575 . 13 1 1 A 43 43 LEU N N 43 124.529 127.986 -3.457 1
1 576 . 13 1 1 A 44 44 LEU H H 44 8.404 8.746 -0.342 1
1 577 . 13 1 1 A 44 44 LEU HA H 44 3.681 4.029 -0.348 1
1 587 . 13 1 1 A 44 44 LEU C C 44 177.962 177.709 0.253 1
1 588 . 13 1 1 A 44 44 LEU CA C 44 58.773 58.391 0.382 1
1 589 . 13 1 1 A 44 44 LEU CB C 44 42.661 40.911 1.750 1
1 593 . 13 1 1 A 44 44 LEU N N 44 123.643 125.324 -1.681 1
1 594 . 13 1 1 A 45 45 LYS HA H 45 4.126 4.241 -0.115 1
1 603 . 13 1 1 A 45 45 LYS C C 45 175.533 177.035 -1.502 1
1 604 . 13 1 1 A 45 45 LYS CA C 45 57.405 57.447 -0.042 1
1 605 . 13 1 1 A 45 45 LYS CB C 45 31.650 32.506 -0.856 1
1 609 . 13 1 1 A 46 46 ASP H H 46 7.520 8.038 -0.518 1
1 610 . 13 1 1 A 46 46 ASP HA H 46 4.888 4.728 0.160 1
1 613 . 13 1 1 A 46 46 ASP C C 46 175.811 176.337 -0.526 1
1 614 . 13 1 1 A 46 46 ASP CA C 46 54.268 53.671 0.597 1
1 615 . 13 1 1 A 46 46 ASP CB C 46 42.178 41.110 1.068 1
1 616 . 13 1 1 A 46 46 ASP N N 46 118.587 119.565 -0.978 1
1 617 . 13 1 1 A 47 47 ILE H H 47 6.965 7.252 -0.287 1
1 618 . 13 1 1 A 47 47 ILE HA H 47 4.048 4.030 0.018 1
1 628 . 13 1 1 A 47 47 ILE C C 47 175.362 174.986 0.376 1
1 629 . 13 1 1 A 47 47 ILE CA C 47 59.826 60.788 -0.962 1
1 630 . 13 1 1 A 47 47 ILE CB C 47 34.389 37.113 -2.724 1
1 634 . 13 1 1 A 47 47 ILE N N 47 119.126 122.132 -3.006 1
1 635 . 13 1 1 A 48 48 LYS H H 48 8.489 8.830 -0.341 1
1 636 . 13 1 1 A 48 48 LYS HA H 48 4.635 4.349 0.286 1
1 645 . 13 1 1 A 48 48 LYS C C 48 177.252 177.916 -0.664 1
1 646 . 13 1 1 A 48 48 LYS CA C 48 54.357 56.186 -1.829 1
1 647 . 13 1 1 A 48 48 LYS CB C 48 34.753 33.000 1.753 1
1 651 . 13 1 1 A 48 48 LYS N N 48 127.892 128.334 -0.442 1
1 652 . 13 1 1 A 49 49 ARG H H 49 8.816 8.730 0.086 1
1 653 . 13 1 1 A 49 49 ARG HA H 49 4.314 4.243 0.071 1
1 660 . 13 1 1 A 49 49 ARG C C 49 178.464 178.294 0.170 1
1 661 . 13 1 1 A 49 49 ARG CA C 49 60.341 58.839 1.502 1
1 662 . 13 1 1 A 49 49 ARG CB C 49 30.197 29.941 0.256 1
1 665 . 13 1 1 A 49 49 ARG N N 49 122.736 123.310 -0.574 1
1 666 . 13 1 1 A 50 50 THR H H 50 8.269 8.091 0.178 1
1 667 . 13 1 1 A 50 50 THR HA H 50 4.079 3.894 0.185 1
1 672 . 13 1 1 A 50 50 THR C C 50 177.316 177.188 0.128 1
1 673 . 13 1 1 A 50 50 THR CA C 50 65.501 67.287 -1.786 1
1 674 . 13 1 1 A 50 50 THR CB C 50 67.951 68.210 -0.259 1
1 676 . 13 1 1 A 50 50 THR N N 50 110.696 117.359 -6.663 1
1 677 . 13 1 1 A 51 51 GLU H H 51 7.260 8.295 -1.035 1
1 678 . 13 1 1 A 51 51 GLU HA H 51 4.239 4.050 0.189 1
1 683 . 13 1 1 A 51 51 GLU C C 51 179.621 179.045 0.576 1
1 684 . 13 1 1 A 51 51 GLU CA C 51 58.921 61.213 -2.292 1
1 685 . 13 1 1 A 51 51 GLU CB C 51 29.916 29.313 0.603 1
1 687 . 13 1 1 A 51 51 GLU N N 51 121.344 120.197 1.147 1
1 688 . 13 1 1 A 52 52 TYR H H 52 8.678 8.564 0.114 1
1 689 . 13 1 1 A 52 52 TYR HA H 52 4.376 4.389 -0.013 1
1 697 . 13 1 1 A 52 52 TYR C C 52 176.120 177.724 -1.604 1
1 698 . 13 1 1 A 52 52 TYR CA C 52 62.660 61.881 0.779 1
1 699 . 13 1 1 A 52 52 TYR CB C 52 38.206 38.026 0.180 1
1 702 . 13 1 1 A 52 52 TYR N N 52 122.483 121.716 0.767 1
1 703 . 13 1 1 A 53 53 GLN H H 53 8.801 8.386 0.415 1
1 704 . 13 1 1 A 53 53 GLN HA H 53 3.721 3.879 -0.158 1
1 711 . 13 1 1 A 53 53 GLN C C 53 177.894 178.176 -0.282 1
1 712 . 13 1 1 A 53 53 GLN CA C 53 58.111 58.727 -0.616 1
1 713 . 13 1 1 A 53 53 GLN CB C 53 28.909 28.478 0.431 1
1 715 . 13 1 1 A 53 53 GLN N N 53 118.817 118.544 0.273 1
1 717 . 13 1 1 A 54 54 LYS H H 54 7.685 7.698 -0.013 1
1 718 . 13 1 1 A 54 54 LYS HA H 54 4.051 4.037 0.014 1
1 727 . 13 1 1 A 54 54 LYS C C 54 178.918 178.926 -0.008 1
1 728 . 13 1 1 A 54 54 LYS CA C 54 59.845 59.385 0.460 1
1 729 . 13 1 1 A 54 54 LYS CB C 54 32.339 32.185 0.154 1
1 733 . 13 1 1 A 54 54 LYS N N 54 118.629 118.801 -0.172 1
1 734 . 13 1 1 A 55 55 PHE H H 55 7.533 8.019 -0.486 1
1 735 . 13 1 1 A 55 55 PHE HA H 55 3.660 3.646 0.014 1
1 743 . 13 1 1 A 55 55 PHE C C 55 176.180 177.001 -0.821 1
1 744 . 13 1 1 A 55 55 PHE CA C 55 59.494 61.111 -1.617 1
1 745 . 13 1 1 A 55 55 PHE CB C 55 38.189 39.020 -0.831 1
1 749 . 13 1 1 A 55 55 PHE N N 55 120.449 120.459 -0.010 1
1 750 . 13 1 1 A 56 56 LEU H H 56 8.019 8.235 -0.216 1
1 751 . 13 1 1 A 56 56 LEU HA H 56 3.254 3.546 -0.292 1
1 761 . 13 1 1 A 56 56 LEU C C 56 179.581 179.194 0.387 1
1 762 . 13 1 1 A 56 56 LEU CA C 56 57.366 57.639 -0.273 1
1 763 . 13 1 1 A 56 56 LEU CB C 56 41.462 41.163 0.299 1
1 767 . 13 1 1 A 56 56 LEU N N 56 120.223 119.749 0.474 1
1 768 . 13 1 1 A 57 57 ASN H H 57 8.427 8.538 -0.111 1
1 769 . 13 1 1 A 57 57 ASN HA H 57 4.324 4.491 -0.167 1
1 774 . 13 1 1 A 57 57 ASN C C 57 178.105 177.973 0.132 1
1 775 . 13 1 1 A 57 57 ASN CA C 57 55.194 56.522 -1.328 1
1 776 . 13 1 1 A 57 57 ASN CB C 57 36.948 37.705 -0.757 1
1 777 . 13 1 1 A 57 57 ASN N N 57 118.422 117.960 0.462 1
1 779 . 13 1 1 A 58 58 GLU H H 58 7.873 8.200 -0.327 1
1 780 . 13 1 1 A 58 58 GLU HA H 58 4.063 4.079 -0.016 1
1 785 . 13 1 1 A 58 58 GLU C C 58 179.660 178.688 0.972 1
1 786 . 13 1 1 A 58 58 GLU CA C 58 59.064 59.263 -0.199 1
1 787 . 13 1 1 A 58 58 GLU CB C 58 29.592 29.384 0.208 1
1 789 . 13 1 1 A 58 58 GLU N N 58 121.129 119.934 1.195 1
1 790 . 13 1 1 A 59 59 TYR H H 59 8.638 7.884 0.754 1
1 791 . 13 1 1 A 59 59 TYR HA H 59 3.949 3.923 0.026 1
1 798 . 13 1 1 A 59 59 TYR C C 59 179.907 177.870 2.037 1
1 799 . 13 1 1 A 59 59 TYR CA C 59 61.870 60.917 0.953 1
1 800 . 13 1 1 A 59 59 TYR CB C 59 38.156 38.129 0.027 1
1 803 . 13 1 1 A 59 59 TYR N N 59 124.461 120.897 3.564 1
1 804 . 13 1 1 A 60 60 GLY H H 60 8.925 8.554 0.371 1
1 805 . 13 1 1 A 60 60 GLY HA2 H 60 3.947 3.958 -0.011 1
1 806 . 13 1 1 A 60 60 GLY HA3 H 60 4.175 3.973 0.202 1
1 807 . 13 1 1 A 60 60 GLY C C 60 173.294 174.726 -1.432 1
1 808 . 13 1 1 A 60 60 GLY CA C 60 46.424 45.692 0.732 1
1 809 . 13 1 1 A 60 60 GLY N N 60 107.578 106.167 1.411 1
1 810 . 13 1 1 A 61 61 LEU H H 61 7.448 7.608 -0.160 1
1 811 . 13 1 1 A 61 61 LEU HA H 61 4.238 4.256 -0.018 1
1 821 . 13 1 1 A 61 61 LEU C C 61 179.159 178.335 0.824 1
1 822 . 13 1 1 A 61 61 LEU CA C 61 57.274 56.536 0.738 1
1 823 . 13 1 1 A 61 61 LEU CB C 61 42.304 42.511 -0.207 1
1 827 . 13 1 1 A 61 61 LEU N N 61 118.202 120.077 -1.875 1
1 828 . 13 1 1 A 62 62 THR H H 62 6.974 6.993 -0.019 1
1 829 . 13 1 1 A 62 62 THR HA H 62 4.385 4.332 0.053 1
1 834 . 13 1 1 A 62 62 THR C C 62 173.170 173.686 -0.516 1
1 835 . 13 1 1 A 62 62 THR CA C 62 59.813 61.974 -2.161 1
1 836 . 13 1 1 A 62 62 THR CB C 62 69.697 69.933 -0.236 1
1 838 . 13 1 1 A 62 62 THR N N 62 101.223 104.616 -3.393 1
1 839 . 13 1 1 A 63 63 HIS H H 63 7.041 7.444 -0.403 1
1 840 . 13 1 1 A 63 63 HIS HA H 63 4.861 5.045 -0.184 1
1 845 . 13 1 1 A 63 63 HIS C C 63 172.567 174.445 -1.878 1
1 846 . 13 1 1 A 63 63 HIS CA C 63 55.522 53.995 1.527 1
1 847 . 13 1 1 A 63 63 HIS CB C 63 32.328 32.910 -0.582 1
1 850 . 13 1 1 A 63 63 HIS N N 63 116.818 120.237 -3.419 1
1 853 . 13 1 1 A 64 64 SER H H 64 8.717 8.569 0.148 1
1 854 . 13 1 1 A 64 64 SER HA H 64 4.582 4.582 0.000 1
1 857 . 13 1 1 A 64 64 SER C C 64 174.545 174.877 -0.332 1
1 858 . 13 1 1 A 64 64 SER CA C 64 57.169 56.846 0.323 1
1 859 . 13 1 1 A 64 64 SER CB C 64 65.484 65.153 0.331 1
1 860 . 13 1 1 A 64 64 SER N N 64 116.128 116.192 -0.064 1
1 861 . 13 1 1 A 65 65 TYR H H 65 9.054 9.078 -0.024 1
1 862 . 13 1 1 A 65 65 TYR HA H 65 4.059 4.194 -0.135 1
1 869 . 13 1 1 A 65 65 TYR C C 65 176.918 177.699 -0.781 1
1 870 . 13 1 1 A 65 65 TYR CA C 65 61.906 62.309 -0.403 1
1 871 . 13 1 1 A 65 65 TYR CB C 65 38.185 38.465 -0.280 1
1 874 . 13 1 1 A 65 65 TYR N N 65 121.679 125.950 -4.271 1
1 875 . 13 1 1 A 66 66 GLU H H 66 8.965 8.373 0.592 1
1 876 . 13 1 1 A 66 66 GLU HA H 66 3.888 4.029 -0.141 1
1 881 . 13 1 1 A 66 66 GLU C C 66 178.764 179.151 -0.387 1
1 882 . 13 1 1 A 66 66 GLU CA C 66 59.329 59.275 0.054 1
1 883 . 13 1 1 A 66 66 GLU CB C 66 28.874 29.652 -0.778 1
1 885 . 13 1 1 A 66 66 GLU N N 66 117.723 119.221 -1.498 1
1 886 . 13 1 1 A 67 67 THR H H 67 7.626 8.113 -0.487 1
1 887 . 13 1 1 A 67 67 THR HA H 67 3.864 4.108 -0.244 1
1 892 . 13 1 1 A 67 67 THR C C 67 176.681 176.303 0.378 1
1 893 . 13 1 1 A 67 67 THR CA C 67 66.368 66.954 -0.586 1
1 894 . 13 1 1 A 67 67 THR CB C 67 68.290 67.915 0.375 1
1 896 . 13 1 1 A 67 67 THR N N 67 116.084 116.779 -0.695 1
1 897 . 13 1 1 A 68 68 ILE H H 68 8.324 8.054 0.270 1
1 898 . 13 1 1 A 68 68 ILE HA H 68 3.686 3.854 -0.168 1
1 908 . 13 1 1 A 68 68 ILE C C 68 176.527 177.622 -1.095 1
1 909 . 13 1 1 A 68 68 ILE CA C 68 65.205 62.827 2.378 1
1 910 . 13 1 1 A 68 68 ILE CB C 68 38.355 37.639 0.716 1
1 914 . 13 1 1 A 68 68 ILE N N 68 123.174 120.597 2.577 1
1 915 . 13 1 1 A 69 69 ARG H H 69 8.407 7.722 0.685 1
1 916 . 13 1 1 A 69 69 ARG HA H 69 3.673 3.659 0.014 1
1 923 . 13 1 1 A 69 69 ARG C C 69 179.687 178.477 1.210 1
1 924 . 13 1 1 A 69 69 ARG CA C 69 59.577 59.450 0.127 1
1 925 . 13 1 1 A 69 69 ARG CB C 69 29.560 29.311 0.249 1
1 928 . 13 1 1 A 69 69 ARG N N 69 121.358 121.663 -0.305 1
1 929 . 13 1 1 A 70 70 LYS H H 70 7.562 7.806 -0.244 1
1 930 . 13 1 1 A 70 70 LYS HA H 70 3.617 3.782 -0.165 1
1 939 . 13 1 1 A 70 70 LYS C C 70 177.129 178.064 -0.935 1
1 940 . 13 1 1 A 70 70 LYS CA C 70 59.380 58.898 0.482 1
1 941 . 13 1 1 A 70 70 LYS CB C 70 31.978 32.234 -0.256 1
1 945 . 13 1 1 A 70 70 LYS N N 70 120.218 118.339 1.879 1
1 946 . 13 1 1 A 71 71 LEU H H 71 7.640 8.175 -0.535 1
1 947 . 13 1 1 A 71 71 LEU HA H 71 3.629 3.873 -0.244 1
1 957 . 13 1 1 A 71 71 LEU C C 71 178.157 178.234 -0.077 1
1 958 . 13 1 1 A 71 71 LEU CA C 71 58.477 58.102 0.375 1
1 959 . 13 1 1 A 71 71 LEU CB C 71 41.262 41.173 0.089 1
1 963 . 13 1 1 A 71 71 LEU N N 71 119.991 121.669 -1.678 1
1 964 . 13 1 1 A 72 72 ASN H H 72 8.474 8.459 0.015 1
1 965 . 13 1 1 A 72 72 ASN HA H 72 4.485 4.426 0.059 1
1 970 . 13 1 1 A 72 72 ASN C C 72 176.285 177.089 -0.804 1
1 971 . 13 1 1 A 72 72 ASN CA C 72 56.424 56.826 -0.402 1
1 972 . 13 1 1 A 72 72 ASN CB C 72 39.544 39.503 0.041 1
1 973 . 13 1 1 A 72 72 ASN N N 72 114.097 117.495 -3.398 1
1 975 . 13 1 1 A 73 73 SER H H 73 7.878 8.024 -0.146 1
1 976 . 13 1 1 A 73 73 SER HA H 73 4.177 4.169 0.008 1
1 979 . 13 1 1 A 73 73 SER C C 73 176.734 177.113 -0.379 1
1 980 . 13 1 1 A 73 73 SER CA C 73 61.741 61.212 0.529 1
1 981 . 13 1 1 A 73 73 SER CB C 73 62.573 63.019 -0.446 1
1 982 . 13 1 1 A 73 73 SER N N 73 115.022 113.790 1.232 1
1 983 . 13 1 1 A 74 74 TYR H H 74 8.078 7.489 0.589 1
1 984 . 13 1 1 A 74 74 TYR HA H 74 5.168 4.592 0.576 1
1 991 . 13 1 1 A 74 74 TYR C C 74 178.436 178.458 -0.022 1
1 992 . 13 1 1 A 74 74 TYR CA C 74 58.023 61.553 -3.530 1
1 993 . 13 1 1 A 74 74 TYR CB C 74 37.835 38.252 -0.417 1
1 996 . 13 1 1 A 74 74 TYR N N 74 122.937 118.874 4.063 1
1 997 . 13 1 1 A 75 75 ILE H H 75 8.264 8.764 -0.500 1
1 998 . 13 1 1 A 75 75 ILE HA H 75 3.647 3.946 -0.299 1
1 1008 . 13 1 1 A 75 75 ILE C C 75 177.656 177.922 -0.266 1
1 1009 . 13 1 1 A 75 75 ILE CA C 75 66.349 65.837 0.512 1
1 1010 . 13 1 1 A 75 75 ILE CB C 75 37.494 38.194 -0.700 1
1 1014 . 13 1 1 A 75 75 ILE N N 75 119.080 120.459 -1.379 1
1 1015 . 13 1 1 A 76 76 ARG H H 76 9.316 8.483 0.833 1
1 1016 . 13 1 1 A 76 76 ARG HA H 76 3.896 4.137 -0.241 1
1 1024 . 13 1 1 A 76 76 ARG C C 76 179.033 179.384 -0.351 1
1 1025 . 13 1 1 A 76 76 ARG CA C 76 60.536 59.731 0.805 1
1 1026 . 13 1 1 A 76 76 ARG CB C 76 30.238 29.744 0.494 1
1 1029 . 13 1 1 A 76 76 ARG N N 76 121.985 121.017 0.968 1
1 1031 . 13 1 1 A 77 77 ASN H H 77 8.003 8.338 -0.335 1
1 1032 . 13 1 1 A 77 77 ASN HA H 77 4.605 4.549 0.056 1
1 1037 . 13 1 1 A 77 77 ASN C C 77 177.146 177.342 -0.196 1
1 1038 . 13 1 1 A 77 77 ASN CA C 77 55.755 56.656 -0.901 1
1 1039 . 13 1 1 A 77 77 ASN CB C 77 38.857 39.521 -0.664 1
1 1040 . 13 1 1 A 77 77 ASN N N 77 117.750 117.858 -0.108 1
1 1042 . 13 1 1 A 78 78 ALA H H 78 8.082 7.598 0.484 1
1 1043 . 13 1 1 A 78 78 ALA HA H 78 2.351 2.792 -0.441 1
1 1047 . 13 1 1 A 78 78 ALA C C 78 181.084 179.576 1.508 1
1 1048 . 13 1 1 A 78 78 ALA CA C 78 54.703 54.432 0.271 1
1 1049 . 13 1 1 A 78 78 ALA CB C 78 16.121 17.240 -1.119 1
1 1050 . 13 1 1 A 78 78 ALA N N 78 124.770 121.044 3.726 1
1 1051 . 13 1 1 A 79 79 PHE H H 79 8.603 8.055 0.548 1
1 1052 . 13 1 1 A 79 79 PHE HA H 79 3.974 4.195 -0.221 1
1 1060 . 13 1 1 A 79 79 PHE C C 79 177.841 177.876 -0.035 1
1 1061 . 13 1 1 A 79 79 PHE CA C 79 63.302 62.177 1.125 1
1 1062 . 13 1 1 A 79 79 PHE CB C 79 40.594 38.670 1.924 1
1 1066 . 13 1 1 A 79 79 PHE N N 79 116.847 115.653 1.194 1
1 1067 . 13 1 1 A 80 80 ASP H H 80 8.298 8.805 -0.507 1
1 1068 . 13 1 1 A 80 80 ASP HA H 80 4.620 4.368 0.252 1
1 1071 . 13 1 1 A 80 80 ASP C C 80 179.845 178.007 1.838 1
1 1072 . 13 1 1 A 80 80 ASP CA C 80 57.957 57.988 -0.031 1
1 1073 . 13 1 1 A 80 80 ASP CB C 80 39.595 41.887 -2.292 1
1 1074 . 13 1 1 A 80 80 ASP N N 80 121.362 119.984 1.378 1
1 1075 . 13 1 1 A 81 81 ASP H H 81 8.051 8.195 -0.144 1
1 1076 . 13 1 1 A 81 81 ASP HA H 81 4.724 4.440 0.284 1
1 1079 . 13 1 1 A 81 81 ASP C C 81 177.963 178.205 -0.242 1
1 1080 . 13 1 1 A 81 81 ASP CA C 81 57.537 57.796 -0.259 1
1 1081 . 13 1 1 A 81 81 ASP CB C 81 39.463 41.288 -1.825 1
1 1082 . 13 1 1 A 81 81 ASP N N 81 122.166 119.598 2.568 1
1 1083 . 13 1 1 A 82 82 ALA H H 82 8.025 7.430 0.595 1
1 1084 . 13 1 1 A 82 82 ALA HA H 82 4.106 4.229 -0.123 1
1 1088 . 13 1 1 A 82 82 ALA C C 82 180.223 179.845 0.378 1
1 1089 . 13 1 1 A 82 82 ALA CA C 82 55.194 55.188 0.006 1
1 1090 . 13 1 1 A 82 82 ALA CB C 82 17.947 18.324 -0.377 1
1 1091 . 13 1 1 A 82 82 ALA N N 82 124.747 121.643 3.104 1
1 1092 . 13 1 1 A 83 83 ILE H H 83 8.327 8.733 -0.406 1
1 1093 . 13 1 1 A 83 83 ILE HA H 83 4.235 3.951 0.284 1
1 1103 . 13 1 1 A 83 83 ILE C C 83 180.768 177.849 2.919 1
1 1104 . 13 1 1 A 83 83 ILE CA C 83 63.966 63.768 0.198 1
1 1105 . 13 1 1 A 83 83 ILE CB C 83 38.254 37.663 0.591 1
1 1109 . 13 1 1 A 83 83 ILE N N 83 120.907 118.876 2.031 1
1 1110 . 13 1 1 A 84 84 HIS H H 84 7.934 8.193 -0.259 1
1 1111 . 13 1 1 A 84 84 HIS HA H 84 4.434 4.164 0.270 1
1 1116 . 13 1 1 A 84 84 HIS C C 84 178.250 176.247 2.003 1
1 1117 . 13 1 1 A 84 84 HIS CA C 84 59.042 59.845 -0.803 1
1 1118 . 13 1 1 A 84 84 HIS CB C 84 28.750 30.156 -1.406 1
1 1121 . 13 1 1 A 84 84 HIS N N 84 121.346 121.271 0.075 1
1 1124 . 13 1 1 A 85 85 GLU H H 85 8.074 7.935 0.139 1
1 1125 . 13 1 1 A 85 85 GLU HA H 85 4.192 4.333 -0.141 1
1 1130 . 13 1 1 A 85 85 GLU C C 85 176.510 176.898 -0.388 1
1 1131 . 13 1 1 A 85 85 GLU CA C 85 56.512 56.097 0.415 1
1 1132 . 13 1 1 A 85 85 GLU CB C 85 30.284 30.486 -0.202 1
1 1134 . 13 1 1 A 85 85 GLU N N 85 115.467 116.011 -0.544 1
1 1135 . 13 1 1 A 86 86 GLY H H 86 7.715 7.954 -0.239 1
1 1136 . 13 1 1 A 86 86 GLY HA2 H 86 3.844 3.973 -0.129 1
1 1137 . 13 1 1 A 86 86 GLY HA3 H 86 4.136 3.992 0.144 1
1 1138 . 13 1 1 A 86 86 GLY C C 86 175.243 174.693 0.550 1
1 1139 . 13 1 1 A 86 86 GLY CA C 86 45.108 46.055 -0.947 1
1 1140 . 13 1 1 A 86 86 GLY N N 86 105.999 108.235 -2.236 1
1 1141 . 13 1 1 A 87 87 TYR H H 87 8.173 8.349 -0.176 1
1 1142 . 13 1 1 A 87 87 TYR HA H 87 4.396 4.216 0.180 1
1 1149 . 13 1 1 A 87 87 TYR CA C 87 59.317 60.978 -1.661 1
1 1150 . 13 1 1 A 87 87 TYR CB C 87 39.558 39.725 -0.167 1
1 1153 . 13 1 1 A 87 87 TYR N N 87 118.412 121.354 -2.942 1
1 1154 . 13 1 1 A 88 88 VAL HA H 88 4.583 4.553 0.030 1
1 1162 . 13 1 1 A 88 88 VAL CB C 88 36.112 33.648 2.464 1
1 1165 . 13 1 1 A 89 89 ILE HA H 89 4.426 3.977 0.449 1
1 1175 . 13 1 1 A 89 89 ILE CA C 89 61.984 64.553 -2.569 1
1 1176 . 13 1 1 A 89 89 ILE CB C 89 39.850 38.267 1.583 1
1 1180 . 13 1 1 A 90 90 LYS H H 90 7.387 7.598 -0.211 1
1 1181 . 13 1 1 A 90 90 LYS HA H 90 4.508 4.787 -0.279 1
1 1190 . 13 1 1 A 90 90 LYS C C 90 174.665 175.338 -0.673 1
1 1191 . 13 1 1 A 90 90 LYS CA C 90 54.111 54.377 -0.266 1
1 1192 . 13 1 1 A 90 90 LYS CB C 90 35.086 37.149 -2.063 1
1 1196 . 13 1 1 A 91 91 ASN H H 91 8.803 8.751 0.052 1
1 1197 . 13 1 1 A 91 91 ASN HA H 91 4.279 4.583 -0.304 1
1 1202 . 13 1 1 A 91 91 ASN CB C 91 38.879 38.259 0.620 1
1 1203 . 13 1 1 A 91 91 ASN N N 91 120.903 119.105 1.798 1
1 1205 . 13 1 1 A 92 92 PRO HA H 92 4.206 4.285 -0.079 1
1 1212 . 13 1 1 A 92 92 PRO C C 92 174.751 177.383 -2.632 1
1 1213 . 13 1 1 A 92 92 PRO CA C 92 63.927 63.716 0.211 1
1 1214 . 13 1 1 A 92 92 PRO CB C 92 30.969 31.398 -0.429 1
1 1217 . 13 1 1 A 93 93 THR H H 93 7.441 7.257 0.184 1
1 1218 . 13 1 1 A 93 93 THR HA H 93 4.093 4.053 0.040 1
1 1224 . 13 1 1 A 93 93 THR C C 93 175.922 174.622 1.300 1
1 1225 . 13 1 1 A 93 93 THR CA C 93 62.221 62.834 -0.613 1
1 1226 . 13 1 1 A 93 93 THR CB C 93 69.463 67.394 2.069 1
1 1228 . 13 1 1 A 93 93 THR N N 93 105.991 111.190 -5.199 1
1 1229 . 13 1 1 A 94 94 TYR H H 94 7.139 7.967 -0.828 1
1 1230 . 13 1 1 A 94 94 TYR HA H 94 4.393 4.135 0.258 1
1 1237 . 13 1 1 A 94 94 TYR C C 94 176.180 177.864 -1.684 1
1 1238 . 13 1 1 A 94 94 TYR CA C 94 58.272 61.454 -3.182 1
1 1239 . 13 1 1 A 94 94 TYR CB C 94 37.490 38.740 -1.250 1
1 1242 . 13 1 1 A 94 94 TYR N N 94 124.098 122.830 1.268 1
1 1243 . 13 1 1 A 95 95 LYS H H 95 8.904 7.550 1.354 1
1 1244 . 13 1 1 A 95 95 LYS HA H 95 3.758 4.362 -0.604 1
1 1253 . 13 1 1 A 95 95 LYS C C 95 175.547 176.943 -1.396 1
1 1254 . 13 1 1 A 95 95 LYS CA C 95 57.078 55.793 1.285 1
1 1255 . 13 1 1 A 95 95 LYS CB C 95 29.962 32.777 -2.815 1
1 1259 . 13 1 1 A 95 95 LYS N N 95 121.317 119.351 1.966 1
1 1260 . 13 1 1 A 96 96 ALA H H 96 7.583 7.286 0.297 1
1 1261 . 13 1 1 A 96 96 ALA HA H 96 4.157 4.448 -0.291 1
1 1265 . 13 1 1 A 96 96 ALA C C 96 177.630 177.860 -0.230 1
1 1266 . 13 1 1 A 96 96 ALA CA C 96 53.298 51.264 2.034 1
1 1267 . 13 1 1 A 96 96 ALA CB C 96 18.807 17.555 1.252 1
1 1268 . 13 1 1 A 96 96 ALA N N 96 121.832 123.764 -1.932 1
1 1269 . 13 1 1 A 97 97 GLU H H 97 9.243 8.413 0.830 1
1 1270 . 13 1 1 A 97 97 GLU HA H 97 4.347 4.234 0.113 1
1 1275 . 13 1 1 A 97 97 GLU C C 97 175.890 175.844 0.046 1
1 1276 . 13 1 1 A 97 97 GLU CA C 97 55.198 56.421 -1.223 1
1 1277 . 13 1 1 A 97 97 GLU CB C 97 30.931 30.142 0.789 1
1 1279 . 13 1 1 A 97 97 GLU N N 97 121.989 123.198 -1.209 1
1 1280 . 13 1 1 A 98 98 LEU H H 98 8.401 7.849 0.552 1
1 1281 . 13 1 1 A 98 98 LEU HA H 98 4.277 3.856 0.421 1
1 1291 . 13 1 1 A 98 98 LEU C C 98 175.738 175.858 -0.120 1
1 1292 . 13 1 1 A 98 98 LEU CA C 98 54.337 55.575 -1.238 1
1 1293 . 13 1 1 A 98 98 LEU CB C 98 41.634 40.499 1.135 1
1 1297 . 13 1 1 A 98 98 LEU N N 98 123.414 118.344 5.070 1
1 1298 . 13 1 1 A 99 99 HIS H H 99 8.749 8.151 0.598 1
1 1299 . 13 1 1 A 99 99 HIS HA H 99 4.706 4.845 -0.139 1
1 1304 . 13 1 1 A 99 99 HIS C C 99 173.912 174.301 -0.389 1
1 1305 . 13 1 1 A 99 99 HIS CA C 99 55.183 55.107 0.076 1
1 1306 . 13 1 1 A 99 99 HIS CB C 99 29.916 29.217 0.699 1
1 1309 . 13 1 1 A 99 99 HIS N N 99 121.129 118.588 2.541 1
1 1312 . 13 1 1 A 100 100 ALA H H 100 8.369 8.870 -0.501 1
1 1313 . 13 1 1 A 100 100 ALA HA H 100 4.518 4.315 0.203 1
1 1317 . 13 1 1 A 100 100 ALA C C 100 177.533 178.083 -0.550 1
1 1318 . 13 1 1 A 100 100 ALA CA C 100 51.753 51.047 0.706 1
1 1319 . 13 1 1 A 100 100 ALA CB C 100 20.081 17.938 2.143 1
1 1320 . 13 1 1 A 100 100 ALA N N 100 125.646 129.232 -3.586 1
1 1321 . 13 1 1 A 101 101 SER H H 101 8.357 8.394 -0.037 1
1 1322 . 13 1 1 A 101 101 SER HA H 101 4.452 4.340 0.112 1
1 1325 . 13 1 1 A 101 101 SER C C 101 174.729 175.946 -1.217 1
1 1326 . 13 1 1 A 101 101 SER CA C 101 58.781 60.097 -1.316 1
1 1327 . 13 1 1 A 101 101 SER CB C 101 63.865 63.088 0.777 1
1 1328 . 13 1 1 A 101 101 SER N N 101 115.505 118.651 -3.146 1
1 1329 . 13 1 1 A 102 102 VAL H H 102 7.884 7.540 0.344 1
1 1330 . 13 1 1 A 102 102 VAL HA H 102 4.111 3.757 0.354 1
1 1338 . 13 1 1 A 102 102 VAL C C 102 175.837 176.946 -1.109 1
1 1339 . 13 1 1 A 102 102 VAL CA C 102 62.237 66.490 -4.253 1
1 1340 . 13 1 1 A 102 102 VAL CB C 102 32.336 31.814 0.522 1
1 1343 . 13 1 1 A 102 102 VAL N N 102 120.880 121.708 -0.828 1
1 1344 . 13 1 1 A 103 103 LEU H H 103 8.170 7.349 0.821 1
1 1345 . 13 1 1 A 103 103 LEU HA H 103 4.299 4.561 -0.262 1
1 1355 . 13 1 1 A 103 103 LEU C C 103 177.129 176.576 0.553 1
1 1356 . 13 1 1 A 103 103 LEU CA C 103 54.999 54.115 0.884 1
1 1357 . 13 1 1 A 103 103 LEU CB C 103 42.276 42.021 0.255 1
1 1361 . 13 1 1 A 103 103 LEU N N 103 124.757 118.758 5.999 1
1 1362 . 13 1 1 A 104 104 GLU H H 104 8.244 7.832 0.412 1
1 1363 . 13 1 1 A 104 104 GLU HA H 104 4.175 4.652 -0.477 1
1 1368 . 13 1 1 A 104 104 GLU C C 104 176.153 175.614 0.539 1
1 1369 . 13 1 1 A 104 104 GLU CA C 104 56.413 55.553 0.860 1
1 1370 . 13 1 1 A 104 104 GLU CB C 104 30.270 30.882 -0.612 1
1 1372 . 13 1 1 A 104 104 GLU N N 104 121.146 119.717 1.429 1
1 1373 . 13 1 1 A 105 105 HIS H H 105 8.242 8.880 -0.638 1
1 1376 . 13 1 1 A 105 105 HIS C C 105 174.967 174.450 0.517 1
1 1377 . 13 1 1 A 105 105 HIS CA C 105 56.137 53.543 2.594 1
1 1378 . 13 1 1 A 105 105 HIS CB C 105 30.290 32.687 -2.397 1
1 13 . 14 1 1 A 2 2 ILE HA H 2 4.615 4.347 0.268 1
1 23 . 14 1 1 A 2 2 ILE C C 2 175.630 175.391 0.239 1
1 24 . 14 1 1 A 2 2 ILE CA C 2 60.619 62.097 -1.478 1
1 25 . 14 1 1 A 2 2 ILE CB C 2 40.542 39.013 1.529 1
1 29 . 14 1 1 A 3 3 THR H H 3 9.133 8.474 0.659 1
1 30 . 14 1 1 A 3 3 THR HA H 3 4.656 4.776 -0.120 1
1 36 . 14 1 1 A 3 3 THR C C 3 174.729 175.568 -0.839 1
1 37 . 14 1 1 A 3 3 THR CA C 3 61.509 60.749 0.760 1
1 38 . 14 1 1 A 3 3 THR CB C 3 69.896 70.983 -1.087 1
1 40 . 14 1 1 A 3 3 THR N N 3 119.091 118.122 0.969 1
1 41 . 14 1 1 A 4 4 PHE H H 4 8.642 9.765 -1.123 1
1 42 . 14 1 1 A 4 4 PHE HA H 4 4.576 4.111 0.465 1
1 50 . 14 1 1 A 4 4 PHE C C 4 176.302 177.405 -1.103 1
1 51 . 14 1 1 A 4 4 PHE CA C 4 58.368 62.567 -4.199 1
1 52 . 14 1 1 A 4 4 PHE CB C 4 37.526 39.305 -1.779 1
1 56 . 14 1 1 A 4 4 PHE N N 4 122.510 123.135 -0.625 1
1 57 . 14 1 1 A 5 5 ALA H H 5 9.195 8.432 0.763 1
1 58 . 14 1 1 A 5 5 ALA HA H 5 3.692 3.976 -0.284 1
1 62 . 14 1 1 A 5 5 ALA C C 5 178.210 179.339 -1.129 1
1 63 . 14 1 1 A 5 5 ALA CA C 5 56.073 55.346 0.727 1
1 64 . 14 1 1 A 5 5 ALA CB C 5 17.897 18.131 -0.234 1
1 65 . 14 1 1 A 5 5 ALA N N 5 120.106 121.094 -0.988 1
1 66 . 14 1 1 A 6 6 ASP H H 6 7.978 7.782 0.196 1
1 67 . 14 1 1 A 6 6 ASP HA H 6 4.615 4.547 0.068 1
1 70 . 14 1 1 A 6 6 ASP C C 6 179.370 178.061 1.309 1
1 71 . 14 1 1 A 6 6 ASP CA C 6 57.369 57.393 -0.024 1
1 72 . 14 1 1 A 6 6 ASP CB C 6 39.556 40.933 -1.377 1
1 73 . 14 1 1 A 6 6 ASP N N 6 115.486 118.587 -3.101 1
1 74 . 14 1 1 A 7 7 TYR H H 7 8.776 8.480 0.296 1
1 75 . 14 1 1 A 7 7 TYR HA H 7 3.984 4.344 -0.360 1
1 82 . 14 1 1 A 7 7 TYR C C 7 176.232 177.554 -1.322 1
1 83 . 14 1 1 A 7 7 TYR CA C 7 62.241 61.664 0.577 1
1 84 . 14 1 1 A 7 7 TYR CB C 7 38.521 38.595 -0.074 1
1 87 . 14 1 1 A 7 7 TYR N N 7 120.885 120.865 0.020 1
1 88 . 14 1 1 A 8 8 PHE H H 8 9.024 8.570 0.454 1
1 89 . 14 1 1 A 8 8 PHE HA H 8 3.732 4.302 -0.570 1
1 97 . 14 1 1 A 8 8 PHE C C 8 176.261 177.019 -0.758 1
1 98 . 14 1 1 A 8 8 PHE CA C 8 62.936 62.025 0.911 1
1 99 . 14 1 1 A 8 8 PHE CB C 8 39.553 38.763 0.790 1
1 103 . 14 1 1 A 8 8 PHE N N 8 118.754 120.557 -1.803 1
1 104 . 14 1 1 A 9 9 TYR H H 9 8.202 8.188 0.014 1
1 105 . 14 1 1 A 9 9 TYR HA H 9 3.742 3.931 -0.189 1
1 112 . 14 1 1 A 9 9 TYR C C 9 176.496 177.135 -0.639 1
1 113 . 14 1 1 A 9 9 TYR CA C 9 62.939 61.308 1.631 1
1 114 . 14 1 1 A 9 9 TYR CB C 9 37.941 38.159 -0.218 1
1 117 . 14 1 1 A 9 9 TYR N N 9 117.271 120.378 -3.107 1
1 118 . 14 1 1 A 10 10 GLN H H 10 8.029 8.341 -0.312 1
1 119 . 14 1 1 A 10 10 GLN HA H 10 3.928 3.942 -0.014 1
1 126 . 14 1 1 A 10 10 GLN C C 10 177.393 177.888 -0.495 1
1 127 . 14 1 1 A 10 10 GLN CA C 10 58.717 58.404 0.313 1
1 128 . 14 1 1 A 10 10 GLN CB C 10 28.482 28.580 -0.098 1
1 130 . 14 1 1 A 10 10 GLN N N 10 117.935 118.072 -0.137 1
1 132 . 14 1 1 A 11 11 TRP H H 11 8.772 8.358 0.414 1
1 133 . 14 1 1 A 11 11 TRP HA H 11 3.690 4.113 -0.423 1
1 142 . 14 1 1 A 11 11 TRP C C 11 178.487 177.555 0.932 1
1 143 . 14 1 1 A 11 11 TRP CA C 11 61.256 60.566 0.690 1
1 144 . 14 1 1 A 11 11 TRP CB C 11 27.472 29.245 -1.773 1
1 150 . 14 1 1 A 11 11 TRP N N 11 121.577 122.026 -0.449 1
1 152 . 14 1 1 A 12 12 TYR H H 12 8.168 7.943 0.225 1
1 153 . 14 1 1 A 12 12 TYR HA H 12 2.938 3.253 -0.315 1
1 160 . 14 1 1 A 12 12 TYR C C 12 177.277 177.069 0.208 1
1 161 . 14 1 1 A 12 12 TYR CA C 12 59.178 60.747 -1.569 1
1 162 . 14 1 1 A 12 12 TYR CB C 12 36.729 37.872 -1.143 1
1 165 . 14 1 1 A 12 12 TYR N N 12 121.811 121.083 0.728 1
1 166 . 14 1 1 A 13 13 GLU H H 13 8.434 8.250 0.184 1
1 167 . 14 1 1 A 13 13 GLU HA H 13 2.996 3.345 -0.349 1
1 172 . 14 1 1 A 13 13 GLU C C 13 177.157 178.884 -1.727 1
1 173 . 14 1 1 A 13 13 GLU CA C 13 59.164 58.961 0.203 1
1 174 . 14 1 1 A 13 13 GLU CB C 13 29.447 29.010 0.437 1
1 176 . 14 1 1 A 13 13 GLU N N 13 123.599 117.441 6.158 1
1 177 . 14 1 1 A 14 14 VAL H H 14 7.605 7.297 0.308 1
1 178 . 14 1 1 A 14 14 VAL HA H 14 3.562 3.551 0.011 1
1 186 . 14 1 1 A 14 14 VAL C C 14 177.289 176.727 0.562 1
1 187 . 14 1 1 A 14 14 VAL CA C 14 64.338 65.890 -1.552 1
1 188 . 14 1 1 A 14 14 VAL CB C 14 32.669 31.026 1.643 1
1 191 . 14 1 1 A 14 14 VAL N N 14 113.566 121.198 -7.632 1
1 192 . 14 1 1 A 15 15 ASN H H 15 7.482 7.094 0.388 1
1 193 . 14 1 1 A 15 15 ASN HA H 15 4.429 4.673 -0.244 1
1 198 . 14 1 1 A 15 15 ASN C C 15 175.201 176.437 -1.236 1
1 199 . 14 1 1 A 15 15 ASN CA C 15 55.218 53.944 1.274 1
1 200 . 14 1 1 A 15 15 ASN CB C 15 39.927 38.883 1.044 1
1 201 . 14 1 1 A 15 15 ASN N N 15 112.195 117.835 -5.640 1
1 203 . 14 1 1 A 16 16 LYS H H 16 7.413 7.609 -0.196 1
1 204 . 14 1 1 A 16 16 LYS HA H 16 4.338 4.052 0.286 1
1 213 . 14 1 1 A 16 16 LYS C C 16 175.309 178.491 -3.182 1
1 214 . 14 1 1 A 16 16 LYS CA C 16 54.807 57.633 -2.826 1
1 215 . 14 1 1 A 16 16 LYS CB C 16 32.665 32.265 0.400 1
1 219 . 14 1 1 A 16 16 LYS N N 16 115.814 118.506 -2.692 1
1 220 . 14 1 1 A 17 17 LEU H H 17 7.490 7.216 0.274 1
1 221 . 14 1 1 A 17 17 LEU HA H 17 3.603 3.414 0.189 1
1 231 . 14 1 1 A 17 17 LEU C C 17 173.754 176.106 -2.352 1
1 232 . 14 1 1 A 17 17 LEU CA C 17 59.847 59.451 0.396 1
1 233 . 14 1 1 A 17 17 LEU CB C 17 39.552 39.530 0.022 1
1 237 . 14 1 1 A 17 17 LEU N N 17 121.586 121.594 -0.008 1
1 238 . 14 1 1 A 18 18 PRO HA H 18 4.107 4.193 -0.086 1
1 245 . 14 1 1 A 18 18 PRO C C 18 176.412 176.717 -0.305 1
1 246 . 14 1 1 A 18 18 PRO CA C 18 64.656 63.968 0.688 1
1 247 . 14 1 1 A 18 18 PRO CB C 18 30.980 31.995 -1.015 1
1 250 . 14 1 1 A 19 19 HIS H H 19 7.631 7.700 -0.069 1
1 251 . 14 1 1 A 19 19 HIS HA H 19 4.857 4.636 0.221 1
1 256 . 14 1 1 A 19 19 HIS C C 19 175.822 175.041 0.781 1
1 257 . 14 1 1 A 19 19 HIS CA C 19 55.004 56.653 -1.649 1
1 258 . 14 1 1 A 19 19 HIS CB C 19 32.358 31.646 0.712 1
1 260 . 14 1 1 A 19 19 HIS N N 19 111.190 115.607 -4.417 1
1 263 . 14 1 1 A 20 20 VAL H H 20 7.124 7.709 -0.585 1
1 264 . 14 1 1 A 20 20 VAL HA H 20 4.728 4.180 0.548 1
1 272 . 14 1 1 A 20 20 VAL C C 20 175.497 175.931 -0.434 1
1 273 . 14 1 1 A 20 20 VAL CA C 20 60.134 61.021 -0.887 1
1 274 . 14 1 1 A 20 20 VAL CB C 20 34.199 33.119 1.080 1
1 277 . 14 1 1 A 20 20 VAL N N 20 112.191 115.997 -3.806 1
1 278 . 14 1 1 A 21 21 SER H H 21 8.589 9.095 -0.506 1
1 279 . 14 1 1 A 21 21 SER HA H 21 4.531 4.614 -0.083 1
1 282 . 14 1 1 A 21 21 SER C C 21 174.840 175.645 -0.805 1
1 283 . 14 1 1 A 21 21 SER CA C 21 57.236 57.933 -0.697 1
1 284 . 14 1 1 A 21 21 SER CB C 21 65.251 64.536 0.715 1
1 285 . 14 1 1 A 21 21 SER N N 21 116.825 119.864 -3.039 1
1 286 . 14 1 1 A 22 22 GLU H H 22 8.964 9.138 -0.174 1
1 287 . 14 1 1 A 22 22 GLU HA H 22 3.922 4.179 -0.257 1
1 292 . 14 1 1 A 22 22 GLU C C 22 178.606 178.895 -0.289 1
1 293 . 14 1 1 A 22 22 GLU CA C 22 59.837 59.510 0.327 1
1 294 . 14 1 1 A 22 22 GLU CB C 22 29.239 29.173 0.066 1
1 296 . 14 1 1 A 22 22 GLU N N 22 120.863 124.781 -3.918 1
1 297 . 14 1 1 A 23 23 SER H H 23 8.426 8.202 0.224 1
1 298 . 14 1 1 A 23 23 SER HA H 23 4.151 4.197 -0.046 1
1 301 . 14 1 1 A 23 23 SER C C 23 176.977 176.798 0.179 1
1 302 . 14 1 1 A 23 23 SER CA C 23 61.220 62.674 -1.454 1
1 303 . 14 1 1 A 23 23 SER CB C 23 62.252 63.269 -1.017 1
1 304 . 14 1 1 A 23 23 SER N N 23 112.196 119.064 -6.868 1
1 305 . 14 1 1 A 24 24 THR H H 24 7.749 7.990 -0.241 1
1 306 . 14 1 1 A 24 24 THR HA H 24 4.163 4.323 -0.160 1
1 311 . 14 1 1 A 24 24 THR C C 24 176.523 177.315 -0.792 1
1 312 . 14 1 1 A 24 24 THR CA C 24 66.045 66.588 -0.543 1
1 313 . 14 1 1 A 24 24 THR CB C 24 68.305 68.408 -0.103 1
1 315 . 14 1 1 A 24 24 THR N N 24 120.348 117.689 2.659 1
1 316 . 14 1 1 A 25 25 LYS H H 25 8.605 8.044 0.561 1
1 317 . 14 1 1 A 25 25 LYS HA H 25 4.064 4.035 0.029 1
1 326 . 14 1 1 A 25 25 LYS C C 25 178.447 179.709 -1.262 1
1 327 . 14 1 1 A 25 25 LYS CA C 25 61.087 59.905 1.182 1
1 328 . 14 1 1 A 25 25 LYS CB C 25 32.717 32.052 0.665 1
1 332 . 14 1 1 A 25 25 LYS N N 25 123.593 120.353 3.240 1
1 333 . 14 1 1 A 26 26 ARG H H 26 7.485 7.711 -0.226 1
1 334 . 14 1 1 A 26 26 ARG HA H 26 4.146 4.075 0.071 1
1 341 . 14 1 1 A 26 26 ARG C C 26 179.845 179.176 0.669 1
1 342 . 14 1 1 A 26 26 ARG CA C 26 58.916 59.770 -0.854 1
1 343 . 14 1 1 A 26 26 ARG CB C 26 30.384 29.652 0.732 1
1 346 . 14 1 1 A 26 26 ARG N N 26 114.116 120.143 -6.027 1
1 347 . 14 1 1 A 27 27 HIS H H 27 7.677 8.047 -0.370 1
1 348 . 14 1 1 A 27 27 HIS HA H 27 4.757 4.440 0.317 1
1 353 . 14 1 1 A 27 27 HIS C C 27 179.743 177.296 2.447 1
1 354 . 14 1 1 A 27 27 HIS CA C 27 58.659 59.315 -0.656 1
1 355 . 14 1 1 A 27 27 HIS CB C 27 30.967 29.976 0.991 1
1 358 . 14 1 1 A 27 27 HIS N N 27 119.389 119.031 0.358 1
1 361 . 14 1 1 A 28 28 TYR H H 28 8.119 8.112 0.007 1
1 362 . 14 1 1 A 28 28 TYR HA H 28 4.009 3.967 0.042 1
1 369 . 14 1 1 A 28 28 TYR C C 28 178.685 178.572 0.113 1
1 370 . 14 1 1 A 28 28 TYR CA C 28 63.311 61.855 1.456 1
1 371 . 14 1 1 A 28 28 TYR CB C 28 38.879 37.591 1.288 1
1 374 . 14 1 1 A 28 28 TYR N N 28 121.786 117.426 4.360 1
1 375 . 14 1 1 A 29 29 GLU H H 29 8.631 8.778 -0.147 1
1 376 . 14 1 1 A 29 29 GLU HA H 29 4.067 4.372 -0.305 1
1 381 . 14 1 1 A 29 29 GLU C C 29 179.950 179.108 0.842 1
1 382 . 14 1 1 A 29 29 GLU CA C 29 59.827 59.552 0.275 1
1 383 . 14 1 1 A 29 29 GLU CB C 29 29.172 29.088 0.084 1
1 385 . 14 1 1 A 29 29 GLU N N 29 119.090 120.777 -1.687 1
1 386 . 14 1 1 A 30 30 SER H H 30 8.307 7.985 0.322 1
1 387 . 14 1 1 A 30 30 SER HA H 30 4.467 4.282 0.185 1
1 390 . 14 1 1 A 30 30 SER C C 30 177.445 177.656 -0.211 1
1 391 . 14 1 1 A 30 30 SER CA C 30 61.068 61.754 -0.686 1
1 392 . 14 1 1 A 30 30 SER CB C 30 63.054 62.953 0.101 1
1 393 . 14 1 1 A 30 30 SER N N 30 115.027 116.423 -1.396 1
1 394 . 14 1 1 A 31 31 ALA H H 31 8.319 8.402 -0.083 1
1 395 . 14 1 1 A 31 31 ALA HA H 31 4.070 4.193 -0.123 1
1 399 . 14 1 1 A 31 31 ALA C C 31 178.488 179.743 -1.255 1
1 400 . 14 1 1 A 31 31 ALA CA C 31 55.926 55.196 0.730 1
1 401 . 14 1 1 A 31 31 ALA CB C 31 18.510 19.017 -0.507 1
1 402 . 14 1 1 A 31 31 ALA N N 31 124.966 123.031 1.935 1
1 403 . 14 1 1 A 32 32 TYR H H 32 8.537 8.496 0.041 1
1 404 . 14 1 1 A 32 32 TYR HA H 32 4.114 4.272 -0.158 1
1 411 . 14 1 1 A 32 32 TYR C C 32 175.705 177.898 -2.193 1
1 412 . 14 1 1 A 32 32 TYR CA C 32 60.480 62.004 -1.524 1
1 413 . 14 1 1 A 32 32 TYR CB C 32 37.864 39.164 -1.300 1
1 416 . 14 1 1 A 32 32 TYR N N 32 116.814 119.852 -3.038 1
1 417 . 14 1 1 A 33 33 LYS H H 33 7.988 8.686 -0.698 1
1 418 . 14 1 1 A 33 33 LYS HA H 33 3.513 3.948 -0.435 1
1 427 . 14 1 1 A 33 33 LYS C C 33 178.474 178.781 -0.307 1
1 428 . 14 1 1 A 33 33 LYS CA C 33 59.810 58.977 0.833 1
1 429 . 14 1 1 A 33 33 LYS CB C 33 32.000 32.057 -0.057 1
1 433 . 14 1 1 A 33 33 LYS N N 33 119.358 118.459 0.899 1
1 434 . 14 1 1 A 34 34 HIS H H 34 8.187 7.571 0.616 1
1 435 . 14 1 1 A 34 34 HIS HA H 34 4.449 4.580 -0.131 1
1 440 . 14 1 1 A 34 34 HIS C C 34 178.948 178.011 0.937 1
1 441 . 14 1 1 A 34 34 HIS CA C 34 60.883 60.396 0.487 1
1 442 . 14 1 1 A 34 34 HIS CB C 34 28.843 31.222 -2.379 1
1 445 . 14 1 1 A 34 34 HIS N N 34 116.156 118.923 -2.767 1
1 448 . 14 1 1 A 35 35 ILE H H 35 8.676 8.358 0.318 1
1 449 . 14 1 1 A 35 35 ILE HA H 35 3.513 3.523 -0.010 1
1 459 . 14 1 1 A 35 35 ILE C C 35 177.630 178.321 -0.691 1
1 460 . 14 1 1 A 35 35 ILE CA C 35 65.690 65.258 0.432 1
1 461 . 14 1 1 A 35 35 ILE CB C 35 38.481 37.654 0.827 1
1 465 . 14 1 1 A 35 35 ILE N N 35 121.824 120.495 1.329 1
1 466 . 14 1 1 A 36 36 LYS H H 36 8.797 8.486 0.311 1
1 467 . 14 1 1 A 36 36 LYS HA H 36 3.712 3.913 -0.201 1
1 476 . 14 1 1 A 36 36 LYS C C 36 179.397 177.764 1.633 1
1 477 . 14 1 1 A 36 36 LYS CA C 36 59.860 58.824 1.036 1
1 478 . 14 1 1 A 36 36 LYS CB C 36 31.878 31.804 0.074 1
1 482 . 14 1 1 A 36 36 LYS N N 36 121.589 120.753 0.836 1
1 483 . 14 1 1 A 37 37 ASP H H 37 8.246 7.864 0.382 1
1 484 . 14 1 1 A 37 37 ASP HA H 37 4.336 4.381 -0.045 1
1 487 . 14 1 1 A 37 37 ASP C C 37 177.234 178.053 -0.819 1
1 488 . 14 1 1 A 37 37 ASP CA C 37 56.932 57.201 -0.269 1
1 489 . 14 1 1 A 37 37 ASP CB C 37 40.576 41.151 -0.575 1
1 490 . 14 1 1 A 37 37 ASP N N 37 118.225 119.465 -1.240 1
1 491 . 14 1 1 A 38 38 HIS H H 38 7.867 7.957 -0.090 1
1 492 . 14 1 1 A 38 38 HIS HA H 38 4.284 4.311 -0.027 1
1 496 . 14 1 1 A 38 38 HIS C C 38 176.839 175.074 1.765 1
1 497 . 14 1 1 A 38 38 HIS CA C 38 59.389 59.136 0.253 1
1 498 . 14 1 1 A 38 38 HIS CB C 38 31.630 30.903 0.727 1
1 500 . 14 1 1 A 38 38 HIS N N 38 115.487 115.653 -0.166 1
1 501 . 14 1 1 A 39 39 PHE H H 39 9.082 8.626 0.456 1
1 502 . 14 1 1 A 39 39 PHE HA H 39 4.369 4.932 -0.563 1
1 510 . 14 1 1 A 39 39 PHE C C 39 175.890 175.856 0.034 1
1 511 . 14 1 1 A 39 39 PHE CA C 39 60.159 56.224 3.935 1
1 512 . 14 1 1 A 39 39 PHE CB C 39 38.850 38.618 0.232 1
1 516 . 14 1 1 A 39 39 PHE N N 39 114.327 115.900 -1.573 1
1 517 . 14 1 1 A 40 40 ARG H H 40 8.104 8.669 -0.565 1
1 518 . 14 1 1 A 40 40 ARG HA H 40 3.921 4.433 -0.512 1
1 525 . 14 1 1 A 40 40 ARG C C 40 176.892 176.792 0.100 1
1 526 . 14 1 1 A 40 40 ARG CA C 40 58.009 58.033 -0.024 1
1 527 . 14 1 1 A 40 40 ARG CB C 40 27.531 31.031 -3.500 1
1 530 . 14 1 1 A 40 40 ARG N N 40 118.379 125.235 -6.856 1
1 531 . 14 1 1 A 41 41 HIS H H 41 8.589 7.939 0.650 1
1 532 . 14 1 1 A 41 41 HIS HA H 41 4.910 4.770 0.140 1
1 536 . 14 1 1 A 41 41 HIS C C 41 174.835 174.825 0.010 1
1 537 . 14 1 1 A 41 41 HIS CA C 41 55.473 55.852 -0.379 1
1 538 . 14 1 1 A 41 41 HIS CB C 41 29.720 30.242 -0.522 1
1 540 . 14 1 1 A 41 41 HIS N N 41 123.828 117.466 6.362 1
1 541 . 14 1 1 A 42 42 LYS H H 42 8.326 7.779 0.547 1
1 542 . 14 1 1 A 42 42 LYS HA H 42 4.181 4.382 -0.201 1
1 551 . 14 1 1 A 42 42 LYS C C 42 177.973 176.798 1.175 1
1 552 . 14 1 1 A 42 42 LYS CA C 42 58.201 56.518 1.683 1
1 553 . 14 1 1 A 42 42 LYS CB C 42 33.047 33.537 -0.490 1
1 557 . 14 1 1 A 42 42 LYS N N 42 121.129 122.459 -1.330 1
1 558 . 14 1 1 A 43 43 LEU H H 43 9.243 8.582 0.661 1
1 559 . 14 1 1 A 43 43 LEU HA H 43 4.346 4.451 -0.105 1
1 569 . 14 1 1 A 43 43 LEU C C 43 177.840 178.025 -0.185 1
1 570 . 14 1 1 A 43 43 LEU CA C 43 55.420 54.607 0.813 1
1 571 . 14 1 1 A 43 43 LEU CB C 43 40.936 42.481 -1.545 1
1 575 . 14 1 1 A 43 43 LEU N N 43 124.529 127.671 -3.142 1
1 576 . 14 1 1 A 44 44 LEU H H 44 8.404 8.488 -0.084 1
1 577 . 14 1 1 A 44 44 LEU HA H 44 3.681 4.105 -0.424 1
1 587 . 14 1 1 A 44 44 LEU C C 44 177.962 178.032 -0.070 1
1 588 . 14 1 1 A 44 44 LEU CA C 44 58.773 58.238 0.535 1
1 589 . 14 1 1 A 44 44 LEU CB C 44 42.661 41.378 1.283 1
1 593 . 14 1 1 A 44 44 LEU N N 44 123.643 125.755 -2.112 1
1 594 . 14 1 1 A 45 45 LYS HA H 45 4.126 4.080 0.046 1
1 603 . 14 1 1 A 45 45 LYS C C 45 175.533 176.617 -1.084 1
1 604 . 14 1 1 A 45 45 LYS CA C 45 57.405 58.128 -0.723 1
1 605 . 14 1 1 A 45 45 LYS CB C 45 31.650 32.160 -0.510 1
1 609 . 14 1 1 A 46 46 ASP H H 46 7.520 7.887 -0.367 1
1 610 . 14 1 1 A 46 46 ASP HA H 46 4.888 4.672 0.216 1
1 613 . 14 1 1 A 46 46 ASP C C 46 175.811 175.992 -0.181 1
1 614 . 14 1 1 A 46 46 ASP CA C 46 54.268 53.349 0.919 1
1 615 . 14 1 1 A 46 46 ASP CB C 46 42.178 41.078 1.100 1
1 616 . 14 1 1 A 46 46 ASP N N 46 118.587 118.853 -0.266 1
1 617 . 14 1 1 A 47 47 ILE H H 47 6.965 7.277 -0.312 1
1 618 . 14 1 1 A 47 47 ILE HA H 47 4.048 3.953 0.095 1
1 628 . 14 1 1 A 47 47 ILE C C 47 175.362 174.753 0.609 1
1 629 . 14 1 1 A 47 47 ILE CA C 47 59.826 60.495 -0.669 1
1 630 . 14 1 1 A 47 47 ILE CB C 47 34.389 36.743 -2.354 1
1 634 . 14 1 1 A 47 47 ILE N N 47 119.126 121.882 -2.756 1
1 635 . 14 1 1 A 48 48 LYS H H 48 8.489 8.660 -0.171 1
1 636 . 14 1 1 A 48 48 LYS HA H 48 4.635 4.290 0.345 1
1 645 . 14 1 1 A 48 48 LYS C C 48 177.252 177.802 -0.550 1
1 646 . 14 1 1 A 48 48 LYS CA C 48 54.357 55.914 -1.557 1
1 647 . 14 1 1 A 48 48 LYS CB C 48 34.753 33.313 1.440 1
1 651 . 14 1 1 A 48 48 LYS N N 48 127.892 127.600 0.292 1
1 652 . 14 1 1 A 49 49 ARG H H 49 8.816 8.658 0.158 1
1 653 . 14 1 1 A 49 49 ARG HA H 49 4.314 4.022 0.292 1
1 660 . 14 1 1 A 49 49 ARG C C 49 178.464 178.048 0.416 1
1 661 . 14 1 1 A 49 49 ARG CA C 49 60.341 58.769 1.572 1
1 662 . 14 1 1 A 49 49 ARG CB C 49 30.197 29.962 0.235 1
1 665 . 14 1 1 A 49 49 ARG N N 49 122.736 122.465 0.271 1
1 666 . 14 1 1 A 50 50 THR H H 50 8.269 8.038 0.231 1
1 667 . 14 1 1 A 50 50 THR HA H 50 4.079 4.027 0.052 1
1 672 . 14 1 1 A 50 50 THR C C 50 177.316 176.642 0.674 1
1 673 . 14 1 1 A 50 50 THR CA C 50 65.501 65.689 -0.188 1
1 674 . 14 1 1 A 50 50 THR CB C 50 67.951 68.483 -0.532 1
1 676 . 14 1 1 A 50 50 THR N N 50 110.696 111.576 -0.880 1
1 677 . 14 1 1 A 51 51 GLU H H 51 7.260 8.323 -1.063 1
1 678 . 14 1 1 A 51 51 GLU HA H 51 4.239 4.143 0.096 1
1 683 . 14 1 1 A 51 51 GLU C C 51 179.621 178.505 1.116 1
1 684 . 14 1 1 A 51 51 GLU CA C 51 58.921 59.321 -0.400 1
1 685 . 14 1 1 A 51 51 GLU CB C 51 29.916 29.484 0.432 1
1 687 . 14 1 1 A 51 51 GLU N N 51 121.344 122.419 -1.075 1
1 688 . 14 1 1 A 52 52 TYR H H 52 8.678 8.563 0.115 1
1 689 . 14 1 1 A 52 52 TYR HA H 52 4.376 4.286 0.090 1
1 697 . 14 1 1 A 52 52 TYR C C 52 176.120 177.788 -1.668 1
1 698 . 14 1 1 A 52 52 TYR CA C 52 62.660 61.827 0.833 1
1 699 . 14 1 1 A 52 52 TYR CB C 52 38.206 38.391 -0.185 1
1 702 . 14 1 1 A 52 52 TYR N N 52 122.483 120.763 1.720 1
1 703 . 14 1 1 A 53 53 GLN H H 53 8.801 7.956 0.845 1
1 704 . 14 1 1 A 53 53 GLN HA H 53 3.721 3.850 -0.129 1
1 711 . 14 1 1 A 53 53 GLN C C 53 177.894 178.287 -0.393 1
1 712 . 14 1 1 A 53 53 GLN CA C 53 58.111 58.755 -0.644 1
1 713 . 14 1 1 A 53 53 GLN CB C 53 28.909 28.149 0.760 1
1 715 . 14 1 1 A 53 53 GLN N N 53 118.817 118.108 0.709 1
1 717 . 14 1 1 A 54 54 LYS H H 54 7.685 7.490 0.195 1
1 718 . 14 1 1 A 54 54 LYS HA H 54 4.051 4.090 -0.039 1
1 727 . 14 1 1 A 54 54 LYS C C 54 178.918 178.482 0.436 1
1 728 . 14 1 1 A 54 54 LYS CA C 54 59.845 58.750 1.095 1
1 729 . 14 1 1 A 54 54 LYS CB C 54 32.339 32.530 -0.191 1
1 733 . 14 1 1 A 54 54 LYS N N 54 118.629 119.114 -0.485 1
1 734 . 14 1 1 A 55 55 PHE H H 55 7.533 7.721 -0.188 1
1 735 . 14 1 1 A 55 55 PHE HA H 55 3.660 4.063 -0.403 1
1 743 . 14 1 1 A 55 55 PHE C C 55 176.180 176.994 -0.814 1
1 744 . 14 1 1 A 55 55 PHE CA C 55 59.494 61.077 -1.583 1
1 745 . 14 1 1 A 55 55 PHE CB C 55 38.189 39.061 -0.872 1
1 749 . 14 1 1 A 55 55 PHE N N 55 120.449 121.409 -0.960 1
1 750 . 14 1 1 A 56 56 LEU H H 56 8.019 8.442 -0.423 1
1 751 . 14 1 1 A 56 56 LEU HA H 56 3.254 3.462 -0.208 1
1 761 . 14 1 1 A 56 56 LEU C C 56 179.581 178.714 0.867 1
1 762 . 14 1 1 A 56 56 LEU CA C 56 57.366 57.536 -0.170 1
1 763 . 14 1 1 A 56 56 LEU CB C 56 41.462 40.876 0.586 1
1 767 . 14 1 1 A 56 56 LEU N N 56 120.223 119.200 1.023 1
1 768 . 14 1 1 A 57 57 ASN H H 57 8.427 8.334 0.093 1
1 769 . 14 1 1 A 57 57 ASN HA H 57 4.324 4.202 0.122 1
1 774 . 14 1 1 A 57 57 ASN C C 57 178.105 177.704 0.401 1
1 775 . 14 1 1 A 57 57 ASN CA C 57 55.194 56.642 -1.448 1
1 776 . 14 1 1 A 57 57 ASN CB C 57 36.948 39.638 -2.690 1
1 777 . 14 1 1 A 57 57 ASN N N 57 118.422 117.772 0.650 1
1 779 . 14 1 1 A 58 58 GLU H H 58 7.873 8.144 -0.271 1
1 780 . 14 1 1 A 58 58 GLU HA H 58 4.063 4.046 0.017 1
1 785 . 14 1 1 A 58 58 GLU C C 58 179.660 178.440 1.220 1
1 786 . 14 1 1 A 58 58 GLU CA C 58 59.064 59.295 -0.231 1
1 787 . 14 1 1 A 58 58 GLU CB C 58 29.592 29.452 0.140 1
1 789 . 14 1 1 A 58 58 GLU N N 58 121.129 119.081 2.048 1
1 790 . 14 1 1 A 59 59 TYR H H 59 8.638 7.682 0.956 1
1 791 . 14 1 1 A 59 59 TYR HA H 59 3.949 4.101 -0.152 1
1 798 . 14 1 1 A 59 59 TYR C C 59 179.907 177.927 1.980 1
1 799 . 14 1 1 A 59 59 TYR CA C 59 61.870 59.809 2.061 1
1 800 . 14 1 1 A 59 59 TYR CB C 59 38.156 37.988 0.168 1
1 803 . 14 1 1 A 59 59 TYR N N 59 124.461 120.613 3.848 1
1 804 . 14 1 1 A 60 60 GLY H H 60 8.925 8.807 0.118 1
1 805 . 14 1 1 A 60 60 GLY HA2 H 60 3.947 3.612 0.335 1
1 806 . 14 1 1 A 60 60 GLY HA3 H 60 4.175 3.675 0.500 1
1 807 . 14 1 1 A 60 60 GLY C C 60 173.294 175.895 -2.601 1
1 808 . 14 1 1 A 60 60 GLY CA C 60 46.424 46.922 -0.498 1
1 809 . 14 1 1 A 60 60 GLY N N 60 107.578 106.641 0.937 1
1 810 . 14 1 1 A 61 61 LEU H H 61 7.448 7.742 -0.294 1
1 811 . 14 1 1 A 61 61 LEU HA H 61 4.238 4.054 0.184 1
1 821 . 14 1 1 A 61 61 LEU C C 61 179.159 177.815 1.344 1
1 822 . 14 1 1 A 61 61 LEU CA C 61 57.274 56.329 0.945 1
1 823 . 14 1 1 A 61 61 LEU CB C 61 42.304 41.739 0.565 1
1 827 . 14 1 1 A 61 61 LEU N N 61 118.202 122.391 -4.189 1
1 828 . 14 1 1 A 62 62 THR H H 62 6.974 7.268 -0.294 1
1 829 . 14 1 1 A 62 62 THR HA H 62 4.385 4.610 -0.225 1
1 834 . 14 1 1 A 62 62 THR C C 62 173.170 173.099 0.071 1
1 835 . 14 1 1 A 62 62 THR CA C 62 59.813 60.932 -1.119 1
1 836 . 14 1 1 A 62 62 THR CB C 62 69.697 69.865 -0.168 1
1 838 . 14 1 1 A 62 62 THR N N 62 101.223 104.789 -3.566 1
1 839 . 14 1 1 A 63 63 HIS H H 63 7.041 7.139 -0.098 1
1 840 . 14 1 1 A 63 63 HIS HA H 63 4.861 4.943 -0.082 1
1 845 . 14 1 1 A 63 63 HIS C C 63 172.567 173.704 -1.137 1
1 846 . 14 1 1 A 63 63 HIS CA C 63 55.522 54.442 1.080 1
1 847 . 14 1 1 A 63 63 HIS CB C 63 32.328 34.325 -1.997 1
1 850 . 14 1 1 A 63 63 HIS N N 63 116.818 119.495 -2.677 1
1 853 . 14 1 1 A 64 64 SER H H 64 8.717 8.748 -0.031 1
1 854 . 14 1 1 A 64 64 SER HA H 64 4.582 4.807 -0.225 1
1 857 . 14 1 1 A 64 64 SER C C 64 174.545 174.518 0.027 1
1 858 . 14 1 1 A 64 64 SER CA C 64 57.169 55.788 1.381 1
1 859 . 14 1 1 A 64 64 SER CB C 64 65.484 65.793 -0.309 1
1 860 . 14 1 1 A 64 64 SER N N 64 116.128 115.550 0.578 1
1 861 . 14 1 1 A 65 65 TYR H H 65 9.054 9.060 -0.006 1
1 862 . 14 1 1 A 65 65 TYR HA H 65 4.059 4.149 -0.090 1
1 869 . 14 1 1 A 65 65 TYR C C 65 176.918 177.458 -0.540 1
1 870 . 14 1 1 A 65 65 TYR CA C 65 61.906 62.459 -0.553 1
1 871 . 14 1 1 A 65 65 TYR CB C 65 38.185 38.536 -0.351 1
1 874 . 14 1 1 A 65 65 TYR N N 65 121.679 125.969 -4.290 1
1 875 . 14 1 1 A 66 66 GLU H H 66 8.965 8.350 0.615 1
1 876 . 14 1 1 A 66 66 GLU HA H 66 3.888 3.960 -0.072 1
1 881 . 14 1 1 A 66 66 GLU C C 66 178.764 179.006 -0.242 1
1 882 . 14 1 1 A 66 66 GLU CA C 66 59.329 59.441 -0.112 1
1 883 . 14 1 1 A 66 66 GLU CB C 66 28.874 29.647 -0.773 1
1 885 . 14 1 1 A 66 66 GLU N N 66 117.723 117.981 -0.258 1
1 886 . 14 1 1 A 67 67 THR H H 67 7.626 8.181 -0.555 1
1 887 . 14 1 1 A 67 67 THR HA H 67 3.864 4.177 -0.313 1
1 892 . 14 1 1 A 67 67 THR C C 67 176.681 176.660 0.021 1
1 893 . 14 1 1 A 67 67 THR CA C 67 66.368 65.890 0.478 1
1 894 . 14 1 1 A 67 67 THR CB C 67 68.290 68.399 -0.109 1
1 896 . 14 1 1 A 67 67 THR N N 67 116.084 113.509 2.575 1
1 897 . 14 1 1 A 68 68 ILE H H 68 8.324 7.817 0.507 1
1 898 . 14 1 1 A 68 68 ILE HA H 68 3.686 3.698 -0.012 1
1 908 . 14 1 1 A 68 68 ILE C C 68 176.527 177.258 -0.731 1
1 909 . 14 1 1 A 68 68 ILE CA C 68 65.205 62.768 2.437 1
1 910 . 14 1 1 A 68 68 ILE CB C 68 38.355 37.606 0.749 1
1 914 . 14 1 1 A 68 68 ILE N N 68 123.174 123.115 0.059 1
1 915 . 14 1 1 A 69 69 ARG H H 69 8.407 8.254 0.153 1
1 916 . 14 1 1 A 69 69 ARG HA H 69 3.673 3.670 0.003 1
1 923 . 14 1 1 A 69 69 ARG C C 69 179.687 178.555 1.132 1
1 924 . 14 1 1 A 69 69 ARG CA C 69 59.577 59.592 -0.015 1
1 925 . 14 1 1 A 69 69 ARG CB C 69 29.560 29.374 0.186 1
1 928 . 14 1 1 A 69 69 ARG N N 69 121.358 121.537 -0.179 1
1 929 . 14 1 1 A 70 70 LYS H H 70 7.562 7.870 -0.308 1
1 930 . 14 1 1 A 70 70 LYS HA H 70 3.617 3.687 -0.070 1
1 939 . 14 1 1 A 70 70 LYS C C 70 177.129 178.261 -1.132 1
1 940 . 14 1 1 A 70 70 LYS CA C 70 59.380 58.708 0.672 1
1 941 . 14 1 1 A 70 70 LYS CB C 70 31.978 32.247 -0.269 1
1 945 . 14 1 1 A 70 70 LYS N N 70 120.218 118.310 1.908 1
1 946 . 14 1 1 A 71 71 LEU H H 71 7.640 8.138 -0.498 1
1 947 . 14 1 1 A 71 71 LEU HA H 71 3.629 4.032 -0.403 1
1 957 . 14 1 1 A 71 71 LEU C C 71 178.157 178.324 -0.167 1
1 958 . 14 1 1 A 71 71 LEU CA C 71 58.477 58.229 0.248 1
1 959 . 14 1 1 A 71 71 LEU CB C 71 41.262 41.450 -0.188 1
1 963 . 14 1 1 A 71 71 LEU N N 71 119.991 121.831 -1.840 1
1 964 . 14 1 1 A 72 72 ASN H H 72 8.474 8.332 0.142 1
1 965 . 14 1 1 A 72 72 ASN HA H 72 4.485 5.137 -0.652 1
1 970 . 14 1 1 A 72 72 ASN C C 72 176.285 177.270 -0.985 1
1 971 . 14 1 1 A 72 72 ASN CA C 72 56.424 56.965 -0.541 1
1 972 . 14 1 1 A 72 72 ASN CB C 72 39.544 39.700 -0.156 1
1 973 . 14 1 1 A 72 72 ASN N N 72 114.097 117.512 -3.415 1
1 975 . 14 1 1 A 73 73 SER H H 73 7.878 7.616 0.262 1
1 976 . 14 1 1 A 73 73 SER HA H 73 4.177 4.163 0.014 1
1 979 . 14 1 1 A 73 73 SER C C 73 176.734 176.974 -0.240 1
1 980 . 14 1 1 A 73 73 SER CA C 73 61.741 61.188 0.553 1
1 981 . 14 1 1 A 73 73 SER CB C 73 62.573 62.980 -0.407 1
1 982 . 14 1 1 A 73 73 SER N N 73 115.022 113.813 1.209 1
1 983 . 14 1 1 A 74 74 TYR H H 74 8.078 7.652 0.426 1
1 984 . 14 1 1 A 74 74 TYR HA H 74 5.168 4.629 0.539 1
1 991 . 14 1 1 A 74 74 TYR C C 74 178.436 178.619 -0.183 1
1 992 . 14 1 1 A 74 74 TYR CA C 74 58.023 61.471 -3.448 1
1 993 . 14 1 1 A 74 74 TYR CB C 74 37.835 38.588 -0.753 1
1 996 . 14 1 1 A 74 74 TYR N N 74 122.937 118.530 4.407 1
1 997 . 14 1 1 A 75 75 ILE H H 75 8.264 8.632 -0.368 1
1 998 . 14 1 1 A 75 75 ILE HA H 75 3.647 4.038 -0.391 1
1 1008 . 14 1 1 A 75 75 ILE C C 75 177.656 178.130 -0.474 1
1 1009 . 14 1 1 A 75 75 ILE CA C 75 66.349 65.585 0.764 1
1 1010 . 14 1 1 A 75 75 ILE CB C 75 37.494 37.576 -0.082 1
1 1014 . 14 1 1 A 75 75 ILE N N 75 119.080 120.460 -1.380 1
1 1015 . 14 1 1 A 76 76 ARG H H 76 9.316 8.419 0.897 1
1 1016 . 14 1 1 A 76 76 ARG HA H 76 3.896 3.904 -0.008 1
1 1024 . 14 1 1 A 76 76 ARG C C 76 179.033 178.432 0.601 1
1 1025 . 14 1 1 A 76 76 ARG CA C 76 60.536 59.947 0.589 1
1 1026 . 14 1 1 A 76 76 ARG CB C 76 30.238 29.674 0.564 1
1 1029 . 14 1 1 A 76 76 ARG N N 76 121.985 120.968 1.017 1
1 1031 . 14 1 1 A 77 77 ASN H H 77 8.003 8.623 -0.620 1
1 1032 . 14 1 1 A 77 77 ASN HA H 77 4.605 4.540 0.065 1
1 1037 . 14 1 1 A 77 77 ASN C C 77 177.146 177.306 -0.160 1
1 1038 . 14 1 1 A 77 77 ASN CA C 77 55.755 56.877 -1.122 1
1 1039 . 14 1 1 A 77 77 ASN CB C 77 38.857 39.982 -1.125 1
1 1040 . 14 1 1 A 77 77 ASN N N 77 117.750 118.062 -0.312 1
1 1042 . 14 1 1 A 78 78 ALA H H 78 8.082 7.556 0.526 1
1 1043 . 14 1 1 A 78 78 ALA HA H 78 2.351 2.725 -0.374 1
1 1047 . 14 1 1 A 78 78 ALA C C 78 181.084 179.805 1.279 1
1 1048 . 14 1 1 A 78 78 ALA CA C 78 54.703 54.374 0.329 1
1 1049 . 14 1 1 A 78 78 ALA CB C 78 16.121 17.650 -1.529 1
1 1050 . 14 1 1 A 78 78 ALA N N 78 124.770 121.645 3.125 1
1 1051 . 14 1 1 A 79 79 PHE H H 79 8.603 8.040 0.563 1
1 1052 . 14 1 1 A 79 79 PHE HA H 79 3.974 4.205 -0.231 1
1 1060 . 14 1 1 A 79 79 PHE C C 79 177.841 177.803 0.038 1
1 1061 . 14 1 1 A 79 79 PHE CA C 79 63.302 61.819 1.483 1
1 1062 . 14 1 1 A 79 79 PHE CB C 79 40.594 38.524 2.070 1
1 1066 . 14 1 1 A 79 79 PHE N N 79 116.847 115.735 1.112 1
1 1067 . 14 1 1 A 80 80 ASP H H 80 8.298 8.789 -0.491 1
1 1068 . 14 1 1 A 80 80 ASP HA H 80 4.620 4.367 0.253 1
1 1071 . 14 1 1 A 80 80 ASP C C 80 179.845 178.091 1.754 1
1 1072 . 14 1 1 A 80 80 ASP CA C 80 57.957 58.009 -0.052 1
1 1073 . 14 1 1 A 80 80 ASP CB C 80 39.595 41.972 -2.377 1
1 1074 . 14 1 1 A 80 80 ASP N N 80 121.362 120.038 1.324 1
1 1075 . 14 1 1 A 81 81 ASP H H 81 8.051 8.197 -0.146 1
1 1076 . 14 1 1 A 81 81 ASP HA H 81 4.724 4.489 0.235 1
1 1079 . 14 1 1 A 81 81 ASP C C 81 177.963 178.120 -0.157 1
1 1080 . 14 1 1 A 81 81 ASP CA C 81 57.537 57.503 0.034 1
1 1081 . 14 1 1 A 81 81 ASP CB C 81 39.463 41.266 -1.803 1
1 1082 . 14 1 1 A 81 81 ASP N N 81 122.166 119.419 2.747 1
1 1083 . 14 1 1 A 82 82 ALA H H 82 8.025 7.760 0.265 1
1 1084 . 14 1 1 A 82 82 ALA HA H 82 4.106 4.285 -0.179 1
1 1088 . 14 1 1 A 82 82 ALA C C 82 180.223 180.190 0.033 1
1 1089 . 14 1 1 A 82 82 ALA CA C 82 55.194 55.326 -0.132 1
1 1090 . 14 1 1 A 82 82 ALA CB C 82 17.947 18.127 -0.180 1
1 1091 . 14 1 1 A 82 82 ALA N N 82 124.747 121.470 3.277 1
1 1092 . 14 1 1 A 83 83 ILE H H 83 8.327 8.422 -0.095 1
1 1093 . 14 1 1 A 83 83 ILE HA H 83 4.235 4.202 0.033 1
1 1103 . 14 1 1 A 83 83 ILE C C 83 180.768 178.580 2.188 1
1 1104 . 14 1 1 A 83 83 ILE CA C 83 63.966 65.049 -1.083 1
1 1105 . 14 1 1 A 83 83 ILE CB C 83 38.254 37.829 0.425 1
1 1109 . 14 1 1 A 83 83 ILE N N 83 120.907 120.082 0.825 1
1 1110 . 14 1 1 A 84 84 HIS H H 84 7.934 8.432 -0.498 1
1 1111 . 14 1 1 A 84 84 HIS HA H 84 4.434 4.186 0.248 1
1 1116 . 14 1 1 A 84 84 HIS C C 84 178.250 177.556 0.694 1
1 1117 . 14 1 1 A 84 84 HIS CA C 84 59.042 60.247 -1.205 1
1 1118 . 14 1 1 A 84 84 HIS CB C 84 28.750 29.482 -0.732 1
1 1121 . 14 1 1 A 84 84 HIS N N 84 121.346 120.338 1.008 1
1 1124 . 14 1 1 A 85 85 GLU H H 85 8.074 8.125 -0.051 1
1 1125 . 14 1 1 A 85 85 GLU HA H 85 4.192 4.059 0.133 1
1 1130 . 14 1 1 A 85 85 GLU C C 85 176.510 176.881 -0.371 1
1 1131 . 14 1 1 A 85 85 GLU CA C 85 56.512 55.873 0.639 1
1 1132 . 14 1 1 A 85 85 GLU CB C 85 30.284 29.133 1.151 1
1 1134 . 14 1 1 A 85 85 GLU N N 85 115.467 114.479 0.988 1
1 1135 . 14 1 1 A 86 86 GLY H H 86 7.715 7.561 0.154 1
1 1136 . 14 1 1 A 86 86 GLY HA2 H 86 3.844 4.007 -0.163 1
1 1137 . 14 1 1 A 86 86 GLY HA3 H 86 4.136 4.010 0.126 1
1 1138 . 14 1 1 A 86 86 GLY C C 86 175.243 174.601 0.642 1
1 1139 . 14 1 1 A 86 86 GLY CA C 86 45.108 45.608 -0.500 1
1 1140 . 14 1 1 A 86 86 GLY N N 86 105.999 108.580 -2.581 1
1 1141 . 14 1 1 A 87 87 TYR H H 87 8.173 7.997 0.176 1
1 1142 . 14 1 1 A 87 87 TYR HA H 87 4.396 4.188 0.208 1
1 1149 . 14 1 1 A 87 87 TYR CA C 87 59.317 60.837 -1.520 1
1 1150 . 14 1 1 A 87 87 TYR CB C 87 39.558 39.569 -0.011 1
1 1153 . 14 1 1 A 87 87 TYR N N 87 118.412 121.499 -3.087 1
1 1154 . 14 1 1 A 88 88 VAL HA H 88 4.583 4.343 0.240 1
1 1162 . 14 1 1 A 88 88 VAL CB C 88 36.112 34.789 1.323 1
1 1165 . 14 1 1 A 89 89 ILE HA H 89 4.426 4.038 0.388 1
1 1175 . 14 1 1 A 89 89 ILE CA C 89 61.984 62.923 -0.939 1
1 1176 . 14 1 1 A 89 89 ILE CB C 89 39.850 38.826 1.024 1
1 1180 . 14 1 1 A 90 90 LYS H H 90 7.387 7.657 -0.270 1
1 1181 . 14 1 1 A 90 90 LYS HA H 90 4.508 4.888 -0.380 1
1 1190 . 14 1 1 A 90 90 LYS C C 90 174.665 174.474 0.191 1
1 1191 . 14 1 1 A 90 90 LYS CA C 90 54.111 54.569 -0.458 1
1 1192 . 14 1 1 A 90 90 LYS CB C 90 35.086 35.658 -0.572 1
1 1196 . 14 1 1 A 91 91 ASN H H 91 8.803 8.650 0.153 1
1 1197 . 14 1 1 A 91 91 ASN HA H 91 4.279 4.893 -0.614 1
1 1202 . 14 1 1 A 91 91 ASN CB C 91 38.879 41.090 -2.211 1
1 1203 . 14 1 1 A 91 91 ASN N N 91 120.903 117.727 3.176 1
1 1205 . 14 1 1 A 92 92 PRO HA H 92 4.206 4.316 -0.110 1
1 1212 . 14 1 1 A 92 92 PRO C C 92 174.751 176.587 -1.836 1
1 1213 . 14 1 1 A 92 92 PRO CA C 92 63.927 62.126 1.801 1
1 1214 . 14 1 1 A 92 92 PRO CB C 92 30.969 31.989 -1.020 1
1 1217 . 14 1 1 A 93 93 THR H H 93 7.441 8.645 -1.204 1
1 1218 . 14 1 1 A 93 93 THR HA H 93 4.093 4.259 -0.166 1
1 1224 . 14 1 1 A 93 93 THR C C 93 175.922 174.449 1.473 1
1 1225 . 14 1 1 A 93 93 THR CA C 93 62.221 63.261 -1.040 1
1 1226 . 14 1 1 A 93 93 THR CB C 93 69.463 66.687 2.776 1
1 1228 . 14 1 1 A 93 93 THR N N 93 105.991 115.904 -9.913 1
1 1229 . 14 1 1 A 94 94 TYR H H 94 7.139 8.024 -0.885 1
1 1230 . 14 1 1 A 94 94 TYR HA H 94 4.393 4.227 0.166 1
1 1237 . 14 1 1 A 94 94 TYR C C 94 176.180 176.657 -0.477 1
1 1238 . 14 1 1 A 94 94 TYR CA C 94 58.272 60.720 -2.448 1
1 1239 . 14 1 1 A 94 94 TYR CB C 94 37.490 39.594 -2.104 1
1 1242 . 14 1 1 A 94 94 TYR N N 94 124.098 123.191 0.907 1
1 1243 . 14 1 1 A 95 95 LYS H H 95 8.904 7.820 1.084 1
1 1244 . 14 1 1 A 95 95 LYS HA H 95 3.758 4.496 -0.738 1
1 1253 . 14 1 1 A 95 95 LYS C C 95 175.547 176.342 -0.795 1
1 1254 . 14 1 1 A 95 95 LYS CA C 95 57.078 56.017 1.061 1
1 1255 . 14 1 1 A 95 95 LYS CB C 95 29.962 33.747 -3.785 1
1 1259 . 14 1 1 A 95 95 LYS N N 95 121.317 113.432 7.885 1
1 1260 . 14 1 1 A 96 96 ALA H H 96 7.583 7.436 0.147 1
1 1261 . 14 1 1 A 96 96 ALA HA H 96 4.157 4.529 -0.372 1
1 1265 . 14 1 1 A 96 96 ALA C C 96 177.630 177.628 0.002 1
1 1266 . 14 1 1 A 96 96 ALA CA C 96 53.298 52.160 1.138 1
1 1267 . 14 1 1 A 96 96 ALA CB C 96 18.807 19.803 -0.996 1
1 1268 . 14 1 1 A 96 96 ALA N N 96 121.832 122.555 -0.723 1
1 1269 . 14 1 1 A 97 97 GLU H H 97 9.243 8.620 0.623 1
1 1270 . 14 1 1 A 97 97 GLU HA H 97 4.347 4.807 -0.460 1
1 1275 . 14 1 1 A 97 97 GLU C C 97 175.890 176.384 -0.494 1
1 1276 . 14 1 1 A 97 97 GLU CA C 97 55.198 54.431 0.767 1
1 1277 . 14 1 1 A 97 97 GLU CB C 97 30.931 31.414 -0.483 1
1 1279 . 14 1 1 A 97 97 GLU N N 97 121.989 119.936 2.053 1
1 1280 . 14 1 1 A 98 98 LEU H H 98 8.401 8.815 -0.414 1
1 1281 . 14 1 1 A 98 98 LEU HA H 98 4.277 4.620 -0.343 1
1 1291 . 14 1 1 A 98 98 LEU C C 98 175.738 176.183 -0.445 1
1 1292 . 14 1 1 A 98 98 LEU CA C 98 54.337 53.858 0.479 1
1 1293 . 14 1 1 A 98 98 LEU CB C 98 41.634 42.225 -0.591 1
1 1297 . 14 1 1 A 98 98 LEU N N 98 123.414 120.509 2.905 1
1 1298 . 14 1 1 A 99 99 HIS H H 99 8.749 7.923 0.826 1
1 1299 . 14 1 1 A 99 99 HIS HA H 99 4.706 4.615 0.091 1
1 1304 . 14 1 1 A 99 99 HIS C C 99 173.912 174.811 -0.899 1
1 1305 . 14 1 1 A 99 99 HIS CA C 99 55.183 55.915 -0.732 1
1 1306 . 14 1 1 A 99 99 HIS CB C 99 29.916 30.521 -0.605 1
1 1309 . 14 1 1 A 99 99 HIS N N 99 121.129 117.450 3.679 1
1 1312 . 14 1 1 A 100 100 ALA H H 100 8.369 8.593 -0.224 1
1 1313 . 14 1 1 A 100 100 ALA HA H 100 4.518 4.805 -0.287 1
1 1317 . 14 1 1 A 100 100 ALA C C 100 177.533 177.222 0.311 1
1 1318 . 14 1 1 A 100 100 ALA CA C 100 51.753 50.283 1.470 1
1 1319 . 14 1 1 A 100 100 ALA CB C 100 20.081 21.102 -1.021 1
1 1320 . 14 1 1 A 100 100 ALA N N 100 125.646 125.356 0.290 1
1 1321 . 14 1 1 A 101 101 SER H H 101 8.357 8.900 -0.543 1
1 1322 . 14 1 1 A 101 101 SER HA H 101 4.452 4.798 -0.346 1
1 1325 . 14 1 1 A 101 101 SER C C 101 174.729 174.272 0.457 1
1 1326 . 14 1 1 A 101 101 SER CA C 101 58.781 57.963 0.818 1
1 1327 . 14 1 1 A 101 101 SER CB C 101 63.865 61.141 2.724 1
1 1328 . 14 1 1 A 101 101 SER N N 101 115.505 119.904 -4.399 1
1 1329 . 14 1 1 A 102 102 VAL H H 102 7.884 8.003 -0.119 1
1 1330 . 14 1 1 A 102 102 VAL HA H 102 4.111 4.238 -0.127 1
1 1338 . 14 1 1 A 102 102 VAL C C 102 175.837 176.042 -0.205 1
1 1339 . 14 1 1 A 102 102 VAL CA C 102 62.237 61.492 0.745 1
1 1340 . 14 1 1 A 102 102 VAL CB C 102 32.336 33.037 -0.701 1
1 1343 . 14 1 1 A 102 102 VAL N N 102 120.880 120.868 0.012 1
1 1344 . 14 1 1 A 103 103 LEU H H 103 8.170 7.285 0.885 1
1 1345 . 14 1 1 A 103 103 LEU HA H 103 4.299 4.660 -0.361 1
1 1355 . 14 1 1 A 103 103 LEU C C 103 177.129 177.176 -0.047 1
1 1356 . 14 1 1 A 103 103 LEU CA C 103 54.999 54.564 0.435 1
1 1357 . 14 1 1 A 103 103 LEU CB C 103 42.276 42.863 -0.587 1
1 1361 . 14 1 1 A 103 103 LEU N N 103 124.757 121.320 3.437 1
1 1362 . 14 1 1 A 104 104 GLU H H 104 8.244 7.882 0.362 1
1 1363 . 14 1 1 A 104 104 GLU HA H 104 4.175 4.128 0.047 1
1 1368 . 14 1 1 A 104 104 GLU C C 104 176.153 176.921 -0.768 1
1 1369 . 14 1 1 A 104 104 GLU CA C 104 56.413 58.559 -2.146 1
1 1370 . 14 1 1 A 104 104 GLU CB C 104 30.270 29.672 0.598 1
1 1372 . 14 1 1 A 104 104 GLU N N 104 121.146 120.774 0.372 1
1 1373 . 14 1 1 A 105 105 HIS H H 105 8.242 8.044 0.198 1
1 1376 . 14 1 1 A 105 105 HIS C C 105 174.967 175.331 -0.364 1
1 1377 . 14 1 1 A 105 105 HIS CA C 105 56.137 56.770 -0.633 1
1 1378 . 14 1 1 A 105 105 HIS CB C 105 30.290 28.632 1.658 1
1 13 . 15 1 1 A 2 2 ILE HA H 2 4.615 5.134 -0.519 1
1 23 . 15 1 1 A 2 2 ILE C C 2 175.630 175.348 0.282 1
1 24 . 15 1 1 A 2 2 ILE CA C 2 60.619 58.708 1.911 1
1 25 . 15 1 1 A 2 2 ILE CB C 2 40.542 41.614 -1.072 1
1 29 . 15 1 1 A 3 3 THR H H 3 9.133 8.647 0.486 1
1 30 . 15 1 1 A 3 3 THR HA H 3 4.656 4.769 -0.113 1
1 36 . 15 1 1 A 3 3 THR C C 3 174.729 175.793 -1.064 1
1 37 . 15 1 1 A 3 3 THR CA C 3 61.509 61.968 -0.459 1
1 38 . 15 1 1 A 3 3 THR CB C 3 69.896 69.847 0.049 1
1 40 . 15 1 1 A 3 3 THR N N 3 119.091 117.800 1.291 1
1 41 . 15 1 1 A 4 4 PHE H H 4 8.642 9.525 -0.883 1
1 42 . 15 1 1 A 4 4 PHE HA H 4 4.576 4.163 0.413 1
1 50 . 15 1 1 A 4 4 PHE C C 4 176.302 177.302 -1.000 1
1 51 . 15 1 1 A 4 4 PHE CA C 4 58.368 62.605 -4.237 1
1 52 . 15 1 1 A 4 4 PHE CB C 4 37.526 39.471 -1.945 1
1 56 . 15 1 1 A 4 4 PHE N N 4 122.510 123.238 -0.728 1
1 57 . 15 1 1 A 5 5 ALA H H 5 9.195 8.356 0.839 1
1 58 . 15 1 1 A 5 5 ALA HA H 5 3.692 3.950 -0.258 1
1 62 . 15 1 1 A 5 5 ALA C C 5 178.210 180.206 -1.996 1
1 63 . 15 1 1 A 5 5 ALA CA C 5 56.073 55.084 0.989 1
1 64 . 15 1 1 A 5 5 ALA CB C 5 17.897 18.011 -0.114 1
1 65 . 15 1 1 A 5 5 ALA N N 5 120.106 121.492 -1.386 1
1 66 . 15 1 1 A 6 6 ASP H H 6 7.978 8.252 -0.274 1
1 67 . 15 1 1 A 6 6 ASP HA H 6 4.615 4.616 -0.001 1
1 70 . 15 1 1 A 6 6 ASP C C 6 179.370 178.524 0.846 1
1 71 . 15 1 1 A 6 6 ASP CA C 6 57.369 57.542 -0.173 1
1 72 . 15 1 1 A 6 6 ASP CB C 6 39.556 40.330 -0.774 1
1 73 . 15 1 1 A 6 6 ASP N N 6 115.486 118.429 -2.943 1
1 74 . 15 1 1 A 7 7 TYR H H 7 8.776 8.196 0.580 1
1 75 . 15 1 1 A 7 7 TYR HA H 7 3.984 4.318 -0.334 1
1 82 . 15 1 1 A 7 7 TYR C C 7 176.232 177.519 -1.287 1
1 83 . 15 1 1 A 7 7 TYR CA C 7 62.241 61.495 0.746 1
1 84 . 15 1 1 A 7 7 TYR CB C 7 38.521 38.416 0.105 1
1 87 . 15 1 1 A 7 7 TYR N N 7 120.885 122.861 -1.976 1
1 88 . 15 1 1 A 8 8 PHE H H 8 9.024 8.372 0.652 1
1 89 . 15 1 1 A 8 8 PHE HA H 8 3.732 3.936 -0.204 1
1 97 . 15 1 1 A 8 8 PHE C C 8 176.261 176.889 -0.628 1
1 98 . 15 1 1 A 8 8 PHE CA C 8 62.936 61.759 1.177 1
1 99 . 15 1 1 A 8 8 PHE CB C 8 39.553 38.602 0.951 1
1 103 . 15 1 1 A 8 8 PHE N N 8 118.754 120.840 -2.086 1
1 104 . 15 1 1 A 9 9 TYR H H 9 8.202 8.067 0.135 1
1 105 . 15 1 1 A 9 9 TYR HA H 9 3.742 3.937 -0.195 1
1 112 . 15 1 1 A 9 9 TYR C C 9 176.496 177.785 -1.289 1
1 113 . 15 1 1 A 9 9 TYR CA C 9 62.939 61.170 1.769 1
1 114 . 15 1 1 A 9 9 TYR CB C 9 37.941 37.932 0.009 1
1 117 . 15 1 1 A 9 9 TYR N N 9 117.271 120.198 -2.927 1
1 118 . 15 1 1 A 10 10 GLN H H 10 8.029 8.191 -0.162 1
1 119 . 15 1 1 A 10 10 GLN HA H 10 3.928 3.838 0.090 1
1 126 . 15 1 1 A 10 10 GLN C C 10 177.393 177.980 -0.587 1
1 127 . 15 1 1 A 10 10 GLN CA C 10 58.717 58.407 0.310 1
1 128 . 15 1 1 A 10 10 GLN CB C 10 28.482 27.822 0.660 1
1 130 . 15 1 1 A 10 10 GLN N N 10 117.935 117.475 0.460 1
1 132 . 15 1 1 A 11 11 TRP H H 11 8.772 8.162 0.610 1
1 133 . 15 1 1 A 11 11 TRP HA H 11 3.690 4.067 -0.377 1
1 142 . 15 1 1 A 11 11 TRP C C 11 178.487 177.496 0.991 1
1 143 . 15 1 1 A 11 11 TRP CA C 11 61.256 60.600 0.656 1
1 144 . 15 1 1 A 11 11 TRP CB C 11 27.472 29.197 -1.725 1
1 150 . 15 1 1 A 11 11 TRP N N 11 121.577 121.783 -0.206 1
1 152 . 15 1 1 A 12 12 TYR H H 12 8.168 7.715 0.453 1
1 153 . 15 1 1 A 12 12 TYR HA H 12 2.938 3.304 -0.366 1
1 160 . 15 1 1 A 12 12 TYR C C 12 177.277 177.051 0.226 1
1 161 . 15 1 1 A 12 12 TYR CA C 12 59.178 60.728 -1.550 1
1 162 . 15 1 1 A 12 12 TYR CB C 12 36.729 37.938 -1.209 1
1 165 . 15 1 1 A 12 12 TYR N N 12 121.811 120.798 1.013 1
1 166 . 15 1 1 A 13 13 GLU H H 13 8.434 7.985 0.449 1
1 167 . 15 1 1 A 13 13 GLU HA H 13 2.996 3.351 -0.355 1
1 172 . 15 1 1 A 13 13 GLU C C 13 177.157 178.567 -1.410 1
1 173 . 15 1 1 A 13 13 GLU CA C 13 59.164 58.774 0.390 1
1 174 . 15 1 1 A 13 13 GLU CB C 13 29.447 29.015 0.432 1
1 176 . 15 1 1 A 13 13 GLU N N 13 123.599 118.754 4.845 1
1 177 . 15 1 1 A 14 14 VAL H H 14 7.605 7.367 0.238 1
1 178 . 15 1 1 A 14 14 VAL HA H 14 3.562 3.526 0.036 1
1 186 . 15 1 1 A 14 14 VAL C C 14 177.289 176.353 0.936 1
1 187 . 15 1 1 A 14 14 VAL CA C 14 64.338 65.496 -1.158 1
1 188 . 15 1 1 A 14 14 VAL CB C 14 32.669 30.907 1.762 1
1 191 . 15 1 1 A 14 14 VAL N N 14 113.566 119.437 -5.871 1
1 192 . 15 1 1 A 15 15 ASN H H 15 7.482 7.275 0.207 1
1 193 . 15 1 1 A 15 15 ASN HA H 15 4.429 4.626 -0.197 1
1 198 . 15 1 1 A 15 15 ASN C C 15 175.201 176.515 -1.314 1
1 199 . 15 1 1 A 15 15 ASN CA C 15 55.218 53.703 1.515 1
1 200 . 15 1 1 A 15 15 ASN CB C 15 39.927 38.988 0.939 1
1 201 . 15 1 1 A 15 15 ASN N N 15 112.195 117.343 -5.148 1
1 203 . 15 1 1 A 16 16 LYS H H 16 7.413 7.367 0.046 1
1 204 . 15 1 1 A 16 16 LYS HA H 16 4.338 4.090 0.248 1
1 213 . 15 1 1 A 16 16 LYS C C 16 175.309 177.931 -2.622 1
1 214 . 15 1 1 A 16 16 LYS CA C 16 54.807 57.274 -2.467 1
1 215 . 15 1 1 A 16 16 LYS CB C 16 32.665 32.111 0.554 1
1 219 . 15 1 1 A 16 16 LYS N N 16 115.814 118.485 -2.671 1
1 220 . 15 1 1 A 17 17 LEU H H 17 7.490 7.087 0.403 1
1 221 . 15 1 1 A 17 17 LEU HA H 17 3.603 3.452 0.151 1
1 231 . 15 1 1 A 17 17 LEU C C 17 173.754 177.229 -3.475 1
1 232 . 15 1 1 A 17 17 LEU CA C 17 59.847 59.521 0.326 1
1 233 . 15 1 1 A 17 17 LEU CB C 17 39.552 39.543 0.009 1
1 237 . 15 1 1 A 17 17 LEU N N 17 121.586 120.908 0.678 1
1 238 . 15 1 1 A 18 18 PRO HA H 18 4.107 4.212 -0.105 1
1 245 . 15 1 1 A 18 18 PRO C C 18 176.412 176.462 -0.050 1
1 246 . 15 1 1 A 18 18 PRO CA C 18 64.656 64.017 0.639 1
1 247 . 15 1 1 A 18 18 PRO CB C 18 30.980 31.831 -0.851 1
1 250 . 15 1 1 A 19 19 HIS H H 19 7.631 7.686 -0.055 1
1 251 . 15 1 1 A 19 19 HIS HA H 19 4.857 4.726 0.131 1
1 256 . 15 1 1 A 19 19 HIS C C 19 175.822 175.157 0.665 1
1 257 . 15 1 1 A 19 19 HIS CA C 19 55.004 55.578 -0.574 1
1 258 . 15 1 1 A 19 19 HIS CB C 19 32.358 31.183 1.175 1
1 260 . 15 1 1 A 19 19 HIS N N 19 111.190 116.959 -5.769 1
1 263 . 15 1 1 A 20 20 VAL H H 20 7.124 6.847 0.277 1
1 264 . 15 1 1 A 20 20 VAL HA H 20 4.728 4.805 -0.077 1
1 272 . 15 1 1 A 20 20 VAL C C 20 175.497 175.297 0.200 1
1 273 . 15 1 1 A 20 20 VAL CA C 20 60.134 59.121 1.013 1
1 274 . 15 1 1 A 20 20 VAL CB C 20 34.199 34.650 -0.451 1
1 277 . 15 1 1 A 20 20 VAL N N 20 112.191 114.587 -2.396 1
1 278 . 15 1 1 A 21 21 SER H H 21 8.589 8.531 0.058 1
1 279 . 15 1 1 A 21 21 SER HA H 21 4.531 4.608 -0.077 1
1 282 . 15 1 1 A 21 21 SER C C 21 174.840 175.739 -0.899 1
1 283 . 15 1 1 A 21 21 SER CA C 21 57.236 57.971 -0.735 1
1 284 . 15 1 1 A 21 21 SER CB C 21 65.251 64.525 0.726 1
1 285 . 15 1 1 A 21 21 SER N N 21 116.825 119.227 -2.402 1
1 286 . 15 1 1 A 22 22 GLU H H 22 8.964 9.127 -0.163 1
1 287 . 15 1 1 A 22 22 GLU HA H 22 3.922 4.203 -0.281 1
1 292 . 15 1 1 A 22 22 GLU C C 22 178.606 178.609 -0.003 1
1 293 . 15 1 1 A 22 22 GLU CA C 22 59.837 59.433 0.404 1
1 294 . 15 1 1 A 22 22 GLU CB C 22 29.239 29.184 0.055 1
1 296 . 15 1 1 A 22 22 GLU N N 22 120.863 124.772 -3.909 1
1 297 . 15 1 1 A 23 23 SER H H 23 8.426 8.326 0.100 1
1 298 . 15 1 1 A 23 23 SER HA H 23 4.151 4.301 -0.150 1
1 301 . 15 1 1 A 23 23 SER C C 23 176.977 177.481 -0.504 1
1 302 . 15 1 1 A 23 23 SER CA C 23 61.220 61.721 -0.501 1
1 303 . 15 1 1 A 23 23 SER CB C 23 62.252 62.497 -0.245 1
1 304 . 15 1 1 A 23 23 SER N N 23 112.196 114.603 -2.407 1
1 305 . 15 1 1 A 24 24 THR H H 24 7.749 8.134 -0.385 1
1 306 . 15 1 1 A 24 24 THR HA H 24 4.163 4.189 -0.026 1
1 311 . 15 1 1 A 24 24 THR C C 24 176.523 177.124 -0.601 1
1 312 . 15 1 1 A 24 24 THR CA C 24 66.045 66.671 -0.626 1
1 313 . 15 1 1 A 24 24 THR CB C 24 68.305 68.243 0.062 1
1 315 . 15 1 1 A 24 24 THR N N 24 120.348 117.285 3.063 1
1 316 . 15 1 1 A 25 25 LYS H H 25 8.605 8.078 0.527 1
1 317 . 15 1 1 A 25 25 LYS HA H 25 4.064 4.196 -0.132 1
1 326 . 15 1 1 A 25 25 LYS C C 25 178.447 179.879 -1.432 1
1 327 . 15 1 1 A 25 25 LYS CA C 25 61.087 60.254 0.833 1
1 328 . 15 1 1 A 25 25 LYS CB C 25 32.717 32.403 0.314 1
1 332 . 15 1 1 A 25 25 LYS N N 25 123.593 120.556 3.037 1
1 333 . 15 1 1 A 26 26 ARG H H 26 7.485 7.691 -0.206 1
1 334 . 15 1 1 A 26 26 ARG HA H 26 4.146 4.116 0.030 1
1 341 . 15 1 1 A 26 26 ARG C C 26 179.845 179.252 0.593 1
1 342 . 15 1 1 A 26 26 ARG CA C 26 58.916 59.908 -0.992 1
1 343 . 15 1 1 A 26 26 ARG CB C 26 30.384 29.738 0.646 1
1 346 . 15 1 1 A 26 26 ARG N N 26 114.116 119.388 -5.272 1
1 347 . 15 1 1 A 27 27 HIS H H 27 7.677 8.054 -0.377 1
1 348 . 15 1 1 A 27 27 HIS HA H 27 4.757 4.411 0.346 1
1 353 . 15 1 1 A 27 27 HIS C C 27 179.743 177.573 2.170 1
1 354 . 15 1 1 A 27 27 HIS CA C 27 58.659 59.042 -0.383 1
1 355 . 15 1 1 A 27 27 HIS CB C 27 30.967 30.297 0.670 1
1 358 . 15 1 1 A 27 27 HIS N N 27 119.389 118.565 0.824 1
1 361 . 15 1 1 A 28 28 TYR H H 28 8.119 7.927 0.192 1
1 362 . 15 1 1 A 28 28 TYR HA H 28 4.009 4.147 -0.138 1
1 369 . 15 1 1 A 28 28 TYR C C 28 178.685 178.524 0.161 1
1 370 . 15 1 1 A 28 28 TYR CA C 28 63.311 61.823 1.488 1
1 371 . 15 1 1 A 28 28 TYR CB C 28 38.879 37.645 1.234 1
1 374 . 15 1 1 A 28 28 TYR N N 28 121.786 116.920 4.866 1
1 375 . 15 1 1 A 29 29 GLU H H 29 8.631 8.640 -0.009 1
1 376 . 15 1 1 A 29 29 GLU HA H 29 4.067 4.239 -0.172 1
1 381 . 15 1 1 A 29 29 GLU C C 29 179.950 178.750 1.200 1
1 382 . 15 1 1 A 29 29 GLU CA C 29 59.827 60.041 -0.214 1
1 383 . 15 1 1 A 29 29 GLU CB C 29 29.172 29.670 -0.498 1
1 385 . 15 1 1 A 29 29 GLU N N 29 119.090 120.638 -1.548 1
1 386 . 15 1 1 A 30 30 SER H H 30 8.307 8.690 -0.383 1
1 387 . 15 1 1 A 30 30 SER HA H 30 4.467 4.213 0.254 1
1 390 . 15 1 1 A 30 30 SER C C 30 177.445 176.369 1.076 1
1 391 . 15 1 1 A 30 30 SER CA C 30 61.068 62.098 -1.030 1
1 392 . 15 1 1 A 30 30 SER CB C 30 63.054 62.913 0.141 1
1 393 . 15 1 1 A 30 30 SER N N 30 115.027 116.735 -1.708 1
1 394 . 15 1 1 A 31 31 ALA H H 31 8.319 8.101 0.218 1
1 395 . 15 1 1 A 31 31 ALA HA H 31 4.070 4.206 -0.136 1
1 399 . 15 1 1 A 31 31 ALA C C 31 178.488 179.310 -0.822 1
1 400 . 15 1 1 A 31 31 ALA CA C 31 55.926 55.118 0.808 1
1 401 . 15 1 1 A 31 31 ALA CB C 31 18.510 19.072 -0.562 1
1 402 . 15 1 1 A 31 31 ALA N N 31 124.966 123.571 1.395 1
1 403 . 15 1 1 A 32 32 TYR H H 32 8.537 9.153 -0.616 1
1 404 . 15 1 1 A 32 32 TYR HA H 32 4.114 4.136 -0.022 1
1 411 . 15 1 1 A 32 32 TYR C C 32 175.705 177.778 -2.073 1
1 412 . 15 1 1 A 32 32 TYR CA C 32 60.480 61.688 -1.208 1
1 413 . 15 1 1 A 32 32 TYR CB C 32 37.864 39.076 -1.212 1
1 416 . 15 1 1 A 32 32 TYR N N 32 116.814 120.417 -3.603 1
1 417 . 15 1 1 A 33 33 LYS H H 33 7.988 8.578 -0.590 1
1 418 . 15 1 1 A 33 33 LYS HA H 33 3.513 3.786 -0.273 1
1 427 . 15 1 1 A 33 33 LYS C C 33 178.474 178.622 -0.148 1
1 428 . 15 1 1 A 33 33 LYS CA C 33 59.810 58.815 0.995 1
1 429 . 15 1 1 A 33 33 LYS CB C 33 32.000 31.877 0.123 1
1 433 . 15 1 1 A 33 33 LYS N N 33 119.358 118.588 0.770 1
1 434 . 15 1 1 A 34 34 HIS H H 34 8.187 7.727 0.460 1
1 435 . 15 1 1 A 34 34 HIS HA H 34 4.449 4.635 -0.186 1
1 440 . 15 1 1 A 34 34 HIS C C 34 178.948 177.993 0.955 1
1 441 . 15 1 1 A 34 34 HIS CA C 34 60.883 60.286 0.597 1
1 442 . 15 1 1 A 34 34 HIS CB C 34 28.843 31.166 -2.323 1
1 445 . 15 1 1 A 34 34 HIS N N 34 116.156 118.569 -2.413 1
1 448 . 15 1 1 A 35 35 ILE H H 35 8.676 8.436 0.240 1
1 449 . 15 1 1 A 35 35 ILE HA H 35 3.513 3.421 0.092 1
1 459 . 15 1 1 A 35 35 ILE C C 35 177.630 178.478 -0.848 1
1 460 . 15 1 1 A 35 35 ILE CA C 35 65.690 65.388 0.302 1
1 461 . 15 1 1 A 35 35 ILE CB C 35 38.481 37.607 0.874 1
1 465 . 15 1 1 A 35 35 ILE N N 35 121.824 120.217 1.607 1
1 466 . 15 1 1 A 36 36 LYS H H 36 8.797 8.192 0.605 1
1 467 . 15 1 1 A 36 36 LYS HA H 36 3.712 4.092 -0.380 1
1 476 . 15 1 1 A 36 36 LYS C C 36 179.397 178.541 0.856 1
1 477 . 15 1 1 A 36 36 LYS CA C 36 59.860 58.893 0.967 1
1 478 . 15 1 1 A 36 36 LYS CB C 36 31.878 31.550 0.328 1
1 482 . 15 1 1 A 36 36 LYS N N 36 121.589 120.477 1.112 1
1 483 . 15 1 1 A 37 37 ASP H H 37 8.246 7.934 0.312 1
1 484 . 15 1 1 A 37 37 ASP HA H 37 4.336 4.379 -0.043 1
1 487 . 15 1 1 A 37 37 ASP C C 37 177.234 178.185 -0.951 1
1 488 . 15 1 1 A 37 37 ASP CA C 37 56.932 57.193 -0.261 1
1 489 . 15 1 1 A 37 37 ASP CB C 37 40.576 41.481 -0.905 1
1 490 . 15 1 1 A 37 37 ASP N N 37 118.225 120.688 -2.463 1
1 491 . 15 1 1 A 38 38 HIS H H 38 7.867 7.677 0.190 1
1 492 . 15 1 1 A 38 38 HIS HA H 38 4.284 4.393 -0.109 1
1 496 . 15 1 1 A 38 38 HIS C C 38 176.839 175.817 1.022 1
1 497 . 15 1 1 A 38 38 HIS CA C 38 59.389 59.047 0.342 1
1 498 . 15 1 1 A 38 38 HIS CB C 38 31.630 30.837 0.793 1
1 500 . 15 1 1 A 38 38 HIS N N 38 115.487 115.821 -0.334 1
1 501 . 15 1 1 A 39 39 PHE H H 39 9.082 8.599 0.483 1
1 502 . 15 1 1 A 39 39 PHE HA H 39 4.369 4.719 -0.350 1
1 510 . 15 1 1 A 39 39 PHE C C 39 175.890 175.068 0.822 1
1 511 . 15 1 1 A 39 39 PHE CA C 39 60.159 56.251 3.908 1
1 512 . 15 1 1 A 39 39 PHE CB C 39 38.850 36.865 1.985 1
1 516 . 15 1 1 A 39 39 PHE N N 39 114.327 115.885 -1.558 1
1 517 . 15 1 1 A 40 40 ARG H H 40 8.104 7.763 0.341 1
1 518 . 15 1 1 A 40 40 ARG HA H 40 3.921 4.257 -0.336 1
1 525 . 15 1 1 A 40 40 ARG C C 40 176.892 176.700 0.192 1
1 526 . 15 1 1 A 40 40 ARG CA C 40 58.009 57.055 0.954 1
1 527 . 15 1 1 A 40 40 ARG CB C 40 27.531 30.299 -2.768 1
1 530 . 15 1 1 A 40 40 ARG N N 40 118.379 122.360 -3.981 1
1 531 . 15 1 1 A 41 41 HIS H H 41 8.589 8.856 -0.267 1
1 532 . 15 1 1 A 41 41 HIS HA H 41 4.910 4.089 0.821 1
1 536 . 15 1 1 A 41 41 HIS C C 41 174.835 174.169 0.666 1
1 537 . 15 1 1 A 41 41 HIS CA C 41 55.473 57.049 -1.576 1
1 538 . 15 1 1 A 41 41 HIS CB C 41 29.720 26.792 2.928 1
1 540 . 15 1 1 A 41 41 HIS N N 41 123.828 118.926 4.902 1
1 541 . 15 1 1 A 42 42 LYS H H 42 8.326 7.907 0.419 1
1 542 . 15 1 1 A 42 42 LYS HA H 42 4.181 4.391 -0.210 1
1 551 . 15 1 1 A 42 42 LYS C C 42 177.973 177.064 0.909 1
1 552 . 15 1 1 A 42 42 LYS CA C 42 58.201 56.523 1.678 1
1 553 . 15 1 1 A 42 42 LYS CB C 42 33.047 33.690 -0.643 1
1 557 . 15 1 1 A 42 42 LYS N N 42 121.129 119.255 1.874 1
1 558 . 15 1 1 A 43 43 LEU H H 43 9.243 8.591 0.652 1
1 559 . 15 1 1 A 43 43 LEU HA H 43 4.346 4.551 -0.205 1
1 569 . 15 1 1 A 43 43 LEU C C 43 177.840 178.043 -0.203 1
1 570 . 15 1 1 A 43 43 LEU CA C 43 55.420 54.774 0.646 1
1 571 . 15 1 1 A 43 43 LEU CB C 43 40.936 42.302 -1.366 1
1 575 . 15 1 1 A 43 43 LEU N N 43 124.529 127.318 -2.789 1
1 576 . 15 1 1 A 44 44 LEU H H 44 8.404 8.824 -0.420 1
1 577 . 15 1 1 A 44 44 LEU HA H 44 3.681 4.216 -0.535 1
1 587 . 15 1 1 A 44 44 LEU C C 44 177.962 177.969 -0.007 1
1 588 . 15 1 1 A 44 44 LEU CA C 44 58.773 58.667 0.106 1
1 589 . 15 1 1 A 44 44 LEU CB C 44 42.661 41.184 1.477 1
1 593 . 15 1 1 A 44 44 LEU N N 44 123.643 126.193 -2.550 1
1 594 . 15 1 1 A 45 45 LYS HA H 45 4.126 4.165 -0.039 1
1 603 . 15 1 1 A 45 45 LYS C C 45 175.533 177.401 -1.868 1
1 604 . 15 1 1 A 45 45 LYS CA C 45 57.405 57.948 -0.543 1
1 605 . 15 1 1 A 45 45 LYS CB C 45 31.650 32.536 -0.886 1
1 609 . 15 1 1 A 46 46 ASP H H 46 7.520 7.774 -0.254 1
1 610 . 15 1 1 A 46 46 ASP HA H 46 4.888 4.688 0.200 1
1 613 . 15 1 1 A 46 46 ASP C C 46 175.811 176.340 -0.529 1
1 614 . 15 1 1 A 46 46 ASP CA C 46 54.268 54.394 -0.126 1
1 615 . 15 1 1 A 46 46 ASP CB C 46 42.178 41.304 0.874 1
1 616 . 15 1 1 A 46 46 ASP N N 46 118.587 118.950 -0.363 1
1 617 . 15 1 1 A 47 47 ILE H H 47 6.965 7.214 -0.249 1
1 618 . 15 1 1 A 47 47 ILE HA H 47 4.048 3.852 0.196 1
1 628 . 15 1 1 A 47 47 ILE C C 47 175.362 175.537 -0.175 1
1 629 . 15 1 1 A 47 47 ILE CA C 47 59.826 61.937 -2.111 1
1 630 . 15 1 1 A 47 47 ILE CB C 47 34.389 37.582 -3.193 1
1 634 . 15 1 1 A 47 47 ILE N N 47 119.126 121.987 -2.861 1
1 635 . 15 1 1 A 48 48 LYS H H 48 8.489 8.909 -0.420 1
1 636 . 15 1 1 A 48 48 LYS HA H 48 4.635 4.600 0.035 1
1 645 . 15 1 1 A 48 48 LYS C C 48 177.252 177.440 -0.188 1
1 646 . 15 1 1 A 48 48 LYS CA C 48 54.357 54.252 0.105 1
1 647 . 15 1 1 A 48 48 LYS CB C 48 34.753 34.663 0.090 1
1 651 . 15 1 1 A 48 48 LYS N N 48 127.892 127.431 0.461 1
1 652 . 15 1 1 A 49 49 ARG H H 49 8.816 8.905 -0.089 1
1 653 . 15 1 1 A 49 49 ARG HA H 49 4.314 4.462 -0.148 1
1 660 . 15 1 1 A 49 49 ARG C C 49 178.464 178.277 0.187 1
1 661 . 15 1 1 A 49 49 ARG CA C 49 60.341 58.946 1.395 1
1 662 . 15 1 1 A 49 49 ARG CB C 49 30.197 30.094 0.103 1
1 665 . 15 1 1 A 49 49 ARG N N 49 122.736 122.074 0.662 1
1 666 . 15 1 1 A 50 50 THR H H 50 8.269 8.182 0.087 1
1 667 . 15 1 1 A 50 50 THR HA H 50 4.079 4.110 -0.031 1
1 672 . 15 1 1 A 50 50 THR C C 50 177.316 176.855 0.461 1
1 673 . 15 1 1 A 50 50 THR CA C 50 65.501 65.353 0.148 1
1 674 . 15 1 1 A 50 50 THR CB C 50 67.951 68.207 -0.256 1
1 676 . 15 1 1 A 50 50 THR N N 50 110.696 111.071 -0.375 1
1 677 . 15 1 1 A 51 51 GLU H H 51 7.260 8.150 -0.890 1
1 678 . 15 1 1 A 51 51 GLU HA H 51 4.239 4.139 0.100 1
1 683 . 15 1 1 A 51 51 GLU C C 51 179.621 178.800 0.821 1
1 684 . 15 1 1 A 51 51 GLU CA C 51 58.921 59.237 -0.316 1
1 685 . 15 1 1 A 51 51 GLU CB C 51 29.916 29.218 0.698 1
1 687 . 15 1 1 A 51 51 GLU N N 51 121.344 122.242 -0.898 1
1 688 . 15 1 1 A 52 52 TYR H H 52 8.678 8.665 0.013 1
1 689 . 15 1 1 A 52 52 TYR HA H 52 4.376 4.377 -0.001 1
1 697 . 15 1 1 A 52 52 TYR C C 52 176.120 177.772 -1.652 1
1 698 . 15 1 1 A 52 52 TYR CA C 52 62.660 61.633 1.027 1
1 699 . 15 1 1 A 52 52 TYR CB C 52 38.206 38.589 -0.383 1
1 702 . 15 1 1 A 52 52 TYR N N 52 122.483 121.219 1.264 1
1 703 . 15 1 1 A 53 53 GLN H H 53 8.801 8.303 0.498 1
1 704 . 15 1 1 A 53 53 GLN HA H 53 3.721 3.793 -0.072 1
1 711 . 15 1 1 A 53 53 GLN C C 53 177.894 177.867 0.027 1
1 712 . 15 1 1 A 53 53 GLN CA C 53 58.111 58.781 -0.670 1
1 713 . 15 1 1 A 53 53 GLN CB C 53 28.909 28.258 0.651 1
1 715 . 15 1 1 A 53 53 GLN N N 53 118.817 118.387 0.430 1
1 717 . 15 1 1 A 54 54 LYS H H 54 7.685 7.381 0.304 1
1 718 . 15 1 1 A 54 54 LYS HA H 54 4.051 4.077 -0.026 1
1 727 . 15 1 1 A 54 54 LYS C C 54 178.918 178.921 -0.003 1
1 728 . 15 1 1 A 54 54 LYS CA C 54 59.845 59.093 0.752 1
1 729 . 15 1 1 A 54 54 LYS CB C 54 32.339 32.100 0.239 1
1 733 . 15 1 1 A 54 54 LYS N N 54 118.629 119.014 -0.385 1
1 734 . 15 1 1 A 55 55 PHE H H 55 7.533 7.534 -0.001 1
1 735 . 15 1 1 A 55 55 PHE HA H 55 3.660 3.872 -0.212 1
1 743 . 15 1 1 A 55 55 PHE C C 55 176.180 177.107 -0.927 1
1 744 . 15 1 1 A 55 55 PHE CA C 55 59.494 61.134 -1.640 1
1 745 . 15 1 1 A 55 55 PHE CB C 55 38.189 39.153 -0.964 1
1 749 . 15 1 1 A 55 55 PHE N N 55 120.449 120.414 0.035 1
1 750 . 15 1 1 A 56 56 LEU H H 56 8.019 8.246 -0.227 1
1 751 . 15 1 1 A 56 56 LEU HA H 56 3.254 3.595 -0.341 1
1 761 . 15 1 1 A 56 56 LEU C C 56 179.581 178.954 0.627 1
1 762 . 15 1 1 A 56 56 LEU CA C 56 57.366 57.572 -0.206 1
1 763 . 15 1 1 A 56 56 LEU CB C 56 41.462 40.916 0.546 1
1 767 . 15 1 1 A 56 56 LEU N N 56 120.223 119.476 0.747 1
1 768 . 15 1 1 A 57 57 ASN H H 57 8.427 8.797 -0.370 1
1 769 . 15 1 1 A 57 57 ASN HA H 57 4.324 4.399 -0.075 1
1 774 . 15 1 1 A 57 57 ASN C C 57 178.105 178.369 -0.264 1
1 775 . 15 1 1 A 57 57 ASN CA C 57 55.194 56.537 -1.343 1
1 776 . 15 1 1 A 57 57 ASN CB C 57 36.948 37.758 -0.810 1
1 777 . 15 1 1 A 57 57 ASN N N 57 118.422 118.020 0.402 1
1 779 . 15 1 1 A 58 58 GLU H H 58 7.873 7.890 -0.017 1
1 780 . 15 1 1 A 58 58 GLU HA H 58 4.063 4.018 0.045 1
1 785 . 15 1 1 A 58 58 GLU C C 58 179.660 178.561 1.099 1
1 786 . 15 1 1 A 58 58 GLU CA C 58 59.064 59.073 -0.009 1
1 787 . 15 1 1 A 58 58 GLU CB C 58 29.592 29.374 0.218 1
1 789 . 15 1 1 A 58 58 GLU N N 58 121.129 119.032 2.097 1
1 790 . 15 1 1 A 59 59 TYR H H 59 8.638 7.833 0.805 1
1 791 . 15 1 1 A 59 59 TYR HA H 59 3.949 3.946 0.003 1
1 798 . 15 1 1 A 59 59 TYR C C 59 179.907 178.162 1.745 1
1 799 . 15 1 1 A 59 59 TYR CA C 59 61.870 61.100 0.770 1
1 800 . 15 1 1 A 59 59 TYR CB C 59 38.156 38.101 0.055 1
1 803 . 15 1 1 A 59 59 TYR N N 59 124.461 121.074 3.387 1
1 804 . 15 1 1 A 60 60 GLY H H 60 8.925 8.475 0.450 1
1 805 . 15 1 1 A 60 60 GLY HA2 H 60 3.947 3.989 -0.042 1
1 806 . 15 1 1 A 60 60 GLY HA3 H 60 4.175 3.995 0.180 1
1 807 . 15 1 1 A 60 60 GLY C C 60 173.294 174.687 -1.393 1
1 808 . 15 1 1 A 60 60 GLY CA C 60 46.424 45.753 0.671 1
1 809 . 15 1 1 A 60 60 GLY N N 60 107.578 106.221 1.357 1
1 810 . 15 1 1 A 61 61 LEU H H 61 7.448 7.642 -0.194 1
1 811 . 15 1 1 A 61 61 LEU HA H 61 4.238 4.443 -0.205 1
1 821 . 15 1 1 A 61 61 LEU C C 61 179.159 177.735 1.424 1
1 822 . 15 1 1 A 61 61 LEU CA C 61 57.274 55.534 1.740 1
1 823 . 15 1 1 A 61 61 LEU CB C 61 42.304 42.359 -0.055 1
1 827 . 15 1 1 A 61 61 LEU N N 61 118.202 119.878 -1.676 1
1 828 . 15 1 1 A 62 62 THR H H 62 6.974 7.345 -0.371 1
1 829 . 15 1 1 A 62 62 THR HA H 62 4.385 4.539 -0.154 1
1 834 . 15 1 1 A 62 62 THR C C 62 173.170 173.186 -0.016 1
1 835 . 15 1 1 A 62 62 THR CA C 62 59.813 60.620 -0.807 1
1 836 . 15 1 1 A 62 62 THR CB C 62 69.697 70.157 -0.460 1
1 838 . 15 1 1 A 62 62 THR N N 62 101.223 105.939 -4.716 1
1 839 . 15 1 1 A 63 63 HIS H H 63 7.041 7.487 -0.446 1
1 840 . 15 1 1 A 63 63 HIS HA H 63 4.861 4.969 -0.108 1
1 845 . 15 1 1 A 63 63 HIS C C 63 172.567 174.184 -1.617 1
1 846 . 15 1 1 A 63 63 HIS CA C 63 55.522 54.298 1.224 1
1 847 . 15 1 1 A 63 63 HIS CB C 63 32.328 33.725 -1.397 1
1 850 . 15 1 1 A 63 63 HIS N N 63 116.818 119.376 -2.558 1
1 853 . 15 1 1 A 64 64 SER H H 64 8.717 8.688 0.029 1
1 854 . 15 1 1 A 64 64 SER HA H 64 4.582 4.719 -0.137 1
1 857 . 15 1 1 A 64 64 SER C C 64 174.545 174.892 -0.347 1
1 858 . 15 1 1 A 64 64 SER CA C 64 57.169 57.036 0.133 1
1 859 . 15 1 1 A 64 64 SER CB C 64 65.484 64.799 0.685 1
1 860 . 15 1 1 A 64 64 SER N N 64 116.128 116.004 0.124 1
1 861 . 15 1 1 A 65 65 TYR H H 65 9.054 9.247 -0.193 1
1 862 . 15 1 1 A 65 65 TYR HA H 65 4.059 4.138 -0.079 1
1 869 . 15 1 1 A 65 65 TYR C C 65 176.918 177.759 -0.841 1
1 870 . 15 1 1 A 65 65 TYR CA C 65 61.906 62.583 -0.677 1
1 871 . 15 1 1 A 65 65 TYR CB C 65 38.185 38.744 -0.559 1
1 874 . 15 1 1 A 65 65 TYR N N 65 121.679 126.328 -4.649 1
1 875 . 15 1 1 A 66 66 GLU H H 66 8.965 8.238 0.727 1
1 876 . 15 1 1 A 66 66 GLU HA H 66 3.888 3.868 0.020 1
1 881 . 15 1 1 A 66 66 GLU C C 66 178.764 179.106 -0.342 1
1 882 . 15 1 1 A 66 66 GLU CA C 66 59.329 59.006 0.323 1
1 883 . 15 1 1 A 66 66 GLU CB C 66 28.874 29.343 -0.469 1
1 885 . 15 1 1 A 66 66 GLU N N 66 117.723 119.770 -2.047 1
1 886 . 15 1 1 A 67 67 THR H H 67 7.626 8.099 -0.473 1
1 887 . 15 1 1 A 67 67 THR HA H 67 3.864 4.059 -0.195 1
1 892 . 15 1 1 A 67 67 THR C C 67 176.681 176.347 0.334 1
1 893 . 15 1 1 A 67 67 THR CA C 67 66.368 67.219 -0.851 1
1 894 . 15 1 1 A 67 67 THR CB C 67 68.290 68.483 -0.193 1
1 896 . 15 1 1 A 67 67 THR N N 67 116.084 116.942 -0.858 1
1 897 . 15 1 1 A 68 68 ILE H H 68 8.324 7.986 0.338 1
1 898 . 15 1 1 A 68 68 ILE HA H 68 3.686 3.870 -0.184 1
1 908 . 15 1 1 A 68 68 ILE C C 68 176.527 177.627 -1.100 1
1 909 . 15 1 1 A 68 68 ILE CA C 68 65.205 62.756 2.449 1
1 910 . 15 1 1 A 68 68 ILE CB C 68 38.355 37.700 0.655 1
1 914 . 15 1 1 A 68 68 ILE N N 68 123.174 120.511 2.663 1
1 915 . 15 1 1 A 69 69 ARG H H 69 8.407 8.150 0.257 1
1 916 . 15 1 1 A 69 69 ARG HA H 69 3.673 3.720 -0.047 1
1 923 . 15 1 1 A 69 69 ARG C C 69 179.687 178.627 1.060 1
1 924 . 15 1 1 A 69 69 ARG CA C 69 59.577 59.946 -0.369 1
1 925 . 15 1 1 A 69 69 ARG CB C 69 29.560 29.930 -0.370 1
1 928 . 15 1 1 A 69 69 ARG N N 69 121.358 122.848 -1.490 1
1 929 . 15 1 1 A 70 70 LYS H H 70 7.562 7.629 -0.067 1
1 930 . 15 1 1 A 70 70 LYS HA H 70 3.617 3.696 -0.079 1
1 939 . 15 1 1 A 70 70 LYS C C 70 177.129 178.488 -1.359 1
1 940 . 15 1 1 A 70 70 LYS CA C 70 59.380 59.008 0.372 1
1 941 . 15 1 1 A 70 70 LYS CB C 70 31.978 31.761 0.217 1
1 945 . 15 1 1 A 70 70 LYS N N 70 120.218 119.003 1.215 1
1 946 . 15 1 1 A 71 71 LEU H H 71 7.640 8.155 -0.515 1
1 947 . 15 1 1 A 71 71 LEU HA H 71 3.629 3.832 -0.203 1
1 957 . 15 1 1 A 71 71 LEU C C 71 178.157 178.298 -0.141 1
1 958 . 15 1 1 A 71 71 LEU CA C 71 58.477 58.296 0.181 1
1 959 . 15 1 1 A 71 71 LEU CB C 71 41.262 41.502 -0.240 1
1 963 . 15 1 1 A 71 71 LEU N N 71 119.991 121.271 -1.280 1
1 964 . 15 1 1 A 72 72 ASN H H 72 8.474 8.243 0.231 1
1 965 . 15 1 1 A 72 72 ASN HA H 72 4.485 4.776 -0.291 1
1 970 . 15 1 1 A 72 72 ASN C C 72 176.285 177.646 -1.361 1
1 971 . 15 1 1 A 72 72 ASN CA C 72 56.424 56.858 -0.434 1
1 972 . 15 1 1 A 72 72 ASN CB C 72 39.544 39.458 0.086 1
1 973 . 15 1 1 A 72 72 ASN N N 72 114.097 117.502 -3.405 1
1 975 . 15 1 1 A 73 73 SER H H 73 7.878 8.238 -0.360 1
1 976 . 15 1 1 A 73 73 SER HA H 73 4.177 4.142 0.035 1
1 979 . 15 1 1 A 73 73 SER C C 73 176.734 176.553 0.181 1
1 980 . 15 1 1 A 73 73 SER CA C 73 61.741 62.328 -0.587 1
1 981 . 15 1 1 A 73 73 SER CB C 73 62.573 63.078 -0.505 1
1 982 . 15 1 1 A 73 73 SER N N 73 115.022 116.661 -1.639 1
1 983 . 15 1 1 A 74 74 TYR H H 74 8.078 7.793 0.285 1
1 984 . 15 1 1 A 74 74 TYR HA H 74 5.168 4.589 0.579 1
1 991 . 15 1 1 A 74 74 TYR C C 74 178.436 178.379 0.057 1
1 992 . 15 1 1 A 74 74 TYR CA C 74 58.023 61.486 -3.463 1
1 993 . 15 1 1 A 74 74 TYR CB C 74 37.835 38.298 -0.463 1
1 996 . 15 1 1 A 74 74 TYR N N 74 122.937 119.779 3.158 1
1 997 . 15 1 1 A 75 75 ILE H H 75 8.264 8.513 -0.249 1
1 998 . 15 1 1 A 75 75 ILE HA H 75 3.647 3.865 -0.218 1
1 1008 . 15 1 1 A 75 75 ILE C C 75 177.656 177.978 -0.322 1
1 1009 . 15 1 1 A 75 75 ILE CA C 75 66.349 64.432 1.917 1
1 1010 . 15 1 1 A 75 75 ILE CB C 75 37.494 37.490 0.004 1
1 1014 . 15 1 1 A 75 75 ILE N N 75 119.080 120.489 -1.409 1
1 1015 . 15 1 1 A 76 76 ARG H H 76 9.316 8.754 0.562 1
1 1016 . 15 1 1 A 76 76 ARG HA H 76 3.896 4.161 -0.265 1
1 1024 . 15 1 1 A 76 76 ARG C C 76 179.033 179.337 -0.304 1
1 1025 . 15 1 1 A 76 76 ARG CA C 76 60.536 59.795 0.741 1
1 1026 . 15 1 1 A 76 76 ARG CB C 76 30.238 29.780 0.458 1
1 1029 . 15 1 1 A 76 76 ARG N N 76 121.985 120.606 1.379 1
1 1031 . 15 1 1 A 77 77 ASN H H 77 8.003 8.339 -0.336 1
1 1032 . 15 1 1 A 77 77 ASN HA H 77 4.605 4.563 0.042 1
1 1037 . 15 1 1 A 77 77 ASN C C 77 177.146 177.100 0.046 1
1 1038 . 15 1 1 A 77 77 ASN CA C 77 55.755 56.727 -0.972 1
1 1039 . 15 1 1 A 77 77 ASN CB C 77 38.857 39.238 -0.381 1
1 1040 . 15 1 1 A 77 77 ASN N N 77 117.750 117.773 -0.023 1
1 1042 . 15 1 1 A 78 78 ALA H H 78 8.082 7.515 0.567 1
1 1043 . 15 1 1 A 78 78 ALA HA H 78 2.351 2.604 -0.253 1
1 1047 . 15 1 1 A 78 78 ALA C C 78 181.084 179.782 1.302 1
1 1048 . 15 1 1 A 78 78 ALA CA C 78 54.703 54.274 0.429 1
1 1049 . 15 1 1 A 78 78 ALA CB C 78 16.121 17.876 -1.755 1
1 1050 . 15 1 1 A 78 78 ALA N N 78 124.770 121.498 3.272 1
1 1051 . 15 1 1 A 79 79 PHE H H 79 8.603 7.847 0.756 1
1 1052 . 15 1 1 A 79 79 PHE HA H 79 3.974 4.346 -0.372 1
1 1060 . 15 1 1 A 79 79 PHE C C 79 177.841 178.047 -0.206 1
1 1061 . 15 1 1 A 79 79 PHE CA C 79 63.302 62.807 0.495 1
1 1062 . 15 1 1 A 79 79 PHE CB C 79 40.594 38.565 2.029 1
1 1066 . 15 1 1 A 79 79 PHE N N 79 116.847 115.757 1.090 1
1 1067 . 15 1 1 A 80 80 ASP H H 80 8.298 8.913 -0.615 1
1 1068 . 15 1 1 A 80 80 ASP HA H 80 4.620 4.333 0.287 1
1 1071 . 15 1 1 A 80 80 ASP C C 80 179.845 178.001 1.844 1
1 1072 . 15 1 1 A 80 80 ASP CA C 80 57.957 58.012 -0.055 1
1 1073 . 15 1 1 A 80 80 ASP CB C 80 39.595 42.042 -2.447 1
1 1074 . 15 1 1 A 80 80 ASP N N 80 121.362 119.590 1.772 1
1 1075 . 15 1 1 A 81 81 ASP H H 81 8.051 8.645 -0.594 1
1 1076 . 15 1 1 A 81 81 ASP HA H 81 4.724 4.543 0.181 1
1 1079 . 15 1 1 A 81 81 ASP C C 81 177.963 178.228 -0.265 1
1 1080 . 15 1 1 A 81 81 ASP CA C 81 57.537 57.883 -0.346 1
1 1081 . 15 1 1 A 81 81 ASP CB C 81 39.463 41.378 -1.915 1
1 1082 . 15 1 1 A 81 81 ASP N N 81 122.166 119.531 2.635 1
1 1083 . 15 1 1 A 82 82 ALA H H 82 8.025 7.971 0.054 1
1 1084 . 15 1 1 A 82 82 ALA HA H 82 4.106 4.263 -0.157 1
1 1088 . 15 1 1 A 82 82 ALA C C 82 180.223 180.027 0.196 1
1 1089 . 15 1 1 A 82 82 ALA CA C 82 55.194 55.349 -0.155 1
1 1090 . 15 1 1 A 82 82 ALA CB C 82 17.947 18.457 -0.510 1
1 1091 . 15 1 1 A 82 82 ALA N N 82 124.747 121.720 3.027 1
1 1092 . 15 1 1 A 83 83 ILE H H 83 8.327 8.589 -0.262 1
1 1093 . 15 1 1 A 83 83 ILE HA H 83 4.235 3.880 0.355 1
1 1103 . 15 1 1 A 83 83 ILE C C 83 180.768 178.177 2.591 1
1 1104 . 15 1 1 A 83 83 ILE CA C 83 63.966 65.156 -1.190 1
1 1105 . 15 1 1 A 83 83 ILE CB C 83 38.254 37.747 0.507 1
1 1109 . 15 1 1 A 83 83 ILE N N 83 120.907 118.644 2.263 1
1 1110 . 15 1 1 A 84 84 HIS H H 84 7.934 8.500 -0.566 1
1 1111 . 15 1 1 A 84 84 HIS HA H 84 4.434 4.149 0.285 1
1 1116 . 15 1 1 A 84 84 HIS C C 84 178.250 177.265 0.985 1
1 1117 . 15 1 1 A 84 84 HIS CA C 84 59.042 60.358 -1.316 1
1 1118 . 15 1 1 A 84 84 HIS CB C 84 28.750 29.828 -1.078 1
1 1121 . 15 1 1 A 84 84 HIS N N 84 121.346 120.420 0.926 1
1 1124 . 15 1 1 A 85 85 GLU H H 85 8.074 7.736 0.338 1
1 1125 . 15 1 1 A 85 85 GLU HA H 85 4.192 4.226 -0.034 1
1 1130 . 15 1 1 A 85 85 GLU C C 85 176.510 176.813 -0.303 1
1 1131 . 15 1 1 A 85 85 GLU CA C 85 56.512 56.521 -0.009 1
1 1132 . 15 1 1 A 85 85 GLU CB C 85 30.284 30.775 -0.491 1
1 1134 . 15 1 1 A 85 85 GLU N N 85 115.467 115.642 -0.175 1
1 1135 . 15 1 1 A 86 86 GLY H H 86 7.715 8.115 -0.400 1
1 1136 . 15 1 1 A 86 86 GLY HA2 H 86 3.844 4.097 -0.253 1
1 1137 . 15 1 1 A 86 86 GLY HA3 H 86 4.136 4.105 0.031 1
1 1138 . 15 1 1 A 86 86 GLY C C 86 175.243 174.761 0.482 1
1 1139 . 15 1 1 A 86 86 GLY CA C 86 45.108 45.104 0.004 1
1 1140 . 15 1 1 A 86 86 GLY N N 86 105.999 107.172 -1.173 1
1 1141 . 15 1 1 A 87 87 TYR H H 87 8.173 8.540 -0.367 1
1 1142 . 15 1 1 A 87 87 TYR HA H 87 4.396 4.264 0.132 1
1 1149 . 15 1 1 A 87 87 TYR CA C 87 59.317 60.823 -1.506 1
1 1150 . 15 1 1 A 87 87 TYR CB C 87 39.558 39.769 -0.211 1
1 1153 . 15 1 1 A 87 87 TYR N N 87 118.412 121.478 -3.066 1
1 1154 . 15 1 1 A 88 88 VAL HA H 88 4.583 4.475 0.108 1
1 1162 . 15 1 1 A 88 88 VAL CB C 88 36.112 35.107 1.005 1
1 1165 . 15 1 1 A 89 89 ILE HA H 89 4.426 4.010 0.416 1
1 1175 . 15 1 1 A 89 89 ILE CA C 89 61.984 63.139 -1.155 1
1 1176 . 15 1 1 A 89 89 ILE CB C 89 39.850 38.538 1.312 1
1 1180 . 15 1 1 A 90 90 LYS H H 90 7.387 7.562 -0.175 1
1 1181 . 15 1 1 A 90 90 LYS HA H 90 4.508 4.625 -0.117 1
1 1190 . 15 1 1 A 90 90 LYS C C 90 174.665 173.887 0.778 1
1 1191 . 15 1 1 A 90 90 LYS CA C 90 54.111 54.905 -0.794 1
1 1192 . 15 1 1 A 90 90 LYS CB C 90 35.086 34.246 0.840 1
1 1196 . 15 1 1 A 91 91 ASN H H 91 8.803 8.542 0.261 1
1 1197 . 15 1 1 A 91 91 ASN HA H 91 4.279 4.699 -0.420 1
1 1202 . 15 1 1 A 91 91 ASN CB C 91 38.879 40.567 -1.688 1
1 1203 . 15 1 1 A 91 91 ASN N N 91 120.903 116.895 4.008 1
1 1205 . 15 1 1 A 92 92 PRO HA H 92 4.206 4.336 -0.130 1
1 1212 . 15 1 1 A 92 92 PRO C C 92 174.751 176.743 -1.992 1
1 1213 . 15 1 1 A 92 92 PRO CA C 92 63.927 63.596 0.331 1
1 1214 . 15 1 1 A 92 92 PRO CB C 92 30.969 32.464 -1.495 1
1 1217 . 15 1 1 A 93 93 THR H H 93 7.441 7.653 -0.212 1
1 1218 . 15 1 1 A 93 93 THR HA H 93 4.093 4.260 -0.167 1
1 1224 . 15 1 1 A 93 93 THR C C 93 175.922 175.328 0.594 1
1 1225 . 15 1 1 A 93 93 THR CA C 93 62.221 61.776 0.445 1
1 1226 . 15 1 1 A 93 93 THR CB C 93 69.463 69.200 0.263 1
1 1228 . 15 1 1 A 93 93 THR N N 93 105.991 111.918 -5.927 1
1 1229 . 15 1 1 A 94 94 TYR H H 94 7.139 7.750 -0.611 1
1 1230 . 15 1 1 A 94 94 TYR HA H 94 4.393 4.185 0.208 1
1 1237 . 15 1 1 A 94 94 TYR C C 94 176.180 175.084 1.096 1
1 1238 . 15 1 1 A 94 94 TYR CA C 94 58.272 61.389 -3.117 1
1 1239 . 15 1 1 A 94 94 TYR CB C 94 37.490 39.049 -1.559 1
1 1242 . 15 1 1 A 94 94 TYR N N 94 124.098 121.433 2.665 1
1 1243 . 15 1 1 A 95 95 LYS H H 95 8.904 8.045 0.859 1
1 1244 . 15 1 1 A 95 95 LYS HA H 95 3.758 4.651 -0.893 1
1 1253 . 15 1 1 A 95 95 LYS C C 95 175.547 175.425 0.122 1
1 1254 . 15 1 1 A 95 95 LYS CA C 95 57.078 55.215 1.863 1
1 1255 . 15 1 1 A 95 95 LYS CB C 95 29.962 33.996 -4.034 1
1 1259 . 15 1 1 A 95 95 LYS N N 95 121.317 117.210 4.107 1
1 1260 . 15 1 1 A 96 96 ALA H H 96 7.583 8.782 -1.199 1
1 1261 . 15 1 1 A 96 96 ALA HA H 96 4.157 4.818 -0.661 1
1 1265 . 15 1 1 A 96 96 ALA C C 96 177.630 175.753 1.877 1
1 1266 . 15 1 1 A 96 96 ALA CA C 96 53.298 51.126 2.172 1
1 1267 . 15 1 1 A 96 96 ALA CB C 96 18.807 19.387 -0.580 1
1 1268 . 15 1 1 A 96 96 ALA N N 96 121.832 126.648 -4.816 1
1 1269 . 15 1 1 A 97 97 GLU H H 97 9.243 9.036 0.207 1
1 1270 . 15 1 1 A 97 97 GLU HA H 97 4.347 4.588 -0.241 1
1 1275 . 15 1 1 A 97 97 GLU C C 97 175.890 175.213 0.677 1
1 1276 . 15 1 1 A 97 97 GLU CA C 97 55.198 55.879 -0.681 1
1 1277 . 15 1 1 A 97 97 GLU CB C 97 30.931 30.206 0.725 1
1 1279 . 15 1 1 A 97 97 GLU N N 97 121.989 122.386 -0.397 1
1 1280 . 15 1 1 A 98 98 LEU H H 98 8.401 8.719 -0.318 1
1 1281 . 15 1 1 A 98 98 LEU HA H 98 4.277 4.562 -0.285 1
1 1291 . 15 1 1 A 98 98 LEU C C 98 175.738 175.740 -0.002 1
1 1292 . 15 1 1 A 98 98 LEU CA C 98 54.337 54.415 -0.078 1
1 1293 . 15 1 1 A 98 98 LEU CB C 98 41.634 40.490 1.144 1
1 1297 . 15 1 1 A 98 98 LEU N N 98 123.414 127.164 -3.750 1
1 1298 . 15 1 1 A 99 99 HIS H H 99 8.749 8.494 0.255 1
1 1299 . 15 1 1 A 99 99 HIS HA H 99 4.706 5.114 -0.408 1
1 1304 . 15 1 1 A 99 99 HIS C C 99 173.912 174.314 -0.402 1
1 1305 . 15 1 1 A 99 99 HIS CA C 99 55.183 54.266 0.917 1
1 1306 . 15 1 1 A 99 99 HIS CB C 99 29.916 31.534 -1.618 1
1 1309 . 15 1 1 A 99 99 HIS N N 99 121.129 123.194 -2.065 1
1 1312 . 15 1 1 A 100 100 ALA H H 100 8.369 8.918 -0.549 1
1 1313 . 15 1 1 A 100 100 ALA HA H 100 4.518 4.454 0.064 1
1 1317 . 15 1 1 A 100 100 ALA C C 100 177.533 176.287 1.246 1
1 1318 . 15 1 1 A 100 100 ALA CA C 100 51.753 51.375 0.378 1
1 1319 . 15 1 1 A 100 100 ALA CB C 100 20.081 19.489 0.592 1
1 1320 . 15 1 1 A 100 100 ALA N N 100 125.646 128.225 -2.579 1
1 1321 . 15 1 1 A 101 101 SER H H 101 8.357 8.725 -0.368 1
1 1322 . 15 1 1 A 101 101 SER HA H 101 4.452 4.524 -0.072 1
1 1325 . 15 1 1 A 101 101 SER C C 101 174.729 173.955 0.774 1
1 1326 . 15 1 1 A 101 101 SER CA C 101 58.781 57.490 1.291 1
1 1327 . 15 1 1 A 101 101 SER CB C 101 63.865 61.996 1.869 1
1 1328 . 15 1 1 A 101 101 SER N N 101 115.505 120.704 -5.199 1
1 1329 . 15 1 1 A 102 102 VAL H H 102 7.884 8.077 -0.193 1
1 1330 . 15 1 1 A 102 102 VAL HA H 102 4.111 4.267 -0.156 1
1 1338 . 15 1 1 A 102 102 VAL C C 102 175.837 175.017 0.820 1
1 1339 . 15 1 1 A 102 102 VAL CA C 102 62.237 63.241 -1.004 1
1 1340 . 15 1 1 A 102 102 VAL CB C 102 32.336 34.833 -2.497 1
1 1343 . 15 1 1 A 102 102 VAL N N 102 120.880 127.629 -6.749 1
1 1344 . 15 1 1 A 103 103 LEU H H 103 8.170 7.823 0.347 1
1 1345 . 15 1 1 A 103 103 LEU HA H 103 4.299 4.660 -0.361 1
1 1355 . 15 1 1 A 103 103 LEU C C 103 177.129 175.388 1.741 1
1 1356 . 15 1 1 A 103 103 LEU CA C 103 54.999 53.651 1.348 1
1 1357 . 15 1 1 A 103 103 LEU CB C 103 42.276 42.619 -0.343 1
1 1361 . 15 1 1 A 103 103 LEU N N 103 124.757 118.659 6.098 1
1 1362 . 15 1 1 A 104 104 GLU H H 104 8.244 8.946 -0.702 1
1 1363 . 15 1 1 A 104 104 GLU HA H 104 4.175 5.006 -0.831 1
1 1368 . 15 1 1 A 104 104 GLU C C 104 176.153 175.452 0.701 1
1 1369 . 15 1 1 A 104 104 GLU CA C 104 56.413 54.573 1.840 1
1 1370 . 15 1 1 A 104 104 GLU CB C 104 30.270 33.311 -3.041 1
1 1372 . 15 1 1 A 104 104 GLU N N 104 121.146 122.356 -1.210 1
1 1373 . 15 1 1 A 105 105 HIS H H 105 8.242 8.366 -0.124 1
1 1376 . 15 1 1 A 105 105 HIS C C 105 174.967 173.073 1.894 1
1 1377 . 15 1 1 A 105 105 HIS CA C 105 56.137 53.528 2.609 1
1 1378 . 15 1 1 A 105 105 HIS CB C 105 30.290 32.565 -2.275 1
1 13 . 16 1 1 A 2 2 ILE HA H 2 4.615 4.835 -0.220 1
1 23 . 16 1 1 A 2 2 ILE C C 2 175.630 175.713 -0.083 1
1 24 . 16 1 1 A 2 2 ILE CA C 2 60.619 59.888 0.731 1
1 25 . 16 1 1 A 2 2 ILE CB C 2 40.542 40.464 0.078 1
1 29 . 16 1 1 A 3 3 THR H H 3 9.133 8.546 0.587 1
1 30 . 16 1 1 A 3 3 THR HA H 3 4.656 4.636 0.020 1
1 36 . 16 1 1 A 3 3 THR C C 3 174.729 175.710 -0.981 1
1 37 . 16 1 1 A 3 3 THR CA C 3 61.509 61.533 -0.024 1
1 38 . 16 1 1 A 3 3 THR CB C 3 69.896 70.437 -0.541 1
1 40 . 16 1 1 A 3 3 THR N N 3 119.091 117.906 1.185 1
1 41 . 16 1 1 A 4 4 PHE H H 4 8.642 9.659 -1.017 1
1 42 . 16 1 1 A 4 4 PHE HA H 4 4.576 4.133 0.443 1
1 50 . 16 1 1 A 4 4 PHE C C 4 176.302 177.442 -1.140 1
1 51 . 16 1 1 A 4 4 PHE CA C 4 58.368 62.682 -4.314 1
1 52 . 16 1 1 A 4 4 PHE CB C 4 37.526 39.531 -2.005 1
1 56 . 16 1 1 A 4 4 PHE N N 4 122.510 122.974 -0.464 1
1 57 . 16 1 1 A 5 5 ALA H H 5 9.195 8.327 0.868 1
1 58 . 16 1 1 A 5 5 ALA HA H 5 3.692 4.046 -0.354 1
1 62 . 16 1 1 A 5 5 ALA C C 5 178.210 180.380 -2.170 1
1 63 . 16 1 1 A 5 5 ALA CA C 5 56.073 55.344 0.729 1
1 64 . 16 1 1 A 5 5 ALA CB C 5 17.897 18.347 -0.450 1
1 65 . 16 1 1 A 5 5 ALA N N 5 120.106 121.597 -1.491 1
1 66 . 16 1 1 A 6 6 ASP H H 6 7.978 8.408 -0.430 1
1 67 . 16 1 1 A 6 6 ASP HA H 6 4.615 4.503 0.112 1
1 70 . 16 1 1 A 6 6 ASP C C 6 179.370 178.692 0.678 1
1 71 . 16 1 1 A 6 6 ASP CA C 6 57.369 57.659 -0.290 1
1 72 . 16 1 1 A 6 6 ASP CB C 6 39.556 40.610 -1.054 1
1 73 . 16 1 1 A 6 6 ASP N N 6 115.486 118.773 -3.287 1
1 74 . 16 1 1 A 7 7 TYR H H 7 8.776 8.475 0.301 1
1 75 . 16 1 1 A 7 7 TYR HA H 7 3.984 4.415 -0.431 1
1 82 . 16 1 1 A 7 7 TYR C C 7 176.232 177.459 -1.227 1
1 83 . 16 1 1 A 7 7 TYR CA C 7 62.241 61.539 0.702 1
1 84 . 16 1 1 A 7 7 TYR CB C 7 38.521 38.334 0.187 1
1 87 . 16 1 1 A 7 7 TYR N N 7 120.885 122.348 -1.463 1
1 88 . 16 1 1 A 8 8 PHE H H 8 9.024 8.526 0.498 1
1 89 . 16 1 1 A 8 8 PHE HA H 8 3.732 4.195 -0.463 1
1 97 . 16 1 1 A 8 8 PHE C C 8 176.261 176.998 -0.737 1
1 98 . 16 1 1 A 8 8 PHE CA C 8 62.936 62.008 0.928 1
1 99 . 16 1 1 A 8 8 PHE CB C 8 39.553 38.819 0.734 1
1 103 . 16 1 1 A 8 8 PHE N N 8 118.754 120.676 -1.922 1
1 104 . 16 1 1 A 9 9 TYR H H 9 8.202 8.144 0.058 1
1 105 . 16 1 1 A 9 9 TYR HA H 9 3.742 3.961 -0.219 1
1 112 . 16 1 1 A 9 9 TYR C C 9 176.496 177.087 -0.591 1
1 113 . 16 1 1 A 9 9 TYR CA C 9 62.939 61.250 1.689 1
1 114 . 16 1 1 A 9 9 TYR CB C 9 37.941 38.287 -0.346 1
1 117 . 16 1 1 A 9 9 TYR N N 9 117.271 120.398 -3.127 1
1 118 . 16 1 1 A 10 10 GLN H H 10 8.029 8.476 -0.447 1
1 119 . 16 1 1 A 10 10 GLN HA H 10 3.928 3.875 0.053 1
1 126 . 16 1 1 A 10 10 GLN C C 10 177.393 177.711 -0.318 1
1 127 . 16 1 1 A 10 10 GLN CA C 10 58.717 58.429 0.288 1
1 128 . 16 1 1 A 10 10 GLN CB C 10 28.482 28.502 -0.020 1
1 130 . 16 1 1 A 10 10 GLN N N 10 117.935 118.094 -0.159 1
1 132 . 16 1 1 A 11 11 TRP H H 11 8.772 8.373 0.399 1
1 133 . 16 1 1 A 11 11 TRP HA H 11 3.690 4.114 -0.424 1
1 142 . 16 1 1 A 11 11 TRP C C 11 178.487 177.600 0.887 1
1 143 . 16 1 1 A 11 11 TRP CA C 11 61.256 60.536 0.720 1
1 144 . 16 1 1 A 11 11 TRP CB C 11 27.472 29.117 -1.645 1
1 150 . 16 1 1 A 11 11 TRP N N 11 121.577 121.617 -0.040 1
1 152 . 16 1 1 A 12 12 TYR H H 12 8.168 7.950 0.218 1
1 153 . 16 1 1 A 12 12 TYR HA H 12 2.938 3.093 -0.155 1
1 160 . 16 1 1 A 12 12 TYR C C 12 177.277 177.291 -0.014 1
1 161 . 16 1 1 A 12 12 TYR CA C 12 59.178 60.769 -1.591 1
1 162 . 16 1 1 A 12 12 TYR CB C 12 36.729 37.921 -1.192 1
1 165 . 16 1 1 A 12 12 TYR N N 12 121.811 121.113 0.698 1
1 166 . 16 1 1 A 13 13 GLU H H 13 8.434 7.921 0.513 1
1 167 . 16 1 1 A 13 13 GLU HA H 13 2.996 3.194 -0.198 1
1 172 . 16 1 1 A 13 13 GLU C C 13 177.157 177.906 -0.749 1
1 173 . 16 1 1 A 13 13 GLU CA C 13 59.164 58.339 0.825 1
1 174 . 16 1 1 A 13 13 GLU CB C 13 29.447 29.218 0.229 1
1 176 . 16 1 1 A 13 13 GLU N N 13 123.599 119.168 4.431 1
1 177 . 16 1 1 A 14 14 VAL H H 14 7.605 7.219 0.386 1
1 178 . 16 1 1 A 14 14 VAL HA H 14 3.562 3.611 -0.049 1
1 186 . 16 1 1 A 14 14 VAL C C 14 177.289 176.984 0.305 1
1 187 . 16 1 1 A 14 14 VAL CA C 14 64.338 65.455 -1.117 1
1 188 . 16 1 1 A 14 14 VAL CB C 14 32.669 31.221 1.448 1
1 191 . 16 1 1 A 14 14 VAL N N 14 113.566 119.467 -5.901 1
1 192 . 16 1 1 A 15 15 ASN H H 15 7.482 7.276 0.206 1
1 193 . 16 1 1 A 15 15 ASN HA H 15 4.429 4.637 -0.208 1
1 198 . 16 1 1 A 15 15 ASN C C 15 175.201 176.511 -1.310 1
1 199 . 16 1 1 A 15 15 ASN CA C 15 55.218 54.065 1.153 1
1 200 . 16 1 1 A 15 15 ASN CB C 15 39.927 39.740 0.187 1
1 201 . 16 1 1 A 15 15 ASN N N 15 112.195 115.562 -3.367 1
1 203 . 16 1 1 A 16 16 LYS H H 16 7.413 7.768 -0.355 1
1 204 . 16 1 1 A 16 16 LYS HA H 16 4.338 4.305 0.033 1
1 213 . 16 1 1 A 16 16 LYS C C 16 175.309 177.283 -1.974 1
1 214 . 16 1 1 A 16 16 LYS CA C 16 54.807 55.782 -0.975 1
1 215 . 16 1 1 A 16 16 LYS CB C 16 32.665 33.239 -0.574 1
1 219 . 16 1 1 A 16 16 LYS N N 16 115.814 115.639 0.175 1
1 220 . 16 1 1 A 17 17 LEU H H 17 7.490 7.199 0.291 1
1 221 . 16 1 1 A 17 17 LEU HA H 17 3.603 3.288 0.315 1
1 231 . 16 1 1 A 17 17 LEU C C 17 173.754 176.381 -2.627 1
1 232 . 16 1 1 A 17 17 LEU CA C 17 59.847 59.442 0.405 1
1 233 . 16 1 1 A 17 17 LEU CB C 17 39.552 39.629 -0.077 1
1 237 . 16 1 1 A 17 17 LEU N N 17 121.586 121.465 0.121 1
1 238 . 16 1 1 A 18 18 PRO HA H 18 4.107 4.234 -0.127 1
1 245 . 16 1 1 A 18 18 PRO C C 18 176.412 175.975 0.437 1
1 246 . 16 1 1 A 18 18 PRO CA C 18 64.656 63.639 1.017 1
1 247 . 16 1 1 A 18 18 PRO CB C 18 30.980 32.117 -1.137 1
1 250 . 16 1 1 A 19 19 HIS H H 19 7.631 7.721 -0.090 1
1 251 . 16 1 1 A 19 19 HIS HA H 19 4.857 4.728 0.129 1
1 256 . 16 1 1 A 19 19 HIS C C 19 175.822 175.175 0.647 1
1 257 . 16 1 1 A 19 19 HIS CA C 19 55.004 55.396 -0.392 1
1 258 . 16 1 1 A 19 19 HIS CB C 19 32.358 31.418 0.940 1
1 260 . 16 1 1 A 19 19 HIS N N 19 111.190 116.889 -5.699 1
1 263 . 16 1 1 A 20 20 VAL H H 20 7.124 6.849 0.275 1
1 264 . 16 1 1 A 20 20 VAL HA H 20 4.728 4.855 -0.127 1
1 272 . 16 1 1 A 20 20 VAL C C 20 175.497 175.442 0.055 1
1 273 . 16 1 1 A 20 20 VAL CA C 20 60.134 58.948 1.186 1
1 274 . 16 1 1 A 20 20 VAL CB C 20 34.199 35.336 -1.137 1
1 277 . 16 1 1 A 20 20 VAL N N 20 112.191 114.541 -2.350 1
1 278 . 16 1 1 A 21 21 SER H H 21 8.589 8.688 -0.099 1
1 279 . 16 1 1 A 21 21 SER HA H 21 4.531 4.832 -0.301 1
1 282 . 16 1 1 A 21 21 SER C C 21 174.840 175.476 -0.636 1
1 283 . 16 1 1 A 21 21 SER CA C 21 57.236 56.677 0.559 1
1 284 . 16 1 1 A 21 21 SER CB C 21 65.251 66.225 -0.974 1
1 285 . 16 1 1 A 21 21 SER N N 21 116.825 116.179 0.646 1
1 286 . 16 1 1 A 22 22 GLU H H 22 8.964 9.020 -0.056 1
1 287 . 16 1 1 A 22 22 GLU HA H 22 3.922 4.045 -0.123 1
1 292 . 16 1 1 A 22 22 GLU C C 22 178.606 178.392 0.214 1
1 293 . 16 1 1 A 22 22 GLU CA C 22 59.837 59.504 0.333 1
1 294 . 16 1 1 A 22 22 GLU CB C 22 29.239 29.213 0.026 1
1 296 . 16 1 1 A 22 22 GLU N N 22 120.863 122.404 -1.541 1
1 297 . 16 1 1 A 23 23 SER H H 23 8.426 8.385 0.041 1
1 298 . 16 1 1 A 23 23 SER HA H 23 4.151 4.233 -0.082 1
1 301 . 16 1 1 A 23 23 SER C C 23 176.977 177.479 -0.502 1
1 302 . 16 1 1 A 23 23 SER CA C 23 61.220 61.360 -0.140 1
1 303 . 16 1 1 A 23 23 SER CB C 23 62.252 62.193 0.059 1
1 304 . 16 1 1 A 23 23 SER N N 23 112.196 115.908 -3.712 1
1 305 . 16 1 1 A 24 24 THR H H 24 7.749 8.259 -0.510 1
1 306 . 16 1 1 A 24 24 THR HA H 24 4.163 4.381 -0.218 1
1 311 . 16 1 1 A 24 24 THR C C 24 176.523 177.237 -0.714 1
1 312 . 16 1 1 A 24 24 THR CA C 24 66.045 66.722 -0.677 1
1 313 . 16 1 1 A 24 24 THR CB C 24 68.305 68.421 -0.116 1
1 315 . 16 1 1 A 24 24 THR N N 24 120.348 117.586 2.762 1
1 316 . 16 1 1 A 25 25 LYS H H 25 8.605 8.347 0.258 1
1 317 . 16 1 1 A 25 25 LYS HA H 25 4.064 4.089 -0.025 1
1 326 . 16 1 1 A 25 25 LYS C C 25 178.447 179.590 -1.143 1
1 327 . 16 1 1 A 25 25 LYS CA C 25 61.087 60.326 0.761 1
1 328 . 16 1 1 A 25 25 LYS CB C 25 32.717 32.468 0.249 1
1 332 . 16 1 1 A 25 25 LYS N N 25 123.593 120.514 3.079 1
1 333 . 16 1 1 A 26 26 ARG H H 26 7.485 7.940 -0.455 1
1 334 . 16 1 1 A 26 26 ARG HA H 26 4.146 4.183 -0.037 1
1 341 . 16 1 1 A 26 26 ARG C C 26 179.845 179.174 0.671 1
1 342 . 16 1 1 A 26 26 ARG CA C 26 58.916 58.812 0.104 1
1 343 . 16 1 1 A 26 26 ARG CB C 26 30.384 29.757 0.627 1
1 346 . 16 1 1 A 26 26 ARG N N 26 114.116 118.994 -4.878 1
1 347 . 16 1 1 A 27 27 HIS H H 27 7.677 8.105 -0.428 1
1 348 . 16 1 1 A 27 27 HIS HA H 27 4.757 4.369 0.388 1
1 353 . 16 1 1 A 27 27 HIS C C 27 179.743 177.585 2.158 1
1 354 . 16 1 1 A 27 27 HIS CA C 27 58.659 59.043 -0.384 1
1 355 . 16 1 1 A 27 27 HIS CB C 27 30.967 30.274 0.693 1
1 358 . 16 1 1 A 27 27 HIS N N 27 119.389 118.318 1.071 1
1 361 . 16 1 1 A 28 28 TYR H H 28 8.119 8.051 0.068 1
1 362 . 16 1 1 A 28 28 TYR HA H 28 4.009 4.113 -0.104 1
1 369 . 16 1 1 A 28 28 TYR C C 28 178.685 178.501 0.184 1
1 370 . 16 1 1 A 28 28 TYR CA C 28 63.311 62.023 1.288 1
1 371 . 16 1 1 A 28 28 TYR CB C 28 38.879 37.490 1.389 1
1 374 . 16 1 1 A 28 28 TYR N N 28 121.786 116.818 4.968 1
1 375 . 16 1 1 A 29 29 GLU H H 29 8.631 8.602 0.029 1
1 376 . 16 1 1 A 29 29 GLU HA H 29 4.067 4.205 -0.138 1
1 381 . 16 1 1 A 29 29 GLU C C 29 179.950 179.187 0.763 1
1 382 . 16 1 1 A 29 29 GLU CA C 29 59.827 59.998 -0.171 1
1 383 . 16 1 1 A 29 29 GLU CB C 29 29.172 29.541 -0.369 1
1 385 . 16 1 1 A 29 29 GLU N N 29 119.090 120.515 -1.425 1
1 386 . 16 1 1 A 30 30 SER H H 30 8.307 8.640 -0.333 1
1 387 . 16 1 1 A 30 30 SER HA H 30 4.467 4.238 0.229 1
1 390 . 16 1 1 A 30 30 SER C C 30 177.445 176.458 0.987 1
1 391 . 16 1 1 A 30 30 SER CA C 30 61.068 62.032 -0.964 1
1 392 . 16 1 1 A 30 30 SER CB C 30 63.054 63.089 -0.035 1
1 393 . 16 1 1 A 30 30 SER N N 30 115.027 116.596 -1.569 1
1 394 . 16 1 1 A 31 31 ALA H H 31 8.319 7.979 0.340 1
1 395 . 16 1 1 A 31 31 ALA HA H 31 4.070 4.309 -0.239 1
1 399 . 16 1 1 A 31 31 ALA C C 31 178.488 179.208 -0.720 1
1 400 . 16 1 1 A 31 31 ALA CA C 31 55.926 55.051 0.875 1
1 401 . 16 1 1 A 31 31 ALA CB C 31 18.510 18.597 -0.087 1
1 402 . 16 1 1 A 31 31 ALA N N 31 124.966 123.740 1.226 1
1 403 . 16 1 1 A 32 32 TYR H H 32 8.537 9.046 -0.509 1
1 404 . 16 1 1 A 32 32 TYR HA H 32 4.114 4.204 -0.090 1
1 411 . 16 1 1 A 32 32 TYR C C 32 175.705 178.135 -2.430 1
1 412 . 16 1 1 A 32 32 TYR CA C 32 60.480 62.217 -1.737 1
1 413 . 16 1 1 A 32 32 TYR CB C 32 37.864 39.255 -1.391 1
1 416 . 16 1 1 A 32 32 TYR N N 32 116.814 120.240 -3.426 1
1 417 . 16 1 1 A 33 33 LYS H H 33 7.988 8.385 -0.397 1
1 418 . 16 1 1 A 33 33 LYS HA H 33 3.513 3.859 -0.346 1
1 427 . 16 1 1 A 33 33 LYS C C 33 178.474 178.506 -0.032 1
1 428 . 16 1 1 A 33 33 LYS CA C 33 59.810 58.901 0.909 1
1 429 . 16 1 1 A 33 33 LYS CB C 33 32.000 31.971 0.029 1
1 433 . 16 1 1 A 33 33 LYS N N 33 119.358 118.393 0.965 1
1 434 . 16 1 1 A 34 34 HIS H H 34 8.187 7.547 0.640 1
1 435 . 16 1 1 A 34 34 HIS HA H 34 4.449 4.569 -0.120 1
1 440 . 16 1 1 A 34 34 HIS C C 34 178.948 178.043 0.905 1
1 441 . 16 1 1 A 34 34 HIS CA C 34 60.883 60.492 0.391 1
1 442 . 16 1 1 A 34 34 HIS CB C 34 28.843 31.347 -2.504 1
1 445 . 16 1 1 A 34 34 HIS N N 34 116.156 118.398 -2.242 1
1 448 . 16 1 1 A 35 35 ILE H H 35 8.676 8.496 0.180 1
1 449 . 16 1 1 A 35 35 ILE HA H 35 3.513 3.601 -0.088 1
1 459 . 16 1 1 A 35 35 ILE C C 35 177.630 178.249 -0.619 1
1 460 . 16 1 1 A 35 35 ILE CA C 35 65.690 65.157 0.533 1
1 461 . 16 1 1 A 35 35 ILE CB C 35 38.481 37.582 0.899 1
1 465 . 16 1 1 A 35 35 ILE N N 35 121.824 120.604 1.220 1
1 466 . 16 1 1 A 36 36 LYS H H 36 8.797 8.505 0.292 1
1 467 . 16 1 1 A 36 36 LYS HA H 36 3.712 3.991 -0.279 1
1 476 . 16 1 1 A 36 36 LYS C C 36 179.397 177.747 1.650 1
1 477 . 16 1 1 A 36 36 LYS CA C 36 59.860 58.930 0.930 1
1 478 . 16 1 1 A 36 36 LYS CB C 36 31.878 31.782 0.096 1
1 482 . 16 1 1 A 36 36 LYS N N 36 121.589 120.613 0.976 1
1 483 . 16 1 1 A 37 37 ASP H H 37 8.246 7.846 0.400 1
1 484 . 16 1 1 A 37 37 ASP HA H 37 4.336 4.307 0.029 1
1 487 . 16 1 1 A 37 37 ASP C C 37 177.234 177.994 -0.760 1
1 488 . 16 1 1 A 37 37 ASP CA C 37 56.932 57.117 -0.185 1
1 489 . 16 1 1 A 37 37 ASP CB C 37 40.576 41.222 -0.646 1
1 490 . 16 1 1 A 37 37 ASP N N 37 118.225 119.619 -1.394 1
1 491 . 16 1 1 A 38 38 HIS H H 38 7.867 7.486 0.381 1
1 492 . 16 1 1 A 38 38 HIS HA H 38 4.284 4.334 -0.050 1
1 496 . 16 1 1 A 38 38 HIS C C 38 176.839 174.810 2.029 1
1 497 . 16 1 1 A 38 38 HIS CA C 38 59.389 59.026 0.363 1
1 498 . 16 1 1 A 38 38 HIS CB C 38 31.630 31.087 0.543 1
1 500 . 16 1 1 A 38 38 HIS N N 38 115.487 115.445 0.042 1
1 501 . 16 1 1 A 39 39 PHE H H 39 9.082 8.739 0.343 1
1 502 . 16 1 1 A 39 39 PHE HA H 39 4.369 4.876 -0.507 1
1 510 . 16 1 1 A 39 39 PHE C C 39 175.890 175.450 0.440 1
1 511 . 16 1 1 A 39 39 PHE CA C 39 60.159 56.328 3.831 1
1 512 . 16 1 1 A 39 39 PHE CB C 39 38.850 39.021 -0.171 1
1 516 . 16 1 1 A 39 39 PHE N N 39 114.327 115.727 -1.400 1
1 517 . 16 1 1 A 40 40 ARG H H 40 8.104 8.853 -0.749 1
1 518 . 16 1 1 A 40 40 ARG HA H 40 3.921 4.415 -0.494 1
1 525 . 16 1 1 A 40 40 ARG C C 40 176.892 177.094 -0.202 1
1 526 . 16 1 1 A 40 40 ARG CA C 40 58.009 57.490 0.519 1
1 527 . 16 1 1 A 40 40 ARG CB C 40 27.531 31.142 -3.611 1
1 530 . 16 1 1 A 40 40 ARG N N 40 118.379 125.079 -6.700 1
1 531 . 16 1 1 A 41 41 HIS H H 41 8.589 8.153 0.436 1
1 532 . 16 1 1 A 41 41 HIS HA H 41 4.910 4.911 -0.001 1
1 536 . 16 1 1 A 41 41 HIS C C 41 174.835 174.914 -0.079 1
1 537 . 16 1 1 A 41 41 HIS CA C 41 55.473 55.655 -0.182 1
1 538 . 16 1 1 A 41 41 HIS CB C 41 29.720 30.377 -0.657 1
1 540 . 16 1 1 A 41 41 HIS N N 41 123.828 113.000 10.828 1
1 541 . 16 1 1 A 42 42 LYS H H 42 8.326 7.663 0.663 1
1 542 . 16 1 1 A 42 42 LYS HA H 42 4.181 4.497 -0.316 1
1 551 . 16 1 1 A 42 42 LYS C C 42 177.973 176.678 1.295 1
1 552 . 16 1 1 A 42 42 LYS CA C 42 58.201 56.108 2.093 1
1 553 . 16 1 1 A 42 42 LYS CB C 42 33.047 33.803 -0.756 1
1 557 . 16 1 1 A 42 42 LYS N N 42 121.129 120.534 0.595 1
1 558 . 16 1 1 A 43 43 LEU H H 43 9.243 8.574 0.669 1
1 559 . 16 1 1 A 43 43 LEU HA H 43 4.346 4.411 -0.065 1
1 569 . 16 1 1 A 43 43 LEU C C 43 177.840 177.975 -0.135 1
1 570 . 16 1 1 A 43 43 LEU CA C 43 55.420 54.880 0.540 1
1 571 . 16 1 1 A 43 43 LEU CB C 43 40.936 42.487 -1.551 1
1 575 . 16 1 1 A 43 43 LEU N N 43 124.529 126.739 -2.210 1
1 576 . 16 1 1 A 44 44 LEU H H 44 8.404 8.846 -0.442 1
1 577 . 16 1 1 A 44 44 LEU HA H 44 3.681 4.111 -0.430 1
1 587 . 16 1 1 A 44 44 LEU C C 44 177.962 177.991 -0.029 1
1 588 . 16 1 1 A 44 44 LEU CA C 44 58.773 58.678 0.095 1
1 589 . 16 1 1 A 44 44 LEU CB C 44 42.661 41.375 1.286 1
1 593 . 16 1 1 A 44 44 LEU N N 44 123.643 126.260 -2.617 1
1 594 . 16 1 1 A 45 45 LYS HA H 45 4.126 4.079 0.047 1
1 603 . 16 1 1 A 45 45 LYS C C 45 175.533 177.774 -2.241 1
1 604 . 16 1 1 A 45 45 LYS CA C 45 57.405 58.114 -0.709 1
1 605 . 16 1 1 A 45 45 LYS CB C 45 31.650 32.278 -0.628 1
1 609 . 16 1 1 A 46 46 ASP H H 46 7.520 7.821 -0.301 1
1 610 . 16 1 1 A 46 46 ASP HA H 46 4.888 4.633 0.255 1
1 613 . 16 1 1 A 46 46 ASP C C 46 175.811 176.441 -0.630 1
1 614 . 16 1 1 A 46 46 ASP CA C 46 54.268 55.063 -0.795 1
1 615 . 16 1 1 A 46 46 ASP CB C 46 42.178 41.536 0.642 1
1 616 . 16 1 1 A 46 46 ASP N N 46 118.587 119.323 -0.736 1
1 617 . 16 1 1 A 47 47 ILE H H 47 6.965 6.796 0.169 1
1 618 . 16 1 1 A 47 47 ILE HA H 47 4.048 3.740 0.308 1
1 628 . 16 1 1 A 47 47 ILE C C 47 175.362 175.322 0.040 1
1 629 . 16 1 1 A 47 47 ILE CA C 47 59.826 61.524 -1.698 1
1 630 . 16 1 1 A 47 47 ILE CB C 47 34.389 37.554 -3.165 1
1 634 . 16 1 1 A 47 47 ILE N N 47 119.126 121.949 -2.823 1
1 635 . 16 1 1 A 48 48 LYS H H 48 8.489 8.690 -0.201 1
1 636 . 16 1 1 A 48 48 LYS HA H 48 4.635 4.194 0.441 1
1 645 . 16 1 1 A 48 48 LYS C C 48 177.252 178.108 -0.856 1
1 646 . 16 1 1 A 48 48 LYS CA C 48 54.357 56.365 -2.008 1
1 647 . 16 1 1 A 48 48 LYS CB C 48 34.753 32.639 2.114 1
1 651 . 16 1 1 A 48 48 LYS N N 48 127.892 128.162 -0.270 1
1 652 . 16 1 1 A 49 49 ARG H H 49 8.816 8.597 0.219 1
1 653 . 16 1 1 A 49 49 ARG HA H 49 4.314 4.073 0.241 1
1 660 . 16 1 1 A 49 49 ARG C C 49 178.464 177.957 0.507 1
1 661 . 16 1 1 A 49 49 ARG CA C 49 60.341 58.586 1.755 1
1 662 . 16 1 1 A 49 49 ARG CB C 49 30.197 29.933 0.264 1
1 665 . 16 1 1 A 49 49 ARG N N 49 122.736 123.571 -0.835 1
1 666 . 16 1 1 A 50 50 THR H H 50 8.269 8.082 0.187 1
1 667 . 16 1 1 A 50 50 THR HA H 50 4.079 4.033 0.046 1
1 672 . 16 1 1 A 50 50 THR C C 50 177.316 177.386 -0.070 1
1 673 . 16 1 1 A 50 50 THR CA C 50 65.501 65.698 -0.197 1
1 674 . 16 1 1 A 50 50 THR CB C 50 67.951 68.403 -0.452 1
1 676 . 16 1 1 A 50 50 THR N N 50 110.696 111.865 -1.169 1
1 677 . 16 1 1 A 51 51 GLU H H 51 7.260 8.049 -0.789 1
1 678 . 16 1 1 A 51 51 GLU HA H 51 4.239 4.230 0.009 1
1 683 . 16 1 1 A 51 51 GLU C C 51 179.621 178.676 0.945 1
1 684 . 16 1 1 A 51 51 GLU CA C 51 58.921 59.310 -0.389 1
1 685 . 16 1 1 A 51 51 GLU CB C 51 29.916 29.573 0.343 1
1 687 . 16 1 1 A 51 51 GLU N N 51 121.344 121.940 -0.596 1
1 688 . 16 1 1 A 52 52 TYR H H 52 8.678 8.684 -0.006 1
1 689 . 16 1 1 A 52 52 TYR HA H 52 4.376 4.318 0.058 1
1 697 . 16 1 1 A 52 52 TYR C C 52 176.120 177.888 -1.768 1
1 698 . 16 1 1 A 52 52 TYR CA C 52 62.660 61.760 0.900 1
1 699 . 16 1 1 A 52 52 TYR CB C 52 38.206 38.558 -0.352 1
1 702 . 16 1 1 A 52 52 TYR N N 52 122.483 122.290 0.193 1
1 703 . 16 1 1 A 53 53 GLN H H 53 8.801 8.197 0.604 1
1 704 . 16 1 1 A 53 53 GLN HA H 53 3.721 3.778 -0.057 1
1 711 . 16 1 1 A 53 53 GLN C C 53 177.894 177.972 -0.078 1
1 712 . 16 1 1 A 53 53 GLN CA C 53 58.111 58.594 -0.483 1
1 713 . 16 1 1 A 53 53 GLN CB C 53 28.909 28.528 0.381 1
1 715 . 16 1 1 A 53 53 GLN N N 53 118.817 118.086 0.731 1
1 717 . 16 1 1 A 54 54 LYS H H 54 7.685 7.536 0.149 1
1 718 . 16 1 1 A 54 54 LYS HA H 54 4.051 4.059 -0.008 1
1 727 . 16 1 1 A 54 54 LYS C C 54 178.918 178.881 0.037 1
1 728 . 16 1 1 A 54 54 LYS CA C 54 59.845 59.282 0.563 1
1 729 . 16 1 1 A 54 54 LYS CB C 54 32.339 32.099 0.240 1
1 733 . 16 1 1 A 54 54 LYS N N 54 118.629 119.097 -0.468 1
1 734 . 16 1 1 A 55 55 PHE H H 55 7.533 8.025 -0.492 1
1 735 . 16 1 1 A 55 55 PHE HA H 55 3.660 3.757 -0.097 1
1 743 . 16 1 1 A 55 55 PHE C C 55 176.180 176.804 -0.624 1
1 744 . 16 1 1 A 55 55 PHE CA C 55 59.494 61.182 -1.688 1
1 745 . 16 1 1 A 55 55 PHE CB C 55 38.189 39.087 -0.898 1
1 749 . 16 1 1 A 55 55 PHE N N 55 120.449 120.720 -0.271 1
1 750 . 16 1 1 A 56 56 LEU H H 56 8.019 8.191 -0.172 1
1 751 . 16 1 1 A 56 56 LEU HA H 56 3.254 3.600 -0.346 1
1 761 . 16 1 1 A 56 56 LEU C C 56 179.581 179.074 0.507 1
1 762 . 16 1 1 A 56 56 LEU CA C 56 57.366 57.514 -0.148 1
1 763 . 16 1 1 A 56 56 LEU CB C 56 41.462 41.014 0.448 1
1 767 . 16 1 1 A 56 56 LEU N N 56 120.223 119.771 0.452 1
1 768 . 16 1 1 A 57 57 ASN H H 57 8.427 8.849 -0.422 1
1 769 . 16 1 1 A 57 57 ASN HA H 57 4.324 4.443 -0.119 1
1 774 . 16 1 1 A 57 57 ASN C C 57 178.105 177.669 0.436 1
1 775 . 16 1 1 A 57 57 ASN CA C 57 55.194 56.576 -1.382 1
1 776 . 16 1 1 A 57 57 ASN CB C 57 36.948 37.856 -0.908 1
1 777 . 16 1 1 A 57 57 ASN N N 57 118.422 118.063 0.359 1
1 779 . 16 1 1 A 58 58 GLU H H 58 7.873 8.105 -0.232 1
1 780 . 16 1 1 A 58 58 GLU HA H 58 4.063 4.067 -0.004 1
1 785 . 16 1 1 A 58 58 GLU C C 58 179.660 178.585 1.075 1
1 786 . 16 1 1 A 58 58 GLU CA C 58 59.064 59.380 -0.316 1
1 787 . 16 1 1 A 58 58 GLU CB C 58 29.592 29.461 0.131 1
1 789 . 16 1 1 A 58 58 GLU N N 58 121.129 120.125 1.004 1
1 790 . 16 1 1 A 59 59 TYR H H 59 8.638 7.890 0.748 1
1 791 . 16 1 1 A 59 59 TYR HA H 59 3.949 4.051 -0.102 1
1 798 . 16 1 1 A 59 59 TYR C C 59 179.907 178.261 1.646 1
1 799 . 16 1 1 A 59 59 TYR CA C 59 61.870 61.238 0.632 1
1 800 . 16 1 1 A 59 59 TYR CB C 59 38.156 38.223 -0.067 1
1 803 . 16 1 1 A 59 59 TYR N N 59 124.461 120.872 3.589 1
1 804 . 16 1 1 A 60 60 GLY H H 60 8.925 8.553 0.372 1
1 805 . 16 1 1 A 60 60 GLY HA2 H 60 3.947 3.984 -0.037 1
1 806 . 16 1 1 A 60 60 GLY HA3 H 60 4.175 3.993 0.182 1
1 807 . 16 1 1 A 60 60 GLY C C 60 173.294 174.782 -1.488 1
1 808 . 16 1 1 A 60 60 GLY CA C 60 46.424 45.837 0.587 1
1 809 . 16 1 1 A 60 60 GLY N N 60 107.578 106.227 1.351 1
1 810 . 16 1 1 A 61 61 LEU H H 61 7.448 7.616 -0.168 1
1 811 . 16 1 1 A 61 61 LEU HA H 61 4.238 4.326 -0.088 1
1 821 . 16 1 1 A 61 61 LEU C C 61 179.159 177.878 1.281 1
1 822 . 16 1 1 A 61 61 LEU CA C 61 57.274 55.716 1.558 1
1 823 . 16 1 1 A 61 61 LEU CB C 61 42.304 42.328 -0.024 1
1 827 . 16 1 1 A 61 61 LEU N N 61 118.202 119.961 -1.759 1
1 828 . 16 1 1 A 62 62 THR H H 62 6.974 7.308 -0.334 1
1 829 . 16 1 1 A 62 62 THR HA H 62 4.385 4.554 -0.169 1
1 834 . 16 1 1 A 62 62 THR C C 62 173.170 172.990 0.180 1
1 835 . 16 1 1 A 62 62 THR CA C 62 59.813 60.956 -1.143 1
1 836 . 16 1 1 A 62 62 THR CB C 62 69.697 69.984 -0.287 1
1 838 . 16 1 1 A 62 62 THR N N 62 101.223 104.614 -3.391 1
1 839 . 16 1 1 A 63 63 HIS H H 63 7.041 7.450 -0.409 1
1 840 . 16 1 1 A 63 63 HIS HA H 63 4.861 5.004 -0.143 1
1 845 . 16 1 1 A 63 63 HIS C C 63 172.567 174.065 -1.498 1
1 846 . 16 1 1 A 63 63 HIS CA C 63 55.522 54.347 1.175 1
1 847 . 16 1 1 A 63 63 HIS CB C 63 32.328 33.442 -1.114 1
1 850 . 16 1 1 A 63 63 HIS N N 63 116.818 119.372 -2.554 1
1 853 . 16 1 1 A 64 64 SER H H 64 8.717 8.633 0.084 1
1 854 . 16 1 1 A 64 64 SER HA H 64 4.582 4.639 -0.057 1
1 857 . 16 1 1 A 64 64 SER C C 64 174.545 174.862 -0.317 1
1 858 . 16 1 1 A 64 64 SER CA C 64 57.169 57.419 -0.250 1
1 859 . 16 1 1 A 64 64 SER CB C 64 65.484 64.395 1.089 1
1 860 . 16 1 1 A 64 64 SER N N 64 116.128 116.062 0.066 1
1 861 . 16 1 1 A 65 65 TYR H H 65 9.054 9.198 -0.144 1
1 862 . 16 1 1 A 65 65 TYR HA H 65 4.059 4.132 -0.073 1
1 869 . 16 1 1 A 65 65 TYR C C 65 176.918 177.495 -0.577 1
1 870 . 16 1 1 A 65 65 TYR CA C 65 61.906 62.513 -0.607 1
1 871 . 16 1 1 A 65 65 TYR CB C 65 38.185 38.616 -0.431 1
1 874 . 16 1 1 A 65 65 TYR N N 65 121.679 126.297 -4.618 1
1 875 . 16 1 1 A 66 66 GLU H H 66 8.965 8.239 0.726 1
1 876 . 16 1 1 A 66 66 GLU HA H 66 3.888 4.022 -0.134 1
1 881 . 16 1 1 A 66 66 GLU C C 66 178.764 179.059 -0.295 1
1 882 . 16 1 1 A 66 66 GLU CA C 66 59.329 59.009 0.320 1
1 883 . 16 1 1 A 66 66 GLU CB C 66 28.874 29.331 -0.457 1
1 885 . 16 1 1 A 66 66 GLU N N 66 117.723 118.066 -0.343 1
1 886 . 16 1 1 A 67 67 THR H H 67 7.626 8.164 -0.538 1
1 887 . 16 1 1 A 67 67 THR HA H 67 3.864 4.096 -0.232 1
1 892 . 16 1 1 A 67 67 THR C C 67 176.681 176.393 0.288 1
1 893 . 16 1 1 A 67 67 THR CA C 67 66.368 67.155 -0.787 1
1 894 . 16 1 1 A 67 67 THR CB C 67 68.290 68.228 0.062 1
1 896 . 16 1 1 A 67 67 THR N N 67 116.084 118.166 -2.082 1
1 897 . 16 1 1 A 68 68 ILE H H 68 8.324 8.037 0.287 1
1 898 . 16 1 1 A 68 68 ILE HA H 68 3.686 3.931 -0.245 1
1 908 . 16 1 1 A 68 68 ILE C C 68 176.527 177.350 -0.823 1
1 909 . 16 1 1 A 68 68 ILE CA C 68 65.205 62.782 2.423 1
1 910 . 16 1 1 A 68 68 ILE CB C 68 38.355 37.668 0.687 1
1 914 . 16 1 1 A 68 68 ILE N N 68 123.174 120.657 2.517 1
1 915 . 16 1 1 A 69 69 ARG H H 69 8.407 7.997 0.410 1
1 916 . 16 1 1 A 69 69 ARG HA H 69 3.673 3.685 -0.012 1
1 923 . 16 1 1 A 69 69 ARG C C 69 179.687 178.402 1.285 1
1 924 . 16 1 1 A 69 69 ARG CA C 69 59.577 59.657 -0.080 1
1 925 . 16 1 1 A 69 69 ARG CB C 69 29.560 29.642 -0.082 1
1 928 . 16 1 1 A 69 69 ARG N N 69 121.358 121.899 -0.541 1
1 929 . 16 1 1 A 70 70 LYS H H 70 7.562 7.832 -0.270 1
1 930 . 16 1 1 A 70 70 LYS HA H 70 3.617 3.603 0.014 1
1 939 . 16 1 1 A 70 70 LYS C C 70 177.129 178.013 -0.884 1
1 940 . 16 1 1 A 70 70 LYS CA C 70 59.380 58.589 0.791 1
1 941 . 16 1 1 A 70 70 LYS CB C 70 31.978 32.037 -0.059 1
1 945 . 16 1 1 A 70 70 LYS N N 70 120.218 117.912 2.306 1
1 946 . 16 1 1 A 71 71 LEU H H 71 7.640 7.843 -0.203 1
1 947 . 16 1 1 A 71 71 LEU HA H 71 3.629 3.950 -0.321 1
1 957 . 16 1 1 A 71 71 LEU C C 71 178.157 178.299 -0.142 1
1 958 . 16 1 1 A 71 71 LEU CA C 71 58.477 58.168 0.309 1
1 959 . 16 1 1 A 71 71 LEU CB C 71 41.262 41.252 0.010 1
1 963 . 16 1 1 A 71 71 LEU N N 71 119.991 121.681 -1.690 1
1 964 . 16 1 1 A 72 72 ASN H H 72 8.474 8.341 0.133 1
1 965 . 16 1 1 A 72 72 ASN HA H 72 4.485 4.550 -0.065 1
1 970 . 16 1 1 A 72 72 ASN C C 72 176.285 177.693 -1.408 1
1 971 . 16 1 1 A 72 72 ASN CA C 72 56.424 56.667 -0.243 1
1 972 . 16 1 1 A 72 72 ASN CB C 72 39.544 39.338 0.206 1
1 973 . 16 1 1 A 72 72 ASN N N 72 114.097 117.647 -3.550 1
1 975 . 16 1 1 A 73 73 SER H H 73 7.878 8.140 -0.262 1
1 976 . 16 1 1 A 73 73 SER HA H 73 4.177 4.150 0.027 1
1 979 . 16 1 1 A 73 73 SER C C 73 176.734 176.582 0.152 1
1 980 . 16 1 1 A 73 73 SER CA C 73 61.741 62.329 -0.588 1
1 981 . 16 1 1 A 73 73 SER CB C 73 62.573 62.982 -0.409 1
1 982 . 16 1 1 A 73 73 SER N N 73 115.022 116.730 -1.708 1
1 983 . 16 1 1 A 74 74 TYR H H 74 8.078 7.731 0.347 1
1 984 . 16 1 1 A 74 74 TYR HA H 74 5.168 4.660 0.508 1
1 991 . 16 1 1 A 74 74 TYR C C 74 178.436 178.483 -0.047 1
1 992 . 16 1 1 A 74 74 TYR CA C 74 58.023 61.523 -3.500 1
1 993 . 16 1 1 A 74 74 TYR CB C 74 37.835 38.343 -0.508 1
1 996 . 16 1 1 A 74 74 TYR N N 74 122.937 119.780 3.157 1
1 997 . 16 1 1 A 75 75 ILE H H 75 8.264 8.639 -0.375 1
1 998 . 16 1 1 A 75 75 ILE HA H 75 3.647 3.868 -0.221 1
1 1008 . 16 1 1 A 75 75 ILE C C 75 177.656 177.969 -0.313 1
1 1009 . 16 1 1 A 75 75 ILE CA C 75 66.349 65.803 0.546 1
1 1010 . 16 1 1 A 75 75 ILE CB C 75 37.494 37.822 -0.328 1
1 1014 . 16 1 1 A 75 75 ILE N N 75 119.080 120.457 -1.377 1
1 1015 . 16 1 1 A 76 76 ARG H H 76 9.316 8.492 0.824 1
1 1016 . 16 1 1 A 76 76 ARG HA H 76 3.896 3.951 -0.055 1
1 1024 . 16 1 1 A 76 76 ARG C C 76 179.033 178.749 0.284 1
1 1025 . 16 1 1 A 76 76 ARG CA C 76 60.536 60.135 0.401 1
1 1026 . 16 1 1 A 76 76 ARG CB C 76 30.238 30.558 -0.320 1
1 1029 . 16 1 1 A 76 76 ARG N N 76 121.985 121.157 0.828 1
1 1031 . 16 1 1 A 77 77 ASN H H 77 8.003 8.200 -0.197 1
1 1032 . 16 1 1 A 77 77 ASN HA H 77 4.605 4.602 0.003 1
1 1037 . 16 1 1 A 77 77 ASN C C 77 177.146 177.910 -0.764 1
1 1038 . 16 1 1 A 77 77 ASN CA C 77 55.755 56.359 -0.604 1
1 1039 . 16 1 1 A 77 77 ASN CB C 77 38.857 38.284 0.573 1
1 1040 . 16 1 1 A 77 77 ASN N N 77 117.750 117.330 0.420 1
1 1042 . 16 1 1 A 78 78 ALA H H 78 8.082 7.642 0.440 1
1 1043 . 16 1 1 A 78 78 ALA HA H 78 2.351 2.697 -0.346 1
1 1047 . 16 1 1 A 78 78 ALA C C 78 181.084 179.871 1.213 1
1 1048 . 16 1 1 A 78 78 ALA CA C 78 54.703 54.332 0.371 1
1 1049 . 16 1 1 A 78 78 ALA CB C 78 16.121 17.869 -1.748 1
1 1050 . 16 1 1 A 78 78 ALA N N 78 124.770 122.959 1.811 1
1 1051 . 16 1 1 A 79 79 PHE H H 79 8.603 7.995 0.608 1
1 1052 . 16 1 1 A 79 79 PHE HA H 79 3.974 4.254 -0.280 1
1 1060 . 16 1 1 A 79 79 PHE C C 79 177.841 177.910 -0.069 1
1 1061 . 16 1 1 A 79 79 PHE CA C 79 63.302 62.363 0.939 1
1 1062 . 16 1 1 A 79 79 PHE CB C 79 40.594 38.438 2.156 1
1 1066 . 16 1 1 A 79 79 PHE N N 79 116.847 115.789 1.058 1
1 1067 . 16 1 1 A 80 80 ASP H H 80 8.298 8.706 -0.408 1
1 1068 . 16 1 1 A 80 80 ASP HA H 80 4.620 4.257 0.363 1
1 1071 . 16 1 1 A 80 80 ASP C C 80 179.845 177.891 1.954 1
1 1072 . 16 1 1 A 80 80 ASP CA C 80 57.957 57.995 -0.038 1
1 1073 . 16 1 1 A 80 80 ASP CB C 80 39.595 41.555 -1.960 1
1 1074 . 16 1 1 A 80 80 ASP N N 80 121.362 120.076 1.286 1
1 1075 . 16 1 1 A 81 81 ASP H H 81 8.051 8.552 -0.501 1
1 1076 . 16 1 1 A 81 81 ASP HA H 81 4.724 4.646 0.078 1
1 1079 . 16 1 1 A 81 81 ASP C C 81 177.963 178.186 -0.223 1
1 1080 . 16 1 1 A 81 81 ASP CA C 81 57.537 58.208 -0.671 1
1 1081 . 16 1 1 A 81 81 ASP CB C 81 39.463 42.311 -2.848 1
1 1082 . 16 1 1 A 81 81 ASP N N 81 122.166 119.396 2.770 1
1 1083 . 16 1 1 A 82 82 ALA H H 82 8.025 7.497 0.528 1
1 1084 . 16 1 1 A 82 82 ALA HA H 82 4.106 4.248 -0.142 1
1 1088 . 16 1 1 A 82 82 ALA C C 82 180.223 179.839 0.384 1
1 1089 . 16 1 1 A 82 82 ALA CA C 82 55.194 55.127 0.067 1
1 1090 . 16 1 1 A 82 82 ALA CB C 82 17.947 18.397 -0.450 1
1 1091 . 16 1 1 A 82 82 ALA N N 82 124.747 121.592 3.155 1
1 1092 . 16 1 1 A 83 83 ILE H H 83 8.327 8.326 0.001 1
1 1093 . 16 1 1 A 83 83 ILE HA H 83 4.235 3.940 0.295 1
1 1103 . 16 1 1 A 83 83 ILE C C 83 180.768 178.005 2.763 1
1 1104 . 16 1 1 A 83 83 ILE CA C 83 63.966 63.385 0.581 1
1 1105 . 16 1 1 A 83 83 ILE CB C 83 38.254 37.779 0.475 1
1 1109 . 16 1 1 A 83 83 ILE N N 83 120.907 119.432 1.475 1
1 1110 . 16 1 1 A 84 84 HIS H H 84 7.934 8.279 -0.345 1
1 1111 . 16 1 1 A 84 84 HIS HA H 84 4.434 4.452 -0.018 1
1 1116 . 16 1 1 A 84 84 HIS C C 84 178.250 176.837 1.413 1
1 1117 . 16 1 1 A 84 84 HIS CA C 84 59.042 58.471 0.571 1
1 1118 . 16 1 1 A 84 84 HIS CB C 84 28.750 29.688 -0.938 1
1 1121 . 16 1 1 A 84 84 HIS N N 84 121.346 121.021 0.325 1
1 1124 . 16 1 1 A 85 85 GLU H H 85 8.074 7.975 0.099 1
1 1125 . 16 1 1 A 85 85 GLU HA H 85 4.192 4.361 -0.169 1
1 1130 . 16 1 1 A 85 85 GLU C C 85 176.510 177.158 -0.648 1
1 1131 . 16 1 1 A 85 85 GLU CA C 85 56.512 56.258 0.254 1
1 1132 . 16 1 1 A 85 85 GLU CB C 85 30.284 30.608 -0.324 1
1 1134 . 16 1 1 A 85 85 GLU N N 85 115.467 116.518 -1.051 1
1 1135 . 16 1 1 A 86 86 GLY H H 86 7.715 7.982 -0.267 1
1 1136 . 16 1 1 A 86 86 GLY HA2 H 86 3.844 3.985 -0.141 1
1 1137 . 16 1 1 A 86 86 GLY HA3 H 86 4.136 3.999 0.137 1
1 1138 . 16 1 1 A 86 86 GLY C C 86 175.243 174.636 0.607 1
1 1139 . 16 1 1 A 86 86 GLY CA C 86 45.108 45.898 -0.790 1
1 1140 . 16 1 1 A 86 86 GLY N N 86 105.999 108.339 -2.340 1
1 1141 . 16 1 1 A 87 87 TYR H H 87 8.173 8.156 0.017 1
1 1142 . 16 1 1 A 87 87 TYR HA H 87 4.396 4.210 0.186 1
1 1149 . 16 1 1 A 87 87 TYR CA C 87 59.317 60.835 -1.518 1
1 1150 . 16 1 1 A 87 87 TYR CB C 87 39.558 39.355 0.203 1
1 1153 . 16 1 1 A 87 87 TYR N N 87 118.412 121.441 -3.029 1
1 1154 . 16 1 1 A 88 88 VAL HA H 88 4.583 4.518 0.065 1
1 1162 . 16 1 1 A 88 88 VAL CB C 88 36.112 35.126 0.986 1
1 1165 . 16 1 1 A 89 89 ILE HA H 89 4.426 4.272 0.154 1
1 1175 . 16 1 1 A 89 89 ILE CA C 89 61.984 59.790 2.194 1
1 1176 . 16 1 1 A 89 89 ILE CB C 89 39.850 38.750 1.100 1
1 1180 . 16 1 1 A 90 90 LYS H H 90 7.387 8.391 -1.004 1
1 1181 . 16 1 1 A 90 90 LYS HA H 90 4.508 4.048 0.460 1
1 1190 . 16 1 1 A 90 90 LYS C C 90 174.665 176.739 -2.074 1
1 1191 . 16 1 1 A 90 90 LYS CA C 90 54.111 56.957 -2.846 1
1 1192 . 16 1 1 A 90 90 LYS CB C 90 35.086 31.954 3.132 1
1 1196 . 16 1 1 A 91 91 ASN H H 91 8.803 8.458 0.345 1
1 1197 . 16 1 1 A 91 91 ASN HA H 91 4.279 4.330 -0.051 1
1 1202 . 16 1 1 A 91 91 ASN CB C 91 38.879 37.963 0.916 1
1 1203 . 16 1 1 A 91 91 ASN N N 91 120.903 122.374 -1.471 1
1 1205 . 16 1 1 A 92 92 PRO HA H 92 4.206 4.125 0.081 1
1 1212 . 16 1 1 A 92 92 PRO C C 92 174.751 176.642 -1.891 1
1 1213 . 16 1 1 A 92 92 PRO CA C 92 63.927 63.587 0.340 1
1 1214 . 16 1 1 A 92 92 PRO CB C 92 30.969 31.141 -0.172 1
1 1217 . 16 1 1 A 93 93 THR H H 93 7.441 7.542 -0.101 1
1 1218 . 16 1 1 A 93 93 THR HA H 93 4.093 4.178 -0.085 1
1 1224 . 16 1 1 A 93 93 THR C C 93 175.922 175.635 0.287 1
1 1225 . 16 1 1 A 93 93 THR CA C 93 62.221 62.908 -0.687 1
1 1226 . 16 1 1 A 93 93 THR CB C 93 69.463 68.690 0.773 1
1 1228 . 16 1 1 A 93 93 THR N N 93 105.991 110.025 -4.034 1
1 1229 . 16 1 1 A 94 94 TYR H H 94 7.139 7.864 -0.725 1
1 1230 . 16 1 1 A 94 94 TYR HA H 94 4.393 4.078 0.315 1
1 1237 . 16 1 1 A 94 94 TYR C C 94 176.180 176.031 0.149 1
1 1238 . 16 1 1 A 94 94 TYR CA C 94 58.272 61.587 -3.315 1
1 1239 . 16 1 1 A 94 94 TYR CB C 94 37.490 38.957 -1.467 1
1 1242 . 16 1 1 A 94 94 TYR N N 94 124.098 122.716 1.382 1
1 1243 . 16 1 1 A 95 95 LYS H H 95 8.904 7.800 1.104 1
1 1244 . 16 1 1 A 95 95 LYS HA H 95 3.758 4.586 -0.828 1
1 1253 . 16 1 1 A 95 95 LYS C C 95 175.547 174.943 0.604 1
1 1254 . 16 1 1 A 95 95 LYS CA C 95 57.078 55.039 2.039 1
1 1255 . 16 1 1 A 95 95 LYS CB C 95 29.962 33.267 -3.305 1
1 1259 . 16 1 1 A 95 95 LYS N N 95 121.317 116.821 4.496 1
1 1260 . 16 1 1 A 96 96 ALA H H 96 7.583 8.735 -1.152 1
1 1261 . 16 1 1 A 96 96 ALA HA H 96 4.157 4.950 -0.793 1
1 1265 . 16 1 1 A 96 96 ALA C C 96 177.630 175.484 2.146 1
1 1266 . 16 1 1 A 96 96 ALA CA C 96 53.298 50.741 2.557 1
1 1267 . 16 1 1 A 96 96 ALA CB C 96 18.807 19.896 -1.089 1
1 1268 . 16 1 1 A 96 96 ALA N N 96 121.832 127.384 -5.552 1
1 1269 . 16 1 1 A 97 97 GLU H H 97 9.243 8.826 0.417 1
1 1270 . 16 1 1 A 97 97 GLU HA H 97 4.347 4.734 -0.387 1
1 1275 . 16 1 1 A 97 97 GLU C C 97 175.890 175.516 0.374 1
1 1276 . 16 1 1 A 97 97 GLU CA C 97 55.198 55.686 -0.488 1
1 1277 . 16 1 1 A 97 97 GLU CB C 97 30.931 30.445 0.486 1
1 1279 . 16 1 1 A 97 97 GLU N N 97 121.989 123.346 -1.357 1
1 1280 . 16 1 1 A 98 98 LEU H H 98 8.401 9.147 -0.746 1
1 1281 . 16 1 1 A 98 98 LEU HA H 98 4.277 4.562 -0.285 1
1 1291 . 16 1 1 A 98 98 LEU C C 98 175.738 175.153 0.585 1
1 1292 . 16 1 1 A 98 98 LEU CA C 98 54.337 54.301 0.036 1
1 1293 . 16 1 1 A 98 98 LEU CB C 98 41.634 40.238 1.396 1
1 1297 . 16 1 1 A 98 98 LEU N N 98 123.414 127.117 -3.703 1
1 1298 . 16 1 1 A 99 99 HIS H H 99 8.749 8.834 -0.085 1
1 1299 . 16 1 1 A 99 99 HIS HA H 99 4.706 5.046 -0.340 1
1 1304 . 16 1 1 A 99 99 HIS C C 99 173.912 173.714 0.198 1
1 1305 . 16 1 1 A 99 99 HIS CA C 99 55.183 53.974 1.209 1
1 1306 . 16 1 1 A 99 99 HIS CB C 99 29.916 29.752 0.164 1
1 1309 . 16 1 1 A 99 99 HIS N N 99 121.129 125.162 -4.033 1
1 1312 . 16 1 1 A 100 100 ALA H H 100 8.369 8.756 -0.387 1
1 1313 . 16 1 1 A 100 100 ALA HA H 100 4.518 4.443 0.075 1
1 1317 . 16 1 1 A 100 100 ALA C C 100 177.533 177.872 -0.339 1
1 1318 . 16 1 1 A 100 100 ALA CA C 100 51.753 52.155 -0.402 1
1 1319 . 16 1 1 A 100 100 ALA CB C 100 20.081 19.017 1.064 1
1 1320 . 16 1 1 A 100 100 ALA N N 100 125.646 130.243 -4.597 1
1 1321 . 16 1 1 A 101 101 SER H H 101 8.357 8.437 -0.080 1
1 1322 . 16 1 1 A 101 101 SER HA H 101 4.452 4.210 0.242 1
1 1325 . 16 1 1 A 101 101 SER C C 101 174.729 175.672 -0.943 1
1 1326 . 16 1 1 A 101 101 SER CA C 101 58.781 59.766 -0.985 1
1 1327 . 16 1 1 A 101 101 SER CB C 101 63.865 63.270 0.595 1
1 1328 . 16 1 1 A 101 101 SER N N 101 115.505 119.191 -3.686 1
1 1329 . 16 1 1 A 102 102 VAL H H 102 7.884 7.473 0.411 1
1 1330 . 16 1 1 A 102 102 VAL HA H 102 4.111 3.868 0.243 1
1 1338 . 16 1 1 A 102 102 VAL C C 102 175.837 176.071 -0.234 1
1 1339 . 16 1 1 A 102 102 VAL CA C 102 62.237 65.712 -3.475 1
1 1340 . 16 1 1 A 102 102 VAL CB C 102 32.336 32.139 0.197 1
1 1343 . 16 1 1 A 102 102 VAL N N 102 120.880 119.579 1.301 1
1 1344 . 16 1 1 A 103 103 LEU H H 103 8.170 7.549 0.621 1
1 1345 . 16 1 1 A 103 103 LEU HA H 103 4.299 4.576 -0.277 1
1 1355 . 16 1 1 A 103 103 LEU C C 103 177.129 175.186 1.943 1
1 1356 . 16 1 1 A 103 103 LEU CA C 103 54.999 53.708 1.291 1
1 1357 . 16 1 1 A 103 103 LEU CB C 103 42.276 42.442 -0.166 1
1 1361 . 16 1 1 A 103 103 LEU N N 103 124.757 119.571 5.186 1
1 1362 . 16 1 1 A 104 104 GLU H H 104 8.244 8.855 -0.611 1
1 1363 . 16 1 1 A 104 104 GLU HA H 104 4.175 4.737 -0.562 1
1 1368 . 16 1 1 A 104 104 GLU C C 104 176.153 176.402 -0.249 1
1 1369 . 16 1 1 A 104 104 GLU CA C 104 56.413 54.678 1.735 1
1 1370 . 16 1 1 A 104 104 GLU CB C 104 30.270 30.747 -0.477 1
1 1372 . 16 1 1 A 104 104 GLU N N 104 121.146 126.556 -5.410 1
1 1373 . 16 1 1 A 105 105 HIS H H 105 8.242 8.867 -0.625 1
1 1376 . 16 1 1 A 105 105 HIS C C 105 174.967 175.590 -0.623 1
1 1377 . 16 1 1 A 105 105 HIS CA C 105 56.137 58.692 -2.555 1
1 1378 . 16 1 1 A 105 105 HIS CB C 105 30.290 30.210 0.080 1
1 13 . 17 1 1 A 2 2 ILE HA H 2 4.615 4.934 -0.319 1
1 23 . 17 1 1 A 2 2 ILE C C 2 175.630 174.153 1.477 1
1 24 . 17 1 1 A 2 2 ILE CA C 2 60.619 59.272 1.347 1
1 25 . 17 1 1 A 2 2 ILE CB C 2 40.542 42.227 -1.685 1
1 29 . 17 1 1 A 3 3 THR H H 3 9.133 8.578 0.555 1
1 30 . 17 1 1 A 3 3 THR HA H 3 4.656 4.542 0.114 1
1 36 . 17 1 1 A 3 3 THR C C 3 174.729 175.645 -0.916 1
1 37 . 17 1 1 A 3 3 THR CA C 3 61.509 61.216 0.293 1
1 38 . 17 1 1 A 3 3 THR CB C 3 69.896 69.987 -0.091 1
1 40 . 17 1 1 A 3 3 THR N N 3 119.091 117.411 1.680 1
1 41 . 17 1 1 A 4 4 PHE H H 4 8.642 9.996 -1.354 1
1 42 . 17 1 1 A 4 4 PHE HA H 4 4.576 4.003 0.573 1
1 50 . 17 1 1 A 4 4 PHE C C 4 176.302 177.344 -1.042 1
1 51 . 17 1 1 A 4 4 PHE CA C 4 58.368 62.680 -4.312 1
1 52 . 17 1 1 A 4 4 PHE CB C 4 37.526 39.556 -2.030 1
1 56 . 17 1 1 A 4 4 PHE N N 4 122.510 122.872 -0.362 1
1 57 . 17 1 1 A 5 5 ALA H H 5 9.195 8.366 0.829 1
1 58 . 17 1 1 A 5 5 ALA HA H 5 3.692 4.064 -0.372 1
1 62 . 17 1 1 A 5 5 ALA C C 5 178.210 180.215 -2.005 1
1 63 . 17 1 1 A 5 5 ALA CA C 5 56.073 55.200 0.873 1
1 64 . 17 1 1 A 5 5 ALA CB C 5 17.897 18.172 -0.275 1
1 65 . 17 1 1 A 5 5 ALA N N 5 120.106 121.805 -1.699 1
1 66 . 17 1 1 A 6 6 ASP H H 6 7.978 8.295 -0.317 1
1 67 . 17 1 1 A 6 6 ASP HA H 6 4.615 4.462 0.153 1
1 70 . 17 1 1 A 6 6 ASP C C 6 179.370 178.569 0.801 1
1 71 . 17 1 1 A 6 6 ASP CA C 6 57.369 57.165 0.204 1
1 72 . 17 1 1 A 6 6 ASP CB C 6 39.556 40.596 -1.040 1
1 73 . 17 1 1 A 6 6 ASP N N 6 115.486 118.789 -3.303 1
1 74 . 17 1 1 A 7 7 TYR H H 7 8.776 8.448 0.328 1
1 75 . 17 1 1 A 7 7 TYR HA H 7 3.984 4.284 -0.300 1
1 82 . 17 1 1 A 7 7 TYR C C 7 176.232 177.308 -1.076 1
1 83 . 17 1 1 A 7 7 TYR CA C 7 62.241 61.459 0.782 1
1 84 . 17 1 1 A 7 7 TYR CB C 7 38.521 38.325 0.196 1
1 87 . 17 1 1 A 7 7 TYR N N 7 120.885 122.349 -1.464 1
1 88 . 17 1 1 A 8 8 PHE H H 8 9.024 8.574 0.450 1
1 89 . 17 1 1 A 8 8 PHE HA H 8 3.732 4.014 -0.282 1
1 97 . 17 1 1 A 8 8 PHE C C 8 176.261 176.946 -0.685 1
1 98 . 17 1 1 A 8 8 PHE CA C 8 62.936 61.926 1.010 1
1 99 . 17 1 1 A 8 8 PHE CB C 8 39.553 38.717 0.836 1
1 103 . 17 1 1 A 8 8 PHE N N 8 118.754 120.275 -1.521 1
1 104 . 17 1 1 A 9 9 TYR H H 9 8.202 8.365 -0.163 1
1 105 . 17 1 1 A 9 9 TYR HA H 9 3.742 3.987 -0.245 1
1 112 . 17 1 1 A 9 9 TYR C C 9 176.496 177.116 -0.620 1
1 113 . 17 1 1 A 9 9 TYR CA C 9 62.939 61.268 1.671 1
1 114 . 17 1 1 A 9 9 TYR CB C 9 37.941 38.256 -0.315 1
1 117 . 17 1 1 A 9 9 TYR N N 9 117.271 120.349 -3.078 1
1 118 . 17 1 1 A 10 10 GLN H H 10 8.029 8.824 -0.795 1
1 119 . 17 1 1 A 10 10 GLN HA H 10 3.928 3.893 0.035 1
1 126 . 17 1 1 A 10 10 GLN C C 10 177.393 177.547 -0.154 1
1 127 . 17 1 1 A 10 10 GLN CA C 10 58.717 58.362 0.355 1
1 128 . 17 1 1 A 10 10 GLN CB C 10 28.482 28.605 -0.123 1
1 130 . 17 1 1 A 10 10 GLN N N 10 117.935 118.149 -0.214 1
1 132 . 17 1 1 A 11 11 TRP H H 11 8.772 8.326 0.446 1
1 133 . 17 1 1 A 11 11 TRP HA H 11 3.690 4.092 -0.402 1
1 142 . 17 1 1 A 11 11 TRP C C 11 178.487 177.418 1.069 1
1 143 . 17 1 1 A 11 11 TRP CA C 11 61.256 60.522 0.734 1
1 144 . 17 1 1 A 11 11 TRP CB C 11 27.472 29.251 -1.779 1
1 150 . 17 1 1 A 11 11 TRP N N 11 121.577 121.969 -0.392 1
1 152 . 17 1 1 A 12 12 TYR H H 12 8.168 8.015 0.153 1
1 153 . 17 1 1 A 12 12 TYR HA H 12 2.938 3.097 -0.159 1
1 160 . 17 1 1 A 12 12 TYR C C 12 177.277 177.644 -0.367 1
1 161 . 17 1 1 A 12 12 TYR CA C 12 59.178 60.879 -1.701 1
1 162 . 17 1 1 A 12 12 TYR CB C 12 36.729 38.098 -1.369 1
1 165 . 17 1 1 A 12 12 TYR N N 12 121.811 121.054 0.757 1
1 166 . 17 1 1 A 13 13 GLU H H 13 8.434 7.844 0.590 1
1 167 . 17 1 1 A 13 13 GLU HA H 13 2.996 3.322 -0.326 1
1 172 . 17 1 1 A 13 13 GLU C C 13 177.157 177.433 -0.276 1
1 173 . 17 1 1 A 13 13 GLU CA C 13 59.164 58.412 0.752 1
1 174 . 17 1 1 A 13 13 GLU CB C 13 29.447 29.193 0.254 1
1 176 . 17 1 1 A 13 13 GLU N N 13 123.599 119.640 3.959 1
1 177 . 17 1 1 A 14 14 VAL H H 14 7.605 6.943 0.662 1
1 178 . 17 1 1 A 14 14 VAL HA H 14 3.562 3.631 -0.069 1
1 186 . 17 1 1 A 14 14 VAL C C 14 177.289 177.354 -0.065 1
1 187 . 17 1 1 A 14 14 VAL CA C 14 64.338 64.720 -0.382 1
1 188 . 17 1 1 A 14 14 VAL CB C 14 32.669 31.980 0.689 1
1 191 . 17 1 1 A 14 14 VAL N N 14 113.566 118.521 -4.955 1
1 192 . 17 1 1 A 15 15 ASN H H 15 7.482 7.645 -0.163 1
1 193 . 17 1 1 A 15 15 ASN HA H 15 4.429 4.400 0.029 1
1 198 . 17 1 1 A 15 15 ASN C C 15 175.201 176.573 -1.372 1
1 199 . 17 1 1 A 15 15 ASN CA C 15 55.218 54.923 0.295 1
1 200 . 17 1 1 A 15 15 ASN CB C 15 39.927 38.547 1.380 1
1 201 . 17 1 1 A 15 15 ASN N N 15 112.195 118.097 -5.902 1
1 203 . 17 1 1 A 16 16 LYS H H 16 7.413 7.311 0.102 1
1 204 . 17 1 1 A 16 16 LYS HA H 16 4.338 4.303 0.035 1
1 213 . 17 1 1 A 16 16 LYS C C 16 175.309 177.189 -1.880 1
1 214 . 17 1 1 A 16 16 LYS CA C 16 54.807 55.522 -0.715 1
1 215 . 17 1 1 A 16 16 LYS CB C 16 32.665 32.981 -0.316 1
1 219 . 17 1 1 A 16 16 LYS N N 16 115.814 116.837 -1.023 1
1 220 . 17 1 1 A 17 17 LEU H H 17 7.490 7.059 0.431 1
1 221 . 17 1 1 A 17 17 LEU HA H 17 3.603 3.547 0.056 1
1 231 . 17 1 1 A 17 17 LEU C C 17 173.754 176.799 -3.045 1
1 232 . 17 1 1 A 17 17 LEU CA C 17 59.847 59.454 0.393 1
1 233 . 17 1 1 A 17 17 LEU CB C 17 39.552 39.558 -0.006 1
1 237 . 17 1 1 A 17 17 LEU N N 17 121.586 120.984 0.602 1
1 238 . 17 1 1 A 18 18 PRO HA H 18 4.107 4.229 -0.122 1
1 245 . 17 1 1 A 18 18 PRO C C 18 176.412 176.474 -0.062 1
1 246 . 17 1 1 A 18 18 PRO CA C 18 64.656 63.825 0.831 1
1 247 . 17 1 1 A 18 18 PRO CB C 18 30.980 32.466 -1.486 1
1 250 . 17 1 1 A 19 19 HIS H H 19 7.631 7.580 0.051 1
1 251 . 17 1 1 A 19 19 HIS HA H 19 4.857 4.586 0.271 1
1 256 . 17 1 1 A 19 19 HIS C C 19 175.822 175.080 0.742 1
1 257 . 17 1 1 A 19 19 HIS CA C 19 55.004 56.959 -1.955 1
1 258 . 17 1 1 A 19 19 HIS CB C 19 32.358 31.632 0.726 1
1 260 . 17 1 1 A 19 19 HIS N N 19 111.190 116.240 -5.050 1
1 263 . 17 1 1 A 20 20 VAL H H 20 7.124 7.667 -0.543 1
1 264 . 17 1 1 A 20 20 VAL HA H 20 4.728 4.191 0.537 1
1 272 . 17 1 1 A 20 20 VAL C C 20 175.497 175.784 -0.287 1
1 273 . 17 1 1 A 20 20 VAL CA C 20 60.134 61.064 -0.930 1
1 274 . 17 1 1 A 20 20 VAL CB C 20 34.199 33.175 1.024 1
1 277 . 17 1 1 A 20 20 VAL N N 20 112.191 116.568 -4.377 1
1 278 . 17 1 1 A 21 21 SER H H 21 8.589 9.061 -0.472 1
1 279 . 17 1 1 A 21 21 SER HA H 21 4.531 4.595 -0.064 1
1 282 . 17 1 1 A 21 21 SER C C 21 174.840 176.129 -1.289 1
1 283 . 17 1 1 A 21 21 SER CA C 21 57.236 58.100 -0.864 1
1 284 . 17 1 1 A 21 21 SER CB C 21 65.251 64.432 0.819 1
1 285 . 17 1 1 A 21 21 SER N N 21 116.825 119.737 -2.912 1
1 286 . 17 1 1 A 22 22 GLU H H 22 8.964 9.080 -0.116 1
1 287 . 17 1 1 A 22 22 GLU HA H 22 3.922 4.120 -0.198 1
1 292 . 17 1 1 A 22 22 GLU C C 22 178.606 178.857 -0.251 1
1 293 . 17 1 1 A 22 22 GLU CA C 22 59.837 59.094 0.743 1
1 294 . 17 1 1 A 22 22 GLU CB C 22 29.239 29.139 0.100 1
1 296 . 17 1 1 A 22 22 GLU N N 22 120.863 123.478 -2.615 1
1 297 . 17 1 1 A 23 23 SER H H 23 8.426 8.369 0.057 1
1 298 . 17 1 1 A 23 23 SER HA H 23 4.151 4.287 -0.136 1
1 301 . 17 1 1 A 23 23 SER C C 23 176.977 177.478 -0.501 1
1 302 . 17 1 1 A 23 23 SER CA C 23 61.220 61.402 -0.182 1
1 303 . 17 1 1 A 23 23 SER CB C 23 62.252 62.295 -0.043 1
1 304 . 17 1 1 A 23 23 SER N N 23 112.196 116.319 -4.123 1
1 305 . 17 1 1 A 24 24 THR H H 24 7.749 8.245 -0.496 1
1 306 . 17 1 1 A 24 24 THR HA H 24 4.163 4.331 -0.168 1
1 311 . 17 1 1 A 24 24 THR C C 24 176.523 177.209 -0.686 1
1 312 . 17 1 1 A 24 24 THR CA C 24 66.045 66.810 -0.765 1
1 313 . 17 1 1 A 24 24 THR CB C 24 68.305 68.325 -0.020 1
1 315 . 17 1 1 A 24 24 THR N N 24 120.348 117.257 3.091 1
1 316 . 17 1 1 A 25 25 LYS H H 25 8.605 8.104 0.501 1
1 317 . 17 1 1 A 25 25 LYS HA H 25 4.064 4.502 -0.438 1
1 326 . 17 1 1 A 25 25 LYS C C 25 178.447 179.456 -1.009 1
1 327 . 17 1 1 A 25 25 LYS CA C 25 61.087 60.165 0.922 1
1 328 . 17 1 1 A 25 25 LYS CB C 25 32.717 32.119 0.598 1
1 332 . 17 1 1 A 25 25 LYS N N 25 123.593 120.605 2.988 1
1 333 . 17 1 1 A 26 26 ARG H H 26 7.485 7.905 -0.420 1
1 334 . 17 1 1 A 26 26 ARG HA H 26 4.146 4.219 -0.073 1
1 341 . 17 1 1 A 26 26 ARG C C 26 179.845 179.034 0.811 1
1 342 . 17 1 1 A 26 26 ARG CA C 26 58.916 58.145 0.771 1
1 343 . 17 1 1 A 26 26 ARG CB C 26 30.384 29.663 0.721 1
1 346 . 17 1 1 A 26 26 ARG N N 26 114.116 119.074 -4.958 1
1 347 . 17 1 1 A 27 27 HIS H H 27 7.677 8.198 -0.521 1
1 348 . 17 1 1 A 27 27 HIS HA H 27 4.757 4.412 0.345 1
1 353 . 17 1 1 A 27 27 HIS C C 27 179.743 177.538 2.205 1
1 354 . 17 1 1 A 27 27 HIS CA C 27 58.659 59.228 -0.569 1
1 355 . 17 1 1 A 27 27 HIS CB C 27 30.967 30.248 0.719 1
1 358 . 17 1 1 A 27 27 HIS N N 27 119.389 118.320 1.069 1
1 361 . 17 1 1 A 28 28 TYR H H 28 8.119 8.166 -0.047 1
1 362 . 17 1 1 A 28 28 TYR HA H 28 4.009 4.007 0.002 1
1 369 . 17 1 1 A 28 28 TYR C C 28 178.685 178.356 0.329 1
1 370 . 17 1 1 A 28 28 TYR CA C 28 63.311 62.011 1.300 1
1 371 . 17 1 1 A 28 28 TYR CB C 28 38.879 37.447 1.432 1
1 374 . 17 1 1 A 28 28 TYR N N 28 121.786 117.157 4.629 1
1 375 . 17 1 1 A 29 29 GLU H H 29 8.631 8.218 0.413 1
1 376 . 17 1 1 A 29 29 GLU HA H 29 4.067 4.103 -0.036 1
1 381 . 17 1 1 A 29 29 GLU C C 29 179.950 178.704 1.246 1
1 382 . 17 1 1 A 29 29 GLU CA C 29 59.827 60.098 -0.271 1
1 383 . 17 1 1 A 29 29 GLU CB C 29 29.172 29.515 -0.343 1
1 385 . 17 1 1 A 29 29 GLU N N 29 119.090 120.202 -1.112 1
1 386 . 17 1 1 A 30 30 SER H H 30 8.307 8.516 -0.209 1
1 387 . 17 1 1 A 30 30 SER HA H 30 4.467 4.218 0.249 1
1 390 . 17 1 1 A 30 30 SER C C 30 177.445 176.487 0.958 1
1 391 . 17 1 1 A 30 30 SER CA C 30 61.068 62.075 -1.007 1
1 392 . 17 1 1 A 30 30 SER CB C 30 63.054 62.952 0.102 1
1 393 . 17 1 1 A 30 30 SER N N 30 115.027 116.569 -1.542 1
1 394 . 17 1 1 A 31 31 ALA H H 31 8.319 8.333 -0.014 1
1 395 . 17 1 1 A 31 31 ALA HA H 31 4.070 4.237 -0.167 1
1 399 . 17 1 1 A 31 31 ALA C C 31 178.488 179.544 -1.056 1
1 400 . 17 1 1 A 31 31 ALA CA C 31 55.926 55.133 0.793 1
1 401 . 17 1 1 A 31 31 ALA CB C 31 18.510 19.019 -0.509 1
1 402 . 17 1 1 A 31 31 ALA N N 31 124.966 123.648 1.318 1
1 403 . 17 1 1 A 32 32 TYR H H 32 8.537 8.878 -0.341 1
1 404 . 17 1 1 A 32 32 TYR HA H 32 4.114 4.217 -0.103 1
1 411 . 17 1 1 A 32 32 TYR C C 32 175.705 178.029 -2.324 1
1 412 . 17 1 1 A 32 32 TYR CA C 32 60.480 62.104 -1.624 1
1 413 . 17 1 1 A 32 32 TYR CB C 32 37.864 39.187 -1.323 1
1 416 . 17 1 1 A 32 32 TYR N N 32 116.814 119.928 -3.114 1
1 417 . 17 1 1 A 33 33 LYS H H 33 7.988 8.530 -0.542 1
1 418 . 17 1 1 A 33 33 LYS HA H 33 3.513 3.885 -0.372 1
1 427 . 17 1 1 A 33 33 LYS C C 33 178.474 178.778 -0.304 1
1 428 . 17 1 1 A 33 33 LYS CA C 33 59.810 58.998 0.812 1
1 429 . 17 1 1 A 33 33 LYS CB C 33 32.000 31.800 0.200 1
1 433 . 17 1 1 A 33 33 LYS N N 33 119.358 118.562 0.796 1
1 434 . 17 1 1 A 34 34 HIS H H 34 8.187 7.586 0.601 1
1 435 . 17 1 1 A 34 34 HIS HA H 34 4.449 4.562 -0.113 1
1 440 . 17 1 1 A 34 34 HIS C C 34 178.948 178.054 0.894 1
1 441 . 17 1 1 A 34 34 HIS CA C 34 60.883 60.259 0.624 1
1 442 . 17 1 1 A 34 34 HIS CB C 34 28.843 30.922 -2.079 1
1 445 . 17 1 1 A 34 34 HIS N N 34 116.156 118.818 -2.662 1
1 448 . 17 1 1 A 35 35 ILE H H 35 8.676 8.312 0.364 1
1 449 . 17 1 1 A 35 35 ILE HA H 35 3.513 3.533 -0.020 1
1 459 . 17 1 1 A 35 35 ILE C C 35 177.630 178.328 -0.698 1
1 460 . 17 1 1 A 35 35 ILE CA C 35 65.690 65.406 0.284 1
1 461 . 17 1 1 A 35 35 ILE CB C 35 38.481 37.583 0.898 1
1 465 . 17 1 1 A 35 35 ILE N N 35 121.824 120.408 1.416 1
1 466 . 17 1 1 A 36 36 LYS H H 36 8.797 8.559 0.238 1
1 467 . 17 1 1 A 36 36 LYS HA H 36 3.712 3.900 -0.188 1
1 476 . 17 1 1 A 36 36 LYS C C 36 179.397 177.863 1.534 1
1 477 . 17 1 1 A 36 36 LYS CA C 36 59.860 58.777 1.083 1
1 478 . 17 1 1 A 36 36 LYS CB C 36 31.878 31.745 0.133 1
1 482 . 17 1 1 A 36 36 LYS N N 36 121.589 120.658 0.931 1
1 483 . 17 1 1 A 37 37 ASP H H 37 8.246 7.874 0.372 1
1 484 . 17 1 1 A 37 37 ASP HA H 37 4.336 4.351 -0.015 1
1 487 . 17 1 1 A 37 37 ASP C C 37 177.234 178.405 -1.171 1
1 488 . 17 1 1 A 37 37 ASP CA C 37 56.932 57.306 -0.374 1
1 489 . 17 1 1 A 37 37 ASP CB C 37 40.576 41.280 -0.704 1
1 490 . 17 1 1 A 37 37 ASP N N 37 118.225 119.074 -0.849 1
1 491 . 17 1 1 A 38 38 HIS H H 38 7.867 8.167 -0.300 1
1 492 . 17 1 1 A 38 38 HIS HA H 38 4.284 4.178 0.106 1
1 496 . 17 1 1 A 38 38 HIS C C 38 176.839 175.485 1.354 1
1 497 . 17 1 1 A 38 38 HIS CA C 38 59.389 58.782 0.607 1
1 498 . 17 1 1 A 38 38 HIS CB C 38 31.630 29.588 2.042 1
1 500 . 17 1 1 A 38 38 HIS N N 38 115.487 119.276 -3.789 1
1 501 . 17 1 1 A 39 39 PHE H H 39 9.082 8.363 0.719 1
1 502 . 17 1 1 A 39 39 PHE HA H 39 4.369 5.004 -0.635 1
1 510 . 17 1 1 A 39 39 PHE C C 39 175.890 174.811 1.079 1
1 511 . 17 1 1 A 39 39 PHE CA C 39 60.159 56.096 4.063 1
1 512 . 17 1 1 A 39 39 PHE CB C 39 38.850 38.689 0.161 1
1 516 . 17 1 1 A 39 39 PHE N N 39 114.327 116.026 -1.699 1
1 517 . 17 1 1 A 40 40 ARG H H 40 8.104 8.317 -0.213 1
1 518 . 17 1 1 A 40 40 ARG HA H 40 3.921 4.544 -0.623 1
1 525 . 17 1 1 A 40 40 ARG C C 40 176.892 176.536 0.356 1
1 526 . 17 1 1 A 40 40 ARG CA C 40 58.009 55.368 2.641 1
1 527 . 17 1 1 A 40 40 ARG CB C 40 27.531 29.593 -2.062 1
1 530 . 17 1 1 A 40 40 ARG N N 40 118.379 124.138 -5.759 1
1 531 . 17 1 1 A 41 41 HIS H H 41 8.589 8.544 0.045 1
1 532 . 17 1 1 A 41 41 HIS HA H 41 4.910 4.103 0.807 1
1 536 . 17 1 1 A 41 41 HIS C C 41 174.835 173.719 1.116 1
1 537 . 17 1 1 A 41 41 HIS CA C 41 55.473 57.060 -1.587 1
1 538 . 17 1 1 A 41 41 HIS CB C 41 29.720 26.587 3.133 1
1 540 . 17 1 1 A 41 41 HIS N N 41 123.828 119.449 4.379 1
1 541 . 17 1 1 A 42 42 LYS H H 42 8.326 7.974 0.352 1
1 542 . 17 1 1 A 42 42 LYS HA H 42 4.181 4.392 -0.211 1
1 551 . 17 1 1 A 42 42 LYS C C 42 177.973 176.606 1.367 1
1 552 . 17 1 1 A 42 42 LYS CA C 42 58.201 56.313 1.888 1
1 553 . 17 1 1 A 42 42 LYS CB C 42 33.047 33.553 -0.506 1
1 557 . 17 1 1 A 42 42 LYS N N 42 121.129 119.842 1.287 1
1 558 . 17 1 1 A 43 43 LEU H H 43 9.243 8.551 0.692 1
1 559 . 17 1 1 A 43 43 LEU HA H 43 4.346 4.314 0.032 1
1 569 . 17 1 1 A 43 43 LEU C C 43 177.840 179.171 -1.331 1
1 570 . 17 1 1 A 43 43 LEU CA C 43 55.420 55.295 0.125 1
1 571 . 17 1 1 A 43 43 LEU CB C 43 40.936 41.829 -0.893 1
1 575 . 17 1 1 A 43 43 LEU N N 43 124.529 127.374 -2.845 1
1 576 . 17 1 1 A 44 44 LEU H H 44 8.404 8.418 -0.014 1
1 577 . 17 1 1 A 44 44 LEU HA H 44 3.681 3.868 -0.187 1
1 587 . 17 1 1 A 44 44 LEU C C 44 177.962 177.321 0.641 1
1 588 . 17 1 1 A 44 44 LEU CA C 44 58.773 57.959 0.814 1
1 589 . 17 1 1 A 44 44 LEU CB C 44 42.661 41.322 1.339 1
1 593 . 17 1 1 A 44 44 LEU N N 44 123.643 124.186 -0.543 1
1 594 . 17 1 1 A 45 45 LYS HA H 45 4.126 4.134 -0.008 1
1 603 . 17 1 1 A 45 45 LYS C C 45 175.533 176.710 -1.177 1
1 604 . 17 1 1 A 45 45 LYS CA C 45 57.405 57.859 -0.454 1
1 605 . 17 1 1 A 45 45 LYS CB C 45 31.650 32.517 -0.867 1
1 609 . 17 1 1 A 46 46 ASP H H 46 7.520 8.241 -0.721 1
1 610 . 17 1 1 A 46 46 ASP HA H 46 4.888 4.698 0.190 1
1 613 . 17 1 1 A 46 46 ASP C C 46 175.811 176.300 -0.489 1
1 614 . 17 1 1 A 46 46 ASP CA C 46 54.268 53.510 0.758 1
1 615 . 17 1 1 A 46 46 ASP CB C 46 42.178 41.043 1.135 1
1 616 . 17 1 1 A 46 46 ASP N N 46 118.587 119.108 -0.521 1
1 617 . 17 1 1 A 47 47 ILE H H 47 6.965 7.201 -0.236 1
1 618 . 17 1 1 A 47 47 ILE HA H 47 4.048 3.829 0.219 1
1 628 . 17 1 1 A 47 47 ILE C C 47 175.362 175.300 0.062 1
1 629 . 17 1 1 A 47 47 ILE CA C 47 59.826 61.534 -1.708 1
1 630 . 17 1 1 A 47 47 ILE CB C 47 34.389 37.437 -3.048 1
1 634 . 17 1 1 A 47 47 ILE N N 47 119.126 122.009 -2.883 1
1 635 . 17 1 1 A 48 48 LYS H H 48 8.489 8.784 -0.295 1
1 636 . 17 1 1 A 48 48 LYS HA H 48 4.635 4.307 0.328 1
1 645 . 17 1 1 A 48 48 LYS C C 48 177.252 178.285 -1.033 1
1 646 . 17 1 1 A 48 48 LYS CA C 48 54.357 56.481 -2.124 1
1 647 . 17 1 1 A 48 48 LYS CB C 48 34.753 33.081 1.672 1
1 651 . 17 1 1 A 48 48 LYS N N 48 127.892 127.762 0.130 1
1 652 . 17 1 1 A 49 49 ARG H H 49 8.816 8.920 -0.104 1
1 653 . 17 1 1 A 49 49 ARG HA H 49 4.314 3.972 0.342 1
1 660 . 17 1 1 A 49 49 ARG C C 49 178.464 178.258 0.206 1
1 661 . 17 1 1 A 49 49 ARG CA C 49 60.341 59.753 0.588 1
1 662 . 17 1 1 A 49 49 ARG CB C 49 30.197 29.841 0.356 1
1 665 . 17 1 1 A 49 49 ARG N N 49 122.736 123.161 -0.425 1
1 666 . 17 1 1 A 50 50 THR H H 50 8.269 8.074 0.195 1
1 667 . 17 1 1 A 50 50 THR HA H 50 4.079 4.044 0.035 1
1 672 . 17 1 1 A 50 50 THR C C 50 177.316 177.096 0.220 1
1 673 . 17 1 1 A 50 50 THR CA C 50 65.501 65.687 -0.186 1
1 674 . 17 1 1 A 50 50 THR CB C 50 67.951 68.215 -0.264 1
1 676 . 17 1 1 A 50 50 THR N N 50 110.696 113.411 -2.715 1
1 677 . 17 1 1 A 51 51 GLU H H 51 7.260 8.261 -1.001 1
1 678 . 17 1 1 A 51 51 GLU HA H 51 4.239 4.108 0.131 1
1 683 . 17 1 1 A 51 51 GLU C C 51 179.621 178.918 0.703 1
1 684 . 17 1 1 A 51 51 GLU CA C 51 58.921 60.738 -1.817 1
1 685 . 17 1 1 A 51 51 GLU CB C 51 29.916 29.500 0.416 1
1 687 . 17 1 1 A 51 51 GLU N N 51 121.344 122.183 -0.839 1
1 688 . 17 1 1 A 52 52 TYR H H 52 8.678 8.502 0.176 1
1 689 . 17 1 1 A 52 52 TYR HA H 52 4.376 4.210 0.166 1
1 697 . 17 1 1 A 52 52 TYR C C 52 176.120 177.536 -1.416 1
1 698 . 17 1 1 A 52 52 TYR CA C 52 62.660 61.541 1.119 1
1 699 . 17 1 1 A 52 52 TYR CB C 52 38.206 38.587 -0.381 1
1 702 . 17 1 1 A 52 52 TYR N N 52 122.483 121.420 1.063 1
1 703 . 17 1 1 A 53 53 GLN H H 53 8.801 8.072 0.729 1
1 704 . 17 1 1 A 53 53 GLN HA H 53 3.721 3.742 -0.021 1
1 711 . 17 1 1 A 53 53 GLN C C 53 177.894 178.162 -0.268 1
1 712 . 17 1 1 A 53 53 GLN CA C 53 58.111 58.533 -0.422 1
1 713 . 17 1 1 A 53 53 GLN CB C 53 28.909 28.687 0.222 1
1 715 . 17 1 1 A 53 53 GLN N N 53 118.817 118.056 0.761 1
1 717 . 17 1 1 A 54 54 LYS H H 54 7.685 8.262 -0.577 1
1 718 . 17 1 1 A 54 54 LYS HA H 54 4.051 4.219 -0.168 1
1 727 . 17 1 1 A 54 54 LYS C C 54 178.918 178.882 0.036 1
1 728 . 17 1 1 A 54 54 LYS CA C 54 59.845 59.199 0.646 1
1 729 . 17 1 1 A 54 54 LYS CB C 54 32.339 32.158 0.181 1
1 733 . 17 1 1 A 54 54 LYS N N 54 118.629 118.886 -0.257 1
1 734 . 17 1 1 A 55 55 PHE H H 55 7.533 8.431 -0.898 1
1 735 . 17 1 1 A 55 55 PHE HA H 55 3.660 4.020 -0.360 1
1 743 . 17 1 1 A 55 55 PHE C C 55 176.180 176.700 -0.520 1
1 744 . 17 1 1 A 55 55 PHE CA C 55 59.494 61.328 -1.834 1
1 745 . 17 1 1 A 55 55 PHE CB C 55 38.189 38.871 -0.682 1
1 749 . 17 1 1 A 55 55 PHE N N 55 120.449 120.743 -0.294 1
1 750 . 17 1 1 A 56 56 LEU H H 56 8.019 8.233 -0.214 1
1 751 . 17 1 1 A 56 56 LEU HA H 56 3.254 3.661 -0.407 1
1 761 . 17 1 1 A 56 56 LEU C C 56 179.581 179.176 0.405 1
1 762 . 17 1 1 A 56 56 LEU CA C 56 57.366 57.566 -0.200 1
1 763 . 17 1 1 A 56 56 LEU CB C 56 41.462 40.857 0.605 1
1 767 . 17 1 1 A 56 56 LEU N N 56 120.223 119.497 0.726 1
1 768 . 17 1 1 A 57 57 ASN H H 57 8.427 8.459 -0.032 1
1 769 . 17 1 1 A 57 57 ASN HA H 57 4.324 4.384 -0.060 1
1 774 . 17 1 1 A 57 57 ASN C C 57 178.105 178.365 -0.260 1
1 775 . 17 1 1 A 57 57 ASN CA C 57 55.194 56.540 -1.346 1
1 776 . 17 1 1 A 57 57 ASN CB C 57 36.948 37.877 -0.929 1
1 777 . 17 1 1 A 57 57 ASN N N 57 118.422 118.594 -0.172 1
1 779 . 17 1 1 A 58 58 GLU H H 58 7.873 8.442 -0.569 1
1 780 . 17 1 1 A 58 58 GLU HA H 58 4.063 4.011 0.052 1
1 785 . 17 1 1 A 58 58 GLU C C 58 179.660 178.818 0.842 1
1 786 . 17 1 1 A 58 58 GLU CA C 58 59.064 59.352 -0.288 1
1 787 . 17 1 1 A 58 58 GLU CB C 58 29.592 29.503 0.089 1
1 789 . 17 1 1 A 58 58 GLU N N 58 121.129 119.258 1.871 1
1 790 . 17 1 1 A 59 59 TYR H H 59 8.638 7.875 0.763 1
1 791 . 17 1 1 A 59 59 TYR HA H 59 3.949 3.952 -0.003 1
1 798 . 17 1 1 A 59 59 TYR C C 59 179.907 178.155 1.752 1
1 799 . 17 1 1 A 59 59 TYR CA C 59 61.870 60.857 1.013 1
1 800 . 17 1 1 A 59 59 TYR CB C 59 38.156 38.071 0.085 1
1 803 . 17 1 1 A 59 59 TYR N N 59 124.461 120.945 3.516 1
1 804 . 17 1 1 A 60 60 GLY H H 60 8.925 8.503 0.422 1
1 805 . 17 1 1 A 60 60 GLY HA2 H 60 3.947 3.988 -0.041 1
1 806 . 17 1 1 A 60 60 GLY HA3 H 60 4.175 3.992 0.183 1
1 807 . 17 1 1 A 60 60 GLY C C 60 173.294 174.711 -1.417 1
1 808 . 17 1 1 A 60 60 GLY CA C 60 46.424 45.911 0.513 1
1 809 . 17 1 1 A 60 60 GLY N N 60 107.578 106.219 1.359 1
1 810 . 17 1 1 A 61 61 LEU H H 61 7.448 7.828 -0.380 1
1 811 . 17 1 1 A 61 61 LEU HA H 61 4.238 4.321 -0.083 1
1 821 . 17 1 1 A 61 61 LEU C C 61 179.159 177.864 1.295 1
1 822 . 17 1 1 A 61 61 LEU CA C 61 57.274 55.627 1.647 1
1 823 . 17 1 1 A 61 61 LEU CB C 61 42.304 42.438 -0.134 1
1 827 . 17 1 1 A 61 61 LEU N N 61 118.202 120.003 -1.801 1
1 828 . 17 1 1 A 62 62 THR H H 62 6.974 7.350 -0.376 1
1 829 . 17 1 1 A 62 62 THR HA H 62 4.385 4.562 -0.177 1
1 834 . 17 1 1 A 62 62 THR C C 62 173.170 173.428 -0.258 1
1 835 . 17 1 1 A 62 62 THR CA C 62 59.813 61.250 -1.437 1
1 836 . 17 1 1 A 62 62 THR CB C 62 69.697 70.586 -0.889 1
1 838 . 17 1 1 A 62 62 THR N N 62 101.223 105.018 -3.795 1
1 839 . 17 1 1 A 63 63 HIS H H 63 7.041 7.335 -0.294 1
1 840 . 17 1 1 A 63 63 HIS HA H 63 4.861 4.906 -0.045 1
1 845 . 17 1 1 A 63 63 HIS C C 63 172.567 174.315 -1.748 1
1 846 . 17 1 1 A 63 63 HIS CA C 63 55.522 54.662 0.860 1
1 847 . 17 1 1 A 63 63 HIS CB C 63 32.328 33.736 -1.408 1
1 850 . 17 1 1 A 63 63 HIS N N 63 116.818 119.442 -2.624 1
1 853 . 17 1 1 A 64 64 SER H H 64 8.717 8.636 0.081 1
1 854 . 17 1 1 A 64 64 SER HA H 64 4.582 4.671 -0.089 1
1 857 . 17 1 1 A 64 64 SER C C 64 174.545 174.760 -0.215 1
1 858 . 17 1 1 A 64 64 SER CA C 64 57.169 57.617 -0.448 1
1 859 . 17 1 1 A 64 64 SER CB C 64 65.484 64.402 1.082 1
1 860 . 17 1 1 A 64 64 SER N N 64 116.128 115.613 0.515 1
1 861 . 17 1 1 A 65 65 TYR H H 65 9.054 9.188 -0.134 1
1 862 . 17 1 1 A 65 65 TYR HA H 65 4.059 4.164 -0.105 1
1 869 . 17 1 1 A 65 65 TYR C C 65 176.918 177.631 -0.713 1
1 870 . 17 1 1 A 65 65 TYR CA C 65 61.906 62.421 -0.515 1
1 871 . 17 1 1 A 65 65 TYR CB C 65 38.185 38.626 -0.441 1
1 874 . 17 1 1 A 65 65 TYR N N 65 121.679 126.588 -4.909 1
1 875 . 17 1 1 A 66 66 GLU H H 66 8.965 8.289 0.676 1
1 876 . 17 1 1 A 66 66 GLU HA H 66 3.888 3.981 -0.093 1
1 881 . 17 1 1 A 66 66 GLU C C 66 178.764 179.217 -0.453 1
1 882 . 17 1 1 A 66 66 GLU CA C 66 59.329 59.042 0.287 1
1 883 . 17 1 1 A 66 66 GLU CB C 66 28.874 29.248 -0.374 1
1 885 . 17 1 1 A 66 66 GLU N N 66 117.723 120.035 -2.312 1
1 886 . 17 1 1 A 67 67 THR H H 67 7.626 8.148 -0.522 1
1 887 . 17 1 1 A 67 67 THR HA H 67 3.864 4.174 -0.310 1
1 892 . 17 1 1 A 67 67 THR C C 67 176.681 176.285 0.396 1
1 893 . 17 1 1 A 67 67 THR CA C 67 66.368 67.387 -1.019 1
1 894 . 17 1 1 A 67 67 THR CB C 67 68.290 68.615 -0.325 1
1 896 . 17 1 1 A 67 67 THR N N 67 116.084 116.855 -0.771 1
1 897 . 17 1 1 A 68 68 ILE H H 68 8.324 8.201 0.123 1
1 898 . 17 1 1 A 68 68 ILE HA H 68 3.686 3.773 -0.087 1
1 908 . 17 1 1 A 68 68 ILE C C 68 176.527 177.571 -1.044 1
1 909 . 17 1 1 A 68 68 ILE CA C 68 65.205 62.752 2.453 1
1 910 . 17 1 1 A 68 68 ILE CB C 68 38.355 37.709 0.646 1
1 914 . 17 1 1 A 68 68 ILE N N 68 123.174 120.469 2.705 1
1 915 . 17 1 1 A 69 69 ARG H H 69 8.407 8.026 0.381 1
1 916 . 17 1 1 A 69 69 ARG HA H 69 3.673 3.648 0.025 1
1 923 . 17 1 1 A 69 69 ARG C C 69 179.687 178.128 1.559 1
1 924 . 17 1 1 A 69 69 ARG CA C 69 59.577 59.456 0.121 1
1 925 . 17 1 1 A 69 69 ARG CB C 69 29.560 29.254 0.306 1
1 928 . 17 1 1 A 69 69 ARG N N 69 121.358 121.529 -0.171 1
1 929 . 17 1 1 A 70 70 LYS H H 70 7.562 7.836 -0.274 1
1 930 . 17 1 1 A 70 70 LYS HA H 70 3.617 4.343 -0.726 1
1 939 . 17 1 1 A 70 70 LYS C C 70 177.129 178.370 -1.241 1
1 940 . 17 1 1 A 70 70 LYS CA C 70 59.380 59.448 -0.068 1
1 941 . 17 1 1 A 70 70 LYS CB C 70 31.978 31.764 0.214 1
1 945 . 17 1 1 A 70 70 LYS N N 70 120.218 119.049 1.169 1
1 946 . 17 1 1 A 71 71 LEU H H 71 7.640 8.250 -0.610 1
1 947 . 17 1 1 A 71 71 LEU HA H 71 3.629 3.923 -0.294 1
1 957 . 17 1 1 A 71 71 LEU C C 71 178.157 178.391 -0.234 1
1 958 . 17 1 1 A 71 71 LEU CA C 71 58.477 58.187 0.290 1
1 959 . 17 1 1 A 71 71 LEU CB C 71 41.262 41.214 0.048 1
1 963 . 17 1 1 A 71 71 LEU N N 71 119.991 120.832 -0.841 1
1 964 . 17 1 1 A 72 72 ASN H H 72 8.474 8.436 0.038 1
1 965 . 17 1 1 A 72 72 ASN HA H 72 4.485 4.785 -0.300 1
1 970 . 17 1 1 A 72 72 ASN C C 72 176.285 177.219 -0.934 1
1 971 . 17 1 1 A 72 72 ASN CA C 72 56.424 56.988 -0.564 1
1 972 . 17 1 1 A 72 72 ASN CB C 72 39.544 39.694 -0.150 1
1 973 . 17 1 1 A 72 72 ASN N N 72 114.097 117.493 -3.396 1
1 975 . 17 1 1 A 73 73 SER H H 73 7.878 7.713 0.165 1
1 976 . 17 1 1 A 73 73 SER HA H 73 4.177 4.202 -0.025 1
1 979 . 17 1 1 A 73 73 SER C C 73 176.734 176.865 -0.131 1
1 980 . 17 1 1 A 73 73 SER CA C 73 61.741 61.236 0.505 1
1 981 . 17 1 1 A 73 73 SER CB C 73 62.573 62.958 -0.385 1
1 982 . 17 1 1 A 73 73 SER N N 73 115.022 113.859 1.163 1
1 983 . 17 1 1 A 74 74 TYR H H 74 8.078 8.023 0.055 1
1 984 . 17 1 1 A 74 74 TYR HA H 74 5.168 4.623 0.545 1
1 991 . 17 1 1 A 74 74 TYR C C 74 178.436 178.530 -0.094 1
1 992 . 17 1 1 A 74 74 TYR CA C 74 58.023 60.977 -2.954 1
1 993 . 17 1 1 A 74 74 TYR CB C 74 37.835 38.622 -0.787 1
1 996 . 17 1 1 A 74 74 TYR N N 74 122.937 118.518 4.419 1
1 997 . 17 1 1 A 75 75 ILE H H 75 8.264 8.550 -0.286 1
1 998 . 17 1 1 A 75 75 ILE HA H 75 3.647 3.852 -0.205 1
1 1008 . 17 1 1 A 75 75 ILE C C 75 177.656 178.479 -0.823 1
1 1009 . 17 1 1 A 75 75 ILE CA C 75 66.349 65.298 1.051 1
1 1010 . 17 1 1 A 75 75 ILE CB C 75 37.494 37.311 0.183 1
1 1014 . 17 1 1 A 75 75 ILE N N 75 119.080 120.191 -1.111 1
1 1015 . 17 1 1 A 76 76 ARG H H 76 9.316 8.175 1.141 1
1 1016 . 17 1 1 A 76 76 ARG HA H 76 3.896 4.076 -0.180 1
1 1024 . 17 1 1 A 76 76 ARG C C 76 179.033 178.503 0.530 1
1 1025 . 17 1 1 A 76 76 ARG CA C 76 60.536 59.924 0.612 1
1 1026 . 17 1 1 A 76 76 ARG CB C 76 30.238 29.808 0.430 1
1 1029 . 17 1 1 A 76 76 ARG N N 76 121.985 121.953 0.032 1
1 1031 . 17 1 1 A 77 77 ASN H H 77 8.003 8.468 -0.465 1
1 1032 . 17 1 1 A 77 77 ASN HA H 77 4.605 4.547 0.058 1
1 1037 . 17 1 1 A 77 77 ASN C C 77 177.146 177.805 -0.659 1
1 1038 . 17 1 1 A 77 77 ASN CA C 77 55.755 56.129 -0.374 1
1 1039 . 17 1 1 A 77 77 ASN CB C 77 38.857 38.227 0.630 1
1 1040 . 17 1 1 A 77 77 ASN N N 77 117.750 118.071 -0.321 1
1 1042 . 17 1 1 A 78 78 ALA H H 78 8.082 7.623 0.459 1
1 1043 . 17 1 1 A 78 78 ALA HA H 78 2.351 2.451 -0.100 1
1 1047 . 17 1 1 A 78 78 ALA C C 78 181.084 179.524 1.560 1
1 1048 . 17 1 1 A 78 78 ALA CA C 78 54.703 54.109 0.594 1
1 1049 . 17 1 1 A 78 78 ALA CB C 78 16.121 17.759 -1.638 1
1 1050 . 17 1 1 A 78 78 ALA N N 78 124.770 122.806 1.964 1
1 1051 . 17 1 1 A 79 79 PHE H H 79 8.603 7.885 0.718 1
1 1052 . 17 1 1 A 79 79 PHE HA H 79 3.974 4.219 -0.245 1
1 1060 . 17 1 1 A 79 79 PHE C C 79 177.841 177.633 0.208 1
1 1061 . 17 1 1 A 79 79 PHE CA C 79 63.302 61.447 1.855 1
1 1062 . 17 1 1 A 79 79 PHE CB C 79 40.594 38.180 2.414 1
1 1066 . 17 1 1 A 79 79 PHE N N 79 116.847 115.667 1.180 1
1 1067 . 17 1 1 A 80 80 ASP H H 80 8.298 8.418 -0.120 1
1 1068 . 17 1 1 A 80 80 ASP HA H 80 4.620 4.422 0.198 1
1 1071 . 17 1 1 A 80 80 ASP C C 80 179.845 178.178 1.667 1
1 1072 . 17 1 1 A 80 80 ASP CA C 80 57.957 57.930 0.027 1
1 1073 . 17 1 1 A 80 80 ASP CB C 80 39.595 42.182 -2.587 1
1 1074 . 17 1 1 A 80 80 ASP N N 80 121.362 120.373 0.989 1
1 1075 . 17 1 1 A 81 81 ASP H H 81 8.051 7.823 0.228 1
1 1076 . 17 1 1 A 81 81 ASP HA H 81 4.724 4.473 0.251 1
1 1079 . 17 1 1 A 81 81 ASP C C 81 177.963 178.931 -0.968 1
1 1080 . 17 1 1 A 81 81 ASP CA C 81 57.537 57.227 0.310 1
1 1081 . 17 1 1 A 81 81 ASP CB C 81 39.463 40.450 -0.987 1
1 1082 . 17 1 1 A 81 81 ASP N N 81 122.166 118.495 3.671 1
1 1083 . 17 1 1 A 82 82 ALA H H 82 8.025 8.268 -0.243 1
1 1084 . 17 1 1 A 82 82 ALA HA H 82 4.106 4.282 -0.176 1
1 1088 . 17 1 1 A 82 82 ALA C C 82 180.223 179.784 0.439 1
1 1089 . 17 1 1 A 82 82 ALA CA C 82 55.194 55.341 -0.147 1
1 1090 . 17 1 1 A 82 82 ALA CB C 82 17.947 18.627 -0.680 1
1 1091 . 17 1 1 A 82 82 ALA N N 82 124.747 122.448 2.299 1
1 1092 . 17 1 1 A 83 83 ILE H H 83 8.327 8.728 -0.401 1
1 1093 . 17 1 1 A 83 83 ILE HA H 83 4.235 3.988 0.247 1
1 1103 . 17 1 1 A 83 83 ILE C C 83 180.768 177.743 3.025 1
1 1104 . 17 1 1 A 83 83 ILE CA C 83 63.966 63.772 0.194 1
1 1105 . 17 1 1 A 83 83 ILE CB C 83 38.254 37.825 0.429 1
1 1109 . 17 1 1 A 83 83 ILE N N 83 120.907 118.555 2.352 1
1 1110 . 17 1 1 A 84 84 HIS H H 84 7.934 8.194 -0.260 1
1 1111 . 17 1 1 A 84 84 HIS HA H 84 4.434 4.165 0.269 1
1 1116 . 17 1 1 A 84 84 HIS C C 84 178.250 176.319 1.931 1
1 1117 . 17 1 1 A 84 84 HIS CA C 84 59.042 59.602 -0.560 1
1 1118 . 17 1 1 A 84 84 HIS CB C 84 28.750 30.043 -1.293 1
1 1121 . 17 1 1 A 84 84 HIS N N 84 121.346 121.342 0.004 1
1 1124 . 17 1 1 A 85 85 GLU H H 85 8.074 7.960 0.114 1
1 1125 . 17 1 1 A 85 85 GLU HA H 85 4.192 4.361 -0.169 1
1 1130 . 17 1 1 A 85 85 GLU C C 85 176.510 176.921 -0.411 1
1 1131 . 17 1 1 A 85 85 GLU CA C 85 56.512 56.308 0.204 1
1 1132 . 17 1 1 A 85 85 GLU CB C 85 30.284 30.561 -0.277 1
1 1134 . 17 1 1 A 85 85 GLU N N 85 115.467 116.070 -0.603 1
1 1135 . 17 1 1 A 86 86 GLY H H 86 7.715 7.836 -0.121 1
1 1136 . 17 1 1 A 86 86 GLY HA2 H 86 3.844 3.964 -0.120 1
1 1137 . 17 1 1 A 86 86 GLY HA3 H 86 4.136 3.989 0.147 1
1 1138 . 17 1 1 A 86 86 GLY C C 86 175.243 174.576 0.667 1
1 1139 . 17 1 1 A 86 86 GLY CA C 86 45.108 46.050 -0.942 1
1 1140 . 17 1 1 A 86 86 GLY N N 86 105.999 108.483 -2.484 1
1 1141 . 17 1 1 A 87 87 TYR H H 87 8.173 8.632 -0.459 1
1 1142 . 17 1 1 A 87 87 TYR HA H 87 4.396 4.294 0.102 1
1 1149 . 17 1 1 A 87 87 TYR CA C 87 59.317 60.728 -1.411 1
1 1150 . 17 1 1 A 87 87 TYR CB C 87 39.558 40.073 -0.515 1
1 1153 . 17 1 1 A 87 87 TYR N N 87 118.412 121.371 -2.959 1
1 1154 . 17 1 1 A 88 88 VAL HA H 88 4.583 4.472 0.111 1
1 1162 . 17 1 1 A 88 88 VAL CB C 88 36.112 33.261 2.851 1
1 1165 . 17 1 1 A 89 89 ILE HA H 89 4.426 4.006 0.420 1
1 1175 . 17 1 1 A 89 89 ILE CA C 89 61.984 64.084 -2.100 1
1 1176 . 17 1 1 A 89 89 ILE CB C 89 39.850 38.376 1.474 1
1 1180 . 17 1 1 A 90 90 LYS H H 90 7.387 7.955 -0.568 1
1 1181 . 17 1 1 A 90 90 LYS HA H 90 4.508 4.447 0.061 1
1 1190 . 17 1 1 A 90 90 LYS C C 90 174.665 175.494 -0.829 1
1 1191 . 17 1 1 A 90 90 LYS CA C 90 54.111 54.714 -0.603 1
1 1192 . 17 1 1 A 90 90 LYS CB C 90 35.086 34.107 0.979 1
1 1196 . 17 1 1 A 91 91 ASN H H 91 8.803 8.714 0.089 1
1 1197 . 17 1 1 A 91 91 ASN HA H 91 4.279 4.335 -0.056 1
1 1202 . 17 1 1 A 91 91 ASN CB C 91 38.879 37.809 1.070 1
1 1203 . 17 1 1 A 91 91 ASN N N 91 120.903 123.656 -2.753 1
1 1205 . 17 1 1 A 92 92 PRO HA H 92 4.206 4.308 -0.102 1
1 1212 . 17 1 1 A 92 92 PRO C C 92 174.751 176.783 -2.032 1
1 1213 . 17 1 1 A 92 92 PRO CA C 92 63.927 63.524 0.403 1
1 1214 . 17 1 1 A 92 92 PRO CB C 92 30.969 31.539 -0.570 1
1 1217 . 17 1 1 A 93 93 THR H H 93 7.441 7.575 -0.134 1
1 1218 . 17 1 1 A 93 93 THR HA H 93 4.093 4.484 -0.391 1
1 1224 . 17 1 1 A 93 93 THR C C 93 175.922 174.738 1.184 1
1 1225 . 17 1 1 A 93 93 THR CA C 93 62.221 62.694 -0.473 1
1 1226 . 17 1 1 A 93 93 THR CB C 93 69.463 69.243 0.220 1
1 1228 . 17 1 1 A 93 93 THR N N 93 105.991 109.267 -3.276 1
1 1229 . 17 1 1 A 94 94 TYR H H 94 7.139 7.483 -0.344 1
1 1230 . 17 1 1 A 94 94 TYR HA H 94 4.393 4.337 0.056 1
1 1237 . 17 1 1 A 94 94 TYR C C 94 176.180 176.671 -0.491 1
1 1238 . 17 1 1 A 94 94 TYR CA C 94 58.272 60.072 -1.800 1
1 1239 . 17 1 1 A 94 94 TYR CB C 94 37.490 38.427 -0.937 1
1 1242 . 17 1 1 A 94 94 TYR N N 94 124.098 124.227 -0.129 1
1 1243 . 17 1 1 A 95 95 LYS H H 95 8.904 8.371 0.533 1
1 1244 . 17 1 1 A 95 95 LYS HA H 95 3.758 3.839 -0.081 1
1 1253 . 17 1 1 A 95 95 LYS C C 95 175.547 175.392 0.155 1
1 1254 . 17 1 1 A 95 95 LYS CA C 95 57.078 57.467 -0.389 1
1 1255 . 17 1 1 A 95 95 LYS CB C 95 29.962 32.070 -2.108 1
1 1259 . 17 1 1 A 95 95 LYS N N 95 121.317 126.217 -4.900 1
1 1260 . 17 1 1 A 96 96 ALA H H 96 7.583 7.813 -0.230 1
1 1261 . 17 1 1 A 96 96 ALA HA H 96 4.157 4.399 -0.242 1
1 1265 . 17 1 1 A 96 96 ALA C C 96 177.630 176.598 1.032 1
1 1266 . 17 1 1 A 96 96 ALA CA C 96 53.298 52.567 0.731 1
1 1267 . 17 1 1 A 96 96 ALA CB C 96 18.807 19.785 -0.978 1
1 1268 . 17 1 1 A 96 96 ALA N N 96 121.832 123.887 -2.055 1
1 1269 . 17 1 1 A 97 97 GLU H H 97 9.243 8.897 0.346 1
1 1270 . 17 1 1 A 97 97 GLU HA H 97 4.347 4.967 -0.620 1
1 1275 . 17 1 1 A 97 97 GLU C C 97 175.890 175.366 0.524 1
1 1276 . 17 1 1 A 97 97 GLU CA C 97 55.198 54.685 0.513 1
1 1277 . 17 1 1 A 97 97 GLU CB C 97 30.931 33.918 -2.987 1
1 1279 . 17 1 1 A 97 97 GLU N N 97 121.989 121.457 0.532 1
1 1280 . 17 1 1 A 98 98 LEU H H 98 8.401 8.317 0.084 1
1 1281 . 17 1 1 A 98 98 LEU HA H 98 4.277 5.086 -0.809 1
1 1291 . 17 1 1 A 98 98 LEU C C 98 175.738 176.019 -0.281 1
1 1292 . 17 1 1 A 98 98 LEU CA C 98 54.337 53.817 0.520 1
1 1293 . 17 1 1 A 98 98 LEU CB C 98 41.634 43.366 -1.732 1
1 1297 . 17 1 1 A 98 98 LEU N N 98 123.414 122.268 1.146 1
1 1298 . 17 1 1 A 99 99 HIS H H 99 8.749 8.890 -0.141 1
1 1299 . 17 1 1 A 99 99 HIS HA H 99 4.706 4.849 -0.143 1
1 1304 . 17 1 1 A 99 99 HIS C C 99 173.912 173.546 0.366 1
1 1305 . 17 1 1 A 99 99 HIS CA C 99 55.183 56.045 -0.862 1
1 1306 . 17 1 1 A 99 99 HIS CB C 99 29.916 31.392 -1.476 1
1 1309 . 17 1 1 A 99 99 HIS N N 99 121.129 123.472 -2.343 1
1 1312 . 17 1 1 A 100 100 ALA H H 100 8.369 8.939 -0.570 1
1 1313 . 17 1 1 A 100 100 ALA HA H 100 4.518 4.585 -0.067 1
1 1317 . 17 1 1 A 100 100 ALA C C 100 177.533 178.528 -0.995 1
1 1318 . 17 1 1 A 100 100 ALA CA C 100 51.753 51.666 0.087 1
1 1319 . 17 1 1 A 100 100 ALA CB C 100 20.081 19.134 0.947 1
1 1320 . 17 1 1 A 100 100 ALA N N 100 125.646 131.643 -5.997 1
1 1321 . 17 1 1 A 101 101 SER H H 101 8.357 9.071 -0.714 1
1 1322 . 17 1 1 A 101 101 SER HA H 101 4.452 4.681 -0.229 1
1 1325 . 17 1 1 A 101 101 SER C C 101 174.729 175.311 -0.582 1
1 1326 . 17 1 1 A 101 101 SER CA C 101 58.781 58.748 0.033 1
1 1327 . 17 1 1 A 101 101 SER CB C 101 63.865 63.243 0.622 1
1 1328 . 17 1 1 A 101 101 SER N N 101 115.505 120.765 -5.260 1
1 1329 . 17 1 1 A 102 102 VAL H H 102 7.884 7.639 0.245 1
1 1330 . 17 1 1 A 102 102 VAL HA H 102 4.111 4.095 0.016 1
1 1338 . 17 1 1 A 102 102 VAL C C 102 175.837 176.086 -0.249 1
1 1339 . 17 1 1 A 102 102 VAL CA C 102 62.237 65.033 -2.796 1
1 1340 . 17 1 1 A 102 102 VAL CB C 102 32.336 31.968 0.368 1
1 1343 . 17 1 1 A 102 102 VAL N N 102 120.880 119.209 1.671 1
1 1344 . 17 1 1 A 103 103 LEU H H 103 8.170 7.005 1.165 1
1 1345 . 17 1 1 A 103 103 LEU HA H 103 4.299 4.443 -0.144 1
1 1355 . 17 1 1 A 103 103 LEU C C 103 177.129 175.916 1.213 1
1 1356 . 17 1 1 A 103 103 LEU CA C 103 54.999 54.492 0.507 1
1 1357 . 17 1 1 A 103 103 LEU CB C 103 42.276 40.911 1.365 1
1 1361 . 17 1 1 A 103 103 LEU N N 103 124.757 122.129 2.628 1
1 1362 . 17 1 1 A 104 104 GLU H H 104 8.244 9.016 -0.772 1
1 1363 . 17 1 1 A 104 104 GLU HA H 104 4.175 5.066 -0.891 1
1 1368 . 17 1 1 A 104 104 GLU C C 104 176.153 176.730 -0.577 1
1 1369 . 17 1 1 A 104 104 GLU CA C 104 56.413 54.847 1.566 1
1 1370 . 17 1 1 A 104 104 GLU CB C 104 30.270 31.749 -1.479 1
1 1372 . 17 1 1 A 104 104 GLU N N 104 121.146 125.947 -4.801 1
1 1373 . 17 1 1 A 105 105 HIS H H 105 8.242 8.587 -0.345 1
1 1376 . 17 1 1 A 105 105 HIS C C 105 174.967 174.749 0.218 1
1 1377 . 17 1 1 A 105 105 HIS CA C 105 56.137 57.240 -1.103 1
1 1378 . 17 1 1 A 105 105 HIS CB C 105 30.290 30.061 0.229 1
1 13 . 18 1 1 A 2 2 ILE HA H 2 4.615 4.454 0.161 1
1 23 . 18 1 1 A 2 2 ILE C C 2 175.630 175.534 0.096 1
1 24 . 18 1 1 A 2 2 ILE CA C 2 60.619 61.384 -0.765 1
1 25 . 18 1 1 A 2 2 ILE CB C 2 40.542 39.273 1.269 1
1 29 . 18 1 1 A 3 3 THR H H 3 9.133 8.540 0.593 1
1 30 . 18 1 1 A 3 3 THR HA H 3 4.656 4.826 -0.170 1
1 36 . 18 1 1 A 3 3 THR C C 3 174.729 175.635 -0.906 1
1 37 . 18 1 1 A 3 3 THR CA C 3 61.509 60.989 0.520 1
1 38 . 18 1 1 A 3 3 THR CB C 3 69.896 70.156 -0.260 1
1 40 . 18 1 1 A 3 3 THR N N 3 119.091 117.294 1.797 1
1 41 . 18 1 1 A 4 4 PHE H H 4 8.642 9.500 -0.858 1
1 42 . 18 1 1 A 4 4 PHE HA H 4 4.576 4.041 0.535 1
1 50 . 18 1 1 A 4 4 PHE C C 4 176.302 177.318 -1.016 1
1 51 . 18 1 1 A 4 4 PHE CA C 4 58.368 62.798 -4.430 1
1 52 . 18 1 1 A 4 4 PHE CB C 4 37.526 39.547 -2.021 1
1 56 . 18 1 1 A 4 4 PHE N N 4 122.510 122.918 -0.408 1
1 57 . 18 1 1 A 5 5 ALA H H 5 9.195 8.341 0.854 1
1 58 . 18 1 1 A 5 5 ALA HA H 5 3.692 4.025 -0.333 1
1 62 . 18 1 1 A 5 5 ALA C C 5 178.210 179.631 -1.421 1
1 63 . 18 1 1 A 5 5 ALA CA C 5 56.073 55.296 0.777 1
1 64 . 18 1 1 A 5 5 ALA CB C 5 17.897 18.335 -0.438 1
1 65 . 18 1 1 A 5 5 ALA N N 5 120.106 121.803 -1.697 1
1 66 . 18 1 1 A 6 6 ASP H H 6 7.978 8.398 -0.420 1
1 67 . 18 1 1 A 6 6 ASP HA H 6 4.615 4.597 0.018 1
1 70 . 18 1 1 A 6 6 ASP C C 6 179.370 178.280 1.090 1
1 71 . 18 1 1 A 6 6 ASP CA C 6 57.369 57.285 0.084 1
1 72 . 18 1 1 A 6 6 ASP CB C 6 39.556 40.928 -1.372 1
1 73 . 18 1 1 A 6 6 ASP N N 6 115.486 118.655 -3.169 1
1 74 . 18 1 1 A 7 7 TYR H H 7 8.776 8.327 0.449 1
1 75 . 18 1 1 A 7 7 TYR HA H 7 3.984 4.352 -0.368 1
1 82 . 18 1 1 A 7 7 TYR C C 7 176.232 177.431 -1.199 1
1 83 . 18 1 1 A 7 7 TYR CA C 7 62.241 61.605 0.636 1
1 84 . 18 1 1 A 7 7 TYR CB C 7 38.521 38.587 -0.066 1
1 87 . 18 1 1 A 7 7 TYR N N 7 120.885 120.867 0.018 1
1 88 . 18 1 1 A 8 8 PHE H H 8 9.024 8.532 0.492 1
1 89 . 18 1 1 A 8 8 PHE HA H 8 3.732 4.197 -0.465 1
1 97 . 18 1 1 A 8 8 PHE C C 8 176.261 176.973 -0.712 1
1 98 . 18 1 1 A 8 8 PHE CA C 8 62.936 62.024 0.912 1
1 99 . 18 1 1 A 8 8 PHE CB C 8 39.553 38.818 0.735 1
1 103 . 18 1 1 A 8 8 PHE N N 8 118.754 120.680 -1.926 1
1 104 . 18 1 1 A 9 9 TYR H H 9 8.202 8.171 0.031 1
1 105 . 18 1 1 A 9 9 TYR HA H 9 3.742 4.005 -0.263 1
1 112 . 18 1 1 A 9 9 TYR C C 9 176.496 176.935 -0.439 1
1 113 . 18 1 1 A 9 9 TYR CA C 9 62.939 61.333 1.606 1
1 114 . 18 1 1 A 9 9 TYR CB C 9 37.941 38.557 -0.616 1
1 117 . 18 1 1 A 9 9 TYR N N 9 117.271 120.573 -3.302 1
1 118 . 18 1 1 A 10 10 GLN H H 10 8.029 8.298 -0.269 1
1 119 . 18 1 1 A 10 10 GLN HA H 10 3.928 3.844 0.084 1
1 126 . 18 1 1 A 10 10 GLN C C 10 177.393 177.818 -0.425 1
1 127 . 18 1 1 A 10 10 GLN CA C 10 58.717 58.312 0.405 1
1 128 . 18 1 1 A 10 10 GLN CB C 10 28.482 28.447 0.035 1
1 130 . 18 1 1 A 10 10 GLN N N 10 117.935 117.814 0.121 1
1 132 . 18 1 1 A 11 11 TRP H H 11 8.772 8.265 0.507 1
1 133 . 18 1 1 A 11 11 TRP HA H 11 3.690 4.125 -0.435 1
1 142 . 18 1 1 A 11 11 TRP C C 11 178.487 177.391 1.096 1
1 143 . 18 1 1 A 11 11 TRP CA C 11 61.256 60.622 0.634 1
1 144 . 18 1 1 A 11 11 TRP CB C 11 27.472 29.114 -1.642 1
1 150 . 18 1 1 A 11 11 TRP N N 11 121.577 121.856 -0.279 1
1 152 . 18 1 1 A 12 12 TYR H H 12 8.168 7.744 0.424 1
1 153 . 18 1 1 A 12 12 TYR HA H 12 2.938 3.405 -0.467 1
1 160 . 18 1 1 A 12 12 TYR C C 12 177.277 177.016 0.261 1
1 161 . 18 1 1 A 12 12 TYR CA C 12 59.178 60.752 -1.574 1
1 162 . 18 1 1 A 12 12 TYR CB C 12 36.729 38.103 -1.374 1
1 165 . 18 1 1 A 12 12 TYR N N 12 121.811 120.257 1.554 1
1 166 . 18 1 1 A 13 13 GLU H H 13 8.434 8.115 0.319 1
1 167 . 18 1 1 A 13 13 GLU HA H 13 2.996 3.306 -0.310 1
1 172 . 18 1 1 A 13 13 GLU C C 13 177.157 178.286 -1.129 1
1 173 . 18 1 1 A 13 13 GLU CA C 13 59.164 58.670 0.494 1
1 174 . 18 1 1 A 13 13 GLU CB C 13 29.447 28.770 0.677 1
1 176 . 18 1 1 A 13 13 GLU N N 13 123.599 119.102 4.497 1
1 177 . 18 1 1 A 14 14 VAL H H 14 7.605 7.504 0.101 1
1 178 . 18 1 1 A 14 14 VAL HA H 14 3.562 3.609 -0.047 1
1 186 . 18 1 1 A 14 14 VAL C C 14 177.289 176.012 1.277 1
1 187 . 18 1 1 A 14 14 VAL CA C 14 64.338 65.045 -0.707 1
1 188 . 18 1 1 A 14 14 VAL CB C 14 32.669 31.323 1.346 1
1 191 . 18 1 1 A 14 14 VAL N N 14 113.566 119.679 -6.113 1
1 192 . 18 1 1 A 15 15 ASN H H 15 7.482 7.263 0.219 1
1 193 . 18 1 1 A 15 15 ASN HA H 15 4.429 4.681 -0.252 1
1 198 . 18 1 1 A 15 15 ASN C C 15 175.201 176.616 -1.415 1
1 199 . 18 1 1 A 15 15 ASN CA C 15 55.218 53.839 1.379 1
1 200 . 18 1 1 A 15 15 ASN CB C 15 39.927 39.493 0.434 1
1 201 . 18 1 1 A 15 15 ASN N N 15 112.195 117.629 -5.434 1
1 203 . 18 1 1 A 16 16 LYS H H 16 7.413 7.680 -0.267 1
1 204 . 18 1 1 A 16 16 LYS HA H 16 4.338 4.050 0.288 1
1 213 . 18 1 1 A 16 16 LYS C C 16 175.309 178.450 -3.141 1
1 214 . 18 1 1 A 16 16 LYS CA C 16 54.807 57.665 -2.858 1
1 215 . 18 1 1 A 16 16 LYS CB C 16 32.665 32.343 0.322 1
1 219 . 18 1 1 A 16 16 LYS N N 16 115.814 117.662 -1.848 1
1 220 . 18 1 1 A 17 17 LEU H H 17 7.490 7.376 0.114 1
1 221 . 18 1 1 A 17 17 LEU HA H 17 3.603 3.526 0.077 1
1 231 . 18 1 1 A 17 17 LEU C C 17 173.754 174.938 -1.184 1
1 232 . 18 1 1 A 17 17 LEU CA C 17 59.847 59.410 0.437 1
1 233 . 18 1 1 A 17 17 LEU CB C 17 39.552 39.557 -0.005 1
1 237 . 18 1 1 A 17 17 LEU N N 17 121.586 121.312 0.274 1
1 238 . 18 1 1 A 18 18 PRO HA H 18 4.107 4.208 -0.101 1
1 245 . 18 1 1 A 18 18 PRO C C 18 176.412 176.985 -0.573 1
1 246 . 18 1 1 A 18 18 PRO CA C 18 64.656 64.769 -0.113 1
1 247 . 18 1 1 A 18 18 PRO CB C 18 30.980 31.105 -0.125 1
1 250 . 18 1 1 A 19 19 HIS H H 19 7.631 7.562 0.069 1
1 251 . 18 1 1 A 19 19 HIS HA H 19 4.857 4.610 0.247 1
1 256 . 18 1 1 A 19 19 HIS C C 19 175.822 175.284 0.538 1
1 257 . 18 1 1 A 19 19 HIS CA C 19 55.004 56.167 -1.163 1
1 258 . 18 1 1 A 19 19 HIS CB C 19 32.358 31.055 1.303 1
1 260 . 18 1 1 A 19 19 HIS N N 19 111.190 115.114 -3.924 1
1 263 . 18 1 1 A 20 20 VAL H H 20 7.124 7.106 0.018 1
1 264 . 18 1 1 A 20 20 VAL HA H 20 4.728 4.788 -0.060 1
1 272 . 18 1 1 A 20 20 VAL C C 20 175.497 174.908 0.589 1
1 273 . 18 1 1 A 20 20 VAL CA C 20 60.134 59.294 0.840 1
1 274 . 18 1 1 A 20 20 VAL CB C 20 34.199 35.381 -1.182 1
1 277 . 18 1 1 A 20 20 VAL N N 20 112.191 114.026 -1.835 1
1 278 . 18 1 1 A 21 21 SER H H 21 8.589 8.756 -0.167 1
1 279 . 18 1 1 A 21 21 SER HA H 21 4.531 4.748 -0.217 1
1 282 . 18 1 1 A 21 21 SER C C 21 174.840 175.027 -0.187 1
1 283 . 18 1 1 A 21 21 SER CA C 21 57.236 57.173 0.063 1
1 284 . 18 1 1 A 21 21 SER CB C 21 65.251 66.254 -1.003 1
1 285 . 18 1 1 A 21 21 SER N N 21 116.825 117.126 -0.301 1
1 286 . 18 1 1 A 22 22 GLU H H 22 8.964 9.025 -0.061 1
1 287 . 18 1 1 A 22 22 GLU HA H 22 3.922 4.130 -0.208 1
1 292 . 18 1 1 A 22 22 GLU C C 22 178.606 178.746 -0.140 1
1 293 . 18 1 1 A 22 22 GLU CA C 22 59.837 59.985 -0.148 1
1 294 . 18 1 1 A 22 22 GLU CB C 22 29.239 29.163 0.076 1
1 296 . 18 1 1 A 22 22 GLU N N 22 120.863 123.738 -2.875 1
1 297 . 18 1 1 A 23 23 SER H H 23 8.426 8.015 0.411 1
1 298 . 18 1 1 A 23 23 SER HA H 23 4.151 4.186 -0.035 1
1 301 . 18 1 1 A 23 23 SER C C 23 176.977 176.468 0.509 1
1 302 . 18 1 1 A 23 23 SER CA C 23 61.220 62.568 -1.348 1
1 303 . 18 1 1 A 23 23 SER CB C 23 62.252 63.351 -1.099 1
1 304 . 18 1 1 A 23 23 SER N N 23 112.196 117.021 -4.825 1
1 305 . 18 1 1 A 24 24 THR H H 24 7.749 7.870 -0.121 1
1 306 . 18 1 1 A 24 24 THR HA H 24 4.163 4.351 -0.188 1
1 311 . 18 1 1 A 24 24 THR C C 24 176.523 177.296 -0.773 1
1 312 . 18 1 1 A 24 24 THR CA C 24 66.045 66.080 -0.035 1
1 313 . 18 1 1 A 24 24 THR CB C 24 68.305 68.754 -0.449 1
1 315 . 18 1 1 A 24 24 THR N N 24 120.348 117.769 2.579 1
1 316 . 18 1 1 A 25 25 LYS H H 25 8.605 8.219 0.386 1
1 317 . 18 1 1 A 25 25 LYS HA H 25 4.064 4.267 -0.203 1
1 326 . 18 1 1 A 25 25 LYS C C 25 178.447 180.032 -1.585 1
1 327 . 18 1 1 A 25 25 LYS CA C 25 61.087 60.220 0.867 1
1 328 . 18 1 1 A 25 25 LYS CB C 25 32.717 32.329 0.388 1
1 332 . 18 1 1 A 25 25 LYS N N 25 123.593 120.473 3.120 1
1 333 . 18 1 1 A 26 26 ARG H H 26 7.485 8.217 -0.732 1
1 334 . 18 1 1 A 26 26 ARG HA H 26 4.146 4.071 0.075 1
1 341 . 18 1 1 A 26 26 ARG C C 26 179.845 179.306 0.539 1
1 342 . 18 1 1 A 26 26 ARG CA C 26 58.916 59.840 -0.924 1
1 343 . 18 1 1 A 26 26 ARG CB C 26 30.384 29.752 0.632 1
1 346 . 18 1 1 A 26 26 ARG N N 26 114.116 119.575 -5.459 1
1 347 . 18 1 1 A 27 27 HIS H H 27 7.677 8.106 -0.429 1
1 348 . 18 1 1 A 27 27 HIS HA H 27 4.757 4.448 0.309 1
1 353 . 18 1 1 A 27 27 HIS C C 27 179.743 177.383 2.360 1
1 354 . 18 1 1 A 27 27 HIS CA C 27 58.659 59.295 -0.636 1
1 355 . 18 1 1 A 27 27 HIS CB C 27 30.967 30.050 0.917 1
1 358 . 18 1 1 A 27 27 HIS N N 27 119.389 119.054 0.335 1
1 361 . 18 1 1 A 28 28 TYR H H 28 8.119 8.106 0.013 1
1 362 . 18 1 1 A 28 28 TYR HA H 28 4.009 4.151 -0.142 1
1 369 . 18 1 1 A 28 28 TYR C C 28 178.685 178.563 0.122 1
1 370 . 18 1 1 A 28 28 TYR CA C 28 63.311 61.867 1.444 1
1 371 . 18 1 1 A 28 28 TYR CB C 28 38.879 37.319 1.560 1
1 374 . 18 1 1 A 28 28 TYR N N 28 121.786 117.346 4.440 1
1 375 . 18 1 1 A 29 29 GLU H H 29 8.631 8.997 -0.366 1
1 376 . 18 1 1 A 29 29 GLU HA H 29 4.067 4.253 -0.186 1
1 381 . 18 1 1 A 29 29 GLU C C 29 179.950 178.705 1.245 1
1 382 . 18 1 1 A 29 29 GLU CA C 29 59.827 60.079 -0.252 1
1 383 . 18 1 1 A 29 29 GLU CB C 29 29.172 29.592 -0.420 1
1 385 . 18 1 1 A 29 29 GLU N N 29 119.090 119.847 -0.757 1
1 386 . 18 1 1 A 30 30 SER H H 30 8.307 8.443 -0.136 1
1 387 . 18 1 1 A 30 30 SER HA H 30 4.467 4.411 0.056 1
1 390 . 18 1 1 A 30 30 SER C C 30 177.445 177.437 0.008 1
1 391 . 18 1 1 A 30 30 SER CA C 30 61.068 61.604 -0.536 1
1 392 . 18 1 1 A 30 30 SER CB C 30 63.054 62.592 0.462 1
1 393 . 18 1 1 A 30 30 SER N N 30 115.027 114.721 0.306 1
1 394 . 18 1 1 A 31 31 ALA H H 31 8.319 8.018 0.301 1
1 395 . 18 1 1 A 31 31 ALA HA H 31 4.070 4.166 -0.096 1
1 399 . 18 1 1 A 31 31 ALA C C 31 178.488 179.134 -0.646 1
1 400 . 18 1 1 A 31 31 ALA CA C 31 55.926 54.985 0.941 1
1 401 . 18 1 1 A 31 31 ALA CB C 31 18.510 18.237 0.273 1
1 402 . 18 1 1 A 31 31 ALA N N 31 124.966 124.273 0.693 1
1 403 . 18 1 1 A 32 32 TYR H H 32 8.537 8.968 -0.431 1
1 404 . 18 1 1 A 32 32 TYR HA H 32 4.114 3.990 0.124 1
1 411 . 18 1 1 A 32 32 TYR C C 32 175.705 177.493 -1.788 1
1 412 . 18 1 1 A 32 32 TYR CA C 32 60.480 62.017 -1.537 1
1 413 . 18 1 1 A 32 32 TYR CB C 32 37.864 39.025 -1.161 1
1 416 . 18 1 1 A 32 32 TYR N N 32 116.814 120.090 -3.276 1
1 417 . 18 1 1 A 33 33 LYS H H 33 7.988 8.553 -0.565 1
1 418 . 18 1 1 A 33 33 LYS HA H 33 3.513 3.751 -0.238 1
1 427 . 18 1 1 A 33 33 LYS C C 33 178.474 179.225 -0.751 1
1 428 . 18 1 1 A 33 33 LYS CA C 33 59.810 59.364 0.446 1
1 429 . 18 1 1 A 33 33 LYS CB C 33 32.000 32.095 -0.095 1
1 433 . 18 1 1 A 33 33 LYS N N 33 119.358 119.384 -0.026 1
1 434 . 18 1 1 A 34 34 HIS H H 34 8.187 8.215 -0.028 1
1 435 . 18 1 1 A 34 34 HIS HA H 34 4.449 4.598 -0.149 1
1 440 . 18 1 1 A 34 34 HIS C C 34 178.948 178.040 0.908 1
1 441 . 18 1 1 A 34 34 HIS CA C 34 60.883 60.016 0.867 1
1 442 . 18 1 1 A 34 34 HIS CB C 34 28.843 30.145 -1.302 1
1 445 . 18 1 1 A 34 34 HIS N N 34 116.156 118.393 -2.237 1
1 448 . 18 1 1 A 35 35 ILE H H 35 8.676 8.513 0.163 1
1 449 . 18 1 1 A 35 35 ILE HA H 35 3.513 3.462 0.051 1
1 459 . 18 1 1 A 35 35 ILE C C 35 177.630 178.284 -0.654 1
1 460 . 18 1 1 A 35 35 ILE CA C 35 65.690 65.338 0.352 1
1 461 . 18 1 1 A 35 35 ILE CB C 35 38.481 37.490 0.991 1
1 465 . 18 1 1 A 35 35 ILE N N 35 121.824 120.370 1.454 1
1 466 . 18 1 1 A 36 36 LYS H H 36 8.797 8.447 0.350 1
1 467 . 18 1 1 A 36 36 LYS HA H 36 3.712 4.123 -0.411 1
1 476 . 18 1 1 A 36 36 LYS C C 36 179.397 177.882 1.515 1
1 477 . 18 1 1 A 36 36 LYS CA C 36 59.860 58.929 0.931 1
1 478 . 18 1 1 A 36 36 LYS CB C 36 31.878 31.848 0.030 1
1 482 . 18 1 1 A 36 36 LYS N N 36 121.589 120.558 1.031 1
1 483 . 18 1 1 A 37 37 ASP H H 37 8.246 8.183 0.063 1
1 484 . 18 1 1 A 37 37 ASP HA H 37 4.336 4.375 -0.039 1
1 487 . 18 1 1 A 37 37 ASP C C 37 177.234 177.977 -0.743 1
1 488 . 18 1 1 A 37 37 ASP CA C 37 56.932 57.166 -0.234 1
1 489 . 18 1 1 A 37 37 ASP CB C 37 40.576 41.071 -0.495 1
1 490 . 18 1 1 A 37 37 ASP N N 37 118.225 119.709 -1.484 1
1 491 . 18 1 1 A 38 38 HIS H H 38 7.867 7.792 0.075 1
1 492 . 18 1 1 A 38 38 HIS HA H 38 4.284 4.324 -0.040 1
1 496 . 18 1 1 A 38 38 HIS C C 38 176.839 174.892 1.947 1
1 497 . 18 1 1 A 38 38 HIS CA C 38 59.389 58.409 0.980 1
1 498 . 18 1 1 A 38 38 HIS CB C 38 31.630 31.068 0.562 1
1 500 . 18 1 1 A 38 38 HIS N N 38 115.487 115.394 0.093 1
1 501 . 18 1 1 A 39 39 PHE H H 39 9.082 8.900 0.182 1
1 502 . 18 1 1 A 39 39 PHE HA H 39 4.369 4.971 -0.602 1
1 510 . 18 1 1 A 39 39 PHE C C 39 175.890 175.828 0.062 1
1 511 . 18 1 1 A 39 39 PHE CA C 39 60.159 56.197 3.962 1
1 512 . 18 1 1 A 39 39 PHE CB C 39 38.850 39.224 -0.374 1
1 516 . 18 1 1 A 39 39 PHE N N 39 114.327 116.270 -1.943 1
1 517 . 18 1 1 A 40 40 ARG H H 40 8.104 8.714 -0.610 1
1 518 . 18 1 1 A 40 40 ARG HA H 40 3.921 4.512 -0.591 1
1 525 . 18 1 1 A 40 40 ARG C C 40 176.892 177.583 -0.691 1
1 526 . 18 1 1 A 40 40 ARG CA C 40 58.009 58.368 -0.359 1
1 527 . 18 1 1 A 40 40 ARG CB C 40 27.531 30.942 -3.411 1
1 530 . 18 1 1 A 40 40 ARG N N 40 118.379 125.583 -7.204 1
1 531 . 18 1 1 A 41 41 HIS H H 41 8.589 8.119 0.470 1
1 532 . 18 1 1 A 41 41 HIS HA H 41 4.910 4.828 0.082 1
1 536 . 18 1 1 A 41 41 HIS C C 41 174.835 174.604 0.231 1
1 537 . 18 1 1 A 41 41 HIS CA C 41 55.473 55.661 -0.188 1
1 538 . 18 1 1 A 41 41 HIS CB C 41 29.720 30.854 -1.134 1
1 540 . 18 1 1 A 41 41 HIS N N 41 123.828 113.855 9.973 1
1 541 . 18 1 1 A 42 42 LYS H H 42 8.326 7.785 0.541 1
1 542 . 18 1 1 A 42 42 LYS HA H 42 4.181 4.256 -0.075 1
1 551 . 18 1 1 A 42 42 LYS C C 42 177.973 176.748 1.225 1
1 552 . 18 1 1 A 42 42 LYS CA C 42 58.201 56.806 1.395 1
1 553 . 18 1 1 A 42 42 LYS CB C 42 33.047 33.150 -0.103 1
1 557 . 18 1 1 A 42 42 LYS N N 42 121.129 122.582 -1.453 1
1 558 . 18 1 1 A 43 43 LEU H H 43 9.243 8.512 0.731 1
1 559 . 18 1 1 A 43 43 LEU HA H 43 4.346 4.255 0.091 1
1 569 . 18 1 1 A 43 43 LEU C C 43 177.840 177.854 -0.014 1
1 570 . 18 1 1 A 43 43 LEU CA C 43 55.420 55.286 0.134 1
1 571 . 18 1 1 A 43 43 LEU CB C 43 40.936 41.949 -1.013 1
1 575 . 18 1 1 A 43 43 LEU N N 43 124.529 127.823 -3.294 1
1 576 . 18 1 1 A 44 44 LEU H H 44 8.404 8.908 -0.504 1
1 577 . 18 1 1 A 44 44 LEU HA H 44 3.681 3.933 -0.252 1
1 587 . 18 1 1 A 44 44 LEU C C 44 177.962 178.191 -0.229 1
1 588 . 18 1 1 A 44 44 LEU CA C 44 58.773 58.576 0.197 1
1 589 . 18 1 1 A 44 44 LEU CB C 44 42.661 41.230 1.431 1
1 593 . 18 1 1 A 44 44 LEU N N 44 123.643 126.206 -2.563 1
1 594 . 18 1 1 A 45 45 LYS HA H 45 4.126 4.058 0.068 1
1 603 . 18 1 1 A 45 45 LYS C C 45 175.533 176.922 -1.389 1
1 604 . 18 1 1 A 45 45 LYS CA C 45 57.405 58.327 -0.922 1
1 605 . 18 1 1 A 45 45 LYS CB C 45 31.650 31.648 0.002 1
1 609 . 18 1 1 A 46 46 ASP H H 46 7.520 8.043 -0.523 1
1 610 . 18 1 1 A 46 46 ASP HA H 46 4.888 4.659 0.229 1
1 613 . 18 1 1 A 46 46 ASP C C 46 175.811 176.234 -0.423 1
1 614 . 18 1 1 A 46 46 ASP CA C 46 54.268 53.788 0.480 1
1 615 . 18 1 1 A 46 46 ASP CB C 46 42.178 41.433 0.745 1
1 616 . 18 1 1 A 46 46 ASP N N 46 118.587 119.276 -0.689 1
1 617 . 18 1 1 A 47 47 ILE H H 47 6.965 7.149 -0.184 1
1 618 . 18 1 1 A 47 47 ILE HA H 47 4.048 3.676 0.372 1
1 628 . 18 1 1 A 47 47 ILE C C 47 175.362 175.244 0.118 1
1 629 . 18 1 1 A 47 47 ILE CA C 47 59.826 61.378 -1.552 1
1 630 . 18 1 1 A 47 47 ILE CB C 47 34.389 37.529 -3.140 1
1 634 . 18 1 1 A 47 47 ILE N N 47 119.126 121.906 -2.780 1
1 635 . 18 1 1 A 48 48 LYS H H 48 8.489 9.073 -0.584 1
1 636 . 18 1 1 A 48 48 LYS HA H 48 4.635 4.323 0.312 1
1 645 . 18 1 1 A 48 48 LYS C C 48 177.252 178.223 -0.971 1
1 646 . 18 1 1 A 48 48 LYS CA C 48 54.357 55.929 -1.572 1
1 647 . 18 1 1 A 48 48 LYS CB C 48 34.753 33.223 1.530 1
1 651 . 18 1 1 A 48 48 LYS N N 48 127.892 128.063 -0.171 1
1 652 . 18 1 1 A 49 49 ARG H H 49 8.816 8.802 0.014 1
1 653 . 18 1 1 A 49 49 ARG HA H 49 4.314 4.028 0.286 1
1 660 . 18 1 1 A 49 49 ARG C C 49 178.464 178.376 0.088 1
1 661 . 18 1 1 A 49 49 ARG CA C 49 60.341 59.573 0.768 1
1 662 . 18 1 1 A 49 49 ARG CB C 49 30.197 29.564 0.633 1
1 665 . 18 1 1 A 49 49 ARG N N 49 122.736 123.063 -0.327 1
1 666 . 18 1 1 A 50 50 THR H H 50 8.269 8.008 0.261 1
1 667 . 18 1 1 A 50 50 THR HA H 50 4.079 3.995 0.084 1
1 672 . 18 1 1 A 50 50 THR C C 50 177.316 176.976 0.340 1
1 673 . 18 1 1 A 50 50 THR CA C 50 65.501 66.896 -1.395 1
1 674 . 18 1 1 A 50 50 THR CB C 50 67.951 68.252 -0.301 1
1 676 . 18 1 1 A 50 50 THR N N 50 110.696 118.664 -7.968 1
1 677 . 18 1 1 A 51 51 GLU H H 51 7.260 7.914 -0.654 1
1 678 . 18 1 1 A 51 51 GLU HA H 51 4.239 4.243 -0.004 1
1 683 . 18 1 1 A 51 51 GLU C C 51 179.621 178.999 0.622 1
1 684 . 18 1 1 A 51 51 GLU CA C 51 58.921 59.399 -0.478 1
1 685 . 18 1 1 A 51 51 GLU CB C 51 29.916 29.969 -0.053 1
1 687 . 18 1 1 A 51 51 GLU N N 51 121.344 120.768 0.576 1
1 688 . 18 1 1 A 52 52 TYR H H 52 8.678 8.430 0.248 1
1 689 . 18 1 1 A 52 52 TYR HA H 52 4.376 4.381 -0.005 1
1 697 . 18 1 1 A 52 52 TYR C C 52 176.120 177.709 -1.589 1
1 698 . 18 1 1 A 52 52 TYR CA C 52 62.660 61.857 0.803 1
1 699 . 18 1 1 A 52 52 TYR CB C 52 38.206 38.423 -0.217 1
1 702 . 18 1 1 A 52 52 TYR N N 52 122.483 121.425 1.058 1
1 703 . 18 1 1 A 53 53 GLN H H 53 8.801 8.247 0.554 1
1 704 . 18 1 1 A 53 53 GLN HA H 53 3.721 3.913 -0.192 1
1 711 . 18 1 1 A 53 53 GLN C C 53 177.894 178.435 -0.541 1
1 712 . 18 1 1 A 53 53 GLN CA C 53 58.111 58.950 -0.839 1
1 713 . 18 1 1 A 53 53 GLN CB C 53 28.909 28.501 0.408 1
1 715 . 18 1 1 A 53 53 GLN N N 53 118.817 118.129 0.688 1
1 717 . 18 1 1 A 54 54 LYS H H 54 7.685 7.602 0.083 1
1 718 . 18 1 1 A 54 54 LYS HA H 54 4.051 4.119 -0.068 1
1 727 . 18 1 1 A 54 54 LYS C C 54 178.918 178.785 0.133 1
1 728 . 18 1 1 A 54 54 LYS CA C 54 59.845 58.996 0.849 1
1 729 . 18 1 1 A 54 54 LYS CB C 54 32.339 32.132 0.207 1
1 733 . 18 1 1 A 54 54 LYS N N 54 118.629 118.381 0.248 1
1 734 . 18 1 1 A 55 55 PHE H H 55 7.533 8.235 -0.702 1
1 735 . 18 1 1 A 55 55 PHE HA H 55 3.660 3.902 -0.242 1
1 743 . 18 1 1 A 55 55 PHE C C 55 176.180 176.529 -0.349 1
1 744 . 18 1 1 A 55 55 PHE CA C 55 59.494 61.134 -1.640 1
1 745 . 18 1 1 A 55 55 PHE CB C 55 38.189 39.134 -0.945 1
1 749 . 18 1 1 A 55 55 PHE N N 55 120.449 120.929 -0.480 1
1 750 . 18 1 1 A 56 56 LEU H H 56 8.019 8.018 0.001 1
1 751 . 18 1 1 A 56 56 LEU HA H 56 3.254 3.584 -0.330 1
1 761 . 18 1 1 A 56 56 LEU C C 56 179.581 179.155 0.426 1
1 762 . 18 1 1 A 56 56 LEU CA C 56 57.366 57.494 -0.128 1
1 763 . 18 1 1 A 56 56 LEU CB C 56 41.462 41.050 0.412 1
1 767 . 18 1 1 A 56 56 LEU N N 56 120.223 119.086 1.137 1
1 768 . 18 1 1 A 57 57 ASN H H 57 8.427 8.287 0.140 1
1 769 . 18 1 1 A 57 57 ASN HA H 57 4.324 4.426 -0.102 1
1 774 . 18 1 1 A 57 57 ASN C C 57 178.105 178.412 -0.307 1
1 775 . 18 1 1 A 57 57 ASN CA C 57 55.194 56.608 -1.414 1
1 776 . 18 1 1 A 57 57 ASN CB C 57 36.948 37.849 -0.901 1
1 777 . 18 1 1 A 57 57 ASN N N 57 118.422 118.762 -0.340 1
1 779 . 18 1 1 A 58 58 GLU H H 58 7.873 8.197 -0.324 1
1 780 . 18 1 1 A 58 58 GLU HA H 58 4.063 4.138 -0.075 1
1 785 . 18 1 1 A 58 58 GLU C C 58 179.660 178.690 0.970 1
1 786 . 18 1 1 A 58 58 GLU CA C 58 59.064 58.726 0.338 1
1 787 . 18 1 1 A 58 58 GLU CB C 58 29.592 29.732 -0.140 1
1 789 . 18 1 1 A 58 58 GLU N N 58 121.129 119.145 1.984 1
1 790 . 18 1 1 A 59 59 TYR H H 59 8.638 7.737 0.901 1
1 791 . 18 1 1 A 59 59 TYR HA H 59 3.949 3.980 -0.031 1
1 798 . 18 1 1 A 59 59 TYR C C 59 179.907 178.088 1.819 1
1 799 . 18 1 1 A 59 59 TYR CA C 59 61.870 60.924 0.946 1
1 800 . 18 1 1 A 59 59 TYR CB C 59 38.156 38.032 0.124 1
1 803 . 18 1 1 A 59 59 TYR N N 59 124.461 122.317 2.144 1
1 804 . 18 1 1 A 60 60 GLY H H 60 8.925 8.591 0.334 1
1 805 . 18 1 1 A 60 60 GLY HA2 H 60 3.947 3.969 -0.022 1
1 806 . 18 1 1 A 60 60 GLY HA3 H 60 4.175 3.980 0.195 1
1 807 . 18 1 1 A 60 60 GLY C C 60 173.294 174.709 -1.415 1
1 808 . 18 1 1 A 60 60 GLY CA C 60 46.424 45.745 0.679 1
1 809 . 18 1 1 A 60 60 GLY N N 60 107.578 106.262 1.316 1
1 810 . 18 1 1 A 61 61 LEU H H 61 7.448 7.870 -0.422 1
1 811 . 18 1 1 A 61 61 LEU HA H 61 4.238 4.326 -0.088 1
1 821 . 18 1 1 A 61 61 LEU C C 61 179.159 177.991 1.168 1
1 822 . 18 1 1 A 61 61 LEU CA C 61 57.274 55.757 1.517 1
1 823 . 18 1 1 A 61 61 LEU CB C 61 42.304 42.374 -0.070 1
1 827 . 18 1 1 A 61 61 LEU N N 61 118.202 120.268 -2.066 1
1 828 . 18 1 1 A 62 62 THR H H 62 6.974 7.282 -0.308 1
1 829 . 18 1 1 A 62 62 THR HA H 62 4.385 4.520 -0.135 1
1 834 . 18 1 1 A 62 62 THR C C 62 173.170 173.867 -0.697 1
1 835 . 18 1 1 A 62 62 THR CA C 62 59.813 61.889 -2.076 1
1 836 . 18 1 1 A 62 62 THR CB C 62 69.697 70.461 -0.764 1
1 838 . 18 1 1 A 62 62 THR N N 62 101.223 105.221 -3.998 1
1 839 . 18 1 1 A 63 63 HIS H H 63 7.041 7.979 -0.938 1
1 840 . 18 1 1 A 63 63 HIS HA H 63 4.861 4.938 -0.077 1
1 845 . 18 1 1 A 63 63 HIS C C 63 172.567 175.144 -2.577 1
1 846 . 18 1 1 A 63 63 HIS CA C 63 55.522 54.125 1.397 1
1 847 . 18 1 1 A 63 63 HIS CB C 63 32.328 31.704 0.624 1
1 850 . 18 1 1 A 63 63 HIS N N 63 116.818 119.584 -2.766 1
1 853 . 18 1 1 A 64 64 SER H H 64 8.717 8.667 0.050 1
1 854 . 18 1 1 A 64 64 SER HA H 64 4.582 4.431 0.151 1
1 857 . 18 1 1 A 64 64 SER C C 64 174.545 174.976 -0.431 1
1 858 . 18 1 1 A 64 64 SER CA C 64 57.169 59.066 -1.897 1
1 859 . 18 1 1 A 64 64 SER CB C 64 65.484 64.097 1.387 1
1 860 . 18 1 1 A 64 64 SER N N 64 116.128 117.770 -1.642 1
1 861 . 18 1 1 A 65 65 TYR H H 65 9.054 9.203 -0.149 1
1 862 . 18 1 1 A 65 65 TYR HA H 65 4.059 4.118 -0.059 1
1 869 . 18 1 1 A 65 65 TYR C C 65 176.918 177.884 -0.966 1
1 870 . 18 1 1 A 65 65 TYR CA C 65 61.906 62.651 -0.745 1
1 871 . 18 1 1 A 65 65 TYR CB C 65 38.185 38.847 -0.662 1
1 874 . 18 1 1 A 65 65 TYR N N 65 121.679 124.298 -2.619 1
1 875 . 18 1 1 A 66 66 GLU H H 66 8.965 8.325 0.640 1
1 876 . 18 1 1 A 66 66 GLU HA H 66 3.888 3.869 0.019 1
1 881 . 18 1 1 A 66 66 GLU C C 66 178.764 179.109 -0.345 1
1 882 . 18 1 1 A 66 66 GLU CA C 66 59.329 59.045 0.284 1
1 883 . 18 1 1 A 66 66 GLU CB C 66 28.874 29.223 -0.349 1
1 885 . 18 1 1 A 66 66 GLU N N 66 117.723 119.750 -2.027 1
1 886 . 18 1 1 A 67 67 THR H H 67 7.626 8.071 -0.445 1
1 887 . 18 1 1 A 67 67 THR HA H 67 3.864 4.129 -0.265 1
1 892 . 18 1 1 A 67 67 THR C C 67 176.681 176.399 0.282 1
1 893 . 18 1 1 A 67 67 THR CA C 67 66.368 67.172 -0.804 1
1 894 . 18 1 1 A 67 67 THR CB C 67 68.290 68.219 0.071 1
1 896 . 18 1 1 A 67 67 THR N N 67 116.084 116.608 -0.524 1
1 897 . 18 1 1 A 68 68 ILE H H 68 8.324 8.095 0.229 1
1 898 . 18 1 1 A 68 68 ILE HA H 68 3.686 3.941 -0.255 1
1 908 . 18 1 1 A 68 68 ILE C C 68 176.527 177.390 -0.863 1
1 909 . 18 1 1 A 68 68 ILE CA C 68 65.205 62.840 2.365 1
1 910 . 18 1 1 A 68 68 ILE CB C 68 38.355 37.740 0.615 1
1 914 . 18 1 1 A 68 68 ILE N N 68 123.174 120.615 2.559 1
1 915 . 18 1 1 A 69 69 ARG H H 69 8.407 8.205 0.202 1
1 916 . 18 1 1 A 69 69 ARG HA H 69 3.673 3.666 0.007 1
1 923 . 18 1 1 A 69 69 ARG C C 69 179.687 178.481 1.206 1
1 924 . 18 1 1 A 69 69 ARG CA C 69 59.577 59.685 -0.108 1
1 925 . 18 1 1 A 69 69 ARG CB C 69 29.560 29.667 -0.107 1
1 928 . 18 1 1 A 69 69 ARG N N 69 121.358 121.815 -0.457 1
1 929 . 18 1 1 A 70 70 LYS H H 70 7.562 7.841 -0.279 1
1 930 . 18 1 1 A 70 70 LYS HA H 70 3.617 3.736 -0.119 1
1 939 . 18 1 1 A 70 70 LYS C C 70 177.129 178.110 -0.981 1
1 940 . 18 1 1 A 70 70 LYS CA C 70 59.380 58.575 0.805 1
1 941 . 18 1 1 A 70 70 LYS CB C 70 31.978 31.385 0.593 1
1 945 . 18 1 1 A 70 70 LYS N N 70 120.218 117.948 2.270 1
1 946 . 18 1 1 A 71 71 LEU H H 71 7.640 7.718 -0.078 1
1 947 . 18 1 1 A 71 71 LEU HA H 71 3.629 3.925 -0.296 1
1 957 . 18 1 1 A 71 71 LEU C C 71 178.157 178.325 -0.168 1
1 958 . 18 1 1 A 71 71 LEU CA C 71 58.477 58.123 0.354 1
1 959 . 18 1 1 A 71 71 LEU CB C 71 41.262 41.267 -0.005 1
1 963 . 18 1 1 A 71 71 LEU N N 71 119.991 121.012 -1.021 1
1 964 . 18 1 1 A 72 72 ASN H H 72 8.474 8.459 0.015 1
1 965 . 18 1 1 A 72 72 ASN HA H 72 4.485 4.608 -0.123 1
1 970 . 18 1 1 A 72 72 ASN C C 72 176.285 177.226 -0.941 1
1 971 . 18 1 1 A 72 72 ASN CA C 72 56.424 57.003 -0.579 1
1 972 . 18 1 1 A 72 72 ASN CB C 72 39.544 39.486 0.058 1
1 973 . 18 1 1 A 72 72 ASN N N 72 114.097 117.699 -3.602 1
1 975 . 18 1 1 A 73 73 SER H H 73 7.878 7.692 0.186 1
1 976 . 18 1 1 A 73 73 SER HA H 73 4.177 4.191 -0.014 1
1 979 . 18 1 1 A 73 73 SER C C 73 176.734 176.930 -0.196 1
1 980 . 18 1 1 A 73 73 SER CA C 73 61.741 61.232 0.509 1
1 981 . 18 1 1 A 73 73 SER CB C 73 62.573 63.011 -0.438 1
1 982 . 18 1 1 A 73 73 SER N N 73 115.022 113.924 1.098 1
1 983 . 18 1 1 A 74 74 TYR H H 74 8.078 7.834 0.244 1
1 984 . 18 1 1 A 74 74 TYR HA H 74 5.168 4.647 0.521 1
1 991 . 18 1 1 A 74 74 TYR C C 74 178.436 178.409 0.027 1
1 992 . 18 1 1 A 74 74 TYR CA C 74 58.023 61.349 -3.326 1
1 993 . 18 1 1 A 74 74 TYR CB C 74 37.835 38.342 -0.507 1
1 996 . 18 1 1 A 74 74 TYR N N 74 122.937 118.794 4.143 1
1 997 . 18 1 1 A 75 75 ILE H H 75 8.264 9.068 -0.804 1
1 998 . 18 1 1 A 75 75 ILE HA H 75 3.647 3.988 -0.341 1
1 1008 . 18 1 1 A 75 75 ILE C C 75 177.656 178.004 -0.348 1
1 1009 . 18 1 1 A 75 75 ILE CA C 75 66.349 64.701 1.648 1
1 1010 . 18 1 1 A 75 75 ILE CB C 75 37.494 37.649 -0.155 1
1 1014 . 18 1 1 A 75 75 ILE N N 75 119.080 120.370 -1.290 1
1 1015 . 18 1 1 A 76 76 ARG H H 76 9.316 8.727 0.589 1
1 1016 . 18 1 1 A 76 76 ARG HA H 76 3.896 4.035 -0.139 1
1 1024 . 18 1 1 A 76 76 ARG C C 76 179.033 179.445 -0.412 1
1 1025 . 18 1 1 A 76 76 ARG CA C 76 60.536 59.898 0.638 1
1 1026 . 18 1 1 A 76 76 ARG CB C 76 30.238 30.323 -0.085 1
1 1029 . 18 1 1 A 76 76 ARG N N 76 121.985 119.990 1.995 1
1 1031 . 18 1 1 A 77 77 ASN H H 77 8.003 8.571 -0.568 1
1 1032 . 18 1 1 A 77 77 ASN HA H 77 4.605 4.532 0.073 1
1 1037 . 18 1 1 A 77 77 ASN C C 77 177.146 177.818 -0.672 1
1 1038 . 18 1 1 A 77 77 ASN CA C 77 55.755 56.217 -0.462 1
1 1039 . 18 1 1 A 77 77 ASN CB C 77 38.857 38.207 0.650 1
1 1040 . 18 1 1 A 77 77 ASN N N 77 117.750 118.099 -0.349 1
1 1042 . 18 1 1 A 78 78 ALA H H 78 8.082 7.984 0.098 1
1 1043 . 18 1 1 A 78 78 ALA HA H 78 2.351 2.899 -0.548 1
1 1047 . 18 1 1 A 78 78 ALA C C 78 181.084 179.576 1.508 1
1 1048 . 18 1 1 A 78 78 ALA CA C 78 54.703 54.450 0.253 1
1 1049 . 18 1 1 A 78 78 ALA CB C 78 16.121 17.802 -1.681 1
1 1050 . 18 1 1 A 78 78 ALA N N 78 124.770 122.955 1.815 1
1 1051 . 18 1 1 A 79 79 PHE H H 79 8.603 7.987 0.616 1
1 1052 . 18 1 1 A 79 79 PHE HA H 79 3.974 4.184 -0.210 1
1 1060 . 18 1 1 A 79 79 PHE C C 79 177.841 177.902 -0.061 1
1 1061 . 18 1 1 A 79 79 PHE CA C 79 63.302 61.410 1.892 1
1 1062 . 18 1 1 A 79 79 PHE CB C 79 40.594 38.746 1.848 1
1 1066 . 18 1 1 A 79 79 PHE N N 79 116.847 115.625 1.222 1
1 1067 . 18 1 1 A 80 80 ASP H H 80 8.298 8.824 -0.526 1
1 1068 . 18 1 1 A 80 80 ASP HA H 80 4.620 4.362 0.258 1
1 1071 . 18 1 1 A 80 80 ASP C C 80 179.845 177.998 1.847 1
1 1072 . 18 1 1 A 80 80 ASP CA C 80 57.957 57.977 -0.020 1
1 1073 . 18 1 1 A 80 80 ASP CB C 80 39.595 41.625 -2.030 1
1 1074 . 18 1 1 A 80 80 ASP N N 80 121.362 120.122 1.240 1
1 1075 . 18 1 1 A 81 81 ASP H H 81 8.051 8.544 -0.493 1
1 1076 . 18 1 1 A 81 81 ASP HA H 81 4.724 4.445 0.279 1
1 1079 . 18 1 1 A 81 81 ASP C C 81 177.963 178.167 -0.204 1
1 1080 . 18 1 1 A 81 81 ASP CA C 81 57.537 58.011 -0.474 1
1 1081 . 18 1 1 A 81 81 ASP CB C 81 39.463 41.820 -2.357 1
1 1082 . 18 1 1 A 81 81 ASP N N 81 122.166 119.415 2.751 1
1 1083 . 18 1 1 A 82 82 ALA H H 82 8.025 7.455 0.570 1
1 1084 . 18 1 1 A 82 82 ALA HA H 82 4.106 4.274 -0.168 1
1 1088 . 18 1 1 A 82 82 ALA C C 82 180.223 180.439 -0.216 1
1 1089 . 18 1 1 A 82 82 ALA CA C 82 55.194 55.201 -0.007 1
1 1090 . 18 1 1 A 82 82 ALA CB C 82 17.947 18.348 -0.401 1
1 1091 . 18 1 1 A 82 82 ALA N N 82 124.747 121.653 3.094 1
1 1092 . 18 1 1 A 83 83 ILE H H 83 8.327 8.416 -0.089 1
1 1093 . 18 1 1 A 83 83 ILE HA H 83 4.235 3.697 0.538 1
1 1103 . 18 1 1 A 83 83 ILE C C 83 180.768 178.237 2.531 1
1 1104 . 18 1 1 A 83 83 ILE CA C 83 63.966 65.012 -1.046 1
1 1105 . 18 1 1 A 83 83 ILE CB C 83 38.254 37.581 0.673 1
1 1109 . 18 1 1 A 83 83 ILE N N 83 120.907 119.686 1.221 1
1 1110 . 18 1 1 A 84 84 HIS H H 84 7.934 8.612 -0.678 1
1 1111 . 18 1 1 A 84 84 HIS HA H 84 4.434 4.100 0.334 1
1 1116 . 18 1 1 A 84 84 HIS C C 84 178.250 177.031 1.219 1
1 1117 . 18 1 1 A 84 84 HIS CA C 84 59.042 60.553 -1.511 1
1 1118 . 18 1 1 A 84 84 HIS CB C 84 28.750 29.623 -0.873 1
1 1121 . 18 1 1 A 84 84 HIS N N 84 121.346 119.603 1.743 1
1 1124 . 18 1 1 A 85 85 GLU H H 85 8.074 7.921 0.153 1
1 1125 . 18 1 1 A 85 85 GLU HA H 85 4.192 4.167 0.025 1
1 1130 . 18 1 1 A 85 85 GLU C C 85 176.510 177.038 -0.528 1
1 1131 . 18 1 1 A 85 85 GLU CA C 85 56.512 56.300 0.212 1
1 1132 . 18 1 1 A 85 85 GLU CB C 85 30.284 30.146 0.138 1
1 1134 . 18 1 1 A 85 85 GLU N N 85 115.467 115.528 -0.061 1
1 1135 . 18 1 1 A 86 86 GLY H H 86 7.715 7.733 -0.018 1
1 1136 . 18 1 1 A 86 86 GLY HA2 H 86 3.844 3.997 -0.153 1
1 1137 . 18 1 1 A 86 86 GLY HA3 H 86 4.136 4.003 0.133 1
1 1138 . 18 1 1 A 86 86 GLY C C 86 175.243 174.417 0.826 1
1 1139 . 18 1 1 A 86 86 GLY CA C 86 45.108 46.041 -0.933 1
1 1140 . 18 1 1 A 86 86 GLY N N 86 105.999 108.185 -2.186 1
1 1141 . 18 1 1 A 87 87 TYR H H 87 8.173 8.597 -0.424 1
1 1142 . 18 1 1 A 87 87 TYR HA H 87 4.396 4.290 0.106 1
1 1149 . 18 1 1 A 87 87 TYR CA C 87 59.317 60.240 -0.923 1
1 1150 . 18 1 1 A 87 87 TYR CB C 87 39.558 39.956 -0.398 1
1 1153 . 18 1 1 A 87 87 TYR N N 87 118.412 121.197 -2.785 1
1 1154 . 18 1 1 A 88 88 VAL HA H 88 4.583 4.373 0.210 1
1 1162 . 18 1 1 A 88 88 VAL CB C 88 36.112 34.254 1.858 1
1 1165 . 18 1 1 A 89 89 ILE HA H 89 4.426 3.990 0.436 1
1 1175 . 18 1 1 A 89 89 ILE CA C 89 61.984 63.845 -1.861 1
1 1176 . 18 1 1 A 89 89 ILE CB C 89 39.850 38.385 1.465 1
1 1180 . 18 1 1 A 90 90 LYS H H 90 7.387 7.583 -0.196 1
1 1181 . 18 1 1 A 90 90 LYS HA H 90 4.508 4.754 -0.246 1
1 1190 . 18 1 1 A 90 90 LYS C C 90 174.665 175.476 -0.811 1
1 1191 . 18 1 1 A 90 90 LYS CA C 90 54.111 54.800 -0.689 1
1 1192 . 18 1 1 A 90 90 LYS CB C 90 35.086 36.586 -1.500 1
1 1196 . 18 1 1 A 91 91 ASN H H 91 8.803 8.821 -0.018 1
1 1197 . 18 1 1 A 91 91 ASN HA H 91 4.279 4.456 -0.177 1
1 1202 . 18 1 1 A 91 91 ASN CB C 91 38.879 37.968 0.911 1
1 1203 . 18 1 1 A 91 91 ASN N N 91 120.903 120.126 0.777 1
1 1205 . 18 1 1 A 92 92 PRO HA H 92 4.206 4.424 -0.218 1
1 1212 . 18 1 1 A 92 92 PRO C C 92 174.751 176.628 -1.877 1
1 1213 . 18 1 1 A 92 92 PRO CA C 92 63.927 63.298 0.629 1
1 1214 . 18 1 1 A 92 92 PRO CB C 92 30.969 31.870 -0.901 1
1 1217 . 18 1 1 A 93 93 THR H H 93 7.441 7.837 -0.396 1
1 1218 . 18 1 1 A 93 93 THR HA H 93 4.093 4.573 -0.480 1
1 1224 . 18 1 1 A 93 93 THR C C 93 175.922 173.784 2.138 1
1 1225 . 18 1 1 A 93 93 THR CA C 93 62.221 61.627 0.594 1
1 1226 . 18 1 1 A 93 93 THR CB C 93 69.463 68.102 1.361 1
1 1228 . 18 1 1 A 93 93 THR N N 93 105.991 110.528 -4.537 1
1 1229 . 18 1 1 A 94 94 TYR H H 94 7.139 8.844 -1.705 1
1 1230 . 18 1 1 A 94 94 TYR HA H 94 4.393 4.672 -0.279 1
1 1237 . 18 1 1 A 94 94 TYR C C 94 176.180 176.439 -0.259 1
1 1238 . 18 1 1 A 94 94 TYR CA C 94 58.272 59.716 -1.444 1
1 1239 . 18 1 1 A 94 94 TYR CB C 94 37.490 40.310 -2.820 1
1 1242 . 18 1 1 A 94 94 TYR N N 94 124.098 126.840 -2.742 1
1 1243 . 18 1 1 A 95 95 LYS H H 95 8.904 8.179 0.725 1
1 1244 . 18 1 1 A 95 95 LYS HA H 95 3.758 4.428 -0.670 1
1 1253 . 18 1 1 A 95 95 LYS C C 95 175.547 175.880 -0.333 1
1 1254 . 18 1 1 A 95 95 LYS CA C 95 57.078 55.548 1.530 1
1 1255 . 18 1 1 A 95 95 LYS CB C 95 29.962 32.213 -2.251 1
1 1259 . 18 1 1 A 95 95 LYS N N 95 121.317 116.201 5.116 1
1 1260 . 18 1 1 A 96 96 ALA H H 96 7.583 7.679 -0.096 1
1 1261 . 18 1 1 A 96 96 ALA HA H 96 4.157 4.284 -0.127 1
1 1265 . 18 1 1 A 96 96 ALA C C 96 177.630 176.075 1.555 1
1 1266 . 18 1 1 A 96 96 ALA CA C 96 53.298 51.511 1.787 1
1 1267 . 18 1 1 A 96 96 ALA CB C 96 18.807 17.608 1.199 1
1 1268 . 18 1 1 A 96 96 ALA N N 96 121.832 123.238 -1.406 1
1 1269 . 18 1 1 A 97 97 GLU H H 97 9.243 8.789 0.454 1
1 1270 . 18 1 1 A 97 97 GLU HA H 97 4.347 4.858 -0.511 1
1 1275 . 18 1 1 A 97 97 GLU C C 97 175.890 175.635 0.255 1
1 1276 . 18 1 1 A 97 97 GLU CA C 97 55.198 55.302 -0.104 1
1 1277 . 18 1 1 A 97 97 GLU CB C 97 30.931 31.734 -0.803 1
1 1279 . 18 1 1 A 97 97 GLU N N 97 121.989 123.509 -1.520 1
1 1280 . 18 1 1 A 98 98 LEU H H 98 8.401 8.704 -0.303 1
1 1281 . 18 1 1 A 98 98 LEU HA H 98 4.277 4.798 -0.521 1
1 1291 . 18 1 1 A 98 98 LEU C C 98 175.738 175.961 -0.223 1
1 1292 . 18 1 1 A 98 98 LEU CA C 98 54.337 54.341 -0.004 1
1 1293 . 18 1 1 A 98 98 LEU CB C 98 41.634 41.327 0.307 1
1 1297 . 18 1 1 A 98 98 LEU N N 98 123.414 124.672 -1.258 1
1 1298 . 18 1 1 A 99 99 HIS H H 99 8.749 8.782 -0.033 1
1 1299 . 18 1 1 A 99 99 HIS HA H 99 4.706 5.077 -0.371 1
1 1304 . 18 1 1 A 99 99 HIS C C 99 173.912 173.396 0.516 1
1 1305 . 18 1 1 A 99 99 HIS CA C 99 55.183 55.108 0.075 1
1 1306 . 18 1 1 A 99 99 HIS CB C 99 29.916 31.910 -1.994 1
1 1309 . 18 1 1 A 99 99 HIS N N 99 121.129 124.170 -3.041 1
1 1312 . 18 1 1 A 100 100 ALA H H 100 8.369 8.700 -0.331 1
1 1313 . 18 1 1 A 100 100 ALA HA H 100 4.518 4.590 -0.072 1
1 1317 . 18 1 1 A 100 100 ALA C C 100 177.533 177.521 0.012 1
1 1318 . 18 1 1 A 100 100 ALA CA C 100 51.753 51.398 0.355 1
1 1319 . 18 1 1 A 100 100 ALA CB C 100 20.081 19.336 0.745 1
1 1320 . 18 1 1 A 100 100 ALA N N 100 125.646 130.506 -4.860 1
1 1321 . 18 1 1 A 101 101 SER H H 101 8.357 8.752 -0.395 1
1 1322 . 18 1 1 A 101 101 SER HA H 101 4.452 4.868 -0.416 1
1 1325 . 18 1 1 A 101 101 SER C C 101 174.729 174.568 0.161 1
1 1326 . 18 1 1 A 101 101 SER CA C 101 58.781 57.399 1.382 1
1 1327 . 18 1 1 A 101 101 SER CB C 101 63.865 64.132 -0.267 1
1 1328 . 18 1 1 A 101 101 SER N N 101 115.505 120.857 -5.352 1
1 1329 . 18 1 1 A 102 102 VAL H H 102 7.884 8.008 -0.124 1
1 1330 . 18 1 1 A 102 102 VAL HA H 102 4.111 4.075 0.036 1
1 1338 . 18 1 1 A 102 102 VAL C C 102 175.837 175.889 -0.052 1
1 1339 . 18 1 1 A 102 102 VAL CA C 102 62.237 65.037 -2.800 1
1 1340 . 18 1 1 A 102 102 VAL CB C 102 32.336 32.049 0.287 1
1 1343 . 18 1 1 A 102 102 VAL N N 102 120.880 120.497 0.383 1
1 1344 . 18 1 1 A 103 103 LEU H H 103 8.170 7.671 0.499 1
1 1345 . 18 1 1 A 103 103 LEU HA H 103 4.299 5.141 -0.842 1
1 1355 . 18 1 1 A 103 103 LEU C C 103 177.129 174.941 2.188 1
1 1356 . 18 1 1 A 103 103 LEU CA C 103 54.999 52.706 2.293 1
1 1357 . 18 1 1 A 103 103 LEU CB C 103 42.276 45.359 -3.083 1
1 1361 . 18 1 1 A 103 103 LEU N N 103 124.757 117.453 7.304 1
1 1362 . 18 1 1 A 104 104 GLU H H 104 8.244 8.852 -0.608 1
1 1363 . 18 1 1 A 104 104 GLU HA H 104 4.175 5.015 -0.840 1
1 1368 . 18 1 1 A 104 104 GLU C C 104 176.153 175.448 0.705 1
1 1369 . 18 1 1 A 104 104 GLU CA C 104 56.413 54.457 1.956 1
1 1370 . 18 1 1 A 104 104 GLU CB C 104 30.270 33.427 -3.157 1
1 1372 . 18 1 1 A 104 104 GLU N N 104 121.146 120.393 0.753 1
1 1373 . 18 1 1 A 105 105 HIS H H 105 8.242 8.859 -0.617 1
1 1376 . 18 1 1 A 105 105 HIS C C 105 174.967 175.436 -0.469 1
1 1377 . 18 1 1 A 105 105 HIS CA C 105 56.137 57.392 -1.255 1
1 1378 . 18 1 1 A 105 105 HIS CB C 105 30.290 30.577 -0.287 1
1 13 . 19 1 1 A 2 2 ILE HA H 2 4.615 4.971 -0.356 1
1 23 . 19 1 1 A 2 2 ILE C C 2 175.630 174.625 1.005 1
1 24 . 19 1 1 A 2 2 ILE CA C 2 60.619 59.199 1.420 1
1 25 . 19 1 1 A 2 2 ILE CB C 2 40.542 42.383 -1.841 1
1 29 . 19 1 1 A 3 3 THR H H 3 9.133 8.614 0.519 1
1 30 . 19 1 1 A 3 3 THR HA H 3 4.656 4.509 0.147 1
1 36 . 19 1 1 A 3 3 THR C C 3 174.729 175.855 -1.126 1
1 37 . 19 1 1 A 3 3 THR CA C 3 61.509 62.144 -0.635 1
1 38 . 19 1 1 A 3 3 THR CB C 3 69.896 69.897 -0.001 1
1 40 . 19 1 1 A 3 3 THR N N 3 119.091 118.202 0.889 1
1 41 . 19 1 1 A 4 4 PHE H H 4 8.642 9.653 -1.011 1
1 42 . 19 1 1 A 4 4 PHE HA H 4 4.576 4.133 0.443 1
1 50 . 19 1 1 A 4 4 PHE C C 4 176.302 177.375 -1.073 1
1 51 . 19 1 1 A 4 4 PHE CA C 4 58.368 62.509 -4.141 1
1 52 . 19 1 1 A 4 4 PHE CB C 4 37.526 39.242 -1.716 1
1 56 . 19 1 1 A 4 4 PHE N N 4 122.510 123.386 -0.876 1
1 57 . 19 1 1 A 5 5 ALA H H 5 9.195 8.379 0.816 1
1 58 . 19 1 1 A 5 5 ALA HA H 5 3.692 4.030 -0.338 1
1 62 . 19 1 1 A 5 5 ALA C C 5 178.210 180.273 -2.063 1
1 63 . 19 1 1 A 5 5 ALA CA C 5 56.073 55.239 0.834 1
1 64 . 19 1 1 A 5 5 ALA CB C 5 17.897 18.245 -0.348 1
1 65 . 19 1 1 A 5 5 ALA N N 5 120.106 121.187 -1.081 1
1 66 . 19 1 1 A 6 6 ASP H H 6 7.978 8.241 -0.263 1
1 67 . 19 1 1 A 6 6 ASP HA H 6 4.615 4.498 0.117 1
1 70 . 19 1 1 A 6 6 ASP C C 6 179.370 178.412 0.958 1
1 71 . 19 1 1 A 6 6 ASP CA C 6 57.369 57.463 -0.094 1
1 72 . 19 1 1 A 6 6 ASP CB C 6 39.556 40.367 -0.811 1
1 73 . 19 1 1 A 6 6 ASP N N 6 115.486 118.472 -2.986 1
1 74 . 19 1 1 A 7 7 TYR H H 7 8.776 8.373 0.403 1
1 75 . 19 1 1 A 7 7 TYR HA H 7 3.984 4.352 -0.368 1
1 82 . 19 1 1 A 7 7 TYR C C 7 176.232 177.416 -1.184 1
1 83 . 19 1 1 A 7 7 TYR CA C 7 62.241 61.541 0.700 1
1 84 . 19 1 1 A 7 7 TYR CB C 7 38.521 38.407 0.114 1
1 87 . 19 1 1 A 7 7 TYR N N 7 120.885 122.662 -1.777 1
1 88 . 19 1 1 A 8 8 PHE H H 8 9.024 8.535 0.489 1
1 89 . 19 1 1 A 8 8 PHE HA H 8 3.732 4.069 -0.337 1
1 97 . 19 1 1 A 8 8 PHE C C 8 176.261 176.857 -0.596 1
1 98 . 19 1 1 A 8 8 PHE CA C 8 62.936 61.936 1.000 1
1 99 . 19 1 1 A 8 8 PHE CB C 8 39.553 38.771 0.782 1
1 103 . 19 1 1 A 8 8 PHE N N 8 118.754 120.360 -1.606 1
1 104 . 19 1 1 A 9 9 TYR H H 9 8.202 8.123 0.079 1
1 105 . 19 1 1 A 9 9 TYR HA H 9 3.742 3.967 -0.225 1
1 112 . 19 1 1 A 9 9 TYR C C 9 176.496 177.156 -0.660 1
1 113 . 19 1 1 A 9 9 TYR CA C 9 62.939 61.236 1.703 1
1 114 . 19 1 1 A 9 9 TYR CB C 9 37.941 38.016 -0.075 1
1 117 . 19 1 1 A 9 9 TYR N N 9 117.271 120.212 -2.941 1
1 118 . 19 1 1 A 10 10 GLN H H 10 8.029 8.346 -0.317 1
1 119 . 19 1 1 A 10 10 GLN HA H 10 3.928 3.872 0.056 1
1 126 . 19 1 1 A 10 10 GLN C C 10 177.393 177.758 -0.365 1
1 127 . 19 1 1 A 10 10 GLN CA C 10 58.717 58.531 0.186 1
1 128 . 19 1 1 A 10 10 GLN CB C 10 28.482 28.459 0.023 1
1 130 . 19 1 1 A 10 10 GLN N N 10 117.935 117.460 0.475 1
1 132 . 19 1 1 A 11 11 TRP H H 11 8.772 8.174 0.598 1
1 133 . 19 1 1 A 11 11 TRP HA H 11 3.690 4.133 -0.443 1
1 142 . 19 1 1 A 11 11 TRP C C 11 178.487 177.498 0.989 1
1 143 . 19 1 1 A 11 11 TRP CA C 11 61.256 60.682 0.574 1
1 144 . 19 1 1 A 11 11 TRP CB C 11 27.472 29.168 -1.696 1
1 150 . 19 1 1 A 11 11 TRP N N 11 121.577 121.862 -0.285 1
1 152 . 19 1 1 A 12 12 TYR H H 12 8.168 7.947 0.221 1
1 153 . 19 1 1 A 12 12 TYR HA H 12 2.938 3.268 -0.330 1
1 160 . 19 1 1 A 12 12 TYR C C 12 177.277 177.658 -0.381 1
1 161 . 19 1 1 A 12 12 TYR CA C 12 59.178 60.925 -1.747 1
1 162 . 19 1 1 A 12 12 TYR CB C 12 36.729 38.061 -1.332 1
1 165 . 19 1 1 A 12 12 TYR N N 12 121.811 121.027 0.784 1
1 166 . 19 1 1 A 13 13 GLU H H 13 8.434 7.753 0.681 1
1 167 . 19 1 1 A 13 13 GLU HA H 13 2.996 3.250 -0.254 1
1 172 . 19 1 1 A 13 13 GLU C C 13 177.157 176.884 0.273 1
1 173 . 19 1 1 A 13 13 GLU CA C 13 59.164 57.800 1.364 1
1 174 . 19 1 1 A 13 13 GLU CB C 13 29.447 29.019 0.428 1
1 176 . 19 1 1 A 13 13 GLU N N 13 123.599 119.492 4.107 1
1 177 . 19 1 1 A 14 14 VAL H H 14 7.605 6.910 0.695 1
1 178 . 19 1 1 A 14 14 VAL HA H 14 3.562 3.795 -0.233 1
1 186 . 19 1 1 A 14 14 VAL C C 14 177.289 176.828 0.461 1
1 187 . 19 1 1 A 14 14 VAL CA C 14 64.338 63.459 0.879 1
1 188 . 19 1 1 A 14 14 VAL CB C 14 32.669 32.462 0.207 1
1 191 . 19 1 1 A 14 14 VAL N N 14 113.566 117.520 -3.954 1
1 192 . 19 1 1 A 15 15 ASN H H 15 7.482 7.306 0.176 1
1 193 . 19 1 1 A 15 15 ASN HA H 15 4.429 4.604 -0.175 1
1 198 . 19 1 1 A 15 15 ASN C C 15 175.201 176.442 -1.241 1
1 199 . 19 1 1 A 15 15 ASN CA C 15 55.218 53.901 1.317 1
1 200 . 19 1 1 A 15 15 ASN CB C 15 39.927 39.420 0.507 1
1 201 . 19 1 1 A 15 15 ASN N N 15 112.195 115.224 -3.029 1
1 203 . 19 1 1 A 16 16 LYS H H 16 7.413 7.780 -0.367 1
1 204 . 19 1 1 A 16 16 LYS HA H 16 4.338 4.309 0.029 1
1 213 . 19 1 1 A 16 16 LYS C C 16 175.309 177.306 -1.997 1
1 214 . 19 1 1 A 16 16 LYS CA C 16 54.807 56.306 -1.499 1
1 215 . 19 1 1 A 16 16 LYS CB C 16 32.665 33.681 -1.016 1
1 219 . 19 1 1 A 16 16 LYS N N 16 115.814 115.537 0.277 1
1 220 . 19 1 1 A 17 17 LEU H H 17 7.490 7.244 0.246 1
1 221 . 19 1 1 A 17 17 LEU HA H 17 3.603 3.540 0.063 1
1 231 . 19 1 1 A 17 17 LEU C C 17 173.754 176.814 -3.060 1
1 232 . 19 1 1 A 17 17 LEU CA C 17 59.847 59.532 0.315 1
1 233 . 19 1 1 A 17 17 LEU CB C 17 39.552 39.752 -0.200 1
1 237 . 19 1 1 A 17 17 LEU N N 17 121.586 121.740 -0.154 1
1 238 . 19 1 1 A 18 18 PRO HA H 18 4.107 4.316 -0.209 1
1 245 . 19 1 1 A 18 18 PRO C C 18 176.412 176.447 -0.035 1
1 246 . 19 1 1 A 18 18 PRO CA C 18 64.656 63.688 0.968 1
1 247 . 19 1 1 A 18 18 PRO CB C 18 30.980 32.553 -1.573 1
1 250 . 19 1 1 A 19 19 HIS H H 19 7.631 7.735 -0.104 1
1 251 . 19 1 1 A 19 19 HIS HA H 19 4.857 4.565 0.292 1
1 256 . 19 1 1 A 19 19 HIS C C 19 175.822 175.060 0.762 1
1 257 . 19 1 1 A 19 19 HIS CA C 19 55.004 57.111 -2.107 1
1 258 . 19 1 1 A 19 19 HIS CB C 19 32.358 31.557 0.801 1
1 260 . 19 1 1 A 19 19 HIS N N 19 111.190 116.174 -4.984 1
1 263 . 19 1 1 A 20 20 VAL H H 20 7.124 7.753 -0.629 1
1 264 . 19 1 1 A 20 20 VAL HA H 20 4.728 4.197 0.531 1
1 272 . 19 1 1 A 20 20 VAL C C 20 175.497 175.845 -0.348 1
1 273 . 19 1 1 A 20 20 VAL CA C 20 60.134 61.048 -0.914 1
1 274 . 19 1 1 A 20 20 VAL CB C 20 34.199 33.268 0.931 1
1 277 . 19 1 1 A 20 20 VAL N N 20 112.191 116.718 -4.527 1
1 278 . 19 1 1 A 21 21 SER H H 21 8.589 8.737 -0.148 1
1 279 . 19 1 1 A 21 21 SER HA H 21 4.531 4.742 -0.211 1
1 282 . 19 1 1 A 21 21 SER C C 21 174.840 175.844 -1.004 1
1 283 . 19 1 1 A 21 21 SER CA C 21 57.236 57.489 -0.253 1
1 284 . 19 1 1 A 21 21 SER CB C 21 65.251 65.420 -0.169 1
1 285 . 19 1 1 A 21 21 SER N N 21 116.825 117.436 -0.611 1
1 286 . 19 1 1 A 22 22 GLU H H 22 8.964 9.185 -0.221 1
1 287 . 19 1 1 A 22 22 GLU HA H 22 3.922 4.207 -0.285 1
1 292 . 19 1 1 A 22 22 GLU C C 22 178.606 178.784 -0.178 1
1 293 . 19 1 1 A 22 22 GLU CA C 22 59.837 59.407 0.430 1
1 294 . 19 1 1 A 22 22 GLU CB C 22 29.239 29.200 0.039 1
1 296 . 19 1 1 A 22 22 GLU N N 22 120.863 121.655 -0.792 1
1 297 . 19 1 1 A 23 23 SER H H 23 8.426 7.964 0.462 1
1 298 . 19 1 1 A 23 23 SER HA H 23 4.151 4.297 -0.146 1
1 301 . 19 1 1 A 23 23 SER C C 23 176.977 177.682 -0.705 1
1 302 . 19 1 1 A 23 23 SER CA C 23 61.220 61.620 -0.400 1
1 303 . 19 1 1 A 23 23 SER CB C 23 62.252 63.130 -0.878 1
1 304 . 19 1 1 A 23 23 SER N N 23 112.196 116.174 -3.978 1
1 305 . 19 1 1 A 24 24 THR H H 24 7.749 7.885 -0.136 1
1 306 . 19 1 1 A 24 24 THR HA H 24 4.163 4.495 -0.332 1
1 311 . 19 1 1 A 24 24 THR C C 24 176.523 177.172 -0.649 1
1 312 . 19 1 1 A 24 24 THR CA C 24 66.045 67.213 -1.168 1
1 313 . 19 1 1 A 24 24 THR CB C 24 68.305 68.231 0.074 1
1 315 . 19 1 1 A 24 24 THR N N 24 120.348 118.116 2.232 1
1 316 . 19 1 1 A 25 25 LYS H H 25 8.605 8.164 0.441 1
1 317 . 19 1 1 A 25 25 LYS HA H 25 4.064 4.153 -0.089 1
1 326 . 19 1 1 A 25 25 LYS C C 25 178.447 179.040 -0.593 1
1 327 . 19 1 1 A 25 25 LYS CA C 25 61.087 60.017 1.070 1
1 328 . 19 1 1 A 25 25 LYS CB C 25 32.717 32.183 0.534 1
1 332 . 19 1 1 A 25 25 LYS N N 25 123.593 120.640 2.953 1
1 333 . 19 1 1 A 26 26 ARG H H 26 7.485 7.884 -0.399 1
1 334 . 19 1 1 A 26 26 ARG HA H 26 4.146 3.976 0.170 1
1 341 . 19 1 1 A 26 26 ARG C C 26 179.845 179.059 0.786 1
1 342 . 19 1 1 A 26 26 ARG CA C 26 58.916 59.171 -0.255 1
1 343 . 19 1 1 A 26 26 ARG CB C 26 30.384 29.624 0.760 1
1 346 . 19 1 1 A 26 26 ARG N N 26 114.116 120.491 -6.375 1
1 347 . 19 1 1 A 27 27 HIS H H 27 7.677 7.771 -0.094 1
1 348 . 19 1 1 A 27 27 HIS HA H 27 4.757 4.305 0.452 1
1 353 . 19 1 1 A 27 27 HIS C C 27 179.743 177.197 2.546 1
1 354 . 19 1 1 A 27 27 HIS CA C 27 58.659 59.727 -1.068 1
1 355 . 19 1 1 A 27 27 HIS CB C 27 30.967 30.082 0.885 1
1 358 . 19 1 1 A 27 27 HIS N N 27 119.389 118.086 1.303 1
1 361 . 19 1 1 A 28 28 TYR H H 28 8.119 7.892 0.227 1
1 362 . 19 1 1 A 28 28 TYR HA H 28 4.009 4.033 -0.024 1
1 369 . 19 1 1 A 28 28 TYR C C 28 178.685 178.434 0.251 1
1 370 . 19 1 1 A 28 28 TYR CA C 28 63.311 61.960 1.351 1
1 371 . 19 1 1 A 28 28 TYR CB C 28 38.879 37.586 1.293 1
1 374 . 19 1 1 A 28 28 TYR N N 28 121.786 118.040 3.746 1
1 375 . 19 1 1 A 29 29 GLU H H 29 8.631 8.458 0.173 1
1 376 . 19 1 1 A 29 29 GLU HA H 29 4.067 4.114 -0.047 1
1 381 . 19 1 1 A 29 29 GLU C C 29 179.950 178.958 0.992 1
1 382 . 19 1 1 A 29 29 GLU CA C 29 59.827 60.072 -0.245 1
1 383 . 19 1 1 A 29 29 GLU CB C 29 29.172 29.306 -0.134 1
1 385 . 19 1 1 A 29 29 GLU N N 29 119.090 119.958 -0.868 1
1 386 . 19 1 1 A 30 30 SER H H 30 8.307 7.918 0.389 1
1 387 . 19 1 1 A 30 30 SER HA H 30 4.467 4.307 0.160 1
1 390 . 19 1 1 A 30 30 SER C C 30 177.445 177.500 -0.055 1
1 391 . 19 1 1 A 30 30 SER CA C 30 61.068 61.777 -0.709 1
1 392 . 19 1 1 A 30 30 SER CB C 30 63.054 63.090 -0.036 1
1 393 . 19 1 1 A 30 30 SER N N 30 115.027 115.667 -0.640 1
1 394 . 19 1 1 A 31 31 ALA H H 31 8.319 8.296 0.023 1
1 395 . 19 1 1 A 31 31 ALA HA H 31 4.070 4.192 -0.122 1
1 399 . 19 1 1 A 31 31 ALA C C 31 178.488 179.579 -1.091 1
1 400 . 19 1 1 A 31 31 ALA CA C 31 55.926 55.119 0.807 1
1 401 . 19 1 1 A 31 31 ALA CB C 31 18.510 18.936 -0.426 1
1 402 . 19 1 1 A 31 31 ALA N N 31 124.966 123.154 1.812 1
1 403 . 19 1 1 A 32 32 TYR H H 32 8.537 8.992 -0.455 1
1 404 . 19 1 1 A 32 32 TYR HA H 32 4.114 4.224 -0.110 1
1 411 . 19 1 1 A 32 32 TYR C C 32 175.705 178.176 -2.471 1
1 412 . 19 1 1 A 32 32 TYR CA C 32 60.480 62.202 -1.722 1
1 413 . 19 1 1 A 32 32 TYR CB C 32 37.864 39.310 -1.446 1
1 416 . 19 1 1 A 32 32 TYR N N 32 116.814 119.791 -2.977 1
1 417 . 19 1 1 A 33 33 LYS H H 33 7.988 8.607 -0.619 1
1 418 . 19 1 1 A 33 33 LYS HA H 33 3.513 3.824 -0.311 1
1 427 . 19 1 1 A 33 33 LYS C C 33 178.474 178.694 -0.220 1
1 428 . 19 1 1 A 33 33 LYS CA C 33 59.810 58.969 0.841 1
1 429 . 19 1 1 A 33 33 LYS CB C 33 32.000 31.989 0.011 1
1 433 . 19 1 1 A 33 33 LYS N N 33 119.358 118.597 0.761 1
1 434 . 19 1 1 A 34 34 HIS H H 34 8.187 7.714 0.473 1
1 435 . 19 1 1 A 34 34 HIS HA H 34 4.449 4.616 -0.167 1
1 440 . 19 1 1 A 34 34 HIS C C 34 178.948 178.065 0.883 1
1 441 . 19 1 1 A 34 34 HIS CA C 34 60.883 60.409 0.474 1
1 442 . 19 1 1 A 34 34 HIS CB C 34 28.843 31.435 -2.592 1
1 445 . 19 1 1 A 34 34 HIS N N 34 116.156 118.619 -2.463 1
1 448 . 19 1 1 A 35 35 ILE H H 35 8.676 8.339 0.337 1
1 449 . 19 1 1 A 35 35 ILE HA H 35 3.513 3.433 0.080 1
1 459 . 19 1 1 A 35 35 ILE C C 35 177.630 178.488 -0.858 1
1 460 . 19 1 1 A 35 35 ILE CA C 35 65.690 65.362 0.328 1
1 461 . 19 1 1 A 35 35 ILE CB C 35 38.481 37.635 0.846 1
1 465 . 19 1 1 A 35 35 ILE N N 35 121.824 120.470 1.354 1
1 466 . 19 1 1 A 36 36 LYS H H 36 8.797 8.358 0.439 1
1 467 . 19 1 1 A 36 36 LYS HA H 36 3.712 4.095 -0.383 1
1 476 . 19 1 1 A 36 36 LYS C C 36 179.397 178.518 0.879 1
1 477 . 19 1 1 A 36 36 LYS CA C 36 59.860 58.950 0.910 1
1 478 . 19 1 1 A 36 36 LYS CB C 36 31.878 31.567 0.311 1
1 482 . 19 1 1 A 36 36 LYS N N 36 121.589 120.449 1.140 1
1 483 . 19 1 1 A 37 37 ASP H H 37 8.246 7.946 0.300 1
1 484 . 19 1 1 A 37 37 ASP HA H 37 4.336 4.302 0.034 1
1 487 . 19 1 1 A 37 37 ASP C C 37 177.234 178.392 -1.158 1
1 488 . 19 1 1 A 37 37 ASP CA C 37 56.932 57.211 -0.279 1
1 489 . 19 1 1 A 37 37 ASP CB C 37 40.576 41.666 -1.090 1
1 490 . 19 1 1 A 37 37 ASP N N 37 118.225 120.589 -2.364 1
1 491 . 19 1 1 A 38 38 HIS H H 38 7.867 7.592 0.275 1
1 492 . 19 1 1 A 38 38 HIS HA H 38 4.284 4.340 -0.056 1
1 496 . 19 1 1 A 38 38 HIS C C 38 176.839 175.826 1.013 1
1 497 . 19 1 1 A 38 38 HIS CA C 38 59.389 59.280 0.109 1
1 498 . 19 1 1 A 38 38 HIS CB C 38 31.630 30.622 1.008 1
1 500 . 19 1 1 A 38 38 HIS N N 38 115.487 115.881 -0.394 1
1 501 . 19 1 1 A 39 39 PHE H H 39 9.082 8.487 0.595 1
1 502 . 19 1 1 A 39 39 PHE HA H 39 4.369 4.745 -0.376 1
1 510 . 19 1 1 A 39 39 PHE C C 39 175.890 175.352 0.538 1
1 511 . 19 1 1 A 39 39 PHE CA C 39 60.159 56.276 3.883 1
1 512 . 19 1 1 A 39 39 PHE CB C 39 38.850 37.034 1.816 1
1 516 . 19 1 1 A 39 39 PHE N N 39 114.327 115.629 -1.302 1
1 517 . 19 1 1 A 40 40 ARG H H 40 8.104 7.658 0.446 1
1 518 . 19 1 1 A 40 40 ARG HA H 40 3.921 4.309 -0.388 1
1 525 . 19 1 1 A 40 40 ARG C C 40 176.892 176.999 -0.107 1
1 526 . 19 1 1 A 40 40 ARG CA C 40 58.009 57.131 0.878 1
1 527 . 19 1 1 A 40 40 ARG CB C 40 27.531 30.217 -2.686 1
1 530 . 19 1 1 A 40 40 ARG N N 40 118.379 121.755 -3.376 1
1 531 . 19 1 1 A 41 41 HIS H H 41 8.589 8.775 -0.186 1
1 532 . 19 1 1 A 41 41 HIS HA H 41 4.910 4.117 0.793 1
1 536 . 19 1 1 A 41 41 HIS C C 41 174.835 173.701 1.134 1
1 537 . 19 1 1 A 41 41 HIS CA C 41 55.473 57.241 -1.768 1
1 538 . 19 1 1 A 41 41 HIS CB C 41 29.720 26.752 2.968 1
1 540 . 19 1 1 A 41 41 HIS N N 41 123.828 119.573 4.255 1
1 541 . 19 1 1 A 42 42 LYS H H 42 8.326 7.881 0.445 1
1 542 . 19 1 1 A 42 42 LYS HA H 42 4.181 4.505 -0.324 1
1 551 . 19 1 1 A 42 42 LYS C C 42 177.973 176.445 1.528 1
1 552 . 19 1 1 A 42 42 LYS CA C 42 58.201 56.019 2.182 1
1 553 . 19 1 1 A 42 42 LYS CB C 42 33.047 33.721 -0.674 1
1 557 . 19 1 1 A 42 42 LYS N N 42 121.129 119.530 1.599 1
1 558 . 19 1 1 A 43 43 LEU H H 43 9.243 8.605 0.638 1
1 559 . 19 1 1 A 43 43 LEU HA H 43 4.346 4.425 -0.079 1
1 569 . 19 1 1 A 43 43 LEU C C 43 177.840 177.922 -0.082 1
1 570 . 19 1 1 A 43 43 LEU CA C 43 55.420 54.839 0.581 1
1 571 . 19 1 1 A 43 43 LEU CB C 43 40.936 42.231 -1.295 1
1 575 . 19 1 1 A 43 43 LEU N N 43 124.529 127.616 -3.087 1
1 576 . 19 1 1 A 44 44 LEU H H 44 8.404 8.989 -0.585 1
1 577 . 19 1 1 A 44 44 LEU HA H 44 3.681 3.971 -0.290 1
1 587 . 19 1 1 A 44 44 LEU C C 44 177.962 178.310 -0.348 1
1 588 . 19 1 1 A 44 44 LEU CA C 44 58.773 58.776 -0.003 1
1 589 . 19 1 1 A 44 44 LEU CB C 44 42.661 41.364 1.297 1
1 593 . 19 1 1 A 44 44 LEU N N 44 123.643 126.133 -2.490 1
1 594 . 19 1 1 A 45 45 LYS HA H 45 4.126 4.067 0.059 1
1 603 . 19 1 1 A 45 45 LYS C C 45 175.533 176.713 -1.180 1
1 604 . 19 1 1 A 45 45 LYS CA C 45 57.405 58.248 -0.843 1
1 605 . 19 1 1 A 45 45 LYS CB C 45 31.650 31.930 -0.280 1
1 609 . 19 1 1 A 46 46 ASP H H 46 7.520 7.766 -0.246 1
1 610 . 19 1 1 A 46 46 ASP HA H 46 4.888 4.707 0.181 1
1 613 . 19 1 1 A 46 46 ASP C C 46 175.811 176.265 -0.454 1
1 614 . 19 1 1 A 46 46 ASP CA C 46 54.268 53.301 0.967 1
1 615 . 19 1 1 A 46 46 ASP CB C 46 42.178 40.946 1.232 1
1 616 . 19 1 1 A 46 46 ASP N N 46 118.587 119.114 -0.527 1
1 617 . 19 1 1 A 47 47 ILE H H 47 6.965 7.194 -0.229 1
1 618 . 19 1 1 A 47 47 ILE HA H 47 4.048 3.891 0.157 1
1 628 . 19 1 1 A 47 47 ILE C C 47 175.362 175.629 -0.267 1
1 629 . 19 1 1 A 47 47 ILE CA C 47 59.826 61.478 -1.652 1
1 630 . 19 1 1 A 47 47 ILE CB C 47 34.389 37.695 -3.306 1
1 634 . 19 1 1 A 47 47 ILE N N 47 119.126 121.799 -2.673 1
1 635 . 19 1 1 A 48 48 LYS H H 48 8.489 8.683 -0.194 1
1 636 . 19 1 1 A 48 48 LYS HA H 48 4.635 4.426 0.209 1
1 645 . 19 1 1 A 48 48 LYS C C 48 177.252 177.691 -0.439 1
1 646 . 19 1 1 A 48 48 LYS CA C 48 54.357 56.508 -2.151 1
1 647 . 19 1 1 A 48 48 LYS CB C 48 34.753 33.128 1.625 1
1 651 . 19 1 1 A 48 48 LYS N N 48 127.892 128.755 -0.863 1
1 652 . 19 1 1 A 49 49 ARG H H 49 8.816 8.623 0.193 1
1 653 . 19 1 1 A 49 49 ARG HA H 49 4.314 4.098 0.216 1
1 660 . 19 1 1 A 49 49 ARG C C 49 178.464 177.873 0.591 1
1 661 . 19 1 1 A 49 49 ARG CA C 49 60.341 58.708 1.633 1
1 662 . 19 1 1 A 49 49 ARG CB C 49 30.197 29.918 0.279 1
1 665 . 19 1 1 A 49 49 ARG N N 49 122.736 125.982 -3.246 1
1 666 . 19 1 1 A 50 50 THR H H 50 8.269 8.042 0.227 1
1 667 . 19 1 1 A 50 50 THR HA H 50 4.079 4.039 0.040 1
1 672 . 19 1 1 A 50 50 THR C C 50 177.316 176.639 0.677 1
1 673 . 19 1 1 A 50 50 THR CA C 50 65.501 65.704 -0.203 1
1 674 . 19 1 1 A 50 50 THR CB C 50 67.951 68.252 -0.301 1
1 676 . 19 1 1 A 50 50 THR N N 50 110.696 111.852 -1.156 1
1 677 . 19 1 1 A 51 51 GLU H H 51 7.260 8.292 -1.032 1
1 678 . 19 1 1 A 51 51 GLU HA H 51 4.239 4.090 0.149 1
1 683 . 19 1 1 A 51 51 GLU C C 51 179.621 178.394 1.227 1
1 684 . 19 1 1 A 51 51 GLU CA C 51 58.921 59.424 -0.503 1
1 685 . 19 1 1 A 51 51 GLU CB C 51 29.916 29.528 0.388 1
1 687 . 19 1 1 A 51 51 GLU N N 51 121.344 122.341 -0.997 1
1 688 . 19 1 1 A 52 52 TYR H H 52 8.678 8.865 -0.187 1
1 689 . 19 1 1 A 52 52 TYR HA H 52 4.376 4.487 -0.111 1
1 697 . 19 1 1 A 52 52 TYR C C 52 176.120 177.505 -1.385 1
1 698 . 19 1 1 A 52 52 TYR CA C 52 62.660 61.467 1.193 1
1 699 . 19 1 1 A 52 52 TYR CB C 52 38.206 39.174 -0.968 1
1 702 . 19 1 1 A 52 52 TYR N N 52 122.483 120.784 1.699 1
1 703 . 19 1 1 A 53 53 GLN H H 53 8.801 8.386 0.415 1
1 704 . 19 1 1 A 53 53 GLN HA H 53 3.721 3.734 -0.013 1
1 711 . 19 1 1 A 53 53 GLN C C 53 177.894 178.029 -0.135 1
1 712 . 19 1 1 A 53 53 GLN CA C 53 58.111 58.471 -0.360 1
1 713 . 19 1 1 A 53 53 GLN CB C 53 28.909 28.654 0.255 1
1 715 . 19 1 1 A 53 53 GLN N N 53 118.817 118.362 0.455 1
1 717 . 19 1 1 A 54 54 LYS H H 54 7.685 8.230 -0.545 1
1 718 . 19 1 1 A 54 54 LYS HA H 54 4.051 4.034 0.017 1
1 727 . 19 1 1 A 54 54 LYS C C 54 178.918 178.465 0.453 1
1 728 . 19 1 1 A 54 54 LYS CA C 54 59.845 58.867 0.978 1
1 729 . 19 1 1 A 54 54 LYS CB C 54 32.339 32.028 0.311 1
1 733 . 19 1 1 A 54 54 LYS N N 54 118.629 119.084 -0.455 1
1 734 . 19 1 1 A 55 55 PHE H H 55 7.533 8.281 -0.748 1
1 735 . 19 1 1 A 55 55 PHE HA H 55 3.660 3.916 -0.256 1
1 743 . 19 1 1 A 55 55 PHE C C 55 176.180 176.934 -0.754 1
1 744 . 19 1 1 A 55 55 PHE CA C 55 59.494 60.992 -1.498 1
1 745 . 19 1 1 A 55 55 PHE CB C 55 38.189 38.953 -0.764 1
1 749 . 19 1 1 A 55 55 PHE N N 55 120.449 120.781 -0.332 1
1 750 . 19 1 1 A 56 56 LEU H H 56 8.019 8.291 -0.272 1
1 751 . 19 1 1 A 56 56 LEU HA H 56 3.254 3.625 -0.371 1
1 761 . 19 1 1 A 56 56 LEU C C 56 179.581 179.099 0.482 1
1 762 . 19 1 1 A 56 56 LEU CA C 56 57.366 57.735 -0.369 1
1 763 . 19 1 1 A 56 56 LEU CB C 56 41.462 41.266 0.196 1
1 767 . 19 1 1 A 56 56 LEU N N 56 120.223 120.010 0.213 1
1 768 . 19 1 1 A 57 57 ASN H H 57 8.427 8.776 -0.349 1
1 769 . 19 1 1 A 57 57 ASN HA H 57 4.324 4.504 -0.180 1
1 774 . 19 1 1 A 57 57 ASN C C 57 178.105 177.645 0.460 1
1 775 . 19 1 1 A 57 57 ASN CA C 57 55.194 56.639 -1.445 1
1 776 . 19 1 1 A 57 57 ASN CB C 57 36.948 37.565 -0.617 1
1 777 . 19 1 1 A 57 57 ASN N N 57 118.422 117.986 0.436 1
1 779 . 19 1 1 A 58 58 GLU H H 58 7.873 8.225 -0.352 1
1 780 . 19 1 1 A 58 58 GLU HA H 58 4.063 4.087 -0.024 1
1 785 . 19 1 1 A 58 58 GLU C C 58 179.660 178.574 1.086 1
1 786 . 19 1 1 A 58 58 GLU CA C 58 59.064 59.297 -0.233 1
1 787 . 19 1 1 A 58 58 GLU CB C 58 29.592 29.252 0.340 1
1 789 . 19 1 1 A 58 58 GLU N N 58 121.129 119.822 1.307 1
1 790 . 19 1 1 A 59 59 TYR H H 59 8.638 8.148 0.490 1
1 791 . 19 1 1 A 59 59 TYR HA H 59 3.949 4.052 -0.103 1
1 798 . 19 1 1 A 59 59 TYR C C 59 179.907 178.088 1.819 1
1 799 . 19 1 1 A 59 59 TYR CA C 59 61.870 61.243 0.627 1
1 800 . 19 1 1 A 59 59 TYR CB C 59 38.156 38.198 -0.042 1
1 803 . 19 1 1 A 59 59 TYR N N 59 124.461 121.030 3.431 1
1 804 . 19 1 1 A 60 60 GLY H H 60 8.925 8.403 0.522 1
1 805 . 19 1 1 A 60 60 GLY HA2 H 60 3.947 4.004 -0.057 1
1 806 . 19 1 1 A 60 60 GLY HA3 H 60 4.175 4.007 0.168 1
1 807 . 19 1 1 A 60 60 GLY C C 60 173.294 174.697 -1.403 1
1 808 . 19 1 1 A 60 60 GLY CA C 60 46.424 45.693 0.731 1
1 809 . 19 1 1 A 60 60 GLY N N 60 107.578 106.144 1.434 1
1 810 . 19 1 1 A 61 61 LEU H H 61 7.448 7.871 -0.423 1
1 811 . 19 1 1 A 61 61 LEU HA H 61 4.238 4.339 -0.101 1
1 821 . 19 1 1 A 61 61 LEU C C 61 179.159 177.579 1.580 1
1 822 . 19 1 1 A 61 61 LEU CA C 61 57.274 55.461 1.813 1
1 823 . 19 1 1 A 61 61 LEU CB C 61 42.304 42.318 -0.014 1
1 827 . 19 1 1 A 61 61 LEU N N 61 118.202 119.724 -1.522 1
1 828 . 19 1 1 A 62 62 THR H H 62 6.974 7.361 -0.387 1
1 829 . 19 1 1 A 62 62 THR HA H 62 4.385 4.545 -0.160 1
1 834 . 19 1 1 A 62 62 THR C C 62 173.170 173.115 0.055 1
1 835 . 19 1 1 A 62 62 THR CA C 62 59.813 60.602 -0.789 1
1 836 . 19 1 1 A 62 62 THR CB C 62 69.697 70.248 -0.551 1
1 838 . 19 1 1 A 62 62 THR N N 62 101.223 105.928 -4.705 1
1 839 . 19 1 1 A 63 63 HIS H H 63 7.041 7.542 -0.501 1
1 840 . 19 1 1 A 63 63 HIS HA H 63 4.861 5.030 -0.169 1
1 845 . 19 1 1 A 63 63 HIS C C 63 172.567 174.172 -1.605 1
1 846 . 19 1 1 A 63 63 HIS CA C 63 55.522 54.364 1.158 1
1 847 . 19 1 1 A 63 63 HIS CB C 63 32.328 33.449 -1.121 1
1 850 . 19 1 1 A 63 63 HIS N N 63 116.818 119.505 -2.687 1
1 853 . 19 1 1 A 64 64 SER H H 64 8.717 8.633 0.084 1
1 854 . 19 1 1 A 64 64 SER HA H 64 4.582 4.550 0.032 1
1 857 . 19 1 1 A 64 64 SER C C 64 174.545 175.059 -0.514 1
1 858 . 19 1 1 A 64 64 SER CA C 64 57.169 58.595 -1.426 1
1 859 . 19 1 1 A 64 64 SER CB C 64 65.484 63.632 1.852 1
1 860 . 19 1 1 A 64 64 SER N N 64 116.128 116.352 -0.224 1
1 861 . 19 1 1 A 65 65 TYR H H 65 9.054 9.187 -0.133 1
1 862 . 19 1 1 A 65 65 TYR HA H 65 4.059 4.115 -0.056 1
1 869 . 19 1 1 A 65 65 TYR C C 65 176.918 177.791 -0.873 1
1 870 . 19 1 1 A 65 65 TYR CA C 65 61.906 62.512 -0.606 1
1 871 . 19 1 1 A 65 65 TYR CB C 65 38.185 38.713 -0.528 1
1 874 . 19 1 1 A 65 65 TYR N N 65 121.679 127.409 -5.730 1
1 875 . 19 1 1 A 66 66 GLU H H 66 8.965 8.234 0.731 1
1 876 . 19 1 1 A 66 66 GLU HA H 66 3.888 3.941 -0.053 1
1 881 . 19 1 1 A 66 66 GLU C C 66 178.764 179.044 -0.280 1
1 882 . 19 1 1 A 66 66 GLU CA C 66 59.329 58.999 0.330 1
1 883 . 19 1 1 A 66 66 GLU CB C 66 28.874 29.458 -0.584 1
1 885 . 19 1 1 A 66 66 GLU N N 66 117.723 119.235 -1.512 1
1 886 . 19 1 1 A 67 67 THR H H 67 7.626 8.127 -0.501 1
1 887 . 19 1 1 A 67 67 THR HA H 67 3.864 4.095 -0.231 1
1 892 . 19 1 1 A 67 67 THR C C 67 176.681 176.409 0.272 1
1 893 . 19 1 1 A 67 67 THR CA C 67 66.368 67.062 -0.694 1
1 894 . 19 1 1 A 67 67 THR CB C 67 68.290 68.121 0.169 1
1 896 . 19 1 1 A 67 67 THR N N 67 116.084 116.964 -0.880 1
1 897 . 19 1 1 A 68 68 ILE H H 68 8.324 8.158 0.166 1
1 898 . 19 1 1 A 68 68 ILE HA H 68 3.686 3.854 -0.168 1
1 908 . 19 1 1 A 68 68 ILE C C 68 176.527 177.524 -0.997 1
1 909 . 19 1 1 A 68 68 ILE CA C 68 65.205 62.726 2.479 1
1 910 . 19 1 1 A 68 68 ILE CB C 68 38.355 37.692 0.663 1
1 914 . 19 1 1 A 68 68 ILE N N 68 123.174 120.474 2.700 1
1 915 . 19 1 1 A 69 69 ARG H H 69 8.407 7.873 0.534 1
1 916 . 19 1 1 A 69 69 ARG HA H 69 3.673 3.684 -0.011 1
1 923 . 19 1 1 A 69 69 ARG C C 69 179.687 178.326 1.361 1
1 924 . 19 1 1 A 69 69 ARG CA C 69 59.577 59.518 0.059 1
1 925 . 19 1 1 A 69 69 ARG CB C 69 29.560 29.372 0.188 1
1 928 . 19 1 1 A 69 69 ARG N N 69 121.358 121.475 -0.117 1
1 929 . 19 1 1 A 70 70 LYS H H 70 7.562 7.552 0.010 1
1 930 . 19 1 1 A 70 70 LYS HA H 70 3.617 3.732 -0.115 1
1 939 . 19 1 1 A 70 70 LYS C C 70 177.129 178.044 -0.915 1
1 940 . 19 1 1 A 70 70 LYS CA C 70 59.380 58.935 0.445 1
1 941 . 19 1 1 A 70 70 LYS CB C 70 31.978 31.804 0.174 1
1 945 . 19 1 1 A 70 70 LYS N N 70 120.218 119.385 0.833 1
1 946 . 19 1 1 A 71 71 LEU H H 71 7.640 8.250 -0.610 1
1 947 . 19 1 1 A 71 71 LEU HA H 71 3.629 3.948 -0.319 1
1 957 . 19 1 1 A 71 71 LEU C C 71 178.157 178.299 -0.142 1
1 958 . 19 1 1 A 71 71 LEU CA C 71 58.477 58.327 0.150 1
1 959 . 19 1 1 A 71 71 LEU CB C 71 41.262 41.471 -0.209 1
1 963 . 19 1 1 A 71 71 LEU N N 71 119.991 120.591 -0.600 1
1 964 . 19 1 1 A 72 72 ASN H H 72 8.474 8.440 0.034 1
1 965 . 19 1 1 A 72 72 ASN HA H 72 4.485 4.446 0.039 1
1 970 . 19 1 1 A 72 72 ASN C C 72 176.285 177.630 -1.345 1
1 971 . 19 1 1 A 72 72 ASN CA C 72 56.424 56.900 -0.476 1
1 972 . 19 1 1 A 72 72 ASN CB C 72 39.544 39.477 0.067 1
1 973 . 19 1 1 A 72 72 ASN N N 72 114.097 117.410 -3.313 1
1 975 . 19 1 1 A 73 73 SER H H 73 7.878 8.089 -0.211 1
1 976 . 19 1 1 A 73 73 SER HA H 73 4.177 4.187 -0.010 1
1 979 . 19 1 1 A 73 73 SER C C 73 176.734 176.524 0.210 1
1 980 . 19 1 1 A 73 73 SER CA C 73 61.741 62.317 -0.576 1
1 981 . 19 1 1 A 73 73 SER CB C 73 62.573 63.326 -0.753 1
1 982 . 19 1 1 A 73 73 SER N N 73 115.022 116.322 -1.300 1
1 983 . 19 1 1 A 74 74 TYR H H 74 8.078 7.516 0.562 1
1 984 . 19 1 1 A 74 74 TYR HA H 74 5.168 4.650 0.518 1
1 991 . 19 1 1 A 74 74 TYR C C 74 178.436 178.493 -0.057 1
1 992 . 19 1 1 A 74 74 TYR CA C 74 58.023 61.293 -3.270 1
1 993 . 19 1 1 A 74 74 TYR CB C 74 37.835 38.838 -1.003 1
1 996 . 19 1 1 A 74 74 TYR N N 74 122.937 120.154 2.783 1
1 997 . 19 1 1 A 75 75 ILE H H 75 8.264 8.493 -0.229 1
1 998 . 19 1 1 A 75 75 ILE HA H 75 3.647 3.921 -0.274 1
1 1008 . 19 1 1 A 75 75 ILE C C 75 177.656 178.086 -0.430 1
1 1009 . 19 1 1 A 75 75 ILE CA C 75 66.349 65.903 0.446 1
1 1010 . 19 1 1 A 75 75 ILE CB C 75 37.494 37.850 -0.356 1
1 1014 . 19 1 1 A 75 75 ILE N N 75 119.080 120.224 -1.144 1
1 1015 . 19 1 1 A 76 76 ARG H H 76 9.316 8.396 0.920 1
1 1016 . 19 1 1 A 76 76 ARG HA H 76 3.896 3.993 -0.097 1
1 1024 . 19 1 1 A 76 76 ARG C C 76 179.033 178.827 0.206 1
1 1025 . 19 1 1 A 76 76 ARG CA C 76 60.536 60.042 0.494 1
1 1026 . 19 1 1 A 76 76 ARG CB C 76 30.238 29.887 0.351 1
1 1029 . 19 1 1 A 76 76 ARG N N 76 121.985 121.181 0.804 1
1 1031 . 19 1 1 A 77 77 ASN H H 77 8.003 8.103 -0.100 1
1 1032 . 19 1 1 A 77 77 ASN HA H 77 4.605 4.460 0.145 1
1 1037 . 19 1 1 A 77 77 ASN C C 77 177.146 177.507 -0.361 1
1 1038 . 19 1 1 A 77 77 ASN CA C 77 55.755 56.408 -0.653 1
1 1039 . 19 1 1 A 77 77 ASN CB C 77 38.857 38.541 0.316 1
1 1040 . 19 1 1 A 77 77 ASN N N 77 117.750 117.808 -0.058 1
1 1042 . 19 1 1 A 78 78 ALA H H 78 8.082 7.666 0.416 1
1 1043 . 19 1 1 A 78 78 ALA HA H 78 2.351 2.593 -0.242 1
1 1047 . 19 1 1 A 78 78 ALA C C 78 181.084 179.521 1.563 1
1 1048 . 19 1 1 A 78 78 ALA CA C 78 54.703 54.362 0.341 1
1 1049 . 19 1 1 A 78 78 ALA CB C 78 16.121 17.686 -1.565 1
1 1050 . 19 1 1 A 78 78 ALA N N 78 124.770 122.842 1.928 1
1 1051 . 19 1 1 A 79 79 PHE H H 79 8.603 8.024 0.579 1
1 1052 . 19 1 1 A 79 79 PHE HA H 79 3.974 4.222 -0.248 1
1 1060 . 19 1 1 A 79 79 PHE C C 79 177.841 177.833 0.008 1
1 1061 . 19 1 1 A 79 79 PHE CA C 79 63.302 61.780 1.522 1
1 1062 . 19 1 1 A 79 79 PHE CB C 79 40.594 38.500 2.094 1
1 1066 . 19 1 1 A 79 79 PHE N N 79 116.847 115.636 1.211 1
1 1067 . 19 1 1 A 80 80 ASP H H 80 8.298 8.415 -0.117 1
1 1068 . 19 1 1 A 80 80 ASP HA H 80 4.620 4.312 0.308 1
1 1071 . 19 1 1 A 80 80 ASP C C 80 179.845 178.044 1.801 1
1 1072 . 19 1 1 A 80 80 ASP CA C 80 57.957 57.803 0.154 1
1 1073 . 19 1 1 A 80 80 ASP CB C 80 39.595 42.096 -2.501 1
1 1074 . 19 1 1 A 80 80 ASP N N 80 121.362 119.990 1.372 1
1 1075 . 19 1 1 A 81 81 ASP H H 81 8.051 8.084 -0.033 1
1 1076 . 19 1 1 A 81 81 ASP HA H 81 4.724 4.339 0.385 1
1 1079 . 19 1 1 A 81 81 ASP C C 81 177.963 178.105 -0.142 1
1 1080 . 19 1 1 A 81 81 ASP CA C 81 57.537 57.463 0.074 1
1 1081 . 19 1 1 A 81 81 ASP CB C 81 39.463 41.262 -1.799 1
1 1082 . 19 1 1 A 81 81 ASP N N 81 122.166 119.332 2.834 1
1 1083 . 19 1 1 A 82 82 ALA H H 82 8.025 7.724 0.301 1
1 1084 . 19 1 1 A 82 82 ALA HA H 82 4.106 4.287 -0.181 1
1 1088 . 19 1 1 A 82 82 ALA C C 82 180.223 179.668 0.555 1
1 1089 . 19 1 1 A 82 82 ALA CA C 82 55.194 55.236 -0.042 1
1 1090 . 19 1 1 A 82 82 ALA CB C 82 17.947 18.130 -0.183 1
1 1091 . 19 1 1 A 82 82 ALA N N 82 124.747 121.446 3.301 1
1 1092 . 19 1 1 A 83 83 ILE H H 83 8.327 8.381 -0.054 1
1 1093 . 19 1 1 A 83 83 ILE HA H 83 4.235 3.989 0.246 1
1 1103 . 19 1 1 A 83 83 ILE C C 83 180.768 177.964 2.804 1
1 1104 . 19 1 1 A 83 83 ILE CA C 83 63.966 63.514 0.452 1
1 1105 . 19 1 1 A 83 83 ILE CB C 83 38.254 37.956 0.298 1
1 1109 . 19 1 1 A 83 83 ILE N N 83 120.907 119.008 1.899 1
1 1110 . 19 1 1 A 84 84 HIS H H 84 7.934 8.196 -0.262 1
1 1111 . 19 1 1 A 84 84 HIS HA H 84 4.434 4.316 0.118 1
1 1116 . 19 1 1 A 84 84 HIS C C 84 178.250 177.752 0.498 1
1 1117 . 19 1 1 A 84 84 HIS CA C 84 59.042 59.230 -0.188 1
1 1118 . 19 1 1 A 84 84 HIS CB C 84 28.750 29.910 -1.160 1
1 1121 . 19 1 1 A 84 84 HIS N N 84 121.346 121.071 0.275 1
1 1124 . 19 1 1 A 85 85 GLU H H 85 8.074 7.837 0.237 1
1 1125 . 19 1 1 A 85 85 GLU HA H 85 4.192 4.334 -0.142 1
1 1130 . 19 1 1 A 85 85 GLU C C 85 176.510 176.930 -0.420 1
1 1131 . 19 1 1 A 85 85 GLU CA C 85 56.512 57.962 -1.450 1
1 1132 . 19 1 1 A 85 85 GLU CB C 85 30.284 30.530 -0.246 1
1 1134 . 19 1 1 A 85 85 GLU N N 85 115.467 120.717 -5.250 1
1 1135 . 19 1 1 A 86 86 GLY H H 86 7.715 7.629 0.086 1
1 1136 . 19 1 1 A 86 86 GLY HA2 H 86 3.844 4.020 -0.176 1
1 1137 . 19 1 1 A 86 86 GLY HA3 H 86 4.136 4.024 0.112 1
1 1138 . 19 1 1 A 86 86 GLY C C 86 175.243 174.299 0.944 1
1 1139 . 19 1 1 A 86 86 GLY CA C 86 45.108 46.157 -1.049 1
1 1140 . 19 1 1 A 86 86 GLY N N 86 105.999 108.244 -2.245 1
1 1141 . 19 1 1 A 87 87 TYR H H 87 8.173 8.226 -0.053 1
1 1142 . 19 1 1 A 87 87 TYR HA H 87 4.396 4.448 -0.052 1
1 1149 . 19 1 1 A 87 87 TYR CA C 87 59.317 59.319 -0.002 1
1 1150 . 19 1 1 A 87 87 TYR CB C 87 39.558 39.493 0.065 1
1 1153 . 19 1 1 A 87 87 TYR N N 87 118.412 121.317 -2.905 1
1 1154 . 19 1 1 A 88 88 VAL HA H 88 4.583 4.256 0.327 1
1 1162 . 19 1 1 A 88 88 VAL CB C 88 36.112 34.718 1.394 1
1 1165 . 19 1 1 A 89 89 ILE HA H 89 4.426 4.251 0.175 1
1 1175 . 19 1 1 A 89 89 ILE CA C 89 61.984 60.053 1.931 1
1 1176 . 19 1 1 A 89 89 ILE CB C 89 39.850 38.979 0.871 1
1 1180 . 19 1 1 A 90 90 LYS H H 90 7.387 8.313 -0.926 1
1 1181 . 19 1 1 A 90 90 LYS HA H 90 4.508 4.282 0.226 1
1 1190 . 19 1 1 A 90 90 LYS C C 90 174.665 175.543 -0.878 1
1 1191 . 19 1 1 A 90 90 LYS CA C 90 54.111 55.727 -1.616 1
1 1192 . 19 1 1 A 90 90 LYS CB C 90 35.086 31.399 3.687 1
1 1196 . 19 1 1 A 91 91 ASN H H 91 8.803 7.839 0.964 1
1 1197 . 19 1 1 A 91 91 ASN HA H 91 4.279 4.368 -0.089 1
1 1202 . 19 1 1 A 91 91 ASN CB C 91 38.879 37.242 1.637 1
1 1203 . 19 1 1 A 91 91 ASN N N 91 120.903 112.994 7.909 1
1 1205 . 19 1 1 A 92 92 PRO HA H 92 4.206 4.456 -0.250 1
1 1212 . 19 1 1 A 92 92 PRO C C 92 174.751 176.397 -1.646 1
1 1213 . 19 1 1 A 92 92 PRO CA C 92 63.927 63.488 0.439 1
1 1214 . 19 1 1 A 92 92 PRO CB C 92 30.969 31.972 -1.003 1
1 1217 . 19 1 1 A 93 93 THR H H 93 7.441 7.515 -0.074 1
1 1218 . 19 1 1 A 93 93 THR HA H 93 4.093 4.572 -0.479 1
1 1224 . 19 1 1 A 93 93 THR C C 93 175.922 174.567 1.355 1
1 1225 . 19 1 1 A 93 93 THR CA C 93 62.221 61.730 0.491 1
1 1226 . 19 1 1 A 93 93 THR CB C 93 69.463 68.476 0.987 1
1 1228 . 19 1 1 A 93 93 THR N N 93 105.991 111.425 -5.434 1
1 1229 . 19 1 1 A 94 94 TYR H H 94 7.139 7.818 -0.679 1
1 1230 . 19 1 1 A 94 94 TYR HA H 94 4.393 4.150 0.243 1
1 1237 . 19 1 1 A 94 94 TYR C C 94 176.180 177.309 -1.129 1
1 1238 . 19 1 1 A 94 94 TYR CA C 94 58.272 61.083 -2.811 1
1 1239 . 19 1 1 A 94 94 TYR CB C 94 37.490 38.951 -1.461 1
1 1242 . 19 1 1 A 94 94 TYR N N 94 124.098 122.848 1.250 1
1 1243 . 19 1 1 A 95 95 LYS H H 95 8.904 8.114 0.790 1
1 1244 . 19 1 1 A 95 95 LYS HA H 95 3.758 4.367 -0.609 1
1 1253 . 19 1 1 A 95 95 LYS C C 95 175.547 176.337 -0.790 1
1 1254 . 19 1 1 A 95 95 LYS CA C 95 57.078 55.644 1.434 1
1 1255 . 19 1 1 A 95 95 LYS CB C 95 29.962 31.967 -2.005 1
1 1259 . 19 1 1 A 95 95 LYS N N 95 121.317 115.739 5.578 1
1 1260 . 19 1 1 A 96 96 ALA H H 96 7.583 7.564 0.019 1
1 1261 . 19 1 1 A 96 96 ALA HA H 96 4.157 4.447 -0.290 1
1 1265 . 19 1 1 A 96 96 ALA C C 96 177.630 176.578 1.052 1
1 1266 . 19 1 1 A 96 96 ALA CA C 96 53.298 51.759 1.539 1
1 1267 . 19 1 1 A 96 96 ALA CB C 96 18.807 18.906 -0.099 1
1 1268 . 19 1 1 A 96 96 ALA N N 96 121.832 123.509 -1.677 1
1 1269 . 19 1 1 A 97 97 GLU H H 97 9.243 8.604 0.639 1
1 1270 . 19 1 1 A 97 97 GLU HA H 97 4.347 4.838 -0.491 1
1 1275 . 19 1 1 A 97 97 GLU C C 97 175.890 176.051 -0.161 1
1 1276 . 19 1 1 A 97 97 GLU CA C 97 55.198 54.770 0.428 1
1 1277 . 19 1 1 A 97 97 GLU CB C 97 30.931 31.434 -0.503 1
1 1279 . 19 1 1 A 97 97 GLU N N 97 121.989 124.233 -2.244 1
1 1280 . 19 1 1 A 98 98 LEU H H 98 8.401 8.682 -0.281 1
1 1281 . 19 1 1 A 98 98 LEU HA H 98 4.277 4.689 -0.412 1
1 1291 . 19 1 1 A 98 98 LEU C C 98 175.738 175.168 0.570 1
1 1292 . 19 1 1 A 98 98 LEU CA C 98 54.337 54.062 0.275 1
1 1293 . 19 1 1 A 98 98 LEU CB C 98 41.634 41.492 0.142 1
1 1297 . 19 1 1 A 98 98 LEU N N 98 123.414 123.885 -0.471 1
1 1298 . 19 1 1 A 99 99 HIS H H 99 8.749 9.005 -0.256 1
1 1299 . 19 1 1 A 99 99 HIS HA H 99 4.706 5.138 -0.432 1
1 1304 . 19 1 1 A 99 99 HIS C C 99 173.912 173.436 0.476 1
1 1305 . 19 1 1 A 99 99 HIS CA C 99 55.183 53.866 1.317 1
1 1306 . 19 1 1 A 99 99 HIS CB C 99 29.916 30.967 -1.051 1
1 1309 . 19 1 1 A 99 99 HIS N N 99 121.129 125.411 -4.282 1
1 1312 . 19 1 1 A 100 100 ALA H H 100 8.369 8.882 -0.513 1
1 1313 . 19 1 1 A 100 100 ALA HA H 100 4.518 5.174 -0.656 1
1 1317 . 19 1 1 A 100 100 ALA C C 100 177.533 177.066 0.467 1
1 1318 . 19 1 1 A 100 100 ALA CA C 100 51.753 50.582 1.171 1
1 1319 . 19 1 1 A 100 100 ALA CB C 100 20.081 20.683 -0.602 1
1 1320 . 19 1 1 A 100 100 ALA N N 100 125.646 130.053 -4.407 1
1 1321 . 19 1 1 A 101 101 SER H H 101 8.357 8.378 -0.021 1
1 1322 . 19 1 1 A 101 101 SER HA H 101 4.452 4.705 -0.253 1
1 1325 . 19 1 1 A 101 101 SER C C 101 174.729 174.004 0.725 1
1 1326 . 19 1 1 A 101 101 SER CA C 101 58.781 57.953 0.828 1
1 1327 . 19 1 1 A 101 101 SER CB C 101 63.865 63.478 0.387 1
1 1328 . 19 1 1 A 101 101 SER N N 101 115.505 119.063 -3.558 1
1 1329 . 19 1 1 A 102 102 VAL H H 102 7.884 7.434 0.450 1
1 1330 . 19 1 1 A 102 102 VAL HA H 102 4.111 4.154 -0.043 1
1 1338 . 19 1 1 A 102 102 VAL C C 102 175.837 175.200 0.637 1
1 1339 . 19 1 1 A 102 102 VAL CA C 102 62.237 62.424 -0.187 1
1 1340 . 19 1 1 A 102 102 VAL CB C 102 32.336 30.712 1.624 1
1 1343 . 19 1 1 A 102 102 VAL N N 102 120.880 122.229 -1.349 1
1 1344 . 19 1 1 A 103 103 LEU H H 103 8.170 8.224 -0.054 1
1 1345 . 19 1 1 A 103 103 LEU HA H 103 4.299 4.828 -0.529 1
1 1355 . 19 1 1 A 103 103 LEU C C 103 177.129 176.373 0.756 1
1 1356 . 19 1 1 A 103 103 LEU CA C 103 54.999 53.045 1.954 1
1 1357 . 19 1 1 A 103 103 LEU CB C 103 42.276 44.847 -2.571 1
1 1361 . 19 1 1 A 103 103 LEU N N 103 124.757 127.683 -2.926 1
1 1362 . 19 1 1 A 104 104 GLU H H 104 8.244 8.809 -0.565 1
1 1363 . 19 1 1 A 104 104 GLU HA H 104 4.175 4.305 -0.130 1
1 1368 . 19 1 1 A 104 104 GLU C C 104 176.153 176.468 -0.315 1
1 1369 . 19 1 1 A 104 104 GLU CA C 104 56.413 58.395 -1.982 1
1 1370 . 19 1 1 A 104 104 GLU CB C 104 30.270 30.726 -0.456 1
1 1372 . 19 1 1 A 104 104 GLU N N 104 121.146 125.462 -4.316 1
1 1373 . 19 1 1 A 105 105 HIS H H 105 8.242 7.719 0.523 1
1 1376 . 19 1 1 A 105 105 HIS C C 105 174.967 174.428 0.539 1
1 1377 . 19 1 1 A 105 105 HIS CA C 105 56.137 53.989 2.148 1
1 1378 . 19 1 1 A 105 105 HIS CB C 105 30.290 32.166 -1.876 1
1 13 . 20 1 1 A 2 2 ILE HA H 2 4.615 4.515 0.100 1
1 23 . 20 1 1 A 2 2 ILE C C 2 175.630 175.725 -0.095 1
1 24 . 20 1 1 A 2 2 ILE CA C 2 60.619 60.403 0.216 1
1 25 . 20 1 1 A 2 2 ILE CB C 2 40.542 39.842 0.700 1
1 29 . 20 1 1 A 3 3 THR H H 3 9.133 8.518 0.615 1
1 30 . 20 1 1 A 3 3 THR HA H 3 4.656 4.608 0.048 1
1 36 . 20 1 1 A 3 3 THR C C 3 174.729 175.533 -0.804 1
1 37 . 20 1 1 A 3 3 THR CA C 3 61.509 61.273 0.236 1
1 38 . 20 1 1 A 3 3 THR CB C 3 69.896 70.231 -0.335 1
1 40 . 20 1 1 A 3 3 THR N N 3 119.091 117.666 1.425 1
1 41 . 20 1 1 A 4 4 PHE H H 4 8.642 9.096 -0.454 1
1 42 . 20 1 1 A 4 4 PHE HA H 4 4.576 4.156 0.420 1
1 50 . 20 1 1 A 4 4 PHE C C 4 176.302 177.375 -1.073 1
1 51 . 20 1 1 A 4 4 PHE CA C 4 58.368 62.584 -4.216 1
1 52 . 20 1 1 A 4 4 PHE CB C 4 37.526 39.271 -1.745 1
1 56 . 20 1 1 A 4 4 PHE N N 4 122.510 122.992 -0.482 1
1 57 . 20 1 1 A 5 5 ALA H H 5 9.195 8.359 0.836 1
1 58 . 20 1 1 A 5 5 ALA HA H 5 3.692 4.046 -0.354 1
1 62 . 20 1 1 A 5 5 ALA C C 5 178.210 180.369 -2.159 1
1 63 . 20 1 1 A 5 5 ALA CA C 5 56.073 55.220 0.853 1
1 64 . 20 1 1 A 5 5 ALA CB C 5 17.897 18.268 -0.371 1
1 65 . 20 1 1 A 5 5 ALA N N 5 120.106 121.187 -1.081 1
1 66 . 20 1 1 A 6 6 ASP H H 6 7.978 8.311 -0.333 1
1 67 . 20 1 1 A 6 6 ASP HA H 6 4.615 4.464 0.151 1
1 70 . 20 1 1 A 6 6 ASP C C 6 179.370 178.671 0.699 1
1 71 . 20 1 1 A 6 6 ASP CA C 6 57.369 57.341 0.028 1
1 72 . 20 1 1 A 6 6 ASP CB C 6 39.556 40.475 -0.919 1
1 73 . 20 1 1 A 6 6 ASP N N 6 115.486 118.797 -3.311 1
1 74 . 20 1 1 A 7 7 TYR H H 7 8.776 8.159 0.617 1
1 75 . 20 1 1 A 7 7 TYR HA H 7 3.984 4.305 -0.321 1
1 82 . 20 1 1 A 7 7 TYR C C 7 176.232 177.310 -1.078 1
1 83 . 20 1 1 A 7 7 TYR CA C 7 62.241 61.445 0.796 1
1 84 . 20 1 1 A 7 7 TYR CB C 7 38.521 38.326 0.195 1
1 87 . 20 1 1 A 7 7 TYR N N 7 120.885 122.681 -1.796 1
1 88 . 20 1 1 A 8 8 PHE H H 8 9.024 8.488 0.536 1
1 89 . 20 1 1 A 8 8 PHE HA H 8 3.732 3.792 -0.060 1
1 97 . 20 1 1 A 8 8 PHE C C 8 176.261 176.771 -0.510 1
1 98 . 20 1 1 A 8 8 PHE CA C 8 62.936 61.749 1.187 1
1 99 . 20 1 1 A 8 8 PHE CB C 8 39.553 38.577 0.976 1
1 103 . 20 1 1 A 8 8 PHE N N 8 118.754 120.385 -1.631 1
1 104 . 20 1 1 A 9 9 TYR H H 9 8.202 8.072 0.130 1
1 105 . 20 1 1 A 9 9 TYR HA H 9 3.742 3.962 -0.220 1
1 112 . 20 1 1 A 9 9 TYR C C 9 176.496 177.993 -1.497 1
1 113 . 20 1 1 A 9 9 TYR CA C 9 62.939 61.284 1.655 1
1 114 . 20 1 1 A 9 9 TYR CB C 9 37.941 38.007 -0.066 1
1 117 . 20 1 1 A 9 9 TYR N N 9 117.271 120.133 -2.862 1
1 118 . 20 1 1 A 10 10 GLN H H 10 8.029 8.131 -0.102 1
1 119 . 20 1 1 A 10 10 GLN HA H 10 3.928 3.947 -0.019 1
1 126 . 20 1 1 A 10 10 GLN C C 10 177.393 178.137 -0.744 1
1 127 . 20 1 1 A 10 10 GLN CA C 10 58.717 58.578 0.139 1
1 128 . 20 1 1 A 10 10 GLN CB C 10 28.482 27.868 0.614 1
1 130 . 20 1 1 A 10 10 GLN N N 10 117.935 117.622 0.313 1
1 132 . 20 1 1 A 11 11 TRP H H 11 8.772 8.049 0.723 1
1 133 . 20 1 1 A 11 11 TRP HA H 11 3.690 4.080 -0.390 1
1 142 . 20 1 1 A 11 11 TRP C C 11 178.487 177.583 0.904 1
1 143 . 20 1 1 A 11 11 TRP CA C 11 61.256 60.581 0.675 1
1 144 . 20 1 1 A 11 11 TRP CB C 11 27.472 29.084 -1.612 1
1 150 . 20 1 1 A 11 11 TRP N N 11 121.577 121.841 -0.264 1
1 152 . 20 1 1 A 12 12 TYR H H 12 8.168 7.869 0.299 1
1 153 . 20 1 1 A 12 12 TYR HA H 12 2.938 3.337 -0.399 1
1 160 . 20 1 1 A 12 12 TYR C C 12 177.277 176.946 0.331 1
1 161 . 20 1 1 A 12 12 TYR CA C 12 59.178 61.013 -1.835 1
1 162 . 20 1 1 A 12 12 TYR CB C 12 36.729 37.922 -1.193 1
1 165 . 20 1 1 A 12 12 TYR N N 12 121.811 120.811 1.000 1
1 166 . 20 1 1 A 13 13 GLU H H 13 8.434 8.195 0.239 1
1 167 . 20 1 1 A 13 13 GLU HA H 13 2.996 3.357 -0.361 1
1 172 . 20 1 1 A 13 13 GLU C C 13 177.157 178.931 -1.774 1
1 173 . 20 1 1 A 13 13 GLU CA C 13 59.164 58.908 0.256 1
1 174 . 20 1 1 A 13 13 GLU CB C 13 29.447 29.150 0.297 1
1 176 . 20 1 1 A 13 13 GLU N N 13 123.599 119.147 4.452 1
1 177 . 20 1 1 A 14 14 VAL H H 14 7.605 7.794 -0.189 1
1 178 . 20 1 1 A 14 14 VAL HA H 14 3.562 3.450 0.112 1
1 186 . 20 1 1 A 14 14 VAL C C 14 177.289 176.996 0.293 1
1 187 . 20 1 1 A 14 14 VAL CA C 14 64.338 66.006 -1.668 1
1 188 . 20 1 1 A 14 14 VAL CB C 14 32.669 31.410 1.259 1
1 191 . 20 1 1 A 14 14 VAL N N 14 113.566 119.565 -5.999 1
1 192 . 20 1 1 A 15 15 ASN H H 15 7.482 7.329 0.153 1
1 193 . 20 1 1 A 15 15 ASN HA H 15 4.429 4.580 -0.151 1
1 198 . 20 1 1 A 15 15 ASN C C 15 175.201 174.570 0.631 1
1 199 . 20 1 1 A 15 15 ASN CA C 15 55.218 54.246 0.972 1
1 200 . 20 1 1 A 15 15 ASN CB C 15 39.927 39.367 0.560 1
1 201 . 20 1 1 A 15 15 ASN N N 15 112.195 117.076 -4.881 1
1 203 . 20 1 1 A 16 16 LYS H H 16 7.413 7.267 0.146 1
1 204 . 20 1 1 A 16 16 LYS HA H 16 4.338 4.328 0.010 1
1 213 . 20 1 1 A 16 16 LYS C C 16 175.309 175.449 -0.140 1
1 214 . 20 1 1 A 16 16 LYS CA C 16 54.807 55.009 -0.202 1
1 215 . 20 1 1 A 16 16 LYS CB C 16 32.665 31.399 1.266 1
1 219 . 20 1 1 A 16 16 LYS N N 16 115.814 118.030 -2.216 1
1 220 . 20 1 1 A 17 17 LEU H H 17 7.490 8.575 -1.085 1
1 221 . 20 1 1 A 17 17 LEU HA H 17 3.603 4.113 -0.510 1
1 231 . 20 1 1 A 17 17 LEU C C 17 173.754 177.040 -3.286 1
1 232 . 20 1 1 A 17 17 LEU CA C 17 59.847 55.821 4.026 1
1 233 . 20 1 1 A 17 17 LEU CB C 17 39.552 43.949 -4.397 1
1 237 . 20 1 1 A 17 17 LEU N N 17 121.586 125.861 -4.275 1
1 238 . 20 1 1 A 18 18 PRO HA H 18 4.107 4.194 -0.087 1
1 245 . 20 1 1 A 18 18 PRO C C 18 176.412 177.137 -0.725 1
1 246 . 20 1 1 A 18 18 PRO CA C 18 64.656 64.832 -0.176 1
1 247 . 20 1 1 A 18 18 PRO CB C 18 30.980 31.073 -0.093 1
1 250 . 20 1 1 A 19 19 HIS H H 19 7.631 7.839 -0.208 1
1 251 . 20 1 1 A 19 19 HIS HA H 19 4.857 4.477 0.380 1
1 256 . 20 1 1 A 19 19 HIS C C 19 175.822 175.078 0.744 1
1 257 . 20 1 1 A 19 19 HIS CA C 19 55.004 56.569 -1.565 1
1 258 . 20 1 1 A 19 19 HIS CB C 19 32.358 30.351 2.007 1
1 260 . 20 1 1 A 19 19 HIS N N 19 111.190 114.879 -3.689 1
1 263 . 20 1 1 A 20 20 VAL H H 20 7.124 6.963 0.161 1
1 264 . 20 1 1 A 20 20 VAL HA H 20 4.728 4.834 -0.106 1
1 272 . 20 1 1 A 20 20 VAL C C 20 175.497 175.179 0.318 1
1 273 . 20 1 1 A 20 20 VAL CA C 20 60.134 58.950 1.184 1
1 274 . 20 1 1 A 20 20 VAL CB C 20 34.199 35.087 -0.888 1
1 277 . 20 1 1 A 20 20 VAL N N 20 112.191 113.767 -1.576 1
1 278 . 20 1 1 A 21 21 SER H H 21 8.589 8.868 -0.279 1
1 279 . 20 1 1 A 21 21 SER HA H 21 4.531 4.722 -0.191 1
1 282 . 20 1 1 A 21 21 SER C C 21 174.840 175.092 -0.252 1
1 283 . 20 1 1 A 21 21 SER CA C 21 57.236 57.098 0.138 1
1 284 . 20 1 1 A 21 21 SER CB C 21 65.251 65.821 -0.570 1
1 285 . 20 1 1 A 21 21 SER N N 21 116.825 118.199 -1.374 1
1 286 . 20 1 1 A 22 22 GLU H H 22 8.964 9.122 -0.158 1
1 287 . 20 1 1 A 22 22 GLU HA H 22 3.922 4.195 -0.273 1
1 292 . 20 1 1 A 22 22 GLU C C 22 178.606 178.741 -0.135 1
1 293 . 20 1 1 A 22 22 GLU CA C 22 59.837 59.512 0.325 1
1 294 . 20 1 1 A 22 22 GLU CB C 22 29.239 29.235 0.004 1
1 296 . 20 1 1 A 22 22 GLU N N 22 120.863 124.702 -3.839 1
1 297 . 20 1 1 A 23 23 SER H H 23 8.426 7.975 0.451 1
1 298 . 20 1 1 A 23 23 SER HA H 23 4.151 4.323 -0.172 1
1 301 . 20 1 1 A 23 23 SER C C 23 176.977 177.327 -0.350 1
1 302 . 20 1 1 A 23 23 SER CA C 23 61.220 61.496 -0.276 1
1 303 . 20 1 1 A 23 23 SER CB C 23 62.252 63.105 -0.853 1
1 304 . 20 1 1 A 23 23 SER N N 23 112.196 116.063 -3.867 1
1 305 . 20 1 1 A 24 24 THR H H 24 7.749 8.111 -0.362 1
1 306 . 20 1 1 A 24 24 THR HA H 24 4.163 4.330 -0.167 1
1 311 . 20 1 1 A 24 24 THR C C 24 176.523 177.526 -1.003 1
1 312 . 20 1 1 A 24 24 THR CA C 24 66.045 66.820 -0.775 1
1 313 . 20 1 1 A 24 24 THR CB C 24 68.305 68.559 -0.254 1
1 315 . 20 1 1 A 24 24 THR N N 24 120.348 117.629 2.719 1
1 316 . 20 1 1 A 25 25 LYS H H 25 8.605 8.242 0.363 1
1 317 . 20 1 1 A 25 25 LYS HA H 25 4.064 4.433 -0.369 1
1 326 . 20 1 1 A 25 25 LYS C C 25 178.447 179.236 -0.789 1
1 327 . 20 1 1 A 25 25 LYS CA C 25 61.087 60.018 1.069 1
1 328 . 20 1 1 A 25 25 LYS CB C 25 32.717 32.261 0.456 1
1 332 . 20 1 1 A 25 25 LYS N N 25 123.593 120.771 2.822 1
1 333 . 20 1 1 A 26 26 ARG H H 26 7.485 8.254 -0.769 1
1 334 . 20 1 1 A 26 26 ARG HA H 26 4.146 3.964 0.182 1
1 341 . 20 1 1 A 26 26 ARG C C 26 179.845 178.942 0.903 1
1 342 . 20 1 1 A 26 26 ARG CA C 26 58.916 59.188 -0.272 1
1 343 . 20 1 1 A 26 26 ARG CB C 26 30.384 29.724 0.660 1
1 346 . 20 1 1 A 26 26 ARG N N 26 114.116 120.563 -6.447 1
1 347 . 20 1 1 A 27 27 HIS H H 27 7.677 7.706 -0.029 1
1 348 . 20 1 1 A 27 27 HIS HA H 27 4.757 4.427 0.330 1
1 353 . 20 1 1 A 27 27 HIS C C 27 179.743 177.295 2.448 1
1 354 . 20 1 1 A 27 27 HIS CA C 27 58.659 59.535 -0.876 1
1 355 . 20 1 1 A 27 27 HIS CB C 27 30.967 30.098 0.869 1
1 358 . 20 1 1 A 27 27 HIS N N 27 119.389 118.216 1.173 1
1 361 . 20 1 1 A 28 28 TYR H H 28 8.119 7.945 0.174 1
1 362 . 20 1 1 A 28 28 TYR HA H 28 4.009 4.084 -0.075 1
1 369 . 20 1 1 A 28 28 TYR C C 28 178.685 178.555 0.130 1
1 370 . 20 1 1 A 28 28 TYR CA C 28 63.311 61.907 1.404 1
1 371 . 20 1 1 A 28 28 TYR CB C 28 38.879 37.355 1.524 1
1 374 . 20 1 1 A 28 28 TYR N N 28 121.786 117.328 4.458 1
1 375 . 20 1 1 A 29 29 GLU H H 29 8.631 9.348 -0.717 1
1 376 . 20 1 1 A 29 29 GLU HA H 29 4.067 4.354 -0.287 1
1 381 . 20 1 1 A 29 29 GLU C C 29 179.950 178.930 1.020 1
1 382 . 20 1 1 A 29 29 GLU CA C 29 59.827 60.068 -0.241 1
1 383 . 20 1 1 A 29 29 GLU CB C 29 29.172 29.524 -0.352 1
1 385 . 20 1 1 A 29 29 GLU N N 29 119.090 120.287 -1.197 1
1 386 . 20 1 1 A 30 30 SER H H 30 8.307 8.295 0.012 1
1 387 . 20 1 1 A 30 30 SER HA H 30 4.467 4.223 0.244 1
1 390 . 20 1 1 A 30 30 SER C C 30 177.445 177.577 -0.132 1
1 391 . 20 1 1 A 30 30 SER CA C 30 61.068 61.854 -0.786 1
1 392 . 20 1 1 A 30 30 SER CB C 30 63.054 63.173 -0.119 1
1 393 . 20 1 1 A 30 30 SER N N 30 115.027 116.483 -1.456 1
1 394 . 20 1 1 A 31 31 ALA H H 31 8.319 8.128 0.191 1
1 395 . 20 1 1 A 31 31 ALA HA H 31 4.070 4.192 -0.122 1
1 399 . 20 1 1 A 31 31 ALA C C 31 178.488 179.473 -0.985 1
1 400 . 20 1 1 A 31 31 ALA CA C 31 55.926 55.151 0.775 1
1 401 . 20 1 1 A 31 31 ALA CB C 31 18.510 19.186 -0.676 1
1 402 . 20 1 1 A 31 31 ALA N N 31 124.966 122.985 1.981 1
1 403 . 20 1 1 A 32 32 TYR H H 32 8.537 8.753 -0.216 1
1 404 . 20 1 1 A 32 32 TYR HA H 32 4.114 4.312 -0.198 1
1 411 . 20 1 1 A 32 32 TYR C C 32 175.705 177.868 -2.163 1
1 412 . 20 1 1 A 32 32 TYR CA C 32 60.480 62.511 -2.031 1
1 413 . 20 1 1 A 32 32 TYR CB C 32 37.864 39.111 -1.247 1
1 416 . 20 1 1 A 32 32 TYR N N 32 116.814 120.202 -3.388 1
1 417 . 20 1 1 A 33 33 LYS H H 33 7.988 8.868 -0.880 1
1 418 . 20 1 1 A 33 33 LYS HA H 33 3.513 3.736 -0.223 1
1 427 . 20 1 1 A 33 33 LYS C C 33 178.474 179.448 -0.974 1
1 428 . 20 1 1 A 33 33 LYS CA C 33 59.810 59.417 0.393 1
1 429 . 20 1 1 A 33 33 LYS CB C 33 32.000 32.066 -0.066 1
1 433 . 20 1 1 A 33 33 LYS N N 33 119.358 117.953 1.405 1
1 434 . 20 1 1 A 34 34 HIS H H 34 8.187 7.554 0.633 1
1 435 . 20 1 1 A 34 34 HIS HA H 34 4.449 4.505 -0.056 1
1 440 . 20 1 1 A 34 34 HIS C C 34 178.948 178.100 0.848 1
1 441 . 20 1 1 A 34 34 HIS CA C 34 60.883 61.270 -0.387 1
1 442 . 20 1 1 A 34 34 HIS CB C 34 28.843 31.643 -2.800 1
1 445 . 20 1 1 A 34 34 HIS N N 34 116.156 118.791 -2.635 1
1 448 . 20 1 1 A 35 35 ILE H H 35 8.676 8.587 0.089 1
1 449 . 20 1 1 A 35 35 ILE HA H 35 3.513 3.528 -0.015 1
1 459 . 20 1 1 A 35 35 ILE C C 35 177.630 178.341 -0.711 1
1 460 . 20 1 1 A 35 35 ILE CA C 35 65.690 65.171 0.519 1
1 461 . 20 1 1 A 35 35 ILE CB C 35 38.481 37.493 0.988 1
1 465 . 20 1 1 A 35 35 ILE N N 35 121.824 120.533 1.291 1
1 466 . 20 1 1 A 36 36 LYS H H 36 8.797 8.574 0.223 1
1 467 . 20 1 1 A 36 36 LYS HA H 36 3.712 3.928 -0.216 1
1 476 . 20 1 1 A 36 36 LYS C C 36 179.397 177.735 1.662 1
1 477 . 20 1 1 A 36 36 LYS CA C 36 59.860 58.885 0.975 1
1 478 . 20 1 1 A 36 36 LYS CB C 36 31.878 31.763 0.115 1
1 482 . 20 1 1 A 36 36 LYS N N 36 121.589 120.560 1.029 1
1 483 . 20 1 1 A 37 37 ASP H H 37 8.246 7.951 0.295 1
1 484 . 20 1 1 A 37 37 ASP HA H 37 4.336 4.279 0.057 1
1 487 . 20 1 1 A 37 37 ASP C C 37 177.234 177.962 -0.728 1
1 488 . 20 1 1 A 37 37 ASP CA C 37 56.932 57.160 -0.228 1
1 489 . 20 1 1 A 37 37 ASP CB C 37 40.576 41.126 -0.550 1
1 490 . 20 1 1 A 37 37 ASP N N 37 118.225 119.325 -1.100 1
1 491 . 20 1 1 A 38 38 HIS H H 38 7.867 7.592 0.275 1
1 492 . 20 1 1 A 38 38 HIS HA H 38 4.284 4.391 -0.107 1
1 496 . 20 1 1 A 38 38 HIS C C 38 176.839 174.867 1.972 1
1 497 . 20 1 1 A 38 38 HIS CA C 38 59.389 57.663 1.726 1
1 498 . 20 1 1 A 38 38 HIS CB C 38 31.630 30.951 0.679 1
1 500 . 20 1 1 A 38 38 HIS N N 38 115.487 115.281 0.206 1
1 501 . 20 1 1 A 39 39 PHE H H 39 9.082 8.695 0.387 1
1 502 . 20 1 1 A 39 39 PHE HA H 39 4.369 5.020 -0.651 1
1 510 . 20 1 1 A 39 39 PHE C C 39 175.890 175.726 0.164 1
1 511 . 20 1 1 A 39 39 PHE CA C 39 60.159 56.069 4.090 1
1 512 . 20 1 1 A 39 39 PHE CB C 39 38.850 38.748 0.102 1
1 516 . 20 1 1 A 39 39 PHE N N 39 114.327 116.565 -2.238 1
1 517 . 20 1 1 A 40 40 ARG H H 40 8.104 8.573 -0.469 1
1 518 . 20 1 1 A 40 40 ARG HA H 40 3.921 4.367 -0.446 1
1 525 . 20 1 1 A 40 40 ARG C C 40 176.892 176.753 0.139 1
1 526 . 20 1 1 A 40 40 ARG CA C 40 58.009 58.341 -0.332 1
1 527 . 20 1 1 A 40 40 ARG CB C 40 27.531 31.148 -3.617 1
1 530 . 20 1 1 A 40 40 ARG N N 40 118.379 125.183 -6.804 1
1 531 . 20 1 1 A 41 41 HIS H H 41 8.589 8.042 0.547 1
1 532 . 20 1 1 A 41 41 HIS HA H 41 4.910 5.024 -0.114 1
1 536 . 20 1 1 A 41 41 HIS C C 41 174.835 173.790 1.045 1
1 537 . 20 1 1 A 41 41 HIS CA C 41 55.473 54.382 1.091 1
1 538 . 20 1 1 A 41 41 HIS CB C 41 29.720 30.034 -0.314 1
1 540 . 20 1 1 A 41 41 HIS N N 41 123.828 115.083 8.745 1
1 541 . 20 1 1 A 42 42 LYS H H 42 8.326 8.838 -0.512 1
1 542 . 20 1 1 A 42 42 LYS HA H 42 4.181 4.896 -0.715 1
1 551 . 20 1 1 A 42 42 LYS C C 42 177.973 175.582 2.391 1
1 552 . 20 1 1 A 42 42 LYS CA C 42 58.201 55.101 3.100 1
1 553 . 20 1 1 A 42 42 LYS CB C 42 33.047 36.060 -3.013 1
1 557 . 20 1 1 A 42 42 LYS N N 42 121.129 126.198 -5.069 1
1 558 . 20 1 1 A 43 43 LEU H H 43 9.243 8.741 0.502 1
1 559 . 20 1 1 A 43 43 LEU HA H 43 4.346 4.441 -0.095 1
1 569 . 20 1 1 A 43 43 LEU C C 43 177.840 178.666 -0.826 1
1 570 . 20 1 1 A 43 43 LEU CA C 43 55.420 55.410 0.010 1
1 571 . 20 1 1 A 43 43 LEU CB C 43 40.936 42.443 -1.507 1
1 575 . 20 1 1 A 43 43 LEU N N 43 124.529 128.344 -3.815 1
1 576 . 20 1 1 A 44 44 LEU H H 44 8.404 8.477 -0.073 1
1 577 . 20 1 1 A 44 44 LEU HA H 44 3.681 4.256 -0.575 1
1 587 . 20 1 1 A 44 44 LEU C C 44 177.962 177.069 0.893 1
1 588 . 20 1 1 A 44 44 LEU CA C 44 58.773 57.273 1.500 1
1 589 . 20 1 1 A 44 44 LEU CB C 44 42.661 41.817 0.844 1
1 593 . 20 1 1 A 44 44 LEU N N 44 123.643 121.903 1.740 1
1 594 . 20 1 1 A 45 45 LYS HA H 45 4.126 4.247 -0.121 1
1 603 . 20 1 1 A 45 45 LYS C C 45 175.533 178.278 -2.745 1
1 604 . 20 1 1 A 45 45 LYS CA C 45 57.405 58.276 -0.871 1
1 605 . 20 1 1 A 45 45 LYS CB C 45 31.650 32.740 -1.090 1
1 609 . 20 1 1 A 46 46 ASP H H 46 7.520 8.166 -0.646 1
1 610 . 20 1 1 A 46 46 ASP HA H 46 4.888 4.680 0.208 1
1 613 . 20 1 1 A 46 46 ASP C C 46 175.811 176.344 -0.533 1
1 614 . 20 1 1 A 46 46 ASP CA C 46 54.268 55.921 -1.653 1
1 615 . 20 1 1 A 46 46 ASP CB C 46 42.178 41.550 0.628 1
1 616 . 20 1 1 A 46 46 ASP N N 46 118.587 119.381 -0.794 1
1 617 . 20 1 1 A 47 47 ILE H H 47 6.965 7.072 -0.107 1
1 618 . 20 1 1 A 47 47 ILE HA H 47 4.048 3.954 0.094 1
1 628 . 20 1 1 A 47 47 ILE C C 47 175.362 175.551 -0.189 1
1 629 . 20 1 1 A 47 47 ILE CA C 47 59.826 62.238 -2.412 1
1 630 . 20 1 1 A 47 47 ILE CB C 47 34.389 37.776 -3.387 1
1 634 . 20 1 1 A 47 47 ILE N N 47 119.126 120.851 -1.725 1
1 635 . 20 1 1 A 48 48 LYS H H 48 8.489 8.518 -0.029 1
1 636 . 20 1 1 A 48 48 LYS HA H 48 4.635 4.723 -0.088 1
1 645 . 20 1 1 A 48 48 LYS C C 48 177.252 176.839 0.413 1
1 646 . 20 1 1 A 48 48 LYS CA C 48 54.357 54.210 0.147 1
1 647 . 20 1 1 A 48 48 LYS CB C 48 34.753 34.838 -0.085 1
1 651 . 20 1 1 A 48 48 LYS N N 48 127.892 124.934 2.958 1
1 652 . 20 1 1 A 49 49 ARG H H 49 8.816 9.015 -0.199 1
1 653 . 20 1 1 A 49 49 ARG HA H 49 4.314 4.580 -0.266 1
1 660 . 20 1 1 A 49 49 ARG C C 49 178.464 178.298 0.166 1
1 661 . 20 1 1 A 49 49 ARG CA C 49 60.341 58.812 1.529 1
1 662 . 20 1 1 A 49 49 ARG CB C 49 30.197 30.168 0.029 1
1 665 . 20 1 1 A 49 49 ARG N N 49 122.736 118.157 4.579 1
1 666 . 20 1 1 A 50 50 THR H H 50 8.269 8.147 0.122 1
1 667 . 20 1 1 A 50 50 THR HA H 50 4.079 4.059 0.020 1
1 672 . 20 1 1 A 50 50 THR C C 50 177.316 177.370 -0.054 1
1 673 . 20 1 1 A 50 50 THR CA C 50 65.501 65.689 -0.188 1
1 674 . 20 1 1 A 50 50 THR CB C 50 67.951 68.107 -0.156 1
1 676 . 20 1 1 A 50 50 THR N N 50 110.696 111.095 -0.399 1
1 677 . 20 1 1 A 51 51 GLU H H 51 7.260 8.074 -0.814 1
1 678 . 20 1 1 A 51 51 GLU HA H 51 4.239 4.209 0.030 1
1 683 . 20 1 1 A 51 51 GLU C C 51 179.621 178.780 0.841 1
1 684 . 20 1 1 A 51 51 GLU CA C 51 58.921 60.030 -1.109 1
1 685 . 20 1 1 A 51 51 GLU CB C 51 29.916 29.465 0.451 1
1 687 . 20 1 1 A 51 51 GLU N N 51 121.344 122.203 -0.859 1
1 688 . 20 1 1 A 52 52 TYR H H 52 8.678 8.695 -0.017 1
1 689 . 20 1 1 A 52 52 TYR HA H 52 4.376 4.188 0.188 1
1 697 . 20 1 1 A 52 52 TYR C C 52 176.120 177.708 -1.588 1
1 698 . 20 1 1 A 52 52 TYR CA C 52 62.660 61.490 1.170 1
1 699 . 20 1 1 A 52 52 TYR CB C 52 38.206 38.619 -0.413 1
1 702 . 20 1 1 A 52 52 TYR N N 52 122.483 121.665 0.818 1
1 703 . 20 1 1 A 53 53 GLN H H 53 8.801 8.284 0.517 1
1 704 . 20 1 1 A 53 53 GLN HA H 53 3.721 3.790 -0.069 1
1 711 . 20 1 1 A 53 53 GLN C C 53 177.894 178.157 -0.263 1
1 712 . 20 1 1 A 53 53 GLN CA C 53 58.111 58.845 -0.734 1
1 713 . 20 1 1 A 53 53 GLN CB C 53 28.909 28.232 0.677 1
1 715 . 20 1 1 A 53 53 GLN N N 53 118.817 118.430 0.387 1
1 717 . 20 1 1 A 54 54 LYS H H 54 7.685 7.598 0.087 1
1 718 . 20 1 1 A 54 54 LYS HA H 54 4.051 3.989 0.062 1
1 727 . 20 1 1 A 54 54 LYS C C 54 178.918 179.025 -0.107 1
1 728 . 20 1 1 A 54 54 LYS CA C 54 59.845 59.329 0.516 1
1 729 . 20 1 1 A 54 54 LYS CB C 54 32.339 32.207 0.132 1
1 733 . 20 1 1 A 54 54 LYS N N 54 118.629 119.102 -0.473 1
1 734 . 20 1 1 A 55 55 PHE H H 55 7.533 7.660 -0.127 1
1 735 . 20 1 1 A 55 55 PHE HA H 55 3.660 3.767 -0.107 1
1 743 . 20 1 1 A 55 55 PHE C C 55 176.180 177.144 -0.964 1
1 744 . 20 1 1 A 55 55 PHE CA C 55 59.494 61.173 -1.679 1
1 745 . 20 1 1 A 55 55 PHE CB C 55 38.189 39.283 -1.094 1
1 749 . 20 1 1 A 55 55 PHE N N 55 120.449 120.397 0.052 1
1 750 . 20 1 1 A 56 56 LEU H H 56 8.019 8.447 -0.428 1
1 751 . 20 1 1 A 56 56 LEU HA H 56 3.254 3.566 -0.312 1
1 761 . 20 1 1 A 56 56 LEU C C 56 179.581 178.905 0.676 1
1 762 . 20 1 1 A 56 56 LEU CA C 56 57.366 57.715 -0.349 1
1 763 . 20 1 1 A 56 56 LEU CB C 56 41.462 41.005 0.457 1
1 767 . 20 1 1 A 56 56 LEU N N 56 120.223 119.509 0.714 1
1 768 . 20 1 1 A 57 57 ASN H H 57 8.427 8.475 -0.048 1
1 769 . 20 1 1 A 57 57 ASN HA H 57 4.324 4.364 -0.040 1
1 774 . 20 1 1 A 57 57 ASN C C 57 178.105 178.465 -0.360 1
1 775 . 20 1 1 A 57 57 ASN CA C 57 55.194 56.464 -1.270 1
1 776 . 20 1 1 A 57 57 ASN CB C 57 36.948 37.723 -0.775 1
1 777 . 20 1 1 A 57 57 ASN N N 57 118.422 117.884 0.538 1
1 779 . 20 1 1 A 58 58 GLU H H 58 7.873 7.883 -0.010 1
1 780 . 20 1 1 A 58 58 GLU HA H 58 4.063 4.075 -0.012 1
1 785 . 20 1 1 A 58 58 GLU C C 58 179.660 178.720 0.940 1
1 786 . 20 1 1 A 58 58 GLU CA C 58 59.064 58.601 0.463 1
1 787 . 20 1 1 A 58 58 GLU CB C 58 29.592 29.489 0.103 1
1 789 . 20 1 1 A 58 58 GLU N N 58 121.129 119.273 1.856 1
1 790 . 20 1 1 A 59 59 TYR H H 59 8.638 7.995 0.643 1
1 791 . 20 1 1 A 59 59 TYR HA H 59 3.949 4.021 -0.072 1
1 798 . 20 1 1 A 59 59 TYR C C 59 179.907 178.191 1.716 1
1 799 . 20 1 1 A 59 59 TYR CA C 59 61.870 60.918 0.952 1
1 800 . 20 1 1 A 59 59 TYR CB C 59 38.156 37.949 0.207 1
1 803 . 20 1 1 A 59 59 TYR N N 59 124.461 122.419 2.042 1
1 804 . 20 1 1 A 60 60 GLY H H 60 8.925 8.576 0.349 1
1 805 . 20 1 1 A 60 60 GLY HA2 H 60 3.947 3.769 0.178 1
1 806 . 20 1 1 A 60 60 GLY HA3 H 60 4.175 3.786 0.389 1
1 807 . 20 1 1 A 60 60 GLY C C 60 173.294 175.004 -1.710 1
1 808 . 20 1 1 A 60 60 GLY CA C 60 46.424 46.873 -0.449 1
1 809 . 20 1 1 A 60 60 GLY N N 60 107.578 106.143 1.435 1
1 810 . 20 1 1 A 61 61 LEU H H 61 7.448 7.502 -0.054 1
1 811 . 20 1 1 A 61 61 LEU HA H 61 4.238 4.228 0.010 1
1 821 . 20 1 1 A 61 61 LEU C C 61 179.159 177.726 1.433 1
1 822 . 20 1 1 A 61 61 LEU CA C 61 57.274 56.027 1.247 1
1 823 . 20 1 1 A 61 61 LEU CB C 61 42.304 41.994 0.310 1
1 827 . 20 1 1 A 61 61 LEU N N 61 118.202 122.000 -3.798 1
1 828 . 20 1 1 A 62 62 THR H H 62 6.974 7.315 -0.341 1
1 829 . 20 1 1 A 62 62 THR HA H 62 4.385 4.591 -0.206 1
1 834 . 20 1 1 A 62 62 THR C C 62 173.170 173.289 -0.119 1
1 835 . 20 1 1 A 62 62 THR CA C 62 59.813 60.788 -0.975 1
1 836 . 20 1 1 A 62 62 THR CB C 62 69.697 70.112 -0.415 1
1 838 . 20 1 1 A 62 62 THR N N 62 101.223 105.241 -4.018 1
1 839 . 20 1 1 A 63 63 HIS H H 63 7.041 7.405 -0.364 1
1 840 . 20 1 1 A 63 63 HIS HA H 63 4.861 4.953 -0.092 1
1 845 . 20 1 1 A 63 63 HIS C C 63 172.567 174.481 -1.914 1
1 846 . 20 1 1 A 63 63 HIS CA C 63 55.522 54.405 1.117 1
1 847 . 20 1 1 A 63 63 HIS CB C 63 32.328 33.251 -0.923 1
1 850 . 20 1 1 A 63 63 HIS N N 63 116.818 119.326 -2.508 1
1 853 . 20 1 1 A 64 64 SER H H 64 8.717 8.583 0.134 1
1 854 . 20 1 1 A 64 64 SER HA H 64 4.582 4.479 0.103 1
1 857 . 20 1 1 A 64 64 SER C C 64 174.545 175.056 -0.511 1
1 858 . 20 1 1 A 64 64 SER CA C 64 57.169 58.931 -1.762 1
1 859 . 20 1 1 A 64 64 SER CB C 64 65.484 64.276 1.208 1
1 860 . 20 1 1 A 64 64 SER N N 64 116.128 117.684 -1.556 1
1 861 . 20 1 1 A 65 65 TYR H H 65 9.054 9.191 -0.137 1
1 862 . 20 1 1 A 65 65 TYR HA H 65 4.059 4.103 -0.044 1
1 869 . 20 1 1 A 65 65 TYR C C 65 176.918 177.671 -0.753 1
1 870 . 20 1 1 A 65 65 TYR CA C 65 61.906 62.589 -0.683 1
1 871 . 20 1 1 A 65 65 TYR CB C 65 38.185 38.870 -0.685 1
1 874 . 20 1 1 A 65 65 TYR N N 65 121.679 124.386 -2.707 1
1 875 . 20 1 1 A 66 66 GLU H H 66 8.965 8.250 0.715 1
1 876 . 20 1 1 A 66 66 GLU HA H 66 3.888 4.000 -0.112 1
1 881 . 20 1 1 A 66 66 GLU C C 66 178.764 179.335 -0.571 1
1 882 . 20 1 1 A 66 66 GLU CA C 66 59.329 59.042 0.287 1
1 883 . 20 1 1 A 66 66 GLU CB C 66 28.874 29.107 -0.233 1
1 885 . 20 1 1 A 66 66 GLU N N 66 117.723 119.424 -1.701 1
1 886 . 20 1 1 A 67 67 THR H H 67 7.626 8.035 -0.409 1
1 887 . 20 1 1 A 67 67 THR HA H 67 3.864 4.031 -0.167 1
1 892 . 20 1 1 A 67 67 THR C C 67 176.681 176.471 0.210 1
1 893 . 20 1 1 A 67 67 THR CA C 67 66.368 67.247 -0.879 1
1 894 . 20 1 1 A 67 67 THR CB C 67 68.290 68.596 -0.306 1
1 896 . 20 1 1 A 67 67 THR N N 67 116.084 116.816 -0.732 1
1 897 . 20 1 1 A 68 68 ILE H H 68 8.324 7.852 0.472 1
1 898 . 20 1 1 A 68 68 ILE HA H 68 3.686 3.953 -0.267 1
1 908 . 20 1 1 A 68 68 ILE C C 68 176.527 177.332 -0.805 1
1 909 . 20 1 1 A 68 68 ILE CA C 68 65.205 62.877 2.328 1
1 910 . 20 1 1 A 68 68 ILE CB C 68 38.355 37.613 0.742 1
1 914 . 20 1 1 A 68 68 ILE N N 68 123.174 120.594 2.580 1
1 915 . 20 1 1 A 69 69 ARG H H 69 8.407 7.918 0.489 1
1 916 . 20 1 1 A 69 69 ARG HA H 69 3.673 3.687 -0.014 1
1 923 . 20 1 1 A 69 69 ARG C C 69 179.687 178.527 1.160 1
1 924 . 20 1 1 A 69 69 ARG CA C 69 59.577 59.633 -0.056 1
1 925 . 20 1 1 A 69 69 ARG CB C 69 29.560 29.320 0.240 1
1 928 . 20 1 1 A 69 69 ARG N N 69 121.358 121.659 -0.301 1
1 929 . 20 1 1 A 70 70 LYS H H 70 7.562 8.219 -0.657 1
1 930 . 20 1 1 A 70 70 LYS HA H 70 3.617 3.787 -0.170 1
1 939 . 20 1 1 A 70 70 LYS C C 70 177.129 178.126 -0.997 1
1 940 . 20 1 1 A 70 70 LYS CA C 70 59.380 58.649 0.731 1
1 941 . 20 1 1 A 70 70 LYS CB C 70 31.978 31.417 0.561 1
1 945 . 20 1 1 A 70 70 LYS N N 70 120.218 117.996 2.222 1
1 946 . 20 1 1 A 71 71 LEU H H 71 7.640 7.789 -0.149 1
1 947 . 20 1 1 A 71 71 LEU HA H 71 3.629 3.827 -0.198 1
1 957 . 20 1 1 A 71 71 LEU C C 71 178.157 178.353 -0.196 1
1 958 . 20 1 1 A 71 71 LEU CA C 71 58.477 58.195 0.282 1
1 959 . 20 1 1 A 71 71 LEU CB C 71 41.262 41.152 0.110 1
1 963 . 20 1 1 A 71 71 LEU N N 71 119.991 120.920 -0.929 1
1 964 . 20 1 1 A 72 72 ASN H H 72 8.474 8.471 0.003 1
1 965 . 20 1 1 A 72 72 ASN HA H 72 4.485 5.088 -0.603 1
1 970 . 20 1 1 A 72 72 ASN C C 72 176.285 177.585 -1.300 1
1 971 . 20 1 1 A 72 72 ASN CA C 72 56.424 56.939 -0.515 1
1 972 . 20 1 1 A 72 72 ASN CB C 72 39.544 39.664 -0.120 1
1 973 . 20 1 1 A 72 72 ASN N N 72 114.097 117.664 -3.567 1
1 975 . 20 1 1 A 73 73 SER H H 73 7.878 7.607 0.271 1
1 976 . 20 1 1 A 73 73 SER HA H 73 4.177 4.222 -0.045 1
1 979 . 20 1 1 A 73 73 SER C C 73 176.734 177.121 -0.387 1
1 980 . 20 1 1 A 73 73 SER CA C 73 61.741 61.047 0.694 1
1 981 . 20 1 1 A 73 73 SER CB C 73 62.573 62.658 -0.085 1
1 982 . 20 1 1 A 73 73 SER N N 73 115.022 113.912 1.110 1
1 983 . 20 1 1 A 74 74 TYR H H 74 8.078 7.498 0.580 1
1 984 . 20 1 1 A 74 74 TYR HA H 74 5.168 4.555 0.613 1
1 991 . 20 1 1 A 74 74 TYR C C 74 178.436 178.606 -0.170 1
1 992 . 20 1 1 A 74 74 TYR CA C 74 58.023 61.468 -3.445 1
1 993 . 20 1 1 A 74 74 TYR CB C 74 37.835 38.270 -0.435 1
1 996 . 20 1 1 A 74 74 TYR N N 74 122.937 119.440 3.497 1
1 997 . 20 1 1 A 75 75 ILE H H 75 8.264 8.465 -0.201 1
1 998 . 20 1 1 A 75 75 ILE HA H 75 3.647 3.903 -0.256 1
1 1008 . 20 1 1 A 75 75 ILE C C 75 177.656 178.039 -0.383 1
1 1009 . 20 1 1 A 75 75 ILE CA C 75 66.349 65.107 1.242 1
1 1010 . 20 1 1 A 75 75 ILE CB C 75 37.494 37.032 0.462 1
1 1014 . 20 1 1 A 75 75 ILE N N 75 119.080 120.353 -1.273 1
1 1015 . 20 1 1 A 76 76 ARG H H 76 9.316 8.268 1.048 1
1 1016 . 20 1 1 A 76 76 ARG HA H 76 3.896 4.053 -0.157 1
1 1024 . 20 1 1 A 76 76 ARG C C 76 179.033 179.378 -0.345 1
1 1025 . 20 1 1 A 76 76 ARG CA C 76 60.536 59.639 0.897 1
1 1026 . 20 1 1 A 76 76 ARG CB C 76 30.238 29.720 0.518 1
1 1029 . 20 1 1 A 76 76 ARG N N 76 121.985 121.034 0.951 1
1 1031 . 20 1 1 A 77 77 ASN H H 77 8.003 8.225 -0.222 1
1 1032 . 20 1 1 A 77 77 ASN HA H 77 4.605 4.572 0.033 1
1 1037 . 20 1 1 A 77 77 ASN C C 77 177.146 177.191 -0.045 1
1 1038 . 20 1 1 A 77 77 ASN CA C 77 55.755 56.758 -1.003 1
1 1039 . 20 1 1 A 77 77 ASN CB C 77 38.857 38.898 -0.041 1
1 1040 . 20 1 1 A 77 77 ASN N N 77 117.750 117.949 -0.199 1
1 1042 . 20 1 1 A 78 78 ALA H H 78 8.082 7.988 0.094 1
1 1043 . 20 1 1 A 78 78 ALA HA H 78 2.351 2.853 -0.502 1
1 1047 . 20 1 1 A 78 78 ALA C C 78 181.084 179.434 1.650 1
1 1048 . 20 1 1 A 78 78 ALA CA C 78 54.703 54.336 0.367 1
1 1049 . 20 1 1 A 78 78 ALA CB C 78 16.121 17.542 -1.421 1
1 1050 . 20 1 1 A 78 78 ALA N N 78 124.770 121.580 3.190 1
1 1051 . 20 1 1 A 79 79 PHE H H 79 8.603 7.953 0.650 1
1 1052 . 20 1 1 A 79 79 PHE HA H 79 3.974 4.292 -0.318 1
1 1060 . 20 1 1 A 79 79 PHE C C 79 177.841 177.859 -0.018 1
1 1061 . 20 1 1 A 79 79 PHE CA C 79 63.302 61.367 1.935 1
1 1062 . 20 1 1 A 79 79 PHE CB C 79 40.594 38.315 2.279 1
1 1066 . 20 1 1 A 79 79 PHE N N 79 116.847 115.651 1.196 1
1 1067 . 20 1 1 A 80 80 ASP H H 80 8.298 8.528 -0.230 1
1 1068 . 20 1 1 A 80 80 ASP HA H 80 4.620 4.384 0.236 1
1 1071 . 20 1 1 A 80 80 ASP C C 80 179.845 178.170 1.675 1
1 1072 . 20 1 1 A 80 80 ASP CA C 80 57.957 57.989 -0.032 1
1 1073 . 20 1 1 A 80 80 ASP CB C 80 39.595 41.587 -1.992 1
1 1074 . 20 1 1 A 80 80 ASP N N 80 121.362 120.590 0.772 1
1 1075 . 20 1 1 A 81 81 ASP H H 81 8.051 8.177 -0.126 1
1 1076 . 20 1 1 A 81 81 ASP HA H 81 4.724 4.577 0.147 1
1 1079 . 20 1 1 A 81 81 ASP C C 81 177.963 178.751 -0.788 1
1 1080 . 20 1 1 A 81 81 ASP CA C 81 57.537 57.246 0.291 1
1 1081 . 20 1 1 A 81 81 ASP CB C 81 39.463 40.902 -1.439 1
1 1082 . 20 1 1 A 81 81 ASP N N 81 122.166 119.055 3.111 1
1 1083 . 20 1 1 A 82 82 ALA H H 82 8.025 7.869 0.156 1
1 1084 . 20 1 1 A 82 82 ALA HA H 82 4.106 4.153 -0.047 1
1 1088 . 20 1 1 A 82 82 ALA C C 82 180.223 179.732 0.491 1
1 1089 . 20 1 1 A 82 82 ALA CA C 82 55.194 55.213 -0.019 1
1 1090 . 20 1 1 A 82 82 ALA CB C 82 17.947 18.416 -0.469 1
1 1091 . 20 1 1 A 82 82 ALA N N 82 124.747 121.927 2.820 1
1 1092 . 20 1 1 A 83 83 ILE H H 83 8.327 8.487 -0.160 1
1 1093 . 20 1 1 A 83 83 ILE HA H 83 4.235 4.424 -0.189 1
1 1103 . 20 1 1 A 83 83 ILE C C 83 180.768 177.797 2.971 1
1 1104 . 20 1 1 A 83 83 ILE CA C 83 63.966 63.624 0.342 1
1 1105 . 20 1 1 A 83 83 ILE CB C 83 38.254 37.942 0.312 1
1 1109 . 20 1 1 A 83 83 ILE N N 83 120.907 118.684 2.223 1
1 1110 . 20 1 1 A 84 84 HIS H H 84 7.934 8.239 -0.305 1
1 1111 . 20 1 1 A 84 84 HIS HA H 84 4.434 4.196 0.238 1
1 1116 . 20 1 1 A 84 84 HIS C C 84 178.250 176.339 1.911 1
1 1117 . 20 1 1 A 84 84 HIS CA C 84 59.042 59.200 -0.158 1
1 1118 . 20 1 1 A 84 84 HIS CB C 84 28.750 30.001 -1.251 1
1 1121 . 20 1 1 A 84 84 HIS N N 84 121.346 121.397 -0.051 1
1 1124 . 20 1 1 A 85 85 GLU H H 85 8.074 8.064 0.010 1
1 1125 . 20 1 1 A 85 85 GLU HA H 85 4.192 4.257 -0.065 1
1 1130 . 20 1 1 A 85 85 GLU C C 85 176.510 176.882 -0.372 1
1 1131 . 20 1 1 A 85 85 GLU CA C 85 56.512 56.047 0.465 1
1 1132 . 20 1 1 A 85 85 GLU CB C 85 30.284 30.421 -0.137 1
1 1134 . 20 1 1 A 85 85 GLU N N 85 115.467 115.962 -0.495 1
1 1135 . 20 1 1 A 86 86 GLY H H 86 7.715 7.674 0.041 1
1 1136 . 20 1 1 A 86 86 GLY HA2 H 86 3.844 3.940 -0.096 1
1 1137 . 20 1 1 A 86 86 GLY HA3 H 86 4.136 3.950 0.186 1
1 1138 . 20 1 1 A 86 86 GLY C C 86 175.243 174.696 0.547 1
1 1139 . 20 1 1 A 86 86 GLY CA C 86 45.108 46.596 -1.488 1
1 1140 . 20 1 1 A 86 86 GLY N N 86 105.999 108.375 -2.376 1
1 1141 . 20 1 1 A 87 87 TYR H H 87 8.173 8.339 -0.166 1
1 1142 . 20 1 1 A 87 87 TYR HA H 87 4.396 4.280 0.116 1
1 1149 . 20 1 1 A 87 87 TYR CA C 87 59.317 60.589 -1.272 1
1 1150 . 20 1 1 A 87 87 TYR CB C 87 39.558 40.167 -0.609 1
1 1153 . 20 1 1 A 87 87 TYR N N 87 118.412 121.188 -2.776 1
1 1154 . 20 1 1 A 88 88 VAL HA H 88 4.583 4.735 -0.152 1
1 1162 . 20 1 1 A 88 88 VAL CB C 88 36.112 35.820 0.292 1
1 1165 . 20 1 1 A 89 89 ILE HA H 89 4.426 4.708 -0.282 1
1 1175 . 20 1 1 A 89 89 ILE CA C 89 61.984 60.093 1.891 1
1 1176 . 20 1 1 A 89 89 ILE CB C 89 39.850 38.269 1.581 1
1 1180 . 20 1 1 A 90 90 LYS H H 90 7.387 8.048 -0.661 1
1 1181 . 20 1 1 A 90 90 LYS HA H 90 4.508 4.811 -0.303 1
1 1190 . 20 1 1 A 90 90 LYS C C 90 174.665 174.943 -0.278 1
1 1191 . 20 1 1 A 90 90 LYS CA C 90 54.111 55.194 -1.083 1
1 1192 . 20 1 1 A 90 90 LYS CB C 90 35.086 36.547 -1.461 1
1 1196 . 20 1 1 A 91 91 ASN H H 91 8.803 8.757 0.046 1
1 1197 . 20 1 1 A 91 91 ASN HA H 91 4.279 5.225 -0.946 1
1 1202 . 20 1 1 A 91 91 ASN CB C 91 38.879 39.522 -0.643 1
1 1203 . 20 1 1 A 91 91 ASN N N 91 120.903 120.511 0.392 1
1 1205 . 20 1 1 A 92 92 PRO HA H 92 4.206 4.346 -0.140 1
1 1212 . 20 1 1 A 92 92 PRO C C 92 174.751 176.904 -2.153 1
1 1213 . 20 1 1 A 92 92 PRO CA C 92 63.927 63.603 0.324 1
1 1214 . 20 1 1 A 92 92 PRO CB C 92 30.969 31.383 -0.414 1
1 1217 . 20 1 1 A 93 93 THR H H 93 7.441 7.485 -0.044 1
1 1218 . 20 1 1 A 93 93 THR HA H 93 4.093 4.146 -0.053 1
1 1224 . 20 1 1 A 93 93 THR C C 93 175.922 174.544 1.378 1
1 1225 . 20 1 1 A 93 93 THR CA C 93 62.221 62.067 0.154 1
1 1226 . 20 1 1 A 93 93 THR CB C 93 69.463 69.155 0.308 1
1 1228 . 20 1 1 A 93 93 THR N N 93 105.991 108.469 -2.478 1
1 1229 . 20 1 1 A 94 94 TYR H H 94 7.139 7.883 -0.744 1
1 1230 . 20 1 1 A 94 94 TYR HA H 94 4.393 4.375 0.018 1
1 1237 . 20 1 1 A 94 94 TYR C C 94 176.180 176.341 -0.161 1
1 1238 . 20 1 1 A 94 94 TYR CA C 94 58.272 59.491 -1.219 1
1 1239 . 20 1 1 A 94 94 TYR CB C 94 37.490 39.192 -1.702 1
1 1242 . 20 1 1 A 94 94 TYR N N 94 124.098 123.865 0.233 1
1 1243 . 20 1 1 A 95 95 LYS H H 95 8.904 7.948 0.956 1
1 1244 . 20 1 1 A 95 95 LYS HA H 95 3.758 3.585 0.173 1
1 1253 . 20 1 1 A 95 95 LYS C C 95 175.547 175.671 -0.124 1
1 1254 . 20 1 1 A 95 95 LYS CA C 95 57.078 57.401 -0.323 1
1 1255 . 20 1 1 A 95 95 LYS CB C 95 29.962 29.856 0.106 1
1 1259 . 20 1 1 A 95 95 LYS N N 95 121.317 120.908 0.409 1
1 1260 . 20 1 1 A 96 96 ALA H H 96 7.583 7.612 -0.029 1
1 1261 . 20 1 1 A 96 96 ALA HA H 96 4.157 4.191 -0.034 1
1 1265 . 20 1 1 A 96 96 ALA C C 96 177.630 176.439 1.191 1
1 1266 . 20 1 1 A 96 96 ALA CA C 96 53.298 53.033 0.265 1
1 1267 . 20 1 1 A 96 96 ALA CB C 96 18.807 19.416 -0.609 1
1 1268 . 20 1 1 A 96 96 ALA N N 96 121.832 121.481 0.351 1
1 1269 . 20 1 1 A 97 97 GLU H H 97 9.243 8.587 0.656 1
1 1270 . 20 1 1 A 97 97 GLU HA H 97 4.347 4.770 -0.423 1
1 1275 . 20 1 1 A 97 97 GLU C C 97 175.890 174.935 0.955 1
1 1276 . 20 1 1 A 97 97 GLU CA C 97 55.198 55.292 -0.094 1
1 1277 . 20 1 1 A 97 97 GLU CB C 97 30.931 32.224 -1.293 1
1 1279 . 20 1 1 A 97 97 GLU N N 97 121.989 122.474 -0.485 1
1 1280 . 20 1 1 A 98 98 LEU H H 98 8.401 8.927 -0.526 1
1 1281 . 20 1 1 A 98 98 LEU HA H 98 4.277 4.369 -0.092 1
1 1291 . 20 1 1 A 98 98 LEU C C 98 175.738 175.144 0.594 1
1 1292 . 20 1 1 A 98 98 LEU CA C 98 54.337 54.055 0.282 1
1 1293 . 20 1 1 A 98 98 LEU CB C 98 41.634 40.260 1.374 1
1 1297 . 20 1 1 A 98 98 LEU N N 98 123.414 128.945 -5.531 1
1 1298 . 20 1 1 A 99 99 HIS H H 99 8.749 9.012 -0.263 1
1 1299 . 20 1 1 A 99 99 HIS HA H 99 4.706 4.660 0.046 1
1 1304 . 20 1 1 A 99 99 HIS C C 99 173.912 173.710 0.202 1
1 1305 . 20 1 1 A 99 99 HIS CA C 99 55.183 54.009 1.174 1
1 1306 . 20 1 1 A 99 99 HIS CB C 99 29.916 28.228 1.688 1
1 1309 . 20 1 1 A 99 99 HIS N N 99 121.129 125.032 -3.903 1
1 1312 . 20 1 1 A 100 100 ALA H H 100 8.369 8.685 -0.316 1
1 1313 . 20 1 1 A 100 100 ALA HA H 100 4.518 4.814 -0.296 1
1 1317 . 20 1 1 A 100 100 ALA C C 100 177.533 176.592 0.941 1
1 1318 . 20 1 1 A 100 100 ALA CA C 100 51.753 51.170 0.583 1
1 1319 . 20 1 1 A 100 100 ALA CB C 100 20.081 18.216 1.865 1
1 1320 . 20 1 1 A 100 100 ALA N N 100 125.646 127.378 -1.732 1
1 1321 . 20 1 1 A 101 101 SER H H 101 8.357 8.653 -0.296 1
1 1322 . 20 1 1 A 101 101 SER HA H 101 4.452 4.362 0.090 1
1 1325 . 20 1 1 A 101 101 SER C C 101 174.729 174.193 0.536 1
1 1326 . 20 1 1 A 101 101 SER CA C 101 58.781 57.617 1.164 1
1 1327 . 20 1 1 A 101 101 SER CB C 101 63.865 61.655 2.210 1
1 1328 . 20 1 1 A 101 101 SER N N 101 115.505 119.943 -4.438 1
1 1329 . 20 1 1 A 102 102 VAL H H 102 7.884 8.255 -0.371 1
1 1330 . 20 1 1 A 102 102 VAL HA H 102 4.111 4.286 -0.175 1
1 1338 . 20 1 1 A 102 102 VAL C C 102 175.837 176.767 -0.930 1
1 1339 . 20 1 1 A 102 102 VAL CA C 102 62.237 63.357 -1.120 1
1 1340 . 20 1 1 A 102 102 VAL CB C 102 32.336 34.796 -2.460 1
1 1343 . 20 1 1 A 102 102 VAL N N 102 120.880 125.228 -4.348 1
1 1344 . 20 1 1 A 103 103 LEU H H 103 8.170 7.906 0.264 1
1 1345 . 20 1 1 A 103 103 LEU HA H 103 4.299 4.625 -0.326 1
1 1355 . 20 1 1 A 103 103 LEU C C 103 177.129 176.270 0.859 1
1 1356 . 20 1 1 A 103 103 LEU CA C 103 54.999 54.019 0.980 1
1 1357 . 20 1 1 A 103 103 LEU CB C 103 42.276 42.706 -0.430 1
1 1361 . 20 1 1 A 103 103 LEU N N 103 124.757 119.418 5.339 1
1 1362 . 20 1 1 A 104 104 GLU H H 104 8.244 7.705 0.539 1
1 1363 . 20 1 1 A 104 104 GLU HA H 104 4.175 4.261 -0.086 1
1 1368 . 20 1 1 A 104 104 GLU C C 104 176.153 176.210 -0.057 1
1 1369 . 20 1 1 A 104 104 GLU CA C 104 56.413 56.648 -0.235 1
1 1370 . 20 1 1 A 104 104 GLU CB C 104 30.270 30.237 0.033 1
1 1372 . 20 1 1 A 104 104 GLU N N 104 121.146 121.185 -0.039 1
1 1373 . 20 1 1 A 105 105 HIS H H 105 8.242 8.993 -0.751 1
1 1376 . 20 1 1 A 105 105 HIS C C 105 174.967 173.227 1.740 1
1 1377 . 20 1 1 A 105 105 HIS CA C 105 56.137 53.753 2.384 1
1 1378 . 20 1 1 A 105 105 HIS CB C 105 30.290 32.378 -2.088 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 100 1.051 1
2 1 1 1 "RMS(OBS, PRED)" CA 102 1.302 1
3 1 1 1 "RMS(OBS, PRED)" CB 102 1.122 1
4 1 1 1 "RMS(OBS, PRED)" H 98 0.458 1
5 1 1 1 "RMS(OBS, PRED)" HA 105 0.250 1
6 1 1 1 "RMS(OBS, PRED)" N 96 2.715 1
7 1 2 1 "RMS(OBS, PRED)" C 100 1.090 1
8 1 2 1 "RMS(OBS, PRED)" CA 102 1.154 1
9 1 2 1 "RMS(OBS, PRED)" CB 102 1.255 1
10 1 2 1 "RMS(OBS, PRED)" H 98 0.472 1
11 1 2 1 "RMS(OBS, PRED)" HA 105 0.271 1
12 1 2 1 "RMS(OBS, PRED)" N 96 3.056 1
13 1 3 1 "RMS(OBS, PRED)" C 100 1.141 1
14 1 3 1 "RMS(OBS, PRED)" CA 102 1.275 1
15 1 3 1 "RMS(OBS, PRED)" CB 102 1.138 1
16 1 3 1 "RMS(OBS, PRED)" H 98 0.424 1
17 1 3 1 "RMS(OBS, PRED)" HA 105 0.265 1
18 1 3 1 "RMS(OBS, PRED)" N 96 2.915 1
19 1 4 1 "RMS(OBS, PRED)" C 100 1.069 1
20 1 4 1 "RMS(OBS, PRED)" CA 102 1.289 1
21 1 4 1 "RMS(OBS, PRED)" CB 102 1.164 1
22 1 4 1 "RMS(OBS, PRED)" H 98 0.487 1
23 1 4 1 "RMS(OBS, PRED)" HA 105 0.271 1
24 1 4 1 "RMS(OBS, PRED)" N 96 2.892 1
25 1 5 1 "RMS(OBS, PRED)" C 100 1.084 1
26 1 5 1 "RMS(OBS, PRED)" CA 102 1.303 1
27 1 5 1 "RMS(OBS, PRED)" CB 102 1.088 1
28 1 5 1 "RMS(OBS, PRED)" H 98 0.486 1
29 1 5 1 "RMS(OBS, PRED)" HA 105 0.249 1
30 1 5 1 "RMS(OBS, PRED)" N 96 2.967 1
31 1 6 1 "RMS(OBS, PRED)" C 100 1.149 1
32 1 6 1 "RMS(OBS, PRED)" CA 102 1.266 1
33 1 6 1 "RMS(OBS, PRED)" CB 102 1.004 1
34 1 6 1 "RMS(OBS, PRED)" H 98 0.497 1
35 1 6 1 "RMS(OBS, PRED)" HA 105 0.254 1
36 1 6 1 "RMS(OBS, PRED)" N 96 3.146 1
37 1 7 1 "RMS(OBS, PRED)" C 100 1.083 1
38 1 7 1 "RMS(OBS, PRED)" CA 102 1.347 1
39 1 7 1 "RMS(OBS, PRED)" CB 102 1.061 1
40 1 7 1 "RMS(OBS, PRED)" H 98 0.449 1
41 1 7 1 "RMS(OBS, PRED)" HA 105 0.256 1
42 1 7 1 "RMS(OBS, PRED)" N 96 2.847 1
43 1 8 1 "RMS(OBS, PRED)" C 100 1.048 1
44 1 8 1 "RMS(OBS, PRED)" CA 102 1.260 1
45 1 8 1 "RMS(OBS, PRED)" CB 102 1.082 1
46 1 8 1 "RMS(OBS, PRED)" H 98 0.423 1
47 1 8 1 "RMS(OBS, PRED)" HA 105 0.287 1
48 1 8 1 "RMS(OBS, PRED)" N 96 2.901 1
49 1 9 1 "RMS(OBS, PRED)" C 100 1.037 1
50 1 9 1 "RMS(OBS, PRED)" CA 102 1.253 1
51 1 9 1 "RMS(OBS, PRED)" CB 102 1.097 1
52 1 9 1 "RMS(OBS, PRED)" H 98 0.467 1
53 1 9 1 "RMS(OBS, PRED)" HA 105 0.280 1
54 1 9 1 "RMS(OBS, PRED)" N 96 2.612 1
55 1 10 1 "RMS(OBS, PRED)" C 100 1.166 1
56 1 10 1 "RMS(OBS, PRED)" CA 102 1.380 1
57 1 10 1 "RMS(OBS, PRED)" CB 102 1.225 1
58 1 10 1 "RMS(OBS, PRED)" H 98 0.491 1
59 1 10 1 "RMS(OBS, PRED)" HA 105 0.276 1
60 1 10 1 "RMS(OBS, PRED)" N 96 2.778 1
61 1 11 1 "RMS(OBS, PRED)" C 100 1.151 1
62 1 11 1 "RMS(OBS, PRED)" CA 102 1.265 1
63 1 11 1 "RMS(OBS, PRED)" CB 102 1.264 1
64 1 11 1 "RMS(OBS, PRED)" H 98 0.467 1
65 1 11 1 "RMS(OBS, PRED)" HA 105 0.290 1
66 1 11 1 "RMS(OBS, PRED)" N 96 2.829 1
67 1 12 1 "RMS(OBS, PRED)" C 100 1.058 1
68 1 12 1 "RMS(OBS, PRED)" CA 102 1.354 1
69 1 12 1 "RMS(OBS, PRED)" CB 102 1.395 1
70 1 12 1 "RMS(OBS, PRED)" H 98 0.494 1
71 1 12 1 "RMS(OBS, PRED)" HA 105 0.317 1
72 1 12 1 "RMS(OBS, PRED)" N 96 2.894 1
73 1 13 1 "RMS(OBS, PRED)" C 100 1.088 1
74 1 13 1 "RMS(OBS, PRED)" CA 102 1.371 1
75 1 13 1 "RMS(OBS, PRED)" CB 102 1.141 1
76 1 13 1 "RMS(OBS, PRED)" H 98 0.461 1
77 1 13 1 "RMS(OBS, PRED)" HA 105 0.259 1
78 1 13 1 "RMS(OBS, PRED)" N 96 2.946 1
79 1 14 1 "RMS(OBS, PRED)" C 100 1.027 1
80 1 14 1 "RMS(OBS, PRED)" CA 102 1.234 1
81 1 14 1 "RMS(OBS, PRED)" CB 102 1.203 1
82 1 14 1 "RMS(OBS, PRED)" H 98 0.471 1
83 1 14 1 "RMS(OBS, PRED)" HA 105 0.280 1
84 1 14 1 "RMS(OBS, PRED)" N 96 3.072 1
85 1 15 1 "RMS(OBS, PRED)" C 100 1.096 1
86 1 15 1 "RMS(OBS, PRED)" CA 102 1.270 1
87 1 15 1 "RMS(OBS, PRED)" CB 102 1.222 1
88 1 15 1 "RMS(OBS, PRED)" H 98 0.438 1
89 1 15 1 "RMS(OBS, PRED)" HA 105 0.274 1
90 1 15 1 "RMS(OBS, PRED)" N 96 2.843 1
91 1 16 1 "RMS(OBS, PRED)" C 100 1.069 1
92 1 16 1 "RMS(OBS, PRED)" CA 102 1.317 1
93 1 16 1 "RMS(OBS, PRED)" CB 102 1.105 1
94 1 16 1 "RMS(OBS, PRED)" H 98 0.464 1
95 1 16 1 "RMS(OBS, PRED)" HA 105 0.260 1
96 1 16 1 "RMS(OBS, PRED)" N 96 2.861 1
97 1 17 1 "RMS(OBS, PRED)" C 100 1.078 1
98 1 17 1 "RMS(OBS, PRED)" CA 102 1.230 1
99 1 17 1 "RMS(OBS, PRED)" CB 102 1.151 1
100 1 17 1 "RMS(OBS, PRED)" H 98 0.480 1
101 1 17 1 "RMS(OBS, PRED)" HA 105 0.286 1
102 1 17 1 "RMS(OBS, PRED)" N 96 2.690 1
103 1 18 1 "RMS(OBS, PRED)" C 100 1.056 1
104 1 18 1 "RMS(OBS, PRED)" CA 102 1.278 1
105 1 18 1 "RMS(OBS, PRED)" CB 102 1.157 1
106 1 18 1 "RMS(OBS, PRED)" H 98 0.459 1
107 1 18 1 "RMS(OBS, PRED)" HA 105 0.290 1
108 1 18 1 "RMS(OBS, PRED)" N 96 2.959 1
109 1 19 1 "RMS(OBS, PRED)" C 100 1.038 1
110 1 19 1 "RMS(OBS, PRED)" CA 102 1.279 1
111 1 19 1 "RMS(OBS, PRED)" CB 102 1.189 1
112 1 19 1 "RMS(OBS, PRED)" H 98 0.454 1
113 1 19 1 "RMS(OBS, PRED)" HA 105 0.271 1
114 1 19 1 "RMS(OBS, PRED)" N 96 2.716 1
115 1 20 1 "RMS(OBS, PRED)" C 100 1.133 1
116 1 20 1 "RMS(OBS, PRED)" CA 102 1.308 1
117 1 20 1 "RMS(OBS, PRED)" CB 102 1.219 1
118 1 20 1 "RMS(OBS, PRED)" H 98 0.439 1
119 1 20 1 "RMS(OBS, PRED)" HA 105 0.266 1
120 1 20 1 "RMS(OBS, PRED)" N 96 2.846 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 13 . 1 1 A 2 2 ILE HA H 2 4.615 4.763 -0.148 2
1 23 . 1 1 A 2 2 ILE C C 2 175.630 175.180 0.450 2
1 24 . 1 1 A 2 2 ILE CA C 2 60.619 60.120 0.499 2
1 25 . 1 1 A 2 2 ILE CB C 2 40.542 40.777 -0.235 2
1 29 . 1 1 A 3 3 THR H H 3 9.133 8.583 0.550 2
1 30 . 1 1 A 3 3 THR HA H 3 4.656 4.659 -0.003 2
1 36 . 1 1 A 3 3 THR C C 3 174.729 175.662 -0.933 2
1 37 . 1 1 A 3 3 THR CA C 3 61.509 61.358 0.151 2
1 38 . 1 1 A 3 3 THR CB C 3 69.896 70.382 -0.486 2
1 40 . 1 1 A 3 3 THR N N 3 119.091 117.823 1.268 2
1 41 . 1 1 A 4 4 PHE H H 4 8.642 9.601 -0.959 2
1 42 . 1 1 A 4 4 PHE HA H 4 4.576 4.095 0.481 2
1 50 . 1 1 A 4 4 PHE C C 4 176.302 177.380 -1.078 2
1 51 . 1 1 A 4 4 PHE CA C 4 58.368 62.617 -4.249 2
1 52 . 1 1 A 4 4 PHE CB C 4 37.526 39.370 -1.844 2
1 56 . 1 1 A 4 4 PHE N N 4 122.510 122.998 -0.488 2
1 57 . 1 1 A 5 5 ALA H H 5 9.195 8.383 0.812 2
1 58 . 1 1 A 5 5 ALA HA H 5 3.692 4.005 -0.313 2
1 62 . 1 1 A 5 5 ALA C C 5 178.210 179.821 -1.611 2
1 63 . 1 1 A 5 5 ALA CA C 5 56.073 55.269 0.804 2
1 64 . 1 1 A 5 5 ALA CB C 5 17.897 18.227 -0.330 2
1 65 . 1 1 A 5 5 ALA N N 5 120.106 121.359 -1.253 2
1 66 . 1 1 A 6 6 ASP H H 6 7.978 8.202 -0.224 2
1 67 . 1 1 A 6 6 ASP HA H 6 4.615 4.550 0.065 2
1 70 . 1 1 A 6 6 ASP C C 6 179.370 178.388 0.982 2
1 71 . 1 1 A 6 6 ASP CA C 6 57.369 57.405 -0.036 2
1 72 . 1 1 A 6 6 ASP CB C 6 39.556 40.763 -1.207 2
1 73 . 1 1 A 6 6 ASP N N 6 115.486 118.580 -3.094 2
1 74 . 1 1 A 7 7 TYR H H 7 8.776 8.316 0.460 2
1 75 . 1 1 A 7 7 TYR HA H 7 3.984 4.337 -0.353 2
1 82 . 1 1 A 7 7 TYR C C 7 176.232 177.475 -1.243 2
1 83 . 1 1 A 7 7 TYR CA C 7 62.241 61.536 0.705 2
1 84 . 1 1 A 7 7 TYR CB C 7 38.521 38.412 0.109 2
1 87 . 1 1 A 7 7 TYR N N 7 120.885 121.724 -0.839 2
1 88 . 1 1 A 8 8 PHE H H 8 9.024 8.466 0.558 2
1 89 . 1 1 A 8 8 PHE HA H 8 3.732 4.121 -0.389 2
1 97 . 1 1 A 8 8 PHE C C 8 176.261 176.941 -0.680 2
1 98 . 1 1 A 8 8 PHE CA C 8 62.936 61.969 0.967 2
1 99 . 1 1 A 8 8 PHE CB C 8 39.553 38.802 0.751 2
1 103 . 1 1 A 8 8 PHE N N 8 118.754 120.776 -2.022 2
1 104 . 1 1 A 9 9 TYR H H 9 8.202 8.204 -0.002 2
1 105 . 1 1 A 9 9 TYR HA H 9 3.742 4.007 -0.265 2
1 112 . 1 1 A 9 9 TYR C C 9 176.496 177.243 -0.747 2
1 113 . 1 1 A 9 9 TYR CA C 9 62.939 61.305 1.634 2
1 114 . 1 1 A 9 9 TYR CB C 9 37.941 38.146 -0.205 2
1 117 . 1 1 A 9 9 TYR N N 9 117.271 120.318 -3.047 2
1 118 . 1 1 A 10 10 GLN H H 10 8.029 8.404 -0.375 2
1 119 . 1 1 A 10 10 GLN HA H 10 3.928 3.934 -0.006 2
1 126 . 1 1 A 10 10 GLN C C 10 177.393 177.775 -0.382 2
1 127 . 1 1 A 10 10 GLN CA C 10 58.717 58.498 0.219 2
1 128 . 1 1 A 10 10 GLN CB C 10 28.482 28.470 0.012 2
1 130 . 1 1 A 10 10 GLN N N 10 117.935 117.797 0.138 2
1 132 . 1 1 A 11 11 TRP H H 11 8.772 8.271 0.501 2
1 133 . 1 1 A 11 11 TRP HA H 11 3.690 4.113 -0.423 2
1 142 . 1 1 A 11 11 TRP C C 11 178.487 177.536 0.951 2
1 143 . 1 1 A 11 11 TRP CA C 11 61.256 60.593 0.663 2
1 144 . 1 1 A 11 11 TRP CB C 11 27.472 29.210 -1.738 2
1 150 . 1 1 A 11 11 TRP N N 11 121.577 121.870 -0.293 2
1 152 . 1 1 A 12 12 TYR H H 12 8.168 7.961 0.207 2
1 153 . 1 1 A 12 12 TYR HA H 12 2.938 3.238 -0.300 2
1 160 . 1 1 A 12 12 TYR C C 12 177.277 177.125 0.151 2
1 161 . 1 1 A 12 12 TYR CA C 12 59.178 60.849 -1.671 2
1 162 . 1 1 A 12 12 TYR CB C 12 36.729 38.003 -1.274 2
1 165 . 1 1 A 12 12 TYR N N 12 121.811 121.109 0.702 2
1 166 . 1 1 A 13 13 GLU H H 13 8.434 8.059 0.375 2
1 167 . 1 1 A 13 13 GLU HA H 13 2.996 3.306 -0.310 2
1 172 . 1 1 A 13 13 GLU C C 13 177.157 178.305 -1.148 2
1 173 . 1 1 A 13 13 GLU CA C 13 59.164 58.619 0.545 2
1 174 . 1 1 A 13 13 GLU CB C 13 29.447 29.090 0.357 2
1 176 . 1 1 A 13 13 GLU N N 13 123.599 119.074 4.525 2
1 177 . 1 1 A 14 14 VAL H H 14 7.605 7.302 0.303 2
1 178 . 1 1 A 14 14 VAL HA H 14 3.562 3.593 -0.031 2
1 186 . 1 1 A 14 14 VAL C C 14 177.289 176.714 0.575 2
1 187 . 1 1 A 14 14 VAL CA C 14 64.338 65.287 -0.949 2
1 188 . 1 1 A 14 14 VAL CB C 14 32.669 31.422 1.247 2
1 191 . 1 1 A 14 14 VAL N N 14 113.566 119.387 -5.821 2
1 192 . 1 1 A 15 15 ASN H H 15 7.482 7.303 0.179 2
1 193 . 1 1 A 15 15 ASN HA H 15 4.429 4.621 -0.192 2
1 198 . 1 1 A 15 15 ASN C C 15 175.201 176.321 -1.120 2
1 199 . 1 1 A 15 15 ASN CA C 15 55.218 54.063 1.155 2
1 200 . 1 1 A 15 15 ASN CB C 15 39.927 39.258 0.669 2
1 201 . 1 1 A 15 15 ASN N N 15 112.195 117.391 -5.196 2
1 203 . 1 1 A 16 16 LYS H H 16 7.413 7.563 -0.150 2
1 204 . 1 1 A 16 16 LYS HA H 16 4.338 4.192 0.146 2
1 213 . 1 1 A 16 16 LYS C C 16 175.309 177.534 -2.225 2
1 214 . 1 1 A 16 16 LYS CA C 16 54.807 56.573 -1.766 2
1 215 . 1 1 A 16 16 LYS CB C 16 32.665 32.715 -0.050 2
1 219 . 1 1 A 16 16 LYS N N 16 115.814 117.320 -1.506 2
1 220 . 1 1 A 17 17 LEU H H 17 7.490 7.393 0.097 2
1 221 . 1 1 A 17 17 LEU HA H 17 3.603 3.517 0.087 2
1 231 . 1 1 A 17 17 LEU C C 17 173.754 176.505 -2.751 2
1 232 . 1 1 A 17 17 LEU CA C 17 59.847 59.136 0.711 2
1 233 . 1 1 A 17 17 LEU CB C 17 39.552 40.039 -0.487 2
1 237 . 1 1 A 17 17 LEU N N 17 121.586 121.872 -0.286 2
1 238 . 1 1 A 18 18 PRO HA H 18 4.107 4.231 -0.124 2
1 245 . 1 1 A 18 18 PRO C C 18 176.412 176.599 -0.187 2
1 246 . 1 1 A 18 18 PRO CA C 18 64.656 64.042 0.614 2
1 247 . 1 1 A 18 18 PRO CB C 18 30.980 31.886 -0.906 2
1 250 . 1 1 A 19 19 HIS H H 19 7.631 7.730 -0.099 2
1 251 . 1 1 A 19 19 HIS HA H 19 4.857 4.612 0.245 2
1 256 . 1 1 A 19 19 HIS C C 19 175.822 175.113 0.709 2
1 257 . 1 1 A 19 19 HIS CA C 19 55.004 56.341 -1.337 2
1 258 . 1 1 A 19 19 HIS CB C 19 32.358 31.389 0.969 2
1 260 . 1 1 A 19 19 HIS N N 19 111.190 116.184 -4.994 2
1 263 . 1 1 A 20 20 VAL H H 20 7.124 7.336 -0.212 2
1 264 . 1 1 A 20 20 VAL HA H 20 4.728 4.466 0.262 2
1 272 . 1 1 A 20 20 VAL C C 20 175.497 175.561 -0.064 2
1 273 . 1 1 A 20 20 VAL CA C 20 60.134 60.271 -0.137 2
1 274 . 1 1 A 20 20 VAL CB C 20 34.199 33.983 0.216 2
1 277 . 1 1 A 20 20 VAL N N 20 112.191 115.503 -3.312 2
1 278 . 1 1 A 21 21 SER H H 21 8.589 8.784 -0.195 2
1 279 . 1 1 A 21 21 SER HA H 21 4.531 4.686 -0.155 2
1 282 . 1 1 A 21 21 SER C C 21 174.840 175.734 -0.894 2
1 283 . 1 1 A 21 21 SER CA C 21 57.236 57.529 -0.293 2
1 284 . 1 1 A 21 21 SER CB C 21 65.251 65.157 0.094 2
1 285 . 1 1 A 21 21 SER N N 21 116.825 118.446 -1.621 2
1 286 . 1 1 A 22 22 GLU H H 22 8.964 9.097 -0.133 2
1 287 . 1 1 A 22 22 GLU HA H 22 3.922 4.128 -0.206 2
1 292 . 1 1 A 22 22 GLU C C 22 178.606 178.762 -0.156 2
1 293 . 1 1 A 22 22 GLU CA C 22 59.837 59.560 0.277 2
1 294 . 1 1 A 22 22 GLU CB C 22 29.239 29.167 0.072 2
1 296 . 1 1 A 22 22 GLU N N 22 120.863 123.328 -2.465 2
1 297 . 1 1 A 23 23 SER H H 23 8.426 8.193 0.233 2
1 298 . 1 1 A 23 23 SER HA H 23 4.151 4.243 -0.092 2
1 301 . 1 1 A 23 23 SER C C 23 176.977 177.094 -0.117 2
1 302 . 1 1 A 23 23 SER CA C 23 61.220 61.965 -0.745 2
1 303 . 1 1 A 23 23 SER CB C 23 62.252 62.807 -0.555 2
1 304 . 1 1 A 23 23 SER N N 23 112.196 116.509 -4.313 2
1 305 . 1 1 A 24 24 THR H H 24 7.749 8.036 -0.287 2
1 306 . 1 1 A 24 24 THR HA H 24 4.163 4.328 -0.165 2
1 311 . 1 1 A 24 24 THR C C 24 176.523 177.164 -0.641 2
1 312 . 1 1 A 24 24 THR CA C 24 66.045 66.715 -0.670 2
1 313 . 1 1 A 24 24 THR CB C 24 68.305 68.473 -0.168 2
1 315 . 1 1 A 24 24 THR N N 24 120.348 117.738 2.610 2
1 316 . 1 1 A 25 25 LYS H H 25 8.605 8.217 0.388 2
1 317 . 1 1 A 25 25 LYS HA H 25 4.064 4.179 -0.115 2
1 326 . 1 1 A 25 25 LYS C C 25 178.447 179.674 -1.227 2
1 327 . 1 1 A 25 25 LYS CA C 25 61.087 60.175 0.912 2
1 328 . 1 1 A 25 25 LYS CB C 25 32.717 32.282 0.435 2
1 332 . 1 1 A 25 25 LYS N N 25 123.593 120.529 3.064 2
1 333 . 1 1 A 26 26 ARG H H 26 7.485 7.968 -0.483 2
1 334 . 1 1 A 26 26 ARG HA H 26 4.146 4.113 0.033 2
1 341 . 1 1 A 26 26 ARG C C 26 179.845 179.146 0.699 2
1 342 . 1 1 A 26 26 ARG CA C 26 58.916 59.295 -0.379 2
1 343 . 1 1 A 26 26 ARG CB C 26 30.384 29.781 0.603 2
1 346 . 1 1 A 26 26 ARG N N 26 114.116 119.537 -5.421 2
1 347 . 1 1 A 27 27 HIS H H 27 7.677 8.020 -0.343 2
1 348 . 1 1 A 27 27 HIS HA H 27 4.757 4.411 0.346 2
1 353 . 1 1 A 27 27 HIS C C 27 179.743 177.447 2.296 2
1 354 . 1 1 A 27 27 HIS CA C 27 58.659 59.235 -0.576 2
1 355 . 1 1 A 27 27 HIS CB C 27 30.967 30.139 0.828 2
1 358 . 1 1 A 27 27 HIS N N 27 119.389 118.565 0.824 2
1 361 . 1 1 A 28 28 TYR H H 28 8.119 7.996 0.123 2
1 362 . 1 1 A 28 28 TYR HA H 28 4.009 4.109 -0.100 2
1 369 . 1 1 A 28 28 TYR C C 28 178.685 178.508 0.177 2
1 370 . 1 1 A 28 28 TYR CA C 28 63.311 61.894 1.417 2
1 371 . 1 1 A 28 28 TYR CB C 28 38.879 37.391 1.488 2
1 374 . 1 1 A 28 28 TYR N N 28 121.786 117.284 4.502 2
1 375 . 1 1 A 29 29 GLU H H 29 8.631 8.748 -0.117 2
1 376 . 1 1 A 29 29 GLU HA H 29 4.067 4.222 -0.155 2
1 381 . 1 1 A 29 29 GLU C C 29 179.950 179.023 0.927 2
1 382 . 1 1 A 29 29 GLU CA C 29 59.827 59.998 -0.171 2
1 383 . 1 1 A 29 29 GLU CB C 29 29.172 29.468 -0.296 2
1 385 . 1 1 A 29 29 GLU N N 29 119.090 120.216 -1.126 2
1 386 . 1 1 A 30 30 SER H H 30 8.307 8.362 -0.055 2
1 387 . 1 1 A 30 30 SER HA H 30 4.467 4.277 0.190 2
1 390 . 1 1 A 30 30 SER C C 30 177.445 176.860 0.585 2
1 391 . 1 1 A 30 30 SER CA C 30 61.068 61.918 -0.850 2
1 392 . 1 1 A 30 30 SER CB C 30 63.054 63.014 0.040 2
1 393 . 1 1 A 30 30 SER N N 30 115.027 116.528 -1.500 2
1 394 . 1 1 A 31 31 ALA H H 31 8.319 8.089 0.230 2
1 395 . 1 1 A 31 31 ALA HA H 31 4.070 4.232 -0.162 2
1 399 . 1 1 A 31 31 ALA C C 31 178.488 179.328 -0.840 2
1 400 . 1 1 A 31 31 ALA CA C 31 55.926 55.093 0.833 2
1 401 . 1 1 A 31 31 ALA CB C 31 18.510 18.755 -0.245 2
1 402 . 1 1 A 31 31 ALA N N 31 124.966 123.573 1.393 2
1 403 . 1 1 A 32 32 TYR H H 32 8.537 8.919 -0.382 2
1 404 . 1 1 A 32 32 TYR HA H 32 4.114 4.227 -0.113 2
1 411 . 1 1 A 32 32 TYR C C 32 175.705 177.962 -2.257 2
1 412 . 1 1 A 32 32 TYR CA C 32 60.480 62.144 -1.664 2
1 413 . 1 1 A 32 32 TYR CB C 32 37.864 39.129 -1.265 2
1 416 . 1 1 A 32 32 TYR N N 32 116.814 120.164 -3.350 2
1 417 . 1 1 A 33 33 LYS H H 33 7.988 8.442 -0.454 2
1 418 . 1 1 A 33 33 LYS HA H 33 3.513 3.851 -0.338 2
1 427 . 1 1 A 33 33 LYS C C 33 178.474 179.065 -0.591 2
1 428 . 1 1 A 33 33 LYS CA C 33 59.810 59.205 0.605 2
1 429 . 1 1 A 33 33 LYS CB C 33 32.000 32.048 -0.048 2
1 433 . 1 1 A 33 33 LYS N N 33 119.358 118.449 0.909 2
1 434 . 1 1 A 34 34 HIS H H 34 8.187 7.704 0.483 2
1 435 . 1 1 A 34 34 HIS HA H 34 4.449 4.594 -0.145 2
1 440 . 1 1 A 34 34 HIS C C 34 178.948 178.093 0.855 2
1 441 . 1 1 A 34 34 HIS CA C 34 60.883 60.487 0.396 2
1 442 . 1 1 A 34 34 HIS CB C 34 28.843 31.074 -2.231 2
1 445 . 1 1 A 34 34 HIS N N 34 116.156 118.646 -2.490 2
1 448 . 1 1 A 35 35 ILE H H 35 8.676 8.406 0.270 2
1 449 . 1 1 A 35 35 ILE HA H 35 3.513 3.535 -0.022 2
1 459 . 1 1 A 35 35 ILE C C 35 177.630 178.372 -0.742 2
1 460 . 1 1 A 35 35 ILE CA C 35 65.690 65.270 0.420 2
1 461 . 1 1 A 35 35 ILE CB C 35 38.481 37.556 0.925 2
1 465 . 1 1 A 35 35 ILE N N 35 121.824 120.471 1.353 2
1 466 . 1 1 A 36 36 LYS H H 36 8.797 8.424 0.373 2
1 467 . 1 1 A 36 36 LYS HA H 36 3.712 3.985 -0.273 2
1 476 . 1 1 A 36 36 LYS C C 36 179.397 178.055 1.342 2
1 477 . 1 1 A 36 36 LYS CA C 36 59.860 58.945 0.915 2
1 478 . 1 1 A 36 36 LYS CB C 36 31.878 31.725 0.153 2
1 482 . 1 1 A 36 36 LYS N N 36 121.589 120.652 0.937 2
1 483 . 1 1 A 37 37 ASP H H 37 8.246 7.915 0.331 2
1 484 . 1 1 A 37 37 ASP HA H 37 4.336 4.334 0.002 2
1 487 . 1 1 A 37 37 ASP C C 37 177.234 178.175 -0.941 2
1 488 . 1 1 A 37 37 ASP CA C 37 56.932 57.178 -0.246 2
1 489 . 1 1 A 37 37 ASP CB C 37 40.576 41.309 -0.733 2
1 490 . 1 1 A 37 37 ASP N N 37 118.225 119.732 -1.507 2
1 491 . 1 1 A 38 38 HIS H H 38 7.867 7.766 0.101 2
1 492 . 1 1 A 38 38 HIS HA H 38 4.284 4.330 -0.046 2
1 496 . 1 1 A 38 38 HIS C C 38 176.839 175.393 1.446 2
1 497 . 1 1 A 38 38 HIS CA C 38 59.389 58.840 0.549 2
1 498 . 1 1 A 38 38 HIS CB C 38 31.630 30.822 0.808 2
1 500 . 1 1 A 38 38 HIS N N 38 115.487 115.827 -0.340 2
1 501 . 1 1 A 39 39 PHE H H 39 9.082 8.583 0.499 2
1 502 . 1 1 A 39 39 PHE HA H 39 4.369 4.843 -0.474 2
1 510 . 1 1 A 39 39 PHE C C 39 175.890 175.477 0.413 2
1 511 . 1 1 A 39 39 PHE CA C 39 60.159 56.229 3.930 2
1 512 . 1 1 A 39 39 PHE CB C 39 38.850 37.972 0.878 2
1 516 . 1 1 A 39 39 PHE N N 39 114.327 115.858 -1.531 2
1 517 . 1 1 A 40 40 ARG H H 40 8.104 8.299 -0.195 2
1 518 . 1 1 A 40 40 ARG HA H 40 3.921 4.360 -0.439 2
1 525 . 1 1 A 40 40 ARG C C 40 176.892 177.004 -0.112 2
1 526 . 1 1 A 40 40 ARG CA C 40 58.009 57.646 0.363 2
1 527 . 1 1 A 40 40 ARG CB C 40 27.531 30.557 -3.026 2
1 530 . 1 1 A 40 40 ARG N N 40 118.379 123.815 -5.436 2
1 531 . 1 1 A 41 41 HIS H H 41 8.589 8.356 0.233 2
1 532 . 1 1 A 41 41 HIS HA H 41 4.910 4.588 0.322 2
1 536 . 1 1 A 41 41 HIS C C 41 174.835 174.353 0.482 2
1 537 . 1 1 A 41 41 HIS CA C 41 55.473 56.074 -0.601 2
1 538 . 1 1 A 41 41 HIS CB C 41 29.720 28.888 0.832 2
1 540 . 1 1 A 41 41 HIS N N 41 123.828 115.693 8.135 2
1 541 . 1 1 A 42 42 LYS H H 42 8.326 7.849 0.477 2
1 542 . 1 1 A 42 42 LYS HA H 42 4.181 4.518 -0.337 2
1 551 . 1 1 A 42 42 LYS C C 42 177.973 176.516 1.457 2
1 552 . 1 1 A 42 42 LYS CA C 42 58.201 56.129 2.072 2
1 553 . 1 1 A 42 42 LYS CB C 42 33.047 33.814 -0.767 2
1 557 . 1 1 A 42 42 LYS N N 42 121.129 121.251 -0.122 2
1 558 . 1 1 A 43 43 LEU H H 43 9.243 8.601 0.642 2
1 559 . 1 1 A 43 43 LEU HA H 43 4.346 4.464 -0.118 2
1 569 . 1 1 A 43 43 LEU C C 43 177.840 178.250 -0.410 2
1 570 . 1 1 A 43 43 LEU CA C 43 55.420 54.908 0.512 2
1 571 . 1 1 A 43 43 LEU CB C 43 40.936 42.285 -1.349 2
1 575 . 1 1 A 43 43 LEU N N 43 124.529 127.721 -3.191 2
1 576 . 1 1 A 44 44 LEU H H 44 8.404 8.694 -0.290 2
1 577 . 1 1 A 44 44 LEU HA H 44 3.681 4.051 -0.369 2
1 587 . 1 1 A 44 44 LEU C C 44 177.962 177.804 0.158 2
1 588 . 1 1 A 44 44 LEU CA C 44 58.773 58.256 0.517 2
1 589 . 1 1 A 44 44 LEU CB C 44 42.661 41.374 1.287 2
1 593 . 1 1 A 44 44 LEU N N 44 123.643 125.180 -1.537 2
1 594 . 1 1 A 45 45 LYS HA H 45 4.126 4.155 -0.029 2
1 603 . 1 1 A 45 45 LYS C C 45 175.533 176.895 -1.362 2
1 604 . 1 1 A 45 45 LYS CA C 45 57.405 57.943 -0.538 2
1 605 . 1 1 A 45 45 LYS CB C 45 31.650 32.174 -0.524 2
1 609 . 1 1 A 46 46 ASP H H 46 7.520 7.936 -0.416 2
1 610 . 1 1 A 46 46 ASP HA H 46 4.888 4.710 0.178 2
1 613 . 1 1 A 46 46 ASP C C 46 175.811 176.102 -0.291 2
1 614 . 1 1 A 46 46 ASP CA C 46 54.268 53.783 0.485 2
1 615 . 1 1 A 46 46 ASP CB C 46 42.178 41.190 0.988 2
1 616 . 1 1 A 46 46 ASP N N 46 118.587 119.165 -0.578 2
1 617 . 1 1 A 47 47 ILE H H 47 6.965 7.229 -0.264 2
1 618 . 1 1 A 47 47 ILE HA H 47 4.048 3.943 0.105 2
1 628 . 1 1 A 47 47 ILE C C 47 175.362 175.168 0.194 2
1 629 . 1 1 A 47 47 ILE CA C 47 59.826 61.224 -1.398 2
1 630 . 1 1 A 47 47 ILE CB C 47 34.389 37.498 -3.109 2
1 634 . 1 1 A 47 47 ILE N N 47 119.126 121.988 -2.862 2
1 635 . 1 1 A 48 48 LYS H H 48 8.489 8.787 -0.298 2
1 636 . 1 1 A 48 48 LYS HA H 48 4.635 4.372 0.263 2
1 645 . 1 1 A 48 48 LYS C C 48 177.252 177.944 -0.692 2
1 646 . 1 1 A 48 48 LYS CA C 48 54.357 55.791 -1.434 2
1 647 . 1 1 A 48 48 LYS CB C 48 34.753 33.410 1.343 2
1 651 . 1 1 A 48 48 LYS N N 48 127.892 127.723 0.169 2
1 652 . 1 1 A 49 49 ARG H H 49 8.816 8.756 0.060 2
1 653 . 1 1 A 49 49 ARG HA H 49 4.314 4.114 0.200 2
1 660 . 1 1 A 49 49 ARG C C 49 178.464 178.153 0.311 2
1 661 . 1 1 A 49 49 ARG CA C 49 60.341 59.018 1.323 2
1 662 . 1 1 A 49 49 ARG CB C 49 30.197 29.944 0.253 2
1 665 . 1 1 A 49 49 ARG N N 49 122.736 123.210 -0.474 2
1 666 . 1 1 A 50 50 THR H H 50 8.269 8.090 0.179 2
1 667 . 1 1 A 50 50 THR HA H 50 4.079 4.028 0.051 2
1 672 . 1 1 A 50 50 THR C C 50 177.316 177.049 0.267 2
1 673 . 1 1 A 50 50 THR CA C 50 65.501 66.018 -0.517 2
1 674 . 1 1 A 50 50 THR CB C 50 67.951 68.249 -0.298 2
1 676 . 1 1 A 50 50 THR N N 50 110.696 113.526 -2.830 2
1 677 . 1 1 A 51 51 GLU H H 51 7.260 8.143 -0.883 2
1 678 . 1 1 A 51 51 GLU HA H 51 4.239 4.153 0.086 2
1 683 . 1 1 A 51 51 GLU C C 51 179.621 178.825 0.796 2
1 684 . 1 1 A 51 51 GLU CA C 51 58.921 59.842 -0.921 2
1 685 . 1 1 A 51 51 GLU CB C 51 29.916 29.482 0.434 2
1 687 . 1 1 A 51 51 GLU N N 51 121.344 121.816 -0.472 2
1 688 . 1 1 A 52 52 TYR H H 52 8.678 8.507 0.171 2
1 689 . 1 1 A 52 52 TYR HA H 52 4.376 4.340 0.036 2
1 697 . 1 1 A 52 52 TYR C C 52 176.120 177.688 -1.568 2
1 698 . 1 1 A 52 52 TYR CA C 52 62.660 61.696 0.964 2
1 699 . 1 1 A 52 52 TYR CB C 52 38.206 38.542 -0.337 2
1 702 . 1 1 A 52 52 TYR N N 52 122.483 121.655 0.828 2
1 703 . 1 1 A 53 53 GLN H H 53 8.801 8.281 0.520 2
1 704 . 1 1 A 53 53 GLN HA H 53 3.721 3.839 -0.118 2
1 711 . 1 1 A 53 53 GLN C C 53 177.894 178.283 -0.389 2
1 712 . 1 1 A 53 53 GLN CA C 53 58.111 58.719 -0.608 2
1 713 . 1 1 A 53 53 GLN CB C 53 28.909 28.454 0.455 2
1 715 . 1 1 A 53 53 GLN N N 53 118.817 118.159 0.659 2
1 717 . 1 1 A 54 54 LYS H H 54 7.685 7.835 -0.150 2
1 718 . 1 1 A 54 54 LYS HA H 54 4.051 4.074 -0.022 2
1 727 . 1 1 A 54 54 LYS C C 54 178.918 178.738 0.180 2
1 728 . 1 1 A 54 54 LYS CA C 54 59.845 58.992 0.854 2
1 729 . 1 1 A 54 54 LYS CB C 54 32.339 32.192 0.147 2
1 733 . 1 1 A 54 54 LYS N N 54 118.629 118.876 -0.247 2
1 734 . 1 1 A 55 55 PHE H H 55 7.533 8.056 -0.523 2
1 735 . 1 1 A 55 55 PHE HA H 55 3.660 3.865 -0.205 2
1 743 . 1 1 A 55 55 PHE C C 55 176.180 176.896 -0.716 2
1 744 . 1 1 A 55 55 PHE CA C 55 59.494 61.110 -1.616 2
1 745 . 1 1 A 55 55 PHE CB C 55 38.189 39.096 -0.907 2
1 749 . 1 1 A 55 55 PHE N N 55 120.449 120.858 -0.409 2
1 750 . 1 1 A 56 56 LEU H H 56 8.019 8.350 -0.331 2
1 751 . 1 1 A 56 56 LEU HA H 56 3.254 3.581 -0.327 2
1 761 . 1 1 A 56 56 LEU C C 56 179.581 179.081 0.500 2
1 762 . 1 1 A 56 56 LEU CA C 56 57.366 57.565 -0.199 2
1 763 . 1 1 A 56 56 LEU CB C 56 41.462 40.970 0.492 2
1 767 . 1 1 A 56 56 LEU N N 56 120.223 119.621 0.602 2
1 768 . 1 1 A 57 57 ASN H H 57 8.427 8.552 -0.125 2
1 769 . 1 1 A 57 57 ASN HA H 57 4.324 4.404 -0.080 2
1 774 . 1 1 A 57 57 ASN C C 57 178.105 178.028 0.077 2
1 775 . 1 1 A 57 57 ASN CA C 57 55.194 56.546 -1.352 2
1 776 . 1 1 A 57 57 ASN CB C 57 36.948 38.115 -1.167 2
1 777 . 1 1 A 57 57 ASN N N 57 118.422 118.162 0.260 2
1 779 . 1 1 A 58 58 GLU H H 58 7.873 8.039 -0.166 2
1 780 . 1 1 A 58 58 GLU HA H 58 4.063 4.070 -0.007 2
1 785 . 1 1 A 58 58 GLU C C 58 179.660 178.628 1.032 2
1 786 . 1 1 A 58 58 GLU CA C 58 59.064 59.082 -0.018 2
1 787 . 1 1 A 58 58 GLU CB C 58 29.592 29.404 0.188 2
1 789 . 1 1 A 58 58 GLU N N 58 121.129 119.569 1.560 2
1 790 . 1 1 A 59 59 TYR H H 59 8.638 7.828 0.810 2
1 791 . 1 1 A 59 59 TYR HA H 59 3.949 4.015 -0.066 2
1 798 . 1 1 A 59 59 TYR C C 59 179.907 178.150 1.757 2
1 799 . 1 1 A 59 59 TYR CA C 59 61.870 60.953 0.917 2
1 800 . 1 1 A 59 59 TYR CB C 59 38.156 38.100 0.056 2
1 803 . 1 1 A 59 59 TYR N N 59 124.461 121.221 3.240 2
1 804 . 1 1 A 60 60 GLY H H 60 8.925 8.585 0.340 2
1 805 . 1 1 A 60 60 GLY HA2 H 60 3.947 3.932 0.015 2
1 806 . 1 1 A 60 60 GLY HA3 H 60 4.175 3.945 0.230 2
1 807 . 1 1 A 60 60 GLY C C 60 173.294 174.882 -1.588 2
1 808 . 1 1 A 60 60 GLY CA C 60 46.424 46.040 0.384 2
1 809 . 1 1 A 60 60 GLY N N 60 107.578 106.239 1.339 2
1 810 . 1 1 A 61 61 LEU H H 61 7.448 7.669 -0.221 2
1 811 . 1 1 A 61 61 LEU HA H 61 4.238 4.282 -0.044 2
1 821 . 1 1 A 61 61 LEU C C 61 179.159 177.881 1.278 2
1 822 . 1 1 A 61 61 LEU CA C 61 57.274 55.898 1.376 2
1 823 . 1 1 A 61 61 LEU CB C 61 42.304 42.256 0.048 2
1 827 . 1 1 A 61 61 LEU N N 61 118.202 120.459 -2.257 2
1 828 . 1 1 A 62 62 THR H H 62 6.974 7.278 -0.304 2
1 829 . 1 1 A 62 62 THR HA H 62 4.385 4.487 -0.102 2
1 834 . 1 1 A 62 62 THR C C 62 173.170 173.486 -0.316 2
1 835 . 1 1 A 62 62 THR CA C 62 59.813 61.402 -1.589 2
1 836 . 1 1 A 62 62 THR CB C 62 69.697 70.128 -0.431 2
1 838 . 1 1 A 62 62 THR N N 62 101.223 105.601 -4.378 2
1 839 . 1 1 A 63 63 HIS H H 63 7.041 7.574 -0.533 2
1 840 . 1 1 A 63 63 HIS HA H 63 4.861 4.974 -0.113 2
1 845 . 1 1 A 63 63 HIS C C 63 172.567 174.584 -2.017 2
1 846 . 1 1 A 63 63 HIS CA C 63 55.522 54.336 1.186 2
1 847 . 1 1 A 63 63 HIS CB C 63 32.328 33.159 -0.831 2
1 850 . 1 1 A 63 63 HIS N N 63 116.818 119.657 -2.839 2
1 853 . 1 1 A 64 64 SER H H 64 8.717 8.681 0.036 2
1 854 . 1 1 A 64 64 SER HA H 64 4.582 4.592 -0.010 2
1 857 . 1 1 A 64 64 SER C C 64 174.545 175.063 -0.518 2
1 858 . 1 1 A 64 64 SER CA C 64 57.169 57.891 -0.722 2
1 859 . 1 1 A 64 64 SER CB C 64 65.484 64.571 0.913 2
1 860 . 1 1 A 64 64 SER N N 64 116.128 116.655 -0.527 2
1 861 . 1 1 A 65 65 TYR H H 65 9.054 9.184 -0.130 2
1 862 . 1 1 A 65 65 TYR HA H 65 4.059 4.136 -0.077 2
1 869 . 1 1 A 65 65 TYR C C 65 176.918 177.597 -0.679 2
1 870 . 1 1 A 65 65 TYR CA C 65 61.906 62.531 -0.625 2
1 871 . 1 1 A 65 65 TYR CB C 65 38.185 38.742 -0.557 2
1 874 . 1 1 A 65 65 TYR N N 65 121.679 125.072 -3.393 2
1 875 . 1 1 A 66 66 GLU H H 66 8.965 8.332 0.633 2
1 876 . 1 1 A 66 66 GLU HA H 66 3.888 3.922 -0.034 2
1 881 . 1 1 A 66 66 GLU C C 66 178.764 179.181 -0.417 2
1 882 . 1 1 A 66 66 GLU CA C 66 59.329 59.208 0.121 2
1 883 . 1 1 A 66 66 GLU CB C 66 28.874 29.357 -0.483 2
1 885 . 1 1 A 66 66 GLU N N 66 117.723 119.027 -1.304 2
1 886 . 1 1 A 67 67 THR H H 67 7.626 8.108 -0.482 2
1 887 . 1 1 A 67 67 THR HA H 67 3.864 4.109 -0.245 2
1 892 . 1 1 A 67 67 THR C C 67 176.681 176.404 0.277 2
1 893 . 1 1 A 67 67 THR CA C 67 66.368 67.122 -0.754 2
1 894 . 1 1 A 67 67 THR CB C 67 68.290 68.340 -0.050 2
1 896 . 1 1 A 67 67 THR N N 67 116.084 117.120 -1.036 2
1 897 . 1 1 A 68 68 ILE H H 68 8.324 8.041 0.283 2
1 898 . 1 1 A 68 68 ILE HA H 68 3.686 3.836 -0.150 2
1 908 . 1 1 A 68 68 ILE C C 68 176.527 177.427 -0.900 2
1 909 . 1 1 A 68 68 ILE CA C 68 65.205 62.788 2.417 2
1 910 . 1 1 A 68 68 ILE CB C 68 38.355 37.668 0.687 2
1 914 . 1 1 A 68 68 ILE N N 68 123.174 120.693 2.481 2
1 915 . 1 1 A 69 69 ARG H H 69 8.407 8.072 0.335 2
1 916 . 1 1 A 69 69 ARG HA H 69 3.673 3.666 0.007 2
1 923 . 1 1 A 69 69 ARG C C 69 179.687 178.535 1.152 2
1 924 . 1 1 A 69 69 ARG CA C 69 59.577 59.659 -0.082 2
1 925 . 1 1 A 69 69 ARG CB C 69 29.560 29.526 0.034 2
1 928 . 1 1 A 69 69 ARG N N 69 121.358 121.805 -0.447 2
1 929 . 1 1 A 70 70 LYS H H 70 7.562 7.802 -0.240 2
1 930 . 1 1 A 70 70 LYS HA H 70 3.617 3.755 -0.138 2
1 939 . 1 1 A 70 70 LYS C C 70 177.129 178.198 -1.069 2
1 940 . 1 1 A 70 70 LYS CA C 70 59.380 58.841 0.539 2
1 941 . 1 1 A 70 70 LYS CB C 70 31.978 31.873 0.105 2
1 945 . 1 1 A 70 70 LYS N N 70 120.218 118.420 1.798 2
1 946 . 1 1 A 71 71 LEU H H 71 7.640 8.032 -0.392 2
1 947 . 1 1 A 71 71 LEU HA H 71 3.629 3.883 -0.254 2
1 957 . 1 1 A 71 71 LEU C C 71 178.157 178.294 -0.137 2
1 958 . 1 1 A 71 71 LEU CA C 71 58.477 58.189 0.288 2
1 959 . 1 1 A 71 71 LEU CB C 71 41.262 41.331 -0.069 2
1 963 . 1 1 A 71 71 LEU N N 71 119.991 121.404 -1.413 2
1 964 . 1 1 A 72 72 ASN H H 72 8.474 8.384 0.090 2
1 965 . 1 1 A 72 72 ASN HA H 72 4.485 4.720 -0.235 2
1 970 . 1 1 A 72 72 ASN C C 72 176.285 177.510 -1.225 2
1 971 . 1 1 A 72 72 ASN CA C 72 56.424 56.825 -0.401 2
1 972 . 1 1 A 72 72 ASN CB C 72 39.544 39.549 -0.005 2
1 973 . 1 1 A 72 72 ASN N N 72 114.097 117.526 -3.429 2
1 975 . 1 1 A 73 73 SER H H 73 7.878 7.883 -0.005 2
1 976 . 1 1 A 73 73 SER HA H 73 4.177 4.200 -0.023 2
1 979 . 1 1 A 73 73 SER C C 73 176.734 176.862 -0.128 2
1 980 . 1 1 A 73 73 SER CA C 73 61.741 61.485 0.256 2
1 981 . 1 1 A 73 73 SER CB C 73 62.573 62.949 -0.376 2
1 982 . 1 1 A 73 73 SER N N 73 115.022 114.882 0.140 2
1 983 . 1 1 A 74 74 TYR H H 74 8.078 7.678 0.400 2
1 984 . 1 1 A 74 74 TYR HA H 74 5.168 4.634 0.534 2
1 991 . 1 1 A 74 74 TYR C C 74 178.436 178.477 -0.041 2
1 992 . 1 1 A 74 74 TYR CA C 74 58.023 61.386 -3.363 2
1 993 . 1 1 A 74 74 TYR CB C 74 37.835 38.465 -0.630 2
1 996 . 1 1 A 74 74 TYR N N 74 122.937 119.213 3.724 2
1 997 . 1 1 A 75 75 ILE H H 75 8.264 8.608 -0.344 2
1 998 . 1 1 A 75 75 ILE HA H 75 3.647 3.921 -0.274 2
1 1008 . 1 1 A 75 75 ILE C C 75 177.656 178.099 -0.443 2
1 1009 . 1 1 A 75 75 ILE CA C 75 66.349 65.466 0.883 2
1 1010 . 1 1 A 75 75 ILE CB C 75 37.494 37.797 -0.303 2
1 1014 . 1 1 A 75 75 ILE N N 75 119.080 120.361 -1.281 2
1 1015 . 1 1 A 76 76 ARG H H 76 9.316 8.531 0.785 2
1 1016 . 1 1 A 76 76 ARG HA H 76 3.896 4.023 -0.127 2
1 1024 . 1 1 A 76 76 ARG C C 76 179.033 178.864 0.169 2
1 1025 . 1 1 A 76 76 ARG CA C 76 60.536 59.831 0.705 2
1 1026 . 1 1 A 76 76 ARG CB C 76 30.238 29.994 0.244 2
1 1029 . 1 1 A 76 76 ARG N N 76 121.985 120.953 1.032 2
1 1031 . 1 1 A 77 77 ASN H H 77 8.003 8.307 -0.304 2
1 1032 . 1 1 A 77 77 ASN HA H 77 4.605 4.560 0.045 2
1 1037 . 1 1 A 77 77 ASN C C 77 177.146 177.428 -0.282 2
1 1038 . 1 1 A 77 77 ASN CA C 77 55.755 56.519 -0.764 2
1 1039 . 1 1 A 77 77 ASN CB C 77 38.857 38.951 -0.094 2
1 1040 . 1 1 A 77 77 ASN N N 77 117.750 117.902 -0.152 2
1 1042 . 1 1 A 78 78 ALA H H 78 8.082 7.691 0.391 2
1 1043 . 1 1 A 78 78 ALA HA H 78 2.351 2.798 -0.447 2
1 1047 . 1 1 A 78 78 ALA C C 78 181.084 179.611 1.473 2
1 1048 . 1 1 A 78 78 ALA CA C 78 54.703 54.342 0.361 2
1 1049 . 1 1 A 78 78 ALA CB C 78 16.121 17.739 -1.618 2
1 1050 . 1 1 A 78 78 ALA N N 78 124.770 121.805 2.965 2
1 1051 . 1 1 A 79 79 PHE H H 79 8.603 7.947 0.656 2
1 1052 . 1 1 A 79 79 PHE HA H 79 3.974 4.226 -0.252 2
1 1060 . 1 1 A 79 79 PHE C C 79 177.841 177.858 -0.017 2
1 1061 . 1 1 A 79 79 PHE CA C 79 63.302 61.708 1.594 2
1 1062 . 1 1 A 79 79 PHE CB C 79 40.594 38.444 2.150 2
1 1066 . 1 1 A 79 79 PHE N N 79 116.847 115.728 1.119 2
1 1067 . 1 1 A 80 80 ASP H H 80 8.298 8.656 -0.358 2
1 1068 . 1 1 A 80 80 ASP HA H 80 4.620 4.338 0.282 2
1 1071 . 1 1 A 80 80 ASP C C 80 179.845 178.082 1.763 2
1 1072 . 1 1 A 80 80 ASP CA C 80 57.957 57.874 0.083 2
1 1073 . 1 1 A 80 80 ASP CB C 80 39.595 41.609 -2.014 2
1 1074 . 1 1 A 80 80 ASP N N 80 121.362 120.069 1.293 2
1 1075 . 1 1 A 81 81 ASP H H 81 8.051 8.246 -0.195 2
1 1076 . 1 1 A 81 81 ASP HA H 81 4.724 4.461 0.263 2
1 1079 . 1 1 A 81 81 ASP C C 81 177.963 178.283 -0.320 2
1 1080 . 1 1 A 81 81 ASP CA C 81 57.537 57.552 -0.015 2
1 1081 . 1 1 A 81 81 ASP CB C 81 39.463 41.181 -1.718 2
1 1082 . 1 1 A 81 81 ASP N N 81 122.166 119.372 2.794 2
1 1083 . 1 1 A 82 82 ALA H H 82 8.025 7.756 0.269 2
1 1084 . 1 1 A 82 82 ALA HA H 82 4.106 4.246 -0.140 2
1 1088 . 1 1 A 82 82 ALA C C 82 180.223 179.857 0.366 2
1 1089 . 1 1 A 82 82 ALA CA C 82 55.194 55.231 -0.037 2
1 1090 . 1 1 A 82 82 ALA CB C 82 17.947 18.338 -0.391 2
1 1091 . 1 1 A 82 82 ALA N N 82 124.747 121.777 2.970 2
1 1092 . 1 1 A 83 83 ILE H H 83 8.327 8.515 -0.188 2
1 1093 . 1 1 A 83 83 ILE HA H 83 4.235 3.994 0.241 2
1 1103 . 1 1 A 83 83 ILE C C 83 180.768 177.981 2.787 2
1 1104 . 1 1 A 83 83 ILE CA C 83 63.966 63.925 0.041 2
1 1105 . 1 1 A 83 83 ILE CB C 83 38.254 37.769 0.485 2
1 1109 . 1 1 A 83 83 ILE N N 83 120.907 119.066 1.841 2
1 1110 . 1 1 A 84 84 HIS H H 84 7.934 8.187 -0.253 2
1 1111 . 1 1 A 84 84 HIS HA H 84 4.434 4.232 0.202 2
1 1116 . 1 1 A 84 84 HIS C C 84 178.250 176.816 1.434 2
1 1117 . 1 1 A 84 84 HIS CA C 84 59.042 59.581 -0.539 2
1 1118 . 1 1 A 84 84 HIS CB C 84 28.750 29.858 -1.108 2
1 1121 . 1 1 A 84 84 HIS N N 84 121.346 120.929 0.417 2
1 1124 . 1 1 A 85 85 GLU H H 85 8.074 7.904 0.170 2
1 1125 . 1 1 A 85 85 GLU HA H 85 4.192 4.303 -0.111 2
1 1130 . 1 1 A 85 85 GLU C C 85 176.510 176.930 -0.420 2
1 1131 . 1 1 A 85 85 GLU CA C 85 56.512 56.623 -0.111 2
1 1132 . 1 1 A 85 85 GLU CB C 85 30.284 30.646 -0.362 2
1 1134 . 1 1 A 85 85 GLU N N 85 115.467 116.794 -1.327 2
1 1135 . 1 1 A 86 86 GLY H H 86 7.715 7.908 -0.193 2
1 1136 . 1 1 A 86 86 GLY HA2 H 86 3.844 4.005 -0.161 2
1 1137 . 1 1 A 86 86 GLY HA3 H 86 4.136 4.014 0.122 2
1 1138 . 1 1 A 86 86 GLY C C 86 175.243 174.594 0.649 2
1 1139 . 1 1 A 86 86 GLY CA C 86 45.108 45.838 -0.730 2
1 1140 . 1 1 A 86 86 GLY N N 86 105.999 108.151 -2.152 2
1 1141 . 1 1 A 87 87 TYR H H 87 8.173 8.359 -0.186 2
1 1142 . 1 1 A 87 87 TYR HA H 87 4.396 4.278 0.118 2
1 1149 . 1 1 A 87 87 TYR CA C 87 59.317 60.647 -1.330 2
1 1150 . 1 1 A 87 87 TYR CB C 87 39.558 39.711 -0.153 2
1 1153 . 1 1 A 87 87 TYR N N 87 118.412 121.334 -2.922 2
1 1154 . 1 1 A 88 88 VAL HA H 88 4.583 4.495 0.088 2
1 1162 . 1 1 A 88 88 VAL CB C 88 36.112 34.699 1.413 2
1 1165 . 1 1 A 89 89 ILE HA H 89 4.426 4.185 0.241 2
1 1175 . 1 1 A 89 89 ILE CA C 89 61.984 62.117 -0.133 2
1 1176 . 1 1 A 89 89 ILE CB C 89 39.850 38.931 0.919 2
1 1180 . 1 1 A 90 90 LYS H H 90 7.387 7.856 -0.469 2
1 1181 . 1 1 A 90 90 LYS HA H 90 4.508 4.500 0.008 2
1 1190 . 1 1 A 90 90 LYS C C 90 174.665 175.169 -0.504 2
1 1191 . 1 1 A 90 90 LYS CA C 90 54.111 55.437 -1.326 2
1 1192 . 1 1 A 90 90 LYS CB C 90 35.086 34.495 0.591 2
1 1196 . 1 1 A 91 91 ASN H H 91 8.803 8.545 0.258 2
1 1197 . 1 1 A 91 91 ASN HA H 91 4.279 4.642 -0.363 2
1 1202 . 1 1 A 91 91 ASN CB C 91 38.879 38.962 -0.083 2
1 1203 . 1 1 A 91 91 ASN N N 91 120.903 119.899 1.004 2
1 1205 . 1 1 A 92 92 PRO HA H 92 4.206 4.269 -0.063 2
1 1212 . 1 1 A 92 92 PRO C C 92 174.751 176.873 -2.122 2
1 1213 . 1 1 A 92 92 PRO CA C 92 63.927 63.575 0.352 2
1 1214 . 1 1 A 92 92 PRO CB C 92 30.969 31.727 -0.758 2
1 1217 . 1 1 A 93 93 THR H H 93 7.441 7.607 -0.166 2
1 1218 . 1 1 A 93 93 THR HA H 93 4.093 4.283 -0.190 2
1 1224 . 1 1 A 93 93 THR C C 93 175.922 174.979 0.943 2
1 1225 . 1 1 A 93 93 THR CA C 93 62.221 62.386 -0.165 2
1 1226 . 1 1 A 93 93 THR CB C 93 69.463 68.527 0.936 2
1 1228 . 1 1 A 93 93 THR N N 93 105.991 110.657 -4.666 2
1 1229 . 1 1 A 94 94 TYR H H 94 7.139 8.060 -0.921 2
1 1230 . 1 1 A 94 94 TYR HA H 94 4.393 4.266 0.127 2
1 1237 . 1 1 A 94 94 TYR C C 94 176.180 176.656 -0.476 2
1 1238 . 1 1 A 94 94 TYR CA C 94 58.272 60.770 -2.498 2
1 1239 . 1 1 A 94 94 TYR CB C 94 37.490 39.150 -1.660 2
1 1242 . 1 1 A 94 94 TYR N N 94 124.098 123.562 0.536 2
1 1243 . 1 1 A 95 95 LYS H H 95 8.904 7.898 1.006 2
1 1244 . 1 1 A 95 95 LYS HA H 95 3.758 4.313 -0.555 2
1 1253 . 1 1 A 95 95 LYS C C 95 175.547 175.851 -0.304 2
1 1254 . 1 1 A 95 95 LYS CA C 95 57.078 55.894 1.184 2
1 1255 . 1 1 A 95 95 LYS CB C 95 29.962 32.375 -2.413 2
1 1259 . 1 1 A 95 95 LYS N N 95 121.317 118.491 2.826 2
1 1260 . 1 1 A 96 96 ALA H H 96 7.583 7.820 -0.237 2
1 1261 . 1 1 A 96 96 ALA HA H 96 4.157 4.614 -0.457 2
1 1265 . 1 1 A 96 96 ALA C C 96 177.630 176.422 1.208 2
1 1266 . 1 1 A 96 96 ALA CA C 96 53.298 51.719 1.579 2
1 1267 . 1 1 A 96 96 ALA CB C 96 18.807 19.659 -0.852 2
1 1268 . 1 1 A 96 96 ALA N N 96 121.832 124.176 -2.344 2
1 1269 . 1 1 A 97 97 GLU H H 97 9.243 8.660 0.583 2
1 1270 . 1 1 A 97 97 GLU HA H 97 4.347 4.771 -0.424 2
1 1275 . 1 1 A 97 97 GLU C C 97 175.890 175.522 0.368 2
1 1276 . 1 1 A 97 97 GLU CA C 97 55.198 55.353 -0.155 2
1 1277 . 1 1 A 97 97 GLU CB C 97 30.931 31.762 -0.831 2
1 1279 . 1 1 A 97 97 GLU N N 97 121.989 121.676 0.313 2
1 1280 . 1 1 A 98 98 LEU H H 98 8.401 8.817 -0.416 2
1 1281 . 1 1 A 98 98 LEU HA H 98 4.277 4.574 -0.297 2
1 1291 . 1 1 A 98 98 LEU C C 98 175.738 175.576 0.162 2
1 1292 . 1 1 A 98 98 LEU CA C 98 54.337 54.238 0.099 2
1 1293 . 1 1 A 98 98 LEU CB C 98 41.634 41.057 0.577 2
1 1297 . 1 1 A 98 98 LEU N N 98 123.414 125.102 -1.688 2
1 1298 . 1 1 A 99 99 HIS H H 99 8.749 8.672 0.077 2
1 1299 . 1 1 A 99 99 HIS HA H 99 4.706 4.946 -0.240 2
1 1304 . 1 1 A 99 99 HIS C C 99 173.912 173.902 0.010 2
1 1305 . 1 1 A 99 99 HIS CA C 99 55.183 54.494 0.689 2
1 1306 . 1 1 A 99 99 HIS CB C 99 29.916 29.855 0.061 2
1 1309 . 1 1 A 99 99 HIS N N 99 121.129 123.664 -2.535 2
1 1312 . 1 1 A 100 100 ALA H H 100 8.369 8.630 -0.261 2
1 1313 . 1 1 A 100 100 ALA HA H 100 4.518 4.585 -0.067 2
1 1317 . 1 1 A 100 100 ALA C C 100 177.533 177.641 -0.108 2
1 1318 . 1 1 A 100 100 ALA CA C 100 51.753 51.343 0.410 2
1 1319 . 1 1 A 100 100 ALA CB C 100 20.081 19.358 0.723 2
1 1320 . 1 1 A 100 100 ALA N N 100 125.646 129.145 -3.499 2
1 1321 . 1 1 A 101 101 SER H H 101 8.357 8.680 -0.323 2
1 1322 . 1 1 A 101 101 SER HA H 101 4.452 4.513 -0.061 2
1 1325 . 1 1 A 101 101 SER C C 101 174.729 174.936 -0.207 2
1 1326 . 1 1 A 101 101 SER CA C 101 58.781 58.904 -0.123 2
1 1327 . 1 1 A 101 101 SER CB C 101 63.865 63.183 0.682 2
1 1328 . 1 1 A 101 101 SER N N 101 115.505 119.489 -3.984 2
1 1329 . 1 1 A 102 102 VAL H H 102 7.884 7.542 0.342 2
1 1330 . 1 1 A 102 102 VAL HA H 102 4.111 3.986 0.125 2
1 1338 . 1 1 A 102 102 VAL C C 102 175.837 175.910 -0.073 2
1 1339 . 1 1 A 102 102 VAL CA C 102 62.237 64.234 -1.997 2
1 1340 . 1 1 A 102 102 VAL CB C 102 32.336 31.675 0.661 2
1 1343 . 1 1 A 102 102 VAL N N 102 120.880 121.220 -0.340 2
1 1344 . 1 1 A 103 103 LEU H H 103 8.170 7.686 0.484 2
1 1345 . 1 1 A 103 103 LEU HA H 103 4.299 4.692 -0.393 2
1 1355 . 1 1 A 103 103 LEU C C 103 177.129 176.052 1.077 2
1 1356 . 1 1 A 103 103 LEU CA C 103 54.999 53.876 1.123 2
1 1357 . 1 1 A 103 103 LEU CB C 103 42.276 42.817 -0.541 2
1 1361 . 1 1 A 103 103 LEU N N 103 124.757 121.144 3.613 2
1 1362 . 1 1 A 104 104 GLU H H 104 8.244 8.384 -0.140 2
1 1363 . 1 1 A 104 104 GLU HA H 104 4.175 4.559 -0.384 2
1 1368 . 1 1 A 104 104 GLU C C 104 176.153 176.141 0.012 2
1 1369 . 1 1 A 104 104 GLU CA C 104 56.413 56.274 0.139 2
1 1370 . 1 1 A 104 104 GLU CB C 104 30.270 30.854 -0.584 2
1 1372 . 1 1 A 104 104 GLU N N 104 121.146 122.938 -1.792 2
1 1373 . 1 1 A 105 105 HIS H H 105 8.242 8.498 -0.256 2
1 1376 . 1 1 A 105 105 HIS C C 105 174.967 174.319 0.648 2
1 1377 . 1 1 A 105 105 HIS CA C 105 56.137 55.427 0.710 2
1 1378 . 1 1 A 105 105 HIS CB C 105 30.290 31.378 -1.088 2
stop_
save_