data_15810_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15810
_Entry.PDB_ID 2K4V
_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 10 . 1 1 1 A 2 2 GLY H H 2 8.402 8.133 0.269 1
1 11 . 1 1 1 A 2 2 GLY HA2 H 2 3.903 3.869 0.034 1
1 12 . 1 1 1 A 2 2 GLY HA3 H 2 3.903 3.923 -0.020 1
1 13 . 1 1 1 A 2 2 GLY C C 2 172.919 173.973 -1.054 1
1 14 . 1 1 1 A 2 2 GLY CA C 2 45.814 47.196 -1.382 1
1 15 . 1 1 1 A 2 2 GLY N N 2 110.769 109.130 1.639 1
1 16 . 1 1 1 A 3 3 HIS H H 3 8.198 7.882 0.316 1
1 17 . 1 1 1 A 3 3 HIS N N 3 120.514 121.374 -0.860 1
1 18 . 1 1 1 A 4 4 MET HA H 4 4.688 4.851 -0.163 1
1 26 . 1 1 1 A 4 4 MET CA C 4 56.462 54.460 2.002 1
1 27 . 1 1 1 A 4 4 MET CB C 4 35.293 36.309 -1.016 1
1 30 . 1 1 1 A 5 5 PHE H H 5 8.690 9.002 -0.312 1
1 31 . 1 1 1 A 5 5 PHE HA H 5 5.254 5.385 -0.131 1
1 39 . 1 1 1 A 5 5 PHE C C 5 173.490 173.835 -0.345 1
1 40 . 1 1 1 A 5 5 PHE CA C 5 58.548 56.376 2.172 1
1 41 . 1 1 1 A 5 5 PHE CB C 5 43.312 42.941 0.371 1
1 47 . 1 1 1 A 5 5 PHE N N 5 123.462 126.995 -3.533 1
1 48 . 1 1 1 A 6 6 GLU H H 6 7.963 8.381 -0.418 1
1 49 . 1 1 1 A 6 6 GLU HA H 6 4.182 4.658 -0.476 1
1 54 . 1 1 1 A 6 6 GLU CA C 6 53.572 53.536 0.036 1
1 55 . 1 1 1 A 6 6 GLU CB C 6 31.259 32.908 -1.649 1
1 57 . 1 1 1 A 6 6 GLU N N 6 127.826 124.087 3.739 1
1 58 . 1 1 1 A 7 7 PRO HA H 7 3.783 4.283 -0.500 1
1 65 . 1 1 1 A 7 7 PRO C C 7 177.433 177.268 0.165 1
1 66 . 1 1 1 A 7 7 PRO CA C 7 66.503 63.515 2.988 1
1 67 . 1 1 1 A 7 7 PRO CB C 7 31.785 31.131 0.654 1
1 70 . 1 1 1 A 8 8 GLY H H 8 7.537 8.345 -0.808 1
1 71 . 1 1 1 A 8 8 GLY HA2 H 8 3.896 3.140 0.756 1
1 72 . 1 1 1 A 8 8 GLY HA3 H 8 2.085 3.657 -1.572 1
1 73 . 1 1 1 A 8 8 GLY C C 8 174.730 172.846 1.884 1
1 74 . 1 1 1 A 8 8 GLY CA C 8 46.895 44.680 2.215 1
1 75 . 1 1 1 A 8 8 GLY N N 8 111.178 112.522 -1.344 1
1 76 . 1 1 1 A 9 9 HIS H H 9 9.112 7.431 1.681 1
1 77 . 1 1 1 A 9 9 HIS HA H 9 5.699 5.152 0.547 1
1 81 . 1 1 1 A 9 9 HIS C C 9 170.886 172.678 -1.792 1
1 82 . 1 1 1 A 9 9 HIS CA C 9 55.252 56.059 -0.807 1
1 83 . 1 1 1 A 9 9 HIS CB C 9 32.029 32.657 -0.628 1
1 85 . 1 1 1 A 9 9 HIS N N 9 122.719 118.776 3.943 1
1 86 . 1 1 1 A 10 10 LEU H H 10 9.637 8.520 1.117 1
1 87 . 1 1 1 A 10 10 LEU HA H 10 5.198 4.940 0.258 1
1 97 . 1 1 1 A 10 10 LEU C C 10 173.565 173.483 0.082 1
1 98 . 1 1 1 A 10 10 LEU CA C 10 54.377 54.304 0.073 1
1 99 . 1 1 1 A 10 10 LEU CB C 10 46.916 45.813 1.103 1
1 103 . 1 1 1 A 10 10 LEU N N 10 130.516 126.146 4.370 1
1 104 . 1 1 1 A 11 11 HIS H H 11 9.237 9.196 0.041 1
1 105 . 1 1 1 A 11 11 HIS HA H 11 5.478 5.246 0.232 1
1 109 . 1 1 1 A 11 11 HIS C C 11 173.559 173.812 -0.253 1
1 110 . 1 1 1 A 11 11 HIS CA C 11 53.302 54.946 -1.644 1
1 111 . 1 1 1 A 11 11 HIS CB C 11 34.638 33.154 1.484 1
1 113 . 1 1 1 A 11 11 HIS N N 11 128.715 126.485 2.230 1
1 114 . 1 1 1 A 12 12 LEU H H 12 9.370 8.914 0.456 1
1 115 . 1 1 1 A 12 12 LEU HA H 12 4.863 5.054 -0.191 1
1 125 . 1 1 1 A 12 12 LEU CA C 12 54.243 53.869 0.374 1
1 126 . 1 1 1 A 12 12 LEU CB C 12 45.047 44.865 0.182 1
1 130 . 1 1 1 A 12 12 LEU N N 12 127.423 127.344 0.079 1
1 131 . 1 1 1 A 13 13 VAL HA H 13 4.847 5.112 -0.265 1
1 139 . 1 1 1 A 13 13 VAL CA C 13 60.665 59.896 0.769 1
1 140 . 1 1 1 A 13 13 VAL CB C 13 35.978 35.824 0.154 1
1 143 . 1 1 1 A 14 14 SER H H 14 8.220 8.933 -0.713 1
1 144 . 1 1 1 A 14 14 SER HA H 14 4.563 5.253 -0.690 1
1 147 . 1 1 1 A 14 14 SER CA C 14 58.588 56.922 1.666 1
1 148 . 1 1 1 A 14 14 SER CB C 14 65.442 64.546 0.896 1
1 149 . 1 1 1 A 14 14 SER N N 14 118.092 120.901 -2.809 1
1 150 . 1 1 1 A 15 15 LEU H H 15 8.965 8.500 0.465 1
1 151 . 1 1 1 A 15 15 LEU HA H 15 4.725 4.620 0.105 1
1 161 . 1 1 1 A 15 15 LEU CA C 15 53.203 53.126 0.077 1
1 162 . 1 1 1 A 15 15 LEU CB C 15 42.658 41.912 0.746 1
1 166 . 1 1 1 A 15 15 LEU N N 15 124.969 124.075 0.894 1
1 167 . 1 1 1 A 16 16 PRO HA H 16 4.326 4.298 0.028 1
1 174 . 1 1 1 A 16 16 PRO C C 16 177.551 177.336 0.215 1
1 175 . 1 1 1 A 16 16 PRO CA C 16 64.262 63.709 0.553 1
1 176 . 1 1 1 A 16 16 PRO CB C 16 32.855 31.332 1.523 1
1 179 . 1 1 1 A 17 17 GLY H H 17 8.597 8.829 -0.232 1
1 180 . 1 1 1 A 17 17 GLY HA2 H 17 4.091 3.931 0.160 1
1 181 . 1 1 1 A 17 17 GLY HA3 H 17 3.773 3.933 -0.160 1
1 182 . 1 1 1 A 17 17 GLY C C 17 173.908 174.989 -1.081 1
1 183 . 1 1 1 A 17 17 GLY CA C 17 46.155 45.304 0.851 1
1 184 . 1 1 1 A 17 17 GLY N N 17 110.651 112.081 -1.430 1
1 185 . 1 1 1 A 18 18 LEU H H 18 7.998 7.522 0.476 1
1 186 . 1 1 1 A 18 18 LEU HA H 18 4.318 4.148 0.170 1
1 192 . 1 1 1 A 18 18 LEU CA C 18 56.800 57.512 -0.712 1
1 193 . 1 1 1 A 18 18 LEU CB C 18 43.502 42.745 0.757 1
1 195 . 1 1 1 A 18 18 LEU N N 18 122.006 122.433 -0.427 1
1 196 . 1 1 1 A 19 19 ASP HA H 19 4.330 4.917 -0.587 1
1 199 . 1 1 1 A 19 19 ASP CA C 19 56.800 54.008 2.792 1
1 200 . 1 1 1 A 19 19 ASP CB C 19 43.498 43.006 0.492 1
1 201 . 1 1 1 A 20 20 GLN HA H 20 4.248 4.549 -0.301 1
1 208 . 1 1 1 A 20 20 GLN CA C 20 56.991 55.317 1.674 1
1 209 . 1 1 1 A 20 20 GLN CB C 20 31.005 27.391 3.614 1
1 212 . 1 1 1 A 21 21 GLN H H 21 7.823 7.850 -0.027 1
1 213 . 1 1 1 A 21 21 GLN HA H 21 4.478 4.773 -0.295 1
1 220 . 1 1 1 A 21 21 GLN C C 21 174.199 173.606 0.593 1
1 221 . 1 1 1 A 21 21 GLN CA C 21 56.424 54.593 1.831 1
1 222 . 1 1 1 A 21 21 GLN CB C 21 33.930 32.771 1.159 1
1 224 . 1 1 1 A 21 21 GLN N N 21 118.190 124.291 -6.101 1
1 226 . 1 1 1 A 22 22 ASP H H 22 8.549 8.687 -0.138 1
1 227 . 1 1 1 A 22 22 ASP HA H 22 4.708 4.718 -0.010 1
1 230 . 1 1 1 A 22 22 ASP C C 22 175.399 174.871 0.528 1
1 231 . 1 1 1 A 22 22 ASP CA C 22 54.415 53.661 0.754 1
1 232 . 1 1 1 A 22 22 ASP CB C 22 42.744 39.791 2.953 1
1 233 . 1 1 1 A 22 22 ASP N N 22 122.563 125.242 -2.679 1
1 234 . 1 1 1 A 23 23 ILE H H 23 8.681 8.407 0.274 1
1 235 . 1 1 1 A 23 23 ILE HA H 23 4.726 5.036 -0.310 1
1 245 . 1 1 1 A 23 23 ILE C C 23 174.896 175.222 -0.326 1
1 246 . 1 1 1 A 23 23 ILE CA C 23 60.384 59.501 0.883 1
1 247 . 1 1 1 A 23 23 ILE CB C 23 42.843 39.839 3.004 1
1 251 . 1 1 1 A 23 23 ILE N N 23 121.642 121.133 0.509 1
1 252 . 1 1 1 A 24 24 ASN H H 24 8.224 9.072 -0.848 1
1 253 . 1 1 1 A 24 24 ASN HA H 24 5.252 6.110 -0.858 1
1 258 . 1 1 1 A 24 24 ASN C C 24 174.672 173.626 1.046 1
1 259 . 1 1 1 A 24 24 ASN CA C 24 54.262 52.275 1.987 1
1 260 . 1 1 1 A 24 24 ASN CB C 24 40.495 41.767 -1.272 1
1 261 . 1 1 1 A 24 24 ASN N N 24 124.418 122.085 2.333 1
1 263 . 1 1 1 A 25 25 ILE H H 25 9.453 9.086 0.367 1
1 264 . 1 1 1 A 25 25 ILE HA H 25 4.896 4.976 -0.080 1
1 274 . 1 1 1 A 25 25 ILE C C 25 173.645 174.958 -1.313 1
1 275 . 1 1 1 A 25 25 ILE CA C 25 61.580 60.323 1.257 1
1 276 . 1 1 1 A 25 25 ILE CB C 25 44.146 42.683 1.463 1
1 280 . 1 1 1 A 25 25 ILE N N 25 122.056 123.820 -1.764 1
1 281 . 1 1 1 A 26 26 HIS H H 26 9.716 8.766 0.950 1
1 282 . 1 1 1 A 26 26 HIS HA H 26 5.404 5.628 -0.224 1
1 286 . 1 1 1 A 26 26 HIS C C 26 175.078 174.549 0.529 1
1 287 . 1 1 1 A 26 26 HIS CA C 26 55.881 54.238 1.643 1
1 288 . 1 1 1 A 26 26 HIS CB C 26 32.829 32.816 0.013 1
1 290 . 1 1 1 A 26 26 HIS N N 26 126.720 124.986 1.734 1
1 291 . 1 1 1 A 27 27 ILE H H 27 9.935 9.340 0.595 1
1 292 . 1 1 1 A 27 27 ILE HA H 27 5.096 4.908 0.188 1
1 302 . 1 1 1 A 27 27 ILE C C 27 174.860 174.442 0.418 1
1 303 . 1 1 1 A 27 27 ILE CA C 27 61.915 60.724 1.191 1
1 304 . 1 1 1 A 27 27 ILE CB C 27 40.667 40.008 0.659 1
1 308 . 1 1 1 A 27 27 ILE N N 27 123.352 123.033 0.319 1
1 309 . 1 1 1 A 28 28 ARG H H 28 9.315 9.494 -0.179 1
1 310 . 1 1 1 A 28 28 ARG HA H 28 5.621 5.250 0.371 1
1 317 . 1 1 1 A 28 28 ARG C C 28 175.573 174.831 0.742 1
1 318 . 1 1 1 A 28 28 ARG CA C 28 54.904 54.734 0.170 1
1 319 . 1 1 1 A 28 28 ARG CB C 28 33.782 32.025 1.757 1
1 322 . 1 1 1 A 28 28 ARG N N 28 127.731 129.871 -2.140 1
1 323 . 1 1 1 A 29 29 TYR H H 29 7.656 8.617 -0.961 1
1 324 . 1 1 1 A 29 29 TYR HA H 29 5.831 5.593 0.238 1
1 331 . 1 1 1 A 29 29 TYR C C 29 173.770 174.246 -0.476 1
1 332 . 1 1 1 A 29 29 TYR CA C 29 55.377 55.629 -0.252 1
1 333 . 1 1 1 A 29 29 TYR CB C 29 43.035 41.571 1.464 1
1 338 . 1 1 1 A 29 29 TYR N N 29 117.229 122.621 -5.392 1
1 339 . 1 1 1 A 30 30 GLU H H 30 8.323 8.629 -0.306 1
1 340 . 1 1 1 A 30 30 GLU HA H 30 4.381 4.800 -0.419 1
1 345 . 1 1 1 A 30 30 GLU C C 30 173.976 175.204 -1.228 1
1 346 . 1 1 1 A 30 30 GLU CA C 30 55.235 54.990 0.245 1
1 347 . 1 1 1 A 30 30 GLU CB C 30 34.494 31.977 2.517 1
1 349 . 1 1 1 A 30 30 GLU N N 30 117.003 123.249 -6.246 1
1 350 . 1 1 1 A 31 31 VAL H H 31 8.957 8.609 0.348 1
1 351 . 1 1 1 A 31 31 VAL HA H 31 4.262 4.139 0.123 1
1 359 . 1 1 1 A 31 31 VAL C C 31 175.045 174.986 0.059 1
1 360 . 1 1 1 A 31 31 VAL CA C 31 63.418 62.188 1.230 1
1 361 . 1 1 1 A 31 31 VAL CB C 31 32.211 31.387 0.824 1
1 364 . 1 1 1 A 31 31 VAL N N 31 125.299 125.268 0.031 1
1 365 . 1 1 1 A 32 32 ARG H H 32 8.550 8.406 0.144 1
1 366 . 1 1 1 A 32 32 ARG HA H 32 4.408 4.978 -0.570 1
1 373 . 1 1 1 A 32 32 ARG C C 32 173.222 174.491 -1.269 1
1 374 . 1 1 1 A 32 32 ARG CA C 32 55.048 53.596 1.452 1
1 375 . 1 1 1 A 32 32 ARG CB C 32 34.646 33.543 1.103 1
1 378 . 1 1 1 A 32 32 ARG N N 32 128.345 128.736 -0.391 1
1 379 . 1 1 1 A 33 33 GLN H H 33 8.148 8.641 -0.493 1
1 380 . 1 1 1 A 33 33 GLN HA H 33 4.697 5.284 -0.587 1
1 387 . 1 1 1 A 33 33 GLN C C 33 175.419 175.562 -0.143 1
1 388 . 1 1 1 A 33 33 GLN CA C 33 55.943 54.718 1.225 1
1 389 . 1 1 1 A 33 33 GLN CB C 33 31.679 30.261 1.418 1
1 391 . 1 1 1 A 33 33 GLN N N 33 116.088 123.544 -7.456 1
1 393 . 1 1 1 A 34 34 ASN H H 34 8.323 8.907 -0.584 1
1 394 . 1 1 1 A 34 34 ASN HA H 34 4.825 5.307 -0.482 1
1 399 . 1 1 1 A 34 34 ASN CA C 34 53.468 51.904 1.564 1
1 400 . 1 1 1 A 34 34 ASN CB C 34 41.559 40.095 1.464 1
1 401 . 1 1 1 A 34 34 ASN N N 34 121.088 124.082 -2.994 1
1 403 . 1 1 1 A 35 35 ALA HA H 35 4.099 4.097 0.002 1
1 407 . 1 1 1 A 35 35 ALA C C 35 178.472 179.239 -0.767 1
1 408 . 1 1 1 A 35 35 ALA CA C 35 55.591 54.112 1.479 1
1 409 . 1 1 1 A 35 35 ALA CB C 35 19.600 18.736 0.864 1
1 410 . 1 1 1 A 36 36 GLU H H 36 8.362 7.988 0.374 1
1 411 . 1 1 1 A 36 36 GLU HA H 36 4.263 4.102 0.161 1
1 416 . 1 1 1 A 36 36 GLU C C 36 177.727 178.201 -0.474 1
1 417 . 1 1 1 A 36 36 GLU CA C 36 59.010 58.712 0.298 1
1 418 . 1 1 1 A 36 36 GLU CB C 36 31.059 29.933 1.126 1
1 420 . 1 1 1 A 36 36 GLU N N 36 116.669 119.366 -2.697 1
1 421 . 1 1 1 A 37 37 SER H H 37 8.338 8.030 0.308 1
1 422 . 1 1 1 A 37 37 SER HA H 37 4.515 4.617 -0.102 1
1 425 . 1 1 1 A 37 37 SER C C 37 175.134 174.616 0.518 1
1 426 . 1 1 1 A 37 37 SER CA C 37 59.568 58.491 1.077 1
1 427 . 1 1 1 A 37 37 SER CB C 37 65.114 64.375 0.739 1
1 428 . 1 1 1 A 37 37 SER N N 37 111.971 113.086 -1.115 1
1 429 . 1 1 1 A 38 38 GLY H H 38 8.098 7.885 0.213 1
1 430 . 1 1 1 A 38 38 GLY HA2 H 38 4.294 4.006 0.288 1
1 431 . 1 1 1 A 38 38 GLY HA3 H 38 3.975 4.006 -0.031 1
1 432 . 1 1 1 A 38 38 GLY C C 38 173.759 173.968 -0.209 1
1 433 . 1 1 1 A 38 38 GLY CA C 38 45.904 46.777 -0.873 1
1 434 . 1 1 1 A 38 38 GLY N N 38 111.508 109.849 1.659 1
1 435 . 1 1 1 A 39 39 ALA H H 39 8.450 8.213 0.237 1
1 436 . 1 1 1 A 39 39 ALA HA H 39 4.902 4.619 0.283 1
1 440 . 1 1 1 A 39 39 ALA C C 39 177.193 177.176 0.017 1
1 441 . 1 1 1 A 39 39 ALA CA C 39 52.880 52.059 0.821 1
1 442 . 1 1 1 A 39 39 ALA CB C 39 20.714 19.866 0.848 1
1 443 . 1 1 1 A 39 39 ALA N N 39 124.210 127.274 -3.064 1
1 444 . 1 1 1 A 40 40 TYR H H 40 8.854 8.499 0.355 1
1 445 . 1 1 1 A 40 40 TYR HA H 40 4.796 5.265 -0.469 1
1 452 . 1 1 1 A 40 40 TYR C C 40 171.595 172.185 -0.590 1
1 453 . 1 1 1 A 40 40 TYR CA C 40 56.552 55.898 0.654 1
1 454 . 1 1 1 A 40 40 TYR CB C 40 41.319 40.488 0.831 1
1 459 . 1 1 1 A 40 40 TYR N N 40 118.580 117.223 1.357 1
1 460 . 1 1 1 A 41 41 VAL H H 41 9.275 8.571 0.704 1
1 461 . 1 1 1 A 41 41 VAL HA H 41 4.430 4.236 0.194 1
1 469 . 1 1 1 A 41 41 VAL C C 41 174.098 173.962 0.136 1
1 470 . 1 1 1 A 41 41 VAL CA C 41 61.566 60.915 0.651 1
1 471 . 1 1 1 A 41 41 VAL CB C 41 33.852 33.466 0.386 1
1 474 . 1 1 1 A 41 41 VAL N N 41 118.445 119.499 -1.054 1
1 475 . 1 1 1 A 42 42 HIS H H 42 8.789 8.709 0.080 1
1 476 . 1 1 1 A 42 42 HIS HA H 42 4.814 4.905 -0.091 1
1 480 . 1 1 1 A 42 42 HIS C C 42 172.353 173.324 -0.971 1
1 481 . 1 1 1 A 42 42 HIS CA C 42 56.537 55.455 1.082 1
1 482 . 1 1 1 A 42 42 HIS CB C 42 31.587 31.238 0.349 1
1 484 . 1 1 1 A 42 42 HIS N N 42 125.741 126.255 -0.514 1
1 485 . 1 1 1 A 43 43 PHE H H 43 8.604 8.876 -0.272 1
1 486 . 1 1 1 A 43 43 PHE HA H 43 4.933 5.116 -0.183 1
1 494 . 1 1 1 A 43 43 PHE C C 43 174.119 174.373 -0.254 1
1 495 . 1 1 1 A 43 43 PHE CA C 43 56.591 56.091 0.500 1
1 496 . 1 1 1 A 43 43 PHE CB C 43 41.053 41.352 -0.299 1
1 502 . 1 1 1 A 43 43 PHE N N 43 125.631 126.012 -0.381 1
1 503 . 1 1 1 A 44 44 ASP H H 44 9.322 8.772 0.550 1
1 504 . 1 1 1 A 44 44 ASP HA H 44 5.187 5.641 -0.454 1
1 507 . 1 1 1 A 44 44 ASP C C 44 175.076 174.714 0.362 1
1 508 . 1 1 1 A 44 44 ASP CA C 44 55.145 53.181 1.964 1
1 509 . 1 1 1 A 44 44 ASP CB C 44 45.197 44.300 0.897 1
1 510 . 1 1 1 A 44 44 ASP N N 44 121.184 121.096 0.088 1
1 511 . 1 1 1 A 45 45 MET H H 45 9.110 9.226 -0.116 1
1 512 . 1 1 1 A 45 45 MET HA H 45 5.765 6.069 -0.304 1
1 520 . 1 1 1 A 45 45 MET C C 45 173.254 174.569 -1.315 1
1 521 . 1 1 1 A 45 45 MET CA C 45 54.810 54.374 0.436 1
1 522 . 1 1 1 A 45 45 MET CB C 45 38.632 35.908 2.724 1
1 525 . 1 1 1 A 45 45 MET N N 45 121.976 122.220 -0.244 1
1 526 . 1 1 1 A 46 46 ASP H H 46 8.763 8.693 0.070 1
1 527 . 1 1 1 A 46 46 ASP HA H 46 4.373 4.804 -0.431 1
1 530 . 1 1 1 A 46 46 ASP C C 46 173.396 173.885 -0.489 1
1 531 . 1 1 1 A 46 46 ASP CA C 46 53.810 52.447 1.363 1
1 532 . 1 1 1 A 46 46 ASP CB C 46 44.722 44.122 0.600 1
1 533 . 1 1 1 A 46 46 ASP N N 46 121.797 122.263 -0.466 1
1 534 . 1 1 1 A 47 47 GLY H H 47 7.154 6.946 0.208 1
1 535 . 1 1 1 A 47 47 GLY HA2 H 47 5.075 3.770 1.305 1
1 536 . 1 1 1 A 47 47 GLY HA3 H 47 3.927 3.787 0.140 1
1 537 . 1 1 1 A 47 47 GLY C C 47 172.328 171.676 0.652 1
1 538 . 1 1 1 A 47 47 GLY CA C 47 45.820 45.475 0.345 1
1 539 . 1 1 1 A 47 47 GLY N N 47 105.470 105.555 -0.085 1
1 540 . 1 1 1 A 48 48 GLU H H 48 9.100 8.797 0.303 1
1 541 . 1 1 1 A 48 48 GLU HA H 48 5.257 5.651 -0.394 1
1 546 . 1 1 1 A 48 48 GLU C C 48 175.019 174.480 0.539 1
1 547 . 1 1 1 A 48 48 GLU CA C 48 56.247 54.978 1.269 1
1 548 . 1 1 1 A 48 48 GLU CB C 48 35.076 31.836 3.240 1
1 550 . 1 1 1 A 48 48 GLU N N 48 119.799 117.932 1.867 1
1 551 . 1 1 1 A 49 49 ILE H H 49 7.945 8.480 -0.535 1
1 552 . 1 1 1 A 49 49 ILE HA H 49 4.540 4.877 -0.337 1
1 562 . 1 1 1 A 49 49 ILE C C 49 176.382 176.258 0.124 1
1 563 . 1 1 1 A 49 49 ILE CA C 49 61.321 59.922 1.399 1
1 564 . 1 1 1 A 49 49 ILE CB C 49 41.847 39.047 2.800 1
1 568 . 1 1 1 A 49 49 ILE N N 49 120.718 126.470 -5.752 1
1 569 . 1 1 1 A 50 50 ASP H H 50 10.048 9.418 0.630 1
1 570 . 1 1 1 A 50 50 ASP HA H 50 4.522 4.288 0.234 1
1 573 . 1 1 1 A 50 50 ASP C C 50 176.193 175.366 0.827 1
1 574 . 1 1 1 A 50 50 ASP CA C 50 56.872 55.100 1.772 1
1 575 . 1 1 1 A 50 50 ASP CB C 50 40.754 39.795 0.959 1
1 576 . 1 1 1 A 50 50 ASP N N 50 130.256 127.871 2.385 1
1 577 . 1 1 1 A 51 51 GLY H H 51 9.048 8.507 0.541 1
1 578 . 1 1 1 A 51 51 GLY HA2 H 51 4.126 3.863 0.263 1
1 579 . 1 1 1 A 51 51 GLY HA3 H 51 3.660 3.865 -0.205 1
1 580 . 1 1 1 A 51 51 GLY C C 51 173.935 173.966 -0.031 1
1 581 . 1 1 1 A 51 51 GLY CA C 51 46.194 45.373 0.821 1
1 582 . 1 1 1 A 51 51 GLY N N 51 103.446 104.581 -1.135 1
1 583 . 1 1 1 A 52 52 LYS H H 52 7.905 7.648 0.257 1
1 584 . 1 1 1 A 52 52 LYS HA H 52 5.014 4.483 0.531 1
1 593 . 1 1 1 A 52 52 LYS CA C 52 53.809 52.934 0.875 1
1 594 . 1 1 1 A 52 52 LYS CB C 52 33.788 32.656 1.132 1
1 598 . 1 1 1 A 52 52 LYS N N 52 122.692 121.110 1.582 1
1 599 . 1 1 1 A 53 53 PRO HA H 53 5.523 5.284 0.239 1
1 606 . 1 1 1 A 53 53 PRO C C 53 176.300 176.969 -0.669 1
1 607 . 1 1 1 A 53 53 PRO CA C 53 62.896 62.471 0.425 1
1 608 . 1 1 1 A 53 53 PRO CB C 53 33.920 32.677 1.243 1
1 611 . 1 1 1 A 54 54 PHE H H 54 8.643 8.615 0.028 1
1 612 . 1 1 1 A 54 54 PHE HA H 54 4.907 5.274 -0.367 1
1 620 . 1 1 1 A 54 54 PHE C C 54 172.840 173.109 -0.269 1
1 621 . 1 1 1 A 54 54 PHE CA C 54 57.173 55.787 1.386 1
1 622 . 1 1 1 A 54 54 PHE CB C 54 43.620 42.594 1.026 1
1 628 . 1 1 1 A 54 54 PHE N N 54 117.436 119.878 -2.442 1
1 629 . 1 1 1 A 55 55 SER H H 55 8.009 9.137 -1.128 1
1 630 . 1 1 1 A 55 55 SER HA H 55 4.822 5.245 -0.423 1
1 633 . 1 1 1 A 55 55 SER C C 55 172.856 172.344 0.512 1
1 634 . 1 1 1 A 55 55 SER CA C 55 58.238 56.853 1.385 1
1 635 . 1 1 1 A 55 55 SER CB C 55 66.163 65.510 0.653 1
1 636 . 1 1 1 A 55 55 SER N N 55 113.907 114.481 -0.574 1
1 637 . 1 1 1 A 56 56 ASP H H 56 9.593 9.276 0.317 1
1 638 . 1 1 1 A 56 56 ASP HA H 56 4.985 5.822 -0.837 1
1 641 . 1 1 1 A 56 56 ASP C C 56 175.049 174.404 0.645 1
1 642 . 1 1 1 A 56 56 ASP CA C 56 54.043 53.089 0.954 1
1 643 . 1 1 1 A 56 56 ASP CB C 56 46.425 44.924 1.501 1
1 644 . 1 1 1 A 56 56 ASP N N 56 125.145 125.976 -0.831 1
1 645 . 1 1 1 A 57 57 SER H H 57 10.207 8.741 1.466 1
1 646 . 1 1 1 A 57 57 SER HA H 57 5.383 5.448 -0.065 1
1 649 . 1 1 1 A 57 57 SER C C 57 172.452 173.526 -1.074 1
1 650 . 1 1 1 A 57 57 SER CA C 57 59.008 57.434 1.574 1
1 651 . 1 1 1 A 57 57 SER CB C 57 67.802 65.892 1.910 1
1 652 . 1 1 1 A 57 57 SER N N 57 115.172 119.213 -4.041 1
1 653 . 1 1 1 A 58 58 PHE H H 58 8.623 8.674 -0.051 1
1 654 . 1 1 1 A 58 58 PHE HA H 58 4.904 5.646 -0.742 1
1 662 . 1 1 1 A 58 58 PHE C C 58 172.447 173.207 -0.760 1
1 663 . 1 1 1 A 58 58 PHE CA C 58 57.781 55.370 2.411 1
1 664 . 1 1 1 A 58 58 PHE CB C 58 40.736 42.983 -2.247 1
1 670 . 1 1 1 A 58 58 PHE N N 58 115.065 120.713 -5.648 1
1 671 . 1 1 1 A 59 59 GLU H H 59 8.721 8.989 -0.268 1
1 672 . 1 1 1 A 59 59 GLU HA H 59 5.595 5.516 0.079 1
1 677 . 1 1 1 A 59 59 GLU C C 59 175.836 175.360 0.476 1
1 678 . 1 1 1 A 59 59 GLU CA C 59 55.290 55.258 0.032 1
1 679 . 1 1 1 A 59 59 GLU CB C 59 34.345 33.368 0.977 1
1 681 . 1 1 1 A 59 59 GLU N N 59 118.122 119.365 -1.243 1
1 682 . 1 1 1 A 60 60 LEU H H 60 9.016 9.154 -0.138 1
1 683 . 1 1 1 A 60 60 LEU HA H 60 5.221 5.018 0.203 1
1 693 . 1 1 1 A 60 60 LEU CA C 60 52.275 51.154 1.121 1
1 694 . 1 1 1 A 60 60 LEU CB C 60 46.774 45.859 0.915 1
1 698 . 1 1 1 A 60 60 LEU N N 60 121.299 124.473 -3.174 1
1 699 . 1 1 1 A 61 61 PRO HA H 61 4.614 4.704 -0.090 1
1 706 . 1 1 1 A 61 61 PRO C C 61 176.316 177.873 -1.557 1
1 707 . 1 1 1 A 61 61 PRO CA C 61 62.719 62.628 0.091 1
1 708 . 1 1 1 A 61 61 PRO CB C 61 33.758 32.785 0.973 1
1 711 . 1 1 1 A 62 62 ARG H H 62 8.017 8.520 -0.503 1
1 712 . 1 1 1 A 62 62 ARG HA H 62 3.738 3.989 -0.251 1
1 719 . 1 1 1 A 62 62 ARG C C 62 176.976 178.086 -1.110 1
1 720 . 1 1 1 A 62 62 ARG CA C 62 60.653 59.321 1.332 1
1 721 . 1 1 1 A 62 62 ARG CB C 62 31.549 29.674 1.875 1
1 724 . 1 1 1 A 62 62 ARG N N 62 118.159 122.681 -4.522 1
1 725 . 1 1 1 A 63 63 ASP H H 63 8.665 7.883 0.782 1
1 726 . 1 1 1 A 63 63 ASP HA H 63 4.484 4.533 -0.049 1
1 729 . 1 1 1 A 63 63 ASP C C 63 177.483 176.933 0.550 1
1 730 . 1 1 1 A 63 63 ASP CA C 63 57.335 56.473 0.862 1
1 731 . 1 1 1 A 63 63 ASP CB C 63 41.410 40.971 0.439 1
1 732 . 1 1 1 A 63 63 ASP N N 63 113.726 119.983 -6.257 1
1 733 . 1 1 1 A 64 64 THR H H 64 7.553 7.770 -0.217 1
1 734 . 1 1 1 A 64 64 THR HA H 64 4.562 4.819 -0.257 1
1 739 . 1 1 1 A 64 64 THR C C 64 175.654 175.465 0.189 1
1 740 . 1 1 1 A 64 64 THR CA C 64 61.499 60.987 0.512 1
1 741 . 1 1 1 A 64 64 THR CB C 64 69.606 69.155 0.451 1
1 743 . 1 1 1 A 64 64 THR N N 64 107.855 106.693 1.162 1
1 744 . 1 1 1 A 65 65 ALA H H 65 7.406 7.623 -0.217 1
1 745 . 1 1 1 A 65 65 ALA HA H 65 4.012 4.151 -0.139 1
1 749 . 1 1 1 A 65 65 ALA C C 65 176.820 179.658 -2.838 1
1 750 . 1 1 1 A 65 65 ALA CA C 65 55.939 54.950 0.989 1
1 751 . 1 1 1 A 65 65 ALA CB C 65 19.454 18.032 1.422 1
1 752 . 1 1 1 A 65 65 ALA N N 65 123.777 125.812 -2.035 1
1 753 . 1 1 1 A 66 66 PHE H H 66 7.583 7.759 -0.176 1
1 754 . 1 1 1 A 66 66 PHE HA H 66 4.381 4.945 -0.564 1
1 762 . 1 1 1 A 66 66 PHE C C 66 176.104 177.339 -1.235 1
1 763 . 1 1 1 A 66 66 PHE CA C 66 58.836 60.482 -1.646 1
1 764 . 1 1 1 A 66 66 PHE CB C 66 37.740 38.102 -0.362 1
1 770 . 1 1 1 A 66 66 PHE N N 66 110.346 115.008 -4.662 1
1 771 . 1 1 1 A 67 67 ASN H H 67 7.984 8.163 -0.179 1
1 772 . 1 1 1 A 67 67 ASN HA H 67 4.848 4.877 -0.029 1
1 777 . 1 1 1 A 67 67 ASN C C 67 175.700 176.351 -0.651 1
1 778 . 1 1 1 A 67 67 ASN CA C 67 53.469 53.356 0.113 1
1 779 . 1 1 1 A 67 67 ASN CB C 67 38.836 39.160 -0.324 1
1 780 . 1 1 1 A 67 67 ASN N N 67 120.591 118.744 1.847 1
1 782 . 1 1 1 A 68 68 PHE H H 68 7.218 8.168 -0.950 1
1 783 . 1 1 1 A 68 68 PHE HA H 68 4.054 4.144 -0.090 1
1 790 . 1 1 1 A 68 68 PHE C C 68 174.796 176.899 -2.103 1
1 791 . 1 1 1 A 68 68 PHE CA C 68 60.849 60.920 -0.071 1
1 792 . 1 1 1 A 68 68 PHE CB C 68 40.263 37.521 2.742 1
1 797 . 1 1 1 A 68 68 PHE N N 68 115.915 118.587 -2.672 1
1 798 . 1 1 1 A 69 69 ALA H H 69 7.780 7.073 0.707 1
1 799 . 1 1 1 A 69 69 ALA HA H 69 3.484 3.600 -0.116 1
1 803 . 1 1 1 A 69 69 ALA C C 69 180.022 179.394 0.628 1
1 804 . 1 1 1 A 69 69 ALA CA C 69 56.283 54.628 1.655 1
1 805 . 1 1 1 A 69 69 ALA CB C 69 18.935 17.601 1.334 1
1 806 . 1 1 1 A 69 69 ALA N N 69 124.604 123.074 1.530 1
1 807 . 1 1 1 A 70 70 SER H H 70 7.852 7.356 0.496 1
1 808 . 1 1 1 A 70 70 SER HA H 70 4.061 4.048 0.013 1
1 811 . 1 1 1 A 70 70 SER C C 70 177.054 175.935 1.119 1
1 812 . 1 1 1 A 70 70 SER CA C 70 62.085 61.782 0.303 1
1 813 . 1 1 1 A 70 70 SER CB C 70 62.976 63.091 -0.115 1
1 814 . 1 1 1 A 70 70 SER N N 70 114.973 114.285 0.688 1
1 815 . 1 1 1 A 71 71 ASP H H 71 7.602 7.718 -0.116 1
1 816 . 1 1 1 A 71 71 ASP HA H 71 4.012 4.188 -0.176 1
1 819 . 1 1 1 A 71 71 ASP C C 71 177.086 177.714 -0.628 1
1 820 . 1 1 1 A 71 71 ASP CA C 71 58.501 56.741 1.760 1
1 821 . 1 1 1 A 71 71 ASP CB C 71 42.006 40.722 1.284 1
1 822 . 1 1 1 A 71 71 ASP N N 71 123.211 121.965 1.246 1
1 823 . 1 1 1 A 72 72 ALA H H 72 8.406 8.209 0.197 1
1 824 . 1 1 1 A 72 72 ALA HA H 72 3.671 3.976 -0.305 1
1 828 . 1 1 1 A 72 72 ALA C C 72 179.377 179.896 -0.519 1
1 829 . 1 1 1 A 72 72 ALA CA C 72 55.717 54.906 0.811 1
1 830 . 1 1 1 A 72 72 ALA CB C 72 18.658 18.584 0.074 1
1 831 . 1 1 1 A 72 72 ALA N N 72 119.793 121.522 -1.729 1
1 832 . 1 1 1 A 73 73 THR H H 73 7.631 7.654 -0.023 1
1 833 . 1 1 1 A 73 73 THR HA H 73 3.562 3.948 -0.386 1
1 838 . 1 1 1 A 73 73 THR C C 73 175.072 176.132 -1.060 1
1 839 . 1 1 1 A 73 73 THR CA C 73 68.525 66.362 2.163 1
1 840 . 1 1 1 A 73 73 THR CB C 73 69.564 68.382 1.182 1
1 842 . 1 1 1 A 73 73 THR N N 73 114.702 113.556 1.146 1
1 843 . 1 1 1 A 74 74 ARG H H 74 7.629 7.801 -0.172 1
1 844 . 1 1 1 A 74 74 ARG HA H 74 3.795 3.962 -0.167 1
1 851 . 1 1 1 A 74 74 ARG C C 74 176.832 178.282 -1.450 1
1 852 . 1 1 1 A 74 74 ARG CA C 74 60.580 58.818 1.762 1
1 853 . 1 1 1 A 74 74 ARG CB C 74 30.409 29.454 0.955 1
1 856 . 1 1 1 A 74 74 ARG N N 74 122.528 120.777 1.751 1
1 857 . 1 1 1 A 75 75 VAL H H 75 8.008 8.005 0.003 1
1 858 . 1 1 1 A 75 75 VAL HA H 75 3.439 3.660 -0.221 1
1 866 . 1 1 1 A 75 75 VAL C C 75 177.802 177.277 0.525 1
1 867 . 1 1 1 A 75 75 VAL CA C 75 67.492 64.480 3.012 1
1 868 . 1 1 1 A 75 75 VAL CB C 75 32.220 31.321 0.899 1
1 871 . 1 1 1 A 75 75 VAL N N 75 120.044 119.029 1.015 1
1 872 . 1 1 1 A 76 76 ALA H H 76 8.092 8.118 -0.026 1
1 873 . 1 1 1 A 76 76 ALA HA H 76 3.537 4.004 -0.467 1
1 877 . 1 1 1 A 76 76 ALA C C 76 180.078 179.924 0.154 1
1 878 . 1 1 1 A 76 76 ALA CA C 76 56.194 55.430 0.764 1
1 879 . 1 1 1 A 76 76 ALA CB C 76 18.882 17.896 0.986 1
1 880 . 1 1 1 A 76 76 ALA N N 76 120.726 123.689 -2.963 1
1 881 . 1 1 1 A 77 77 GLN H H 77 8.432 8.104 0.328 1
1 882 . 1 1 1 A 77 77 GLN HA H 77 4.428 4.022 0.406 1
1 885 . 1 1 1 A 77 77 GLN CA C 77 58.987 58.372 0.615 1
1 887 . 1 1 1 A 77 77 GLN N N 77 118.235 115.786 2.449 1
1 888 . 1 1 1 A 78 78 LYS H H 78 7.655 7.594 0.061 1
1 889 . 1 1 1 A 78 78 LYS HA H 78 3.874 3.969 -0.095 1
1 898 . 1 1 1 A 78 78 LYS C C 78 177.044 177.997 -0.953 1
1 899 . 1 1 1 A 78 78 LYS CA C 78 59.393 58.743 0.650 1
1 900 . 1 1 1 A 78 78 LYS CB C 78 32.583 31.762 0.821 1
1 904 . 1 1 1 A 78 78 LYS N N 78 121.797 120.729 1.068 1
1 905 . 1 1 1 A 79 79 HIS H H 79 6.888 7.015 -0.127 1
1 906 . 1 1 1 A 79 79 HIS HA H 79 4.501 4.386 0.115 1
1 909 . 1 1 1 A 79 79 HIS C C 79 174.191 175.136 -0.945 1
1 910 . 1 1 1 A 79 79 HIS CA C 79 56.166 55.764 0.402 1
1 911 . 1 1 1 A 79 79 HIS CB C 79 30.993 29.647 1.346 1
1 912 . 1 1 1 A 79 79 HIS N N 79 115.368 114.963 0.405 1
1 913 . 1 1 1 A 80 80 GLY H H 80 7.159 7.675 -0.516 1
1 914 . 1 1 1 A 80 80 GLY HA2 H 80 4.433 3.860 0.573 1
1 915 . 1 1 1 A 80 80 GLY HA3 H 80 3.541 3.877 -0.336 1
1 916 . 1 1 1 A 80 80 GLY C C 80 175.246 174.010 1.236 1
1 917 . 1 1 1 A 80 80 GLY CA C 80 45.823 45.208 0.615 1
1 918 . 1 1 1 A 80 80 GLY N N 80 104.319 106.192 -1.873 1
1 919 . 1 1 1 A 81 81 LEU H H 81 7.962 7.387 0.575 1
1 920 . 1 1 1 A 81 81 LEU HA H 81 4.012 4.433 -0.421 1
1 930 . 1 1 1 A 81 81 LEU CA C 81 56.383 52.993 3.390 1
1 931 . 1 1 1 A 81 81 LEU CB C 81 43.506 44.199 -0.693 1
1 935 . 1 1 1 A 81 81 LEU N N 81 124.945 120.587 4.358 1
1 936 . 1 1 1 A 83 83 PRO HA H 83 4.248 4.323 -0.075 1
1 943 . 1 1 1 A 83 83 PRO CA C 83 65.606 65.033 0.573 1
1 944 . 1 1 1 A 83 83 PRO CB C 83 32.805 31.880 0.925 1
1 947 . 1 1 1 A 84 84 LYS HA H 84 4.132 4.099 0.033 1
1 956 . 1 1 1 A 84 84 LYS CA C 84 59.351 59.047 0.304 1
1 957 . 1 1 1 A 84 84 LYS CB C 84 33.109 31.884 1.225 1
1 961 . 1 1 1 A 85 85 PHE HA H 85 3.941 4.269 -0.328 1
1 964 . 1 1 1 A 85 85 PHE CA C 85 59.693 61.343 -1.650 1
1 965 . 1 1 1 A 85 85 PHE CB C 85 39.968 39.459 0.509 1
1 966 . 1 1 1 A 86 86 GLY HA2 H 86 3.721 3.872 -0.151 1
1 967 . 1 1 1 A 86 86 GLY HA3 H 86 3.659 3.979 -0.320 1
1 968 . 1 1 1 A 86 86 GLY CA C 86 44.471 46.244 -1.773 1
1 969 . 1 1 1 A 87 87 ALA HA H 87 4.274 4.192 0.082 1
1 973 . 1 1 1 A 87 87 ALA CA C 87 53.390 55.290 -1.900 1
1 974 . 1 1 1 A 87 87 ALA CB C 87 20.262 19.046 1.216 1
1 975 . 1 1 1 A 88 88 ILE HA H 88 4.015 4.159 -0.144 1
1 985 . 1 1 1 A 88 88 ILE CA C 88 63.697 62.589 1.108 1
1 986 . 1 1 1 A 88 88 ILE CB C 88 38.931 39.401 -0.470 1
1 990 . 1 1 1 A 89 89 THR HA H 89 4.224 4.250 -0.026 1
1 994 . 1 1 1 A 89 89 THR CA C 89 63.088 62.326 0.762 1
1 996 . 1 1 1 A 90 90 ARG HA H 90 4.105 4.631 -0.526 1
1 1003 . 1 1 1 A 90 90 ARG CA C 90 58.412 54.794 3.618 1
1 1004 . 1 1 1 A 90 90 ARG CB C 90 30.907 32.167 -1.260 1
1 1007 . 1 1 1 A 91 91 VAL HA H 91 4.047 4.156 -0.109 1
1 1015 . 1 1 1 A 91 91 VAL C C 91 175.627 175.722 -0.095 1
1 1016 . 1 1 1 A 91 91 VAL CA C 91 62.923 61.861 1.062 1
1 1017 . 1 1 1 A 91 91 VAL CB C 91 32.060 31.200 0.860 1
1 1020 . 1 1 1 A 92 92 HIS HA H 92 4.567 4.461 0.106 1
1 1023 . 1 1 1 A 92 92 HIS CA C 92 57.021 56.542 0.479 1
1 1024 . 1 1 1 A 92 92 HIS CB C 92 31.579 29.632 1.947 1
1 1025 . 1 1 1 A 93 93 LYS H H 93 8.490 8.813 -0.323 1
1 1026 . 1 1 1 A 93 93 LYS HA H 93 4.149 4.068 0.081 1
1 1035 . 1 1 1 A 93 93 LYS CA C 93 58.472 58.732 -0.260 1
1 1036 . 1 1 1 A 93 93 LYS CB C 93 32.632 32.330 0.302 1
1 1040 . 1 1 1 A 93 93 LYS N N 93 123.001 125.107 -2.106 1
1 1041 . 1 1 1 A 94 94 GLU HA H 94 4.265 4.391 -0.126 1
1 1046 . 1 1 1 A 94 94 GLU CA C 94 57.682 57.240 0.442 1
1 1047 . 1 1 1 A 94 94 GLU CB C 94 30.952 30.038 0.914 1
1 1049 . 1 1 1 A 95 95 TYR HA H 95 4.205 4.180 0.025 1
1 1056 . 1 1 1 A 95 95 TYR C C 95 176.555 177.682 -1.127 1
1 1057 . 1 1 1 A 95 95 TYR CA C 95 60.582 61.298 -0.716 1
1 1058 . 1 1 1 A 95 95 TYR CB C 95 39.000 38.643 0.357 1
1 1063 . 1 1 1 A 96 96 ASP H H 96 8.104 8.245 -0.141 1
1 1064 . 1 1 1 A 96 96 ASP HA H 96 4.252 4.117 0.135 1
1 1067 . 1 1 1 A 96 96 ASP CA C 96 58.583 57.212 1.371 1
1 1068 . 1 1 1 A 96 96 ASP CB C 96 41.058 39.948 1.110 1
1 1069 . 1 1 1 A 96 96 ASP N N 96 120.068 119.366 0.702 1
1 1070 . 1 1 1 A 97 97 ALA HA H 97 3.964 4.119 -0.155 1
1 1074 . 1 1 1 A 97 97 ALA C C 97 179.912 179.409 0.503 1
1 1075 . 1 1 1 A 97 97 ALA CA C 97 55.582 55.234 0.348 1
1 1076 . 1 1 1 A 97 97 ALA CB C 97 18.849 18.114 0.735 1
1 1077 . 1 1 1 A 98 98 MET H H 98 7.422 7.723 -0.301 1
1 1078 . 1 1 1 A 98 98 MET HA H 98 3.847 4.015 -0.168 1
1 1083 . 1 1 1 A 98 98 MET C C 98 177.185 178.122 -0.937 1
1 1084 . 1 1 1 A 98 98 MET CA C 98 59.943 58.207 1.736 1
1 1085 . 1 1 1 A 98 98 MET CB C 98 32.583 31.621 0.962 1
1 1087 . 1 1 1 A 98 98 MET N N 98 120.651 118.751 1.900 1
1 1088 . 1 1 1 A 99 99 PHE H H 99 8.652 8.563 0.089 1
1 1089 . 1 1 1 A 99 99 PHE HA H 99 4.150 4.013 0.137 1
1 1097 . 1 1 1 A 99 99 PHE C C 99 177.911 177.718 0.193 1
1 1098 . 1 1 1 A 99 99 PHE CA C 99 61.936 61.523 0.413 1
1 1099 . 1 1 1 A 99 99 PHE CB C 99 39.302 38.804 0.498 1
1 1105 . 1 1 1 A 99 99 PHE N N 99 119.857 120.386 -0.529 1
1 1106 . 1 1 1 A 100 100 GLU H H 100 8.232 8.557 -0.325 1
1 1107 . 1 1 1 A 100 100 GLU HA H 100 4.094 4.060 0.034 1
1 1112 . 1 1 1 A 100 100 GLU CA C 100 59.579 59.584 -0.005 1
1 1113 . 1 1 1 A 100 100 GLU CB C 100 29.878 29.095 0.783 1
1 1115 . 1 1 1 A 100 100 GLU N N 100 117.666 117.936 -0.270 1
1 1116 . 1 1 1 A 101 101 ASP HA H 101 4.568 4.405 0.163 1
1 1119 . 1 1 1 A 101 101 ASP C C 101 177.667 178.748 -1.081 1
1 1120 . 1 1 1 A 101 101 ASP CA C 101 58.940 57.935 1.005 1
1 1121 . 1 1 1 A 101 101 ASP CB C 101 43.462 41.859 1.603 1
1 1122 . 1 1 1 A 102 102 ILE H H 102 8.370 7.965 0.405 1
1 1123 . 1 1 1 A 102 102 ILE HA H 102 3.319 3.655 -0.336 1
1 1133 . 1 1 1 A 102 102 ILE C C 102 177.347 178.465 -1.118 1
1 1134 . 1 1 1 A 102 102 ILE CA C 102 67.567 65.254 2.313 1
1 1135 . 1 1 1 A 102 102 ILE CB C 102 38.766 37.107 1.659 1
1 1139 . 1 1 1 A 102 102 ILE N N 102 118.449 119.285 -0.836 1
1 1140 . 1 1 1 A 103 103 ARG H H 103 8.450 8.445 0.005 1
1 1141 . 1 1 1 A 103 103 ARG HA H 103 3.834 4.302 -0.468 1
1 1148 . 1 1 1 A 103 103 ARG C C 103 178.760 178.356 0.404 1
1 1149 . 1 1 1 A 103 103 ARG CA C 103 61.318 58.766 2.552 1
1 1150 . 1 1 1 A 103 103 ARG CB C 103 30.978 29.652 1.326 1
1 1153 . 1 1 1 A 103 103 ARG N N 103 118.941 120.785 -1.844 1
1 1154 . 1 1 1 A 104 104 ALA H H 104 8.289 7.766 0.523 1
1 1155 . 1 1 1 A 104 104 ALA HA H 104 4.072 4.133 -0.061 1
1 1159 . 1 1 1 A 104 104 ALA C C 104 181.340 179.521 1.819 1
1 1160 . 1 1 1 A 104 104 ALA CA C 104 56.021 55.248 0.773 1
1 1161 . 1 1 1 A 104 104 ALA CB C 104 18.962 18.232 0.730 1
1 1162 . 1 1 1 A 104 104 ALA N N 104 121.028 122.045 -1.017 1
1 1163 . 1 1 1 A 105 105 LYS H H 105 8.231 8.057 0.174 1
1 1164 . 1 1 1 A 105 105 LYS HA H 105 4.013 3.945 0.068 1
1 1173 . 1 1 1 A 105 105 LYS C C 105 179.414 178.973 0.441 1
1 1174 . 1 1 1 A 105 105 LYS CA C 105 60.025 59.694 0.331 1
1 1175 . 1 1 1 A 105 105 LYS CB C 105 34.341 31.915 2.426 1
1 1179 . 1 1 1 A 105 105 LYS N N 105 118.789 118.694 0.095 1
1 1180 . 1 1 1 A 106 106 LEU H H 106 8.289 8.409 -0.120 1
1 1181 . 1 1 1 A 106 106 LEU HA H 106 4.043 3.956 0.087 1
1 1191 . 1 1 1 A 106 106 LEU C C 106 178.091 178.825 -0.734 1
1 1192 . 1 1 1 A 106 106 LEU CA C 106 57.469 57.797 -0.328 1
1 1193 . 1 1 1 A 106 106 LEU CB C 106 43.248 41.296 1.952 1
1 1197 . 1 1 1 A 106 106 LEU N N 106 119.086 119.560 -0.474 1
1 1198 . 1 1 1 A 107 107 HIS H H 107 7.861 7.606 0.255 1
1 1199 . 1 1 1 A 107 107 HIS HA H 107 4.428 4.400 0.028 1
1 1203 . 1 1 1 A 107 107 HIS C C 107 175.263 175.207 0.056 1
1 1204 . 1 1 1 A 107 107 HIS CA C 107 58.218 58.550 -0.332 1
1 1205 . 1 1 1 A 107 107 HIS CB C 107 30.819 30.511 0.308 1
1 1207 . 1 1 1 A 107 107 HIS N N 107 118.172 118.232 -0.060 1
1 1208 . 1 1 1 A 108 108 ALA H H 108 7.505 7.785 -0.280 1
1 1209 . 1 1 1 A 108 108 ALA HA H 108 4.218 3.830 0.388 1
1 1213 . 1 1 1 A 108 108 ALA C C 108 179.374 176.437 2.937 1
1 1214 . 1 1 1 A 108 108 ALA CA C 108 53.303 54.972 -1.669 1
1 1215 . 1 1 1 A 108 108 ALA CB C 108 20.005 17.185 2.820 1
1 1216 . 1 1 1 A 108 108 ALA N N 108 121.363 120.689 0.674 1
1 1217 . 1 1 1 A 109 109 HIS H H 109 7.987 8.112 -0.125 1
1 1218 . 1 1 1 A 109 109 HIS HA H 109 4.770 4.824 -0.054 1
1 1221 . 1 1 1 A 109 109 HIS CA C 109 55.217 54.042 1.175 1
1 1222 . 1 1 1 A 109 109 HIS CB C 109 31.250 30.462 0.788 1
1 1223 . 1 1 1 A 109 109 HIS N N 109 120.133 116.158 3.975 1
1 1224 . 1 1 1 A 110 110 PRO HA H 110 4.368 4.549 -0.181 1
1 1231 . 1 1 1 A 110 110 PRO C C 110 177.350 176.419 0.931 1
1 1232 . 1 1 1 A 110 110 PRO CA C 110 64.430 63.125 1.305 1
1 1233 . 1 1 1 A 110 110 PRO CB C 110 32.912 33.334 -0.422 1
1 1236 . 1 1 1 A 111 111 GLY H H 111 8.492 8.283 0.209 1
1 1237 . 1 1 1 A 111 111 GLY HA2 H 111 3.925 4.098 -0.173 1
1 1238 . 1 1 1 A 111 111 GLY HA3 H 111 3.925 4.131 -0.206 1
1 1239 . 1 1 1 A 111 111 GLY C C 111 173.681 172.718 0.963 1
1 1240 . 1 1 1 A 111 111 GLY CA C 111 45.831 45.838 -0.007 1
1 1241 . 1 1 1 A 111 111 GLY N N 111 109.622 107.941 1.681 1
1 1242 . 1 1 1 A 112 112 GLU H H 112 8.139 8.185 -0.046 1
1 1243 . 1 1 1 A 112 112 GLU HA H 112 4.573 4.816 -0.243 1
1 1248 . 1 1 1 A 112 112 GLU CA C 112 55.099 54.660 0.439 1
1 1249 . 1 1 1 A 112 112 GLU CB C 112 30.664 30.303 0.361 1
1 1251 . 1 1 1 A 112 112 GLU N N 112 121.771 118.457 3.314 1
1 1252 . 1 1 1 A 113 113 PRO HA H 113 4.411 4.456 -0.045 1
1 1259 . 1 1 1 A 113 113 PRO C C 113 176.943 176.522 0.421 1
1 1260 . 1 1 1 A 113 113 PRO CA C 113 63.990 63.272 0.718 1
1 1261 . 1 1 1 A 113 113 PRO CB C 113 32.817 31.624 1.193 1
1 1264 . 1 1 1 A 114 114 VAL H H 114 8.226 8.434 -0.208 1
1 1265 . 1 1 1 A 114 114 VAL HA H 114 4.036 4.176 -0.140 1
1 1273 . 1 1 1 A 114 114 VAL C C 114 175.708 177.406 -1.698 1
1 1274 . 1 1 1 A 114 114 VAL CA C 114 63.021 62.127 0.894 1
1 1275 . 1 1 1 A 114 114 VAL CB C 114 33.996 32.496 1.500 1
1 1278 . 1 1 1 A 114 114 VAL N N 114 120.138 122.479 -2.341 1
1 1279 . 1 1 1 A 115 115 ASP H H 115 8.313 9.047 -0.734 1
1 1280 . 1 1 1 A 115 115 ASP HA H 115 4.587 4.589 -0.002 1
1 1283 . 1 1 1 A 115 115 ASP C C 115 176.361 177.894 -1.533 1
1 1284 . 1 1 1 A 115 115 ASP CA C 115 54.760 55.804 -1.044 1
1 1285 . 1 1 1 A 115 115 ASP CB C 115 41.888 40.445 1.443 1
1 1286 . 1 1 1 A 115 115 ASP N N 115 123.840 129.472 -5.632 1
1 1287 . 1 1 1 A 116 116 LEU H H 116 8.202 7.877 0.325 1
1 1288 . 1 1 1 A 116 116 LEU HA H 116 4.168 3.915 0.253 1
1 1298 . 1 1 1 A 116 116 LEU C C 116 177.811 178.810 -0.999 1
1 1299 . 1 1 1 A 116 116 LEU CA C 116 56.696 58.033 -1.337 1
1 1300 . 1 1 1 A 116 116 LEU CB C 116 43.084 41.174 1.910 1
1 1304 . 1 1 1 A 116 116 LEU N N 116 123.362 118.105 5.257 1
1 1305 . 1 1 1 A 117 117 GLU H H 117 8.311 8.337 -0.026 1
1 1306 . 1 1 1 A 117 117 GLU HA H 117 4.141 3.961 0.180 1
1 1311 . 1 1 1 A 117 117 GLU C C 117 176.687 178.892 -2.205 1
1 1312 . 1 1 1 A 117 117 GLU CA C 117 57.937 59.171 -1.234 1
1 1313 . 1 1 1 A 117 117 GLU CB C 117 30.685 29.218 1.467 1
1 1315 . 1 1 1 A 117 117 GLU N N 117 119.881 119.078 0.803 1
1 1316 . 1 1 1 A 118 118 ARG H H 118 7.930 8.013 -0.083 1
1 1317 . 1 1 1 A 118 118 ARG HA H 118 4.223 4.066 0.157 1
1 1324 . 1 1 1 A 118 118 ARG C C 118 176.125 178.406 -2.281 1
1 1325 . 1 1 1 A 118 118 ARG CA C 118 57.133 58.800 -1.667 1
1 1326 . 1 1 1 A 118 118 ARG CB C 118 31.445 29.859 1.586 1
1 1329 . 1 1 1 A 118 118 ARG N N 118 120.580 120.139 0.441 1
1 1330 . 1 1 1 A 119 119 ILE H H 119 7.926 7.438 0.488 1
1 1331 . 1 1 1 A 119 119 ILE HA H 119 4.041 3.867 0.174 1
1 1341 . 1 1 1 A 119 119 ILE C C 119 176.166 178.230 -2.064 1
1 1342 . 1 1 1 A 119 119 ILE CA C 119 62.131 64.530 -2.399 1
1 1343 . 1 1 1 A 119 119 ILE CB C 119 39.327 37.056 2.271 1
1 1347 . 1 1 1 A 119 119 ILE N N 119 121.721 119.233 2.488 1
1 1348 . 1 1 1 A 120 120 ILE H H 120 8.152 7.570 0.582 1
1 1349 . 1 1 1 A 120 120 ILE HA H 120 4.038 3.699 0.339 1
1 1359 . 1 1 1 A 120 120 ILE C C 120 175.922 176.227 -0.305 1
1 1360 . 1 1 1 A 120 120 ILE CA C 120 61.812 63.202 -1.390 1
1 1361 . 1 1 1 A 120 120 ILE CB C 120 39.091 37.734 1.357 1
1 1365 . 1 1 1 A 120 120 ILE N N 120 125.274 119.675 5.599 1
1 1366 . 1 1 1 A 121 121 ARG H H 121 8.266 7.472 0.794 1
1 1367 . 1 1 1 A 121 121 ARG HA H 121 4.293 4.246 0.047 1
1 1374 . 1 1 1 A 121 121 ARG CA C 121 56.489 55.661 0.828 1
1 1375 . 1 1 1 A 121 121 ARG CB C 121 31.785 29.567 2.218 1
1 1378 . 1 1 1 A 121 121 ARG N N 121 125.412 119.696 5.716 1
1 1379 . 1 1 1 A 122 122 HIS HA H 122 5.066 5.160 -0.094 1
1 1383 . 1 1 1 A 122 122 HIS C C 122 175.210 172.521 2.689 1
1 1384 . 1 1 1 A 122 122 HIS CA C 122 56.554 54.305 2.249 1
1 1385 . 1 1 1 A 122 122 HIS CB C 122 32.905 31.955 0.950 1
1 1387 . 1 1 1 A 123 123 GLU H H 123 8.936 8.670 0.266 1
1 1388 . 1 1 1 A 123 123 GLU N N 123 121.008 120.528 0.480 1
1 1389 . 1 1 1 A 124 124 GLY HA2 H 124 3.984 4.081 -0.097 1
1 1390 . 1 1 1 A 124 124 GLY HA3 H 124 3.913 4.106 -0.193 1
1 1391 . 1 1 1 A 124 124 GLY C C 124 173.408 173.023 0.385 1
1 1392 . 1 1 1 A 124 124 GLY CA C 124 46.124 46.147 -0.023 1
1 10 . 2 1 1 A 2 2 GLY H H 2 8.402 8.448 -0.046 1
1 11 . 2 1 1 A 2 2 GLY HA2 H 2 3.903 4.088 -0.185 1
1 12 . 2 1 1 A 2 2 GLY HA3 H 2 3.903 4.091 -0.188 1
1 13 . 2 1 1 A 2 2 GLY C C 2 172.919 174.283 -1.364 1
1 14 . 2 1 1 A 2 2 GLY CA C 2 45.814 44.374 1.440 1
1 15 . 2 1 1 A 2 2 GLY N N 2 110.769 108.783 1.986 1
1 16 . 2 1 1 A 3 3 HIS H H 3 8.198 8.063 0.135 1
1 17 . 2 1 1 A 3 3 HIS N N 3 120.514 116.925 3.589 1
1 18 . 2 1 1 A 4 4 MET HA H 4 4.688 4.541 0.147 1
1 26 . 2 1 1 A 4 4 MET CA C 4 56.462 55.242 1.220 1
1 27 . 2 1 1 A 4 4 MET CB C 4 35.293 32.772 2.521 1
1 30 . 2 1 1 A 5 5 PHE H H 5 8.690 9.023 -0.333 1
1 31 . 2 1 1 A 5 5 PHE HA H 5 5.254 5.401 -0.147 1
1 39 . 2 1 1 A 5 5 PHE C C 5 173.490 173.618 -0.128 1
1 40 . 2 1 1 A 5 5 PHE CA C 5 58.548 56.624 1.924 1
1 41 . 2 1 1 A 5 5 PHE CB C 5 43.312 42.733 0.579 1
1 47 . 2 1 1 A 5 5 PHE N N 5 123.462 128.601 -5.139 1
1 48 . 2 1 1 A 6 6 GLU H H 6 7.963 8.541 -0.578 1
1 49 . 2 1 1 A 6 6 GLU HA H 6 4.182 4.569 -0.387 1
1 54 . 2 1 1 A 6 6 GLU CA C 6 53.572 53.944 -0.372 1
1 55 . 2 1 1 A 6 6 GLU CB C 6 31.259 32.990 -1.731 1
1 57 . 2 1 1 A 6 6 GLU N N 6 127.826 124.311 3.515 1
1 58 . 2 1 1 A 7 7 PRO HA H 7 3.783 4.635 -0.852 1
1 65 . 2 1 1 A 7 7 PRO C C 7 177.433 177.342 0.091 1
1 66 . 2 1 1 A 7 7 PRO CA C 7 66.503 63.439 3.064 1
1 67 . 2 1 1 A 7 7 PRO CB C 7 31.785 30.952 0.833 1
1 70 . 2 1 1 A 8 8 GLY H H 8 7.537 8.366 -0.829 1
1 71 . 2 1 1 A 8 8 GLY HA2 H 8 3.896 3.500 0.396 1
1 72 . 2 1 1 A 8 8 GLY HA3 H 8 2.085 3.822 -1.737 1
1 73 . 2 1 1 A 8 8 GLY C C 8 174.730 173.121 1.609 1
1 74 . 2 1 1 A 8 8 GLY CA C 8 46.895 45.149 1.746 1
1 75 . 2 1 1 A 8 8 GLY N N 8 111.178 112.900 -1.722 1
1 76 . 2 1 1 A 9 9 HIS H H 9 9.112 7.700 1.412 1
1 77 . 2 1 1 A 9 9 HIS HA H 9 5.699 5.058 0.641 1
1 81 . 2 1 1 A 9 9 HIS C C 9 170.886 172.771 -1.885 1
1 82 . 2 1 1 A 9 9 HIS CA C 9 55.252 56.050 -0.798 1
1 83 . 2 1 1 A 9 9 HIS CB C 9 32.029 33.092 -1.063 1
1 85 . 2 1 1 A 9 9 HIS N N 9 122.719 118.888 3.831 1
1 86 . 2 1 1 A 10 10 LEU H H 10 9.637 8.722 0.915 1
1 87 . 2 1 1 A 10 10 LEU HA H 10 5.198 5.233 -0.035 1
1 97 . 2 1 1 A 10 10 LEU C C 10 173.565 173.722 -0.157 1
1 98 . 2 1 1 A 10 10 LEU CA C 10 54.377 53.127 1.250 1
1 99 . 2 1 1 A 10 10 LEU CB C 10 46.916 46.483 0.433 1
1 103 . 2 1 1 A 10 10 LEU N N 10 130.516 127.728 2.788 1
1 104 . 2 1 1 A 11 11 HIS H H 11 9.237 9.118 0.119 1
1 105 . 2 1 1 A 11 11 HIS HA H 11 5.478 5.204 0.274 1
1 109 . 2 1 1 A 11 11 HIS C C 11 173.559 173.754 -0.195 1
1 110 . 2 1 1 A 11 11 HIS CA C 11 53.302 54.193 -0.891 1
1 111 . 2 1 1 A 11 11 HIS CB C 11 34.638 31.890 2.748 1
1 113 . 2 1 1 A 11 11 HIS N N 11 128.715 126.269 2.446 1
1 114 . 2 1 1 A 12 12 LEU H H 12 9.370 9.180 0.190 1
1 115 . 2 1 1 A 12 12 LEU HA H 12 4.863 4.940 -0.077 1
1 125 . 2 1 1 A 12 12 LEU CA C 12 54.243 53.891 0.352 1
1 126 . 2 1 1 A 12 12 LEU CB C 12 45.047 43.801 1.246 1
1 130 . 2 1 1 A 12 12 LEU N N 12 127.423 129.629 -2.206 1
1 131 . 2 1 1 A 13 13 VAL HA H 13 4.847 4.720 0.127 1
1 139 . 2 1 1 A 13 13 VAL CA C 13 60.665 60.837 -0.172 1
1 140 . 2 1 1 A 13 13 VAL CB C 13 35.978 36.003 -0.025 1
1 143 . 2 1 1 A 14 14 SER H H 14 8.220 8.904 -0.684 1
1 144 . 2 1 1 A 14 14 SER HA H 14 4.563 4.650 -0.087 1
1 147 . 2 1 1 A 14 14 SER CA C 14 58.588 57.798 0.790 1
1 148 . 2 1 1 A 14 14 SER CB C 14 65.442 64.089 1.353 1
1 149 . 2 1 1 A 14 14 SER N N 14 118.092 121.848 -3.756 1
1 150 . 2 1 1 A 15 15 LEU H H 15 8.965 8.505 0.460 1
1 151 . 2 1 1 A 15 15 LEU HA H 15 4.725 4.519 0.206 1
1 161 . 2 1 1 A 15 15 LEU CA C 15 53.203 53.008 0.195 1
1 162 . 2 1 1 A 15 15 LEU CB C 15 42.658 41.450 1.208 1
1 166 . 2 1 1 A 15 15 LEU N N 15 124.969 125.433 -0.464 1
1 167 . 2 1 1 A 16 16 PRO HA H 16 4.326 4.446 -0.120 1
1 174 . 2 1 1 A 16 16 PRO C C 16 177.551 178.163 -0.612 1
1 175 . 2 1 1 A 16 16 PRO CA C 16 64.262 64.563 -0.301 1
1 176 . 2 1 1 A 16 16 PRO CB C 16 32.855 31.984 0.871 1
1 179 . 2 1 1 A 17 17 GLY H H 17 8.597 8.540 0.057 1
1 180 . 2 1 1 A 17 17 GLY HA2 H 17 4.091 3.915 0.176 1
1 181 . 2 1 1 A 17 17 GLY HA3 H 17 3.773 3.959 -0.186 1
1 182 . 2 1 1 A 17 17 GLY C C 17 173.908 175.044 -1.136 1
1 183 . 2 1 1 A 17 17 GLY CA C 17 46.155 47.289 -1.134 1
1 184 . 2 1 1 A 17 17 GLY N N 17 110.651 110.521 0.130 1
1 185 . 2 1 1 A 18 18 LEU H H 18 7.998 8.599 -0.601 1
1 186 . 2 1 1 A 18 18 LEU HA H 18 4.318 4.394 -0.076 1
1 192 . 2 1 1 A 18 18 LEU CA C 18 56.800 54.353 2.447 1
1 193 . 2 1 1 A 18 18 LEU CB C 18 43.502 41.943 1.559 1
1 195 . 2 1 1 A 18 18 LEU N N 18 122.006 126.960 -4.954 1
1 196 . 2 1 1 A 19 19 ASP HA H 19 4.330 4.237 0.093 1
1 199 . 2 1 1 A 19 19 ASP CA C 19 56.800 54.798 2.002 1
1 200 . 2 1 1 A 19 19 ASP CB C 19 43.498 39.086 4.412 1
1 201 . 2 1 1 A 20 20 GLN HA H 20 4.248 4.396 -0.148 1
1 208 . 2 1 1 A 20 20 GLN CA C 20 56.991 56.144 0.847 1
1 209 . 2 1 1 A 20 20 GLN CB C 20 31.005 30.733 0.272 1
1 212 . 2 1 1 A 21 21 GLN H H 21 7.823 7.553 0.270 1
1 213 . 2 1 1 A 21 21 GLN HA H 21 4.478 5.118 -0.640 1
1 220 . 2 1 1 A 21 21 GLN C C 21 174.199 173.481 0.718 1
1 221 . 2 1 1 A 21 21 GLN CA C 21 56.424 53.935 2.489 1
1 222 . 2 1 1 A 21 21 GLN CB C 21 33.930 31.992 1.938 1
1 224 . 2 1 1 A 21 21 GLN N N 21 118.190 115.700 2.490 1
1 226 . 2 1 1 A 22 22 ASP H H 22 8.549 8.812 -0.263 1
1 227 . 2 1 1 A 22 22 ASP HA H 22 4.708 5.308 -0.600 1
1 230 . 2 1 1 A 22 22 ASP C C 22 175.399 174.714 0.685 1
1 231 . 2 1 1 A 22 22 ASP CA C 22 54.415 53.056 1.359 1
1 232 . 2 1 1 A 22 22 ASP CB C 22 42.744 42.702 0.042 1
1 233 . 2 1 1 A 22 22 ASP N N 22 122.563 121.833 0.730 1
1 234 . 2 1 1 A 23 23 ILE H H 23 8.681 8.866 -0.185 1
1 235 . 2 1 1 A 23 23 ILE HA H 23 4.726 5.094 -0.368 1
1 245 . 2 1 1 A 23 23 ILE C C 23 174.896 174.973 -0.077 1
1 246 . 2 1 1 A 23 23 ILE CA C 23 60.384 59.112 1.272 1
1 247 . 2 1 1 A 23 23 ILE CB C 23 42.843 41.201 1.642 1
1 251 . 2 1 1 A 23 23 ILE N N 23 121.642 121.726 -0.084 1
1 252 . 2 1 1 A 24 24 ASN H H 24 8.224 8.840 -0.616 1
1 253 . 2 1 1 A 24 24 ASN HA H 24 5.252 5.764 -0.512 1
1 258 . 2 1 1 A 24 24 ASN C C 24 174.672 173.648 1.024 1
1 259 . 2 1 1 A 24 24 ASN CA C 24 54.262 52.600 1.662 1
1 260 . 2 1 1 A 24 24 ASN CB C 24 40.495 41.747 -1.252 1
1 261 . 2 1 1 A 24 24 ASN N N 24 124.418 118.946 5.472 1
1 263 . 2 1 1 A 25 25 ILE H H 25 9.453 9.080 0.373 1
1 264 . 2 1 1 A 25 25 ILE HA H 25 4.896 4.827 0.069 1
1 274 . 2 1 1 A 25 25 ILE C C 25 173.645 174.842 -1.197 1
1 275 . 2 1 1 A 25 25 ILE CA C 25 61.580 60.154 1.426 1
1 276 . 2 1 1 A 25 25 ILE CB C 25 44.146 42.754 1.392 1
1 280 . 2 1 1 A 25 25 ILE N N 25 122.056 124.232 -2.176 1
1 281 . 2 1 1 A 26 26 HIS H H 26 9.716 8.763 0.953 1
1 282 . 2 1 1 A 26 26 HIS HA H 26 5.404 5.321 0.083 1
1 286 . 2 1 1 A 26 26 HIS C C 26 175.078 174.294 0.784 1
1 287 . 2 1 1 A 26 26 HIS CA C 26 55.881 54.890 0.991 1
1 288 . 2 1 1 A 26 26 HIS CB C 26 32.829 31.162 1.667 1
1 290 . 2 1 1 A 26 26 HIS N N 26 126.720 125.131 1.589 1
1 291 . 2 1 1 A 27 27 ILE H H 27 9.935 9.329 0.606 1
1 292 . 2 1 1 A 27 27 ILE HA H 27 5.096 4.774 0.322 1
1 302 . 2 1 1 A 27 27 ILE C C 27 174.860 175.068 -0.208 1
1 303 . 2 1 1 A 27 27 ILE CA C 27 61.915 60.462 1.453 1
1 304 . 2 1 1 A 27 27 ILE CB C 27 40.667 39.466 1.201 1
1 308 . 2 1 1 A 27 27 ILE N N 27 123.352 124.498 -1.146 1
1 309 . 2 1 1 A 28 28 ARG H H 28 9.315 9.285 0.030 1
1 310 . 2 1 1 A 28 28 ARG HA H 28 5.621 5.077 0.544 1
1 317 . 2 1 1 A 28 28 ARG C C 28 175.573 175.010 0.563 1
1 318 . 2 1 1 A 28 28 ARG CA C 28 54.904 54.961 -0.057 1
1 319 . 2 1 1 A 28 28 ARG CB C 28 33.782 32.189 1.593 1
1 322 . 2 1 1 A 28 28 ARG N N 28 127.731 127.825 -0.094 1
1 323 . 2 1 1 A 29 29 TYR H H 29 7.656 8.308 -0.652 1
1 324 . 2 1 1 A 29 29 TYR HA H 29 5.831 6.047 -0.216 1
1 331 . 2 1 1 A 29 29 TYR C C 29 173.770 174.397 -0.627 1
1 332 . 2 1 1 A 29 29 TYR CA C 29 55.377 55.384 -0.007 1
1 333 . 2 1 1 A 29 29 TYR CB C 29 43.035 41.472 1.563 1
1 338 . 2 1 1 A 29 29 TYR N N 29 117.229 120.322 -3.093 1
1 339 . 2 1 1 A 30 30 GLU H H 30 8.323 8.475 -0.152 1
1 340 . 2 1 1 A 30 30 GLU HA H 30 4.381 4.683 -0.302 1
1 345 . 2 1 1 A 30 30 GLU C C 30 173.976 175.187 -1.211 1
1 346 . 2 1 1 A 30 30 GLU CA C 30 55.235 55.242 -0.007 1
1 347 . 2 1 1 A 30 30 GLU CB C 30 34.494 31.667 2.827 1
1 349 . 2 1 1 A 30 30 GLU N N 30 117.003 123.171 -6.168 1
1 350 . 2 1 1 A 31 31 VAL H H 31 8.957 8.472 0.485 1
1 351 . 2 1 1 A 31 31 VAL HA H 31 4.262 4.124 0.138 1
1 359 . 2 1 1 A 31 31 VAL C C 31 175.045 175.367 -0.322 1
1 360 . 2 1 1 A 31 31 VAL CA C 31 63.418 62.485 0.933 1
1 361 . 2 1 1 A 31 31 VAL CB C 31 32.211 31.004 1.207 1
1 364 . 2 1 1 A 31 31 VAL N N 31 125.299 125.249 0.050 1
1 365 . 2 1 1 A 32 32 ARG H H 32 8.550 8.364 0.186 1
1 366 . 2 1 1 A 32 32 ARG HA H 32 4.408 4.787 -0.379 1
1 373 . 2 1 1 A 32 32 ARG C C 32 173.222 174.021 -0.799 1
1 374 . 2 1 1 A 32 32 ARG CA C 32 55.048 54.364 0.684 1
1 375 . 2 1 1 A 32 32 ARG CB C 32 34.646 34.029 0.617 1
1 378 . 2 1 1 A 32 32 ARG N N 32 128.345 127.868 0.477 1
1 379 . 2 1 1 A 33 33 GLN H H 33 8.148 8.690 -0.542 1
1 380 . 2 1 1 A 33 33 GLN HA H 33 4.697 5.272 -0.575 1
1 387 . 2 1 1 A 33 33 GLN C C 33 175.419 175.498 -0.079 1
1 388 . 2 1 1 A 33 33 GLN CA C 33 55.943 54.559 1.384 1
1 389 . 2 1 1 A 33 33 GLN CB C 33 31.679 30.758 0.921 1
1 391 . 2 1 1 A 33 33 GLN N N 33 116.088 121.709 -5.621 1
1 393 . 2 1 1 A 34 34 ASN H H 34 8.323 8.978 -0.655 1
1 394 . 2 1 1 A 34 34 ASN HA H 34 4.825 5.185 -0.360 1
1 399 . 2 1 1 A 34 34 ASN CA C 34 53.468 51.502 1.966 1
1 400 . 2 1 1 A 34 34 ASN CB C 34 41.559 39.903 1.656 1
1 401 . 2 1 1 A 34 34 ASN N N 34 121.088 122.993 -1.905 1
1 403 . 2 1 1 A 35 35 ALA HA H 35 4.099 4.028 0.071 1
1 407 . 2 1 1 A 35 35 ALA C C 35 178.472 179.276 -0.804 1
1 408 . 2 1 1 A 35 35 ALA CA C 35 55.591 54.698 0.893 1
1 409 . 2 1 1 A 35 35 ALA CB C 35 19.600 18.258 1.342 1
1 410 . 2 1 1 A 36 36 GLU H H 36 8.362 7.900 0.462 1
1 411 . 2 1 1 A 36 36 GLU HA H 36 4.263 4.079 0.184 1
1 416 . 2 1 1 A 36 36 GLU C C 36 177.727 177.660 0.067 1
1 417 . 2 1 1 A 36 36 GLU CA C 36 59.010 58.958 0.052 1
1 418 . 2 1 1 A 36 36 GLU CB C 36 31.059 30.359 0.700 1
1 420 . 2 1 1 A 36 36 GLU N N 36 116.669 119.742 -3.073 1
1 421 . 2 1 1 A 37 37 SER H H 37 8.338 8.058 0.280 1
1 422 . 2 1 1 A 37 37 SER HA H 37 4.515 4.730 -0.215 1
1 425 . 2 1 1 A 37 37 SER C C 37 175.134 174.812 0.322 1
1 426 . 2 1 1 A 37 37 SER CA C 37 59.568 57.708 1.860 1
1 427 . 2 1 1 A 37 37 SER CB C 37 65.114 63.751 1.363 1
1 428 . 2 1 1 A 37 37 SER N N 37 111.971 113.117 -1.146 1
1 429 . 2 1 1 A 38 38 GLY H H 38 8.098 7.694 0.404 1
1 430 . 2 1 1 A 38 38 GLY HA2 H 38 4.294 3.967 0.327 1
1 431 . 2 1 1 A 38 38 GLY HA3 H 38 3.975 3.973 0.002 1
1 432 . 2 1 1 A 38 38 GLY C C 38 173.759 174.104 -0.345 1
1 433 . 2 1 1 A 38 38 GLY CA C 38 45.904 47.013 -1.109 1
1 434 . 2 1 1 A 38 38 GLY N N 38 111.508 110.434 1.074 1
1 435 . 2 1 1 A 39 39 ALA H H 39 8.450 8.180 0.270 1
1 436 . 2 1 1 A 39 39 ALA HA H 39 4.902 4.729 0.173 1
1 440 . 2 1 1 A 39 39 ALA C C 39 177.193 177.225 -0.032 1
1 441 . 2 1 1 A 39 39 ALA CA C 39 52.880 51.703 1.177 1
1 442 . 2 1 1 A 39 39 ALA CB C 39 20.714 20.066 0.648 1
1 443 . 2 1 1 A 39 39 ALA N N 39 124.210 126.493 -2.283 1
1 444 . 2 1 1 A 40 40 TYR H H 40 8.854 8.551 0.303 1
1 445 . 2 1 1 A 40 40 TYR HA H 40 4.796 5.295 -0.499 1
1 452 . 2 1 1 A 40 40 TYR C C 40 171.595 172.699 -1.104 1
1 453 . 2 1 1 A 40 40 TYR CA C 40 56.552 56.060 0.492 1
1 454 . 2 1 1 A 40 40 TYR CB C 40 41.319 40.623 0.696 1
1 459 . 2 1 1 A 40 40 TYR N N 40 118.580 116.722 1.858 1
1 460 . 2 1 1 A 41 41 VAL H H 41 9.275 8.226 1.049 1
1 461 . 2 1 1 A 41 41 VAL HA H 41 4.430 4.508 -0.078 1
1 469 . 2 1 1 A 41 41 VAL C C 41 174.098 173.783 0.315 1
1 470 . 2 1 1 A 41 41 VAL CA C 41 61.566 60.352 1.214 1
1 471 . 2 1 1 A 41 41 VAL CB C 41 33.852 34.807 -0.955 1
1 474 . 2 1 1 A 41 41 VAL N N 41 118.445 118.859 -0.414 1
1 475 . 2 1 1 A 42 42 HIS H H 42 8.789 8.623 0.166 1
1 476 . 2 1 1 A 42 42 HIS HA H 42 4.814 4.747 0.067 1
1 480 . 2 1 1 A 42 42 HIS C C 42 172.353 172.993 -0.640 1
1 481 . 2 1 1 A 42 42 HIS CA C 42 56.537 54.808 1.729 1
1 482 . 2 1 1 A 42 42 HIS CB C 42 31.587 30.612 0.975 1
1 484 . 2 1 1 A 42 42 HIS N N 42 125.741 126.443 -0.702 1
1 485 . 2 1 1 A 43 43 PHE H H 43 8.604 8.590 0.014 1
1 486 . 2 1 1 A 43 43 PHE HA H 43 4.933 4.947 -0.014 1
1 494 . 2 1 1 A 43 43 PHE C C 43 174.119 174.019 0.100 1
1 495 . 2 1 1 A 43 43 PHE CA C 43 56.591 57.239 -0.648 1
1 496 . 2 1 1 A 43 43 PHE CB C 43 41.053 39.959 1.094 1
1 502 . 2 1 1 A 43 43 PHE N N 43 125.631 126.755 -1.124 1
1 503 . 2 1 1 A 44 44 ASP H H 44 9.322 9.211 0.111 1
1 504 . 2 1 1 A 44 44 ASP HA H 44 5.187 5.548 -0.361 1
1 507 . 2 1 1 A 44 44 ASP C C 44 175.076 174.632 0.444 1
1 508 . 2 1 1 A 44 44 ASP CA C 44 55.145 52.979 2.166 1
1 509 . 2 1 1 A 44 44 ASP CB C 44 45.197 44.518 0.679 1
1 510 . 2 1 1 A 44 44 ASP N N 44 121.184 123.169 -1.985 1
1 511 . 2 1 1 A 45 45 MET H H 45 9.110 8.852 0.258 1
1 512 . 2 1 1 A 45 45 MET HA H 45 5.765 5.983 -0.218 1
1 520 . 2 1 1 A 45 45 MET C C 45 173.254 174.091 -0.837 1
1 521 . 2 1 1 A 45 45 MET CA C 45 54.810 54.355 0.455 1
1 522 . 2 1 1 A 45 45 MET CB C 45 38.632 36.942 1.690 1
1 525 . 2 1 1 A 45 45 MET N N 45 121.976 123.711 -1.735 1
1 526 . 2 1 1 A 46 46 ASP H H 46 8.763 8.336 0.427 1
1 527 . 2 1 1 A 46 46 ASP HA H 46 4.373 4.611 -0.238 1
1 530 . 2 1 1 A 46 46 ASP C C 46 173.396 174.194 -0.798 1
1 531 . 2 1 1 A 46 46 ASP CA C 46 53.810 52.546 1.264 1
1 532 . 2 1 1 A 46 46 ASP CB C 46 44.722 43.639 1.083 1
1 533 . 2 1 1 A 46 46 ASP N N 46 121.797 121.009 0.788 1
1 534 . 2 1 1 A 47 47 GLY H H 47 7.154 7.693 -0.539 1
1 535 . 2 1 1 A 47 47 GLY HA2 H 47 5.075 3.929 1.146 1
1 536 . 2 1 1 A 47 47 GLY HA3 H 47 3.927 4.053 -0.126 1
1 537 . 2 1 1 A 47 47 GLY C C 47 172.328 171.964 0.364 1
1 538 . 2 1 1 A 47 47 GLY CA C 47 45.820 45.020 0.800 1
1 539 . 2 1 1 A 47 47 GLY N N 47 105.470 105.462 0.008 1
1 540 . 2 1 1 A 48 48 GLU H H 48 9.100 8.803 0.297 1
1 541 . 2 1 1 A 48 48 GLU HA H 48 5.257 5.576 -0.319 1
1 546 . 2 1 1 A 48 48 GLU C C 48 175.019 174.452 0.567 1
1 547 . 2 1 1 A 48 48 GLU CA C 48 56.247 55.155 1.092 1
1 548 . 2 1 1 A 48 48 GLU CB C 48 35.076 34.070 1.006 1
1 550 . 2 1 1 A 48 48 GLU N N 48 119.799 119.210 0.589 1
1 551 . 2 1 1 A 49 49 ILE H H 49 7.945 8.793 -0.848 1
1 552 . 2 1 1 A 49 49 ILE HA H 49 4.540 4.490 0.050 1
1 562 . 2 1 1 A 49 49 ILE C C 49 176.382 175.581 0.801 1
1 563 . 2 1 1 A 49 49 ILE CA C 49 61.321 60.623 0.698 1
1 564 . 2 1 1 A 49 49 ILE CB C 49 41.847 40.407 1.440 1
1 568 . 2 1 1 A 49 49 ILE N N 49 120.718 120.117 0.601 1
1 569 . 2 1 1 A 50 50 ASP H H 50 10.048 9.789 0.259 1
1 570 . 2 1 1 A 50 50 ASP HA H 50 4.522 4.396 0.126 1
1 573 . 2 1 1 A 50 50 ASP C C 50 176.193 176.234 -0.041 1
1 574 . 2 1 1 A 50 50 ASP CA C 50 56.872 55.638 1.234 1
1 575 . 2 1 1 A 50 50 ASP CB C 50 40.754 39.684 1.070 1
1 576 . 2 1 1 A 50 50 ASP N N 50 130.256 129.442 0.814 1
1 577 . 2 1 1 A 51 51 GLY H H 51 9.048 8.420 0.628 1
1 578 . 2 1 1 A 51 51 GLY HA2 H 51 4.126 3.897 0.229 1
1 579 . 2 1 1 A 51 51 GLY HA3 H 51 3.660 3.912 -0.252 1
1 580 . 2 1 1 A 51 51 GLY C C 51 173.935 174.305 -0.370 1
1 581 . 2 1 1 A 51 51 GLY CA C 51 46.194 45.244 0.950 1
1 582 . 2 1 1 A 51 51 GLY N N 51 103.446 104.040 -0.594 1
1 583 . 2 1 1 A 52 52 LYS H H 52 7.905 7.572 0.333 1
1 584 . 2 1 1 A 52 52 LYS HA H 52 5.014 4.513 0.501 1
1 593 . 2 1 1 A 52 52 LYS CA C 52 53.809 53.533 0.276 1
1 594 . 2 1 1 A 52 52 LYS CB C 52 33.788 32.769 1.019 1
1 598 . 2 1 1 A 52 52 LYS N N 52 122.692 121.670 1.022 1
1 599 . 2 1 1 A 53 53 PRO HA H 53 5.523 5.400 0.123 1
1 606 . 2 1 1 A 53 53 PRO C C 53 176.300 176.811 -0.511 1
1 607 . 2 1 1 A 53 53 PRO CA C 53 62.896 62.665 0.231 1
1 608 . 2 1 1 A 53 53 PRO CB C 53 33.920 32.783 1.137 1
1 611 . 2 1 1 A 54 54 PHE H H 54 8.643 8.790 -0.147 1
1 612 . 2 1 1 A 54 54 PHE HA H 54 4.907 5.041 -0.134 1
1 620 . 2 1 1 A 54 54 PHE C C 54 172.840 172.837 0.003 1
1 621 . 2 1 1 A 54 54 PHE CA C 54 57.173 56.094 1.079 1
1 622 . 2 1 1 A 54 54 PHE CB C 54 43.620 41.132 2.488 1
1 628 . 2 1 1 A 54 54 PHE N N 54 117.436 118.217 -0.781 1
1 629 . 2 1 1 A 55 55 SER H H 55 8.009 8.918 -0.909 1
1 630 . 2 1 1 A 55 55 SER HA H 55 4.822 5.032 -0.210 1
1 633 . 2 1 1 A 55 55 SER C C 55 172.856 172.510 0.346 1
1 634 . 2 1 1 A 55 55 SER CA C 55 58.238 56.886 1.352 1
1 635 . 2 1 1 A 55 55 SER CB C 55 66.163 65.557 0.606 1
1 636 . 2 1 1 A 55 55 SER N N 55 113.907 114.049 -0.142 1
1 637 . 2 1 1 A 56 56 ASP H H 56 9.593 8.716 0.877 1
1 638 . 2 1 1 A 56 56 ASP HA H 56 4.985 5.633 -0.648 1
1 641 . 2 1 1 A 56 56 ASP C C 56 175.049 174.397 0.652 1
1 642 . 2 1 1 A 56 56 ASP CA C 56 54.043 53.222 0.821 1
1 643 . 2 1 1 A 56 56 ASP CB C 56 46.425 45.125 1.300 1
1 644 . 2 1 1 A 56 56 ASP N N 56 125.145 124.386 0.759 1
1 645 . 2 1 1 A 57 57 SER H H 57 10.207 8.644 1.563 1
1 646 . 2 1 1 A 57 57 SER HA H 57 5.383 5.399 -0.016 1
1 649 . 2 1 1 A 57 57 SER C C 57 172.452 173.591 -1.139 1
1 650 . 2 1 1 A 57 57 SER CA C 57 59.008 57.087 1.921 1
1 651 . 2 1 1 A 57 57 SER CB C 57 67.802 66.123 1.679 1
1 652 . 2 1 1 A 57 57 SER N N 57 115.172 116.143 -0.971 1
1 653 . 2 1 1 A 58 58 PHE H H 58 8.623 8.728 -0.105 1
1 654 . 2 1 1 A 58 58 PHE HA H 58 4.904 5.662 -0.758 1
1 662 . 2 1 1 A 58 58 PHE C C 58 172.447 173.120 -0.673 1
1 663 . 2 1 1 A 58 58 PHE CA C 58 57.781 55.270 2.511 1
1 664 . 2 1 1 A 58 58 PHE CB C 58 40.736 42.918 -2.182 1
1 670 . 2 1 1 A 58 58 PHE N N 58 115.065 118.201 -3.136 1
1 671 . 2 1 1 A 59 59 GLU H H 59 8.721 8.896 -0.175 1
1 672 . 2 1 1 A 59 59 GLU HA H 59 5.595 5.120 0.475 1
1 677 . 2 1 1 A 59 59 GLU C C 59 175.836 175.534 0.302 1
1 678 . 2 1 1 A 59 59 GLU CA C 59 55.290 55.399 -0.109 1
1 679 . 2 1 1 A 59 59 GLU CB C 59 34.345 32.534 1.811 1
1 681 . 2 1 1 A 59 59 GLU N N 59 118.122 119.187 -1.065 1
1 682 . 2 1 1 A 60 60 LEU H H 60 9.016 8.810 0.206 1
1 683 . 2 1 1 A 60 60 LEU HA H 60 5.221 4.970 0.251 1
1 693 . 2 1 1 A 60 60 LEU CA C 60 52.275 51.141 1.134 1
1 694 . 2 1 1 A 60 60 LEU CB C 60 46.774 45.771 1.003 1
1 698 . 2 1 1 A 60 60 LEU N N 60 121.299 125.525 -4.226 1
1 699 . 2 1 1 A 61 61 PRO HA H 61 4.614 4.637 -0.023 1
1 706 . 2 1 1 A 61 61 PRO C C 61 176.316 177.892 -1.576 1
1 707 . 2 1 1 A 61 61 PRO CA C 61 62.719 62.826 -0.107 1
1 708 . 2 1 1 A 61 61 PRO CB C 61 33.758 32.773 0.985 1
1 711 . 2 1 1 A 62 62 ARG H H 62 8.017 8.667 -0.650 1
1 712 . 2 1 1 A 62 62 ARG HA H 62 3.738 4.036 -0.298 1
1 719 . 2 1 1 A 62 62 ARG C C 62 176.976 178.077 -1.101 1
1 720 . 2 1 1 A 62 62 ARG CA C 62 60.653 59.355 1.298 1
1 721 . 2 1 1 A 62 62 ARG CB C 62 31.549 29.798 1.751 1
1 724 . 2 1 1 A 62 62 ARG N N 62 118.159 122.698 -4.539 1
1 725 . 2 1 1 A 63 63 ASP H H 63 8.665 8.150 0.515 1
1 726 . 2 1 1 A 63 63 ASP HA H 63 4.484 4.625 -0.141 1
1 729 . 2 1 1 A 63 63 ASP C C 63 177.483 177.574 -0.091 1
1 730 . 2 1 1 A 63 63 ASP CA C 63 57.335 56.845 0.490 1
1 731 . 2 1 1 A 63 63 ASP CB C 63 41.410 41.247 0.163 1
1 732 . 2 1 1 A 63 63 ASP N N 63 113.726 119.752 -6.026 1
1 733 . 2 1 1 A 64 64 THR H H 64 7.553 7.760 -0.207 1
1 734 . 2 1 1 A 64 64 THR HA H 64 4.562 5.159 -0.597 1
1 739 . 2 1 1 A 64 64 THR C C 64 175.654 175.426 0.228 1
1 740 . 2 1 1 A 64 64 THR CA C 64 61.499 60.885 0.614 1
1 741 . 2 1 1 A 64 64 THR CB C 64 69.606 69.306 0.300 1
1 743 . 2 1 1 A 64 64 THR N N 64 107.855 105.659 2.196 1
1 744 . 2 1 1 A 65 65 ALA H H 65 7.406 7.691 -0.285 1
1 745 . 2 1 1 A 65 65 ALA HA H 65 4.012 4.356 -0.344 1
1 749 . 2 1 1 A 65 65 ALA C C 65 176.820 179.979 -3.159 1
1 750 . 2 1 1 A 65 65 ALA CA C 65 55.939 54.998 0.941 1
1 751 . 2 1 1 A 65 65 ALA CB C 65 19.454 18.407 1.047 1
1 752 . 2 1 1 A 65 65 ALA N N 65 123.777 125.925 -2.148 1
1 753 . 2 1 1 A 66 66 PHE H H 66 7.583 7.932 -0.349 1
1 754 . 2 1 1 A 66 66 PHE HA H 66 4.381 4.514 -0.133 1
1 762 . 2 1 1 A 66 66 PHE C C 66 176.104 177.926 -1.822 1
1 763 . 2 1 1 A 66 66 PHE CA C 66 58.836 61.468 -2.632 1
1 764 . 2 1 1 A 66 66 PHE CB C 66 37.740 38.097 -0.357 1
1 770 . 2 1 1 A 66 66 PHE N N 66 110.346 115.998 -5.652 1
1 771 . 2 1 1 A 67 67 ASN H H 67 7.984 8.366 -0.382 1
1 772 . 2 1 1 A 67 67 ASN HA H 67 4.848 4.747 0.101 1
1 777 . 2 1 1 A 67 67 ASN C C 67 175.700 177.176 -1.476 1
1 778 . 2 1 1 A 67 67 ASN CA C 67 53.469 54.584 -1.115 1
1 779 . 2 1 1 A 67 67 ASN CB C 67 38.836 38.342 0.494 1
1 780 . 2 1 1 A 67 67 ASN N N 67 120.591 118.368 2.223 1
1 782 . 2 1 1 A 68 68 PHE H H 68 7.218 8.223 -1.005 1
1 783 . 2 1 1 A 68 68 PHE HA H 68 4.054 4.381 -0.327 1
1 790 . 2 1 1 A 68 68 PHE C C 68 174.796 177.027 -2.231 1
1 791 . 2 1 1 A 68 68 PHE CA C 68 60.849 59.548 1.301 1
1 792 . 2 1 1 A 68 68 PHE CB C 68 40.263 37.070 3.193 1
1 797 . 2 1 1 A 68 68 PHE N N 68 115.915 118.824 -2.909 1
1 798 . 2 1 1 A 69 69 ALA H H 69 7.780 7.946 -0.166 1
1 799 . 2 1 1 A 69 69 ALA HA H 69 3.484 2.981 0.503 1
1 803 . 2 1 1 A 69 69 ALA C C 69 180.022 179.253 0.769 1
1 804 . 2 1 1 A 69 69 ALA CA C 69 56.283 54.423 1.860 1
1 805 . 2 1 1 A 69 69 ALA CB C 69 18.935 17.951 0.984 1
1 806 . 2 1 1 A 69 69 ALA N N 69 124.604 123.706 0.898 1
1 807 . 2 1 1 A 70 70 SER H H 70 7.852 7.936 -0.084 1
1 808 . 2 1 1 A 70 70 SER HA H 70 4.061 3.998 0.063 1
1 811 . 2 1 1 A 70 70 SER C C 70 177.054 176.848 0.206 1
1 812 . 2 1 1 A 70 70 SER CA C 70 62.085 61.287 0.798 1
1 813 . 2 1 1 A 70 70 SER CB C 70 62.976 62.352 0.624 1
1 814 . 2 1 1 A 70 70 SER N N 70 114.973 112.754 2.219 1
1 815 . 2 1 1 A 71 71 ASP H H 71 7.602 7.953 -0.351 1
1 816 . 2 1 1 A 71 71 ASP HA H 71 4.012 4.125 -0.113 1
1 819 . 2 1 1 A 71 71 ASP C C 71 177.086 178.324 -1.238 1
1 820 . 2 1 1 A 71 71 ASP CA C 71 58.501 56.596 1.905 1
1 821 . 2 1 1 A 71 71 ASP CB C 71 42.006 40.501 1.505 1
1 822 . 2 1 1 A 71 71 ASP N N 71 123.211 122.626 0.585 1
1 823 . 2 1 1 A 72 72 ALA H H 72 8.406 8.230 0.176 1
1 824 . 2 1 1 A 72 72 ALA HA H 72 3.671 4.316 -0.645 1
1 828 . 2 1 1 A 72 72 ALA C C 72 179.377 179.878 -0.501 1
1 829 . 2 1 1 A 72 72 ALA CA C 72 55.717 55.340 0.377 1
1 830 . 2 1 1 A 72 72 ALA CB C 72 18.658 18.521 0.137 1
1 831 . 2 1 1 A 72 72 ALA N N 72 119.793 122.143 -2.350 1
1 832 . 2 1 1 A 73 73 THR H H 73 7.631 7.404 0.227 1
1 833 . 2 1 1 A 73 73 THR HA H 73 3.562 3.870 -0.308 1
1 838 . 2 1 1 A 73 73 THR C C 73 175.072 176.252 -1.180 1
1 839 . 2 1 1 A 73 73 THR CA C 73 68.525 66.610 1.915 1
1 840 . 2 1 1 A 73 73 THR CB C 73 69.564 68.299 1.265 1
1 842 . 2 1 1 A 73 73 THR N N 73 114.702 114.735 -0.033 1
1 843 . 2 1 1 A 74 74 ARG H H 74 7.629 7.859 -0.230 1
1 844 . 2 1 1 A 74 74 ARG HA H 74 3.795 3.927 -0.132 1
1 851 . 2 1 1 A 74 74 ARG C C 74 176.832 178.365 -1.533 1
1 852 . 2 1 1 A 74 74 ARG CA C 74 60.580 58.759 1.821 1
1 853 . 2 1 1 A 74 74 ARG CB C 74 30.409 29.601 0.808 1
1 856 . 2 1 1 A 74 74 ARG N N 74 122.528 120.981 1.547 1
1 857 . 2 1 1 A 75 75 VAL H H 75 8.008 8.171 -0.163 1
1 858 . 2 1 1 A 75 75 VAL HA H 75 3.439 3.575 -0.136 1
1 866 . 2 1 1 A 75 75 VAL C C 75 177.802 177.865 -0.063 1
1 867 . 2 1 1 A 75 75 VAL CA C 75 67.492 66.271 1.221 1
1 868 . 2 1 1 A 75 75 VAL CB C 75 32.220 31.524 0.696 1
1 871 . 2 1 1 A 75 75 VAL N N 75 120.044 119.191 0.853 1
1 872 . 2 1 1 A 76 76 ALA H H 76 8.092 7.804 0.288 1
1 873 . 2 1 1 A 76 76 ALA HA H 76 3.537 3.745 -0.208 1
1 877 . 2 1 1 A 76 76 ALA C C 76 180.078 179.705 0.373 1
1 878 . 2 1 1 A 76 76 ALA CA C 76 56.194 55.346 0.848 1
1 879 . 2 1 1 A 76 76 ALA CB C 76 18.882 17.898 0.984 1
1 880 . 2 1 1 A 76 76 ALA N N 76 120.726 122.101 -1.375 1
1 881 . 2 1 1 A 77 77 GLN H H 77 8.432 7.947 0.485 1
1 882 . 2 1 1 A 77 77 GLN HA H 77 4.428 4.243 0.185 1
1 885 . 2 1 1 A 77 77 GLN CA C 77 58.987 58.840 0.147 1
1 887 . 2 1 1 A 77 77 GLN N N 77 118.235 117.715 0.520 1
1 888 . 2 1 1 A 78 78 LYS H H 78 7.655 7.788 -0.133 1
1 889 . 2 1 1 A 78 78 LYS HA H 78 3.874 4.066 -0.192 1
1 898 . 2 1 1 A 78 78 LYS C C 78 177.044 177.369 -0.325 1
1 899 . 2 1 1 A 78 78 LYS CA C 78 59.393 58.589 0.804 1
1 900 . 2 1 1 A 78 78 LYS CB C 78 32.583 31.933 0.650 1
1 904 . 2 1 1 A 78 78 LYS N N 78 121.797 120.544 1.253 1
1 905 . 2 1 1 A 79 79 HIS H H 79 6.888 7.618 -0.730 1
1 906 . 2 1 1 A 79 79 HIS HA H 79 4.501 4.610 -0.109 1
1 909 . 2 1 1 A 79 79 HIS C C 79 174.191 175.059 -0.868 1
1 910 . 2 1 1 A 79 79 HIS CA C 79 56.166 55.625 0.541 1
1 911 . 2 1 1 A 79 79 HIS CB C 79 30.993 29.557 1.436 1
1 912 . 2 1 1 A 79 79 HIS N N 79 115.368 117.306 -1.938 1
1 913 . 2 1 1 A 80 80 GLY H H 80 7.159 7.537 -0.378 1
1 914 . 2 1 1 A 80 80 GLY HA2 H 80 4.433 3.761 0.672 1
1 915 . 2 1 1 A 80 80 GLY HA3 H 80 3.541 3.816 -0.275 1
1 916 . 2 1 1 A 80 80 GLY C C 80 175.246 173.905 1.341 1
1 917 . 2 1 1 A 80 80 GLY CA C 80 45.823 46.518 -0.695 1
1 918 . 2 1 1 A 80 80 GLY N N 80 104.319 107.914 -3.595 1
1 919 . 2 1 1 A 81 81 LEU H H 81 7.962 7.423 0.539 1
1 920 . 2 1 1 A 81 81 LEU HA H 81 4.012 5.162 -1.150 1
1 930 . 2 1 1 A 81 81 LEU CA C 81 56.383 54.183 2.200 1
1 931 . 2 1 1 A 81 81 LEU CB C 81 43.506 45.817 -2.311 1
1 935 . 2 1 1 A 81 81 LEU N N 81 124.945 120.410 4.535 1
1 936 . 2 1 1 A 83 83 PRO HA H 83 4.248 4.625 -0.377 1
1 943 . 2 1 1 A 83 83 PRO CA C 83 65.606 62.291 3.315 1
1 944 . 2 1 1 A 83 83 PRO CB C 83 32.805 29.982 2.823 1
1 947 . 2 1 1 A 84 84 LYS HA H 84 4.132 4.049 0.083 1
1 956 . 2 1 1 A 84 84 LYS CA C 84 59.351 59.266 0.085 1
1 957 . 2 1 1 A 84 84 LYS CB C 84 33.109 32.007 1.102 1
1 961 . 2 1 1 A 85 85 PHE HA H 85 3.941 4.454 -0.513 1
1 964 . 2 1 1 A 85 85 PHE CA C 85 59.693 59.249 0.444 1
1 965 . 2 1 1 A 85 85 PHE CB C 85 39.968 37.607 2.361 1
1 966 . 2 1 1 A 86 86 GLY HA2 H 86 3.721 3.443 0.278 1
1 967 . 2 1 1 A 86 86 GLY HA3 H 86 3.659 3.452 0.207 1
1 968 . 2 1 1 A 86 86 GLY CA C 86 44.471 46.488 -2.017 1
1 969 . 2 1 1 A 87 87 ALA HA H 87 4.274 4.125 0.149 1
1 973 . 2 1 1 A 87 87 ALA CA C 87 53.390 52.991 0.399 1
1 974 . 2 1 1 A 87 87 ALA CB C 87 20.262 19.562 0.700 1
1 975 . 2 1 1 A 88 88 ILE HA H 88 4.015 3.974 0.041 1
1 985 . 2 1 1 A 88 88 ILE CA C 88 63.697 61.178 2.519 1
1 986 . 2 1 1 A 88 88 ILE CB C 88 38.931 37.786 1.145 1
1 990 . 2 1 1 A 89 89 THR HA H 89 4.224 4.398 -0.174 1
1 994 . 2 1 1 A 89 89 THR CA C 89 63.088 63.346 -0.258 1
1 996 . 2 1 1 A 90 90 ARG HA H 90 4.105 4.344 -0.239 1
1 1003 . 2 1 1 A 90 90 ARG CA C 90 58.412 55.436 2.976 1
1 1004 . 2 1 1 A 90 90 ARG CB C 90 30.907 30.544 0.363 1
1 1007 . 2 1 1 A 91 91 VAL HA H 91 4.047 4.262 -0.215 1
1 1015 . 2 1 1 A 91 91 VAL C C 91 175.627 175.569 0.058 1
1 1016 . 2 1 1 A 91 91 VAL CA C 91 62.923 61.144 1.779 1
1 1017 . 2 1 1 A 91 91 VAL CB C 91 32.060 31.142 0.918 1
1 1020 . 2 1 1 A 92 92 HIS HA H 92 4.567 4.549 0.018 1
1 1023 . 2 1 1 A 92 92 HIS CA C 92 57.021 55.889 1.132 1
1 1024 . 2 1 1 A 92 92 HIS CB C 92 31.579 30.531 1.048 1
1 1025 . 2 1 1 A 93 93 LYS H H 93 8.490 8.921 -0.431 1
1 1026 . 2 1 1 A 93 93 LYS HA H 93 4.149 3.933 0.216 1
1 1035 . 2 1 1 A 93 93 LYS CA C 93 58.472 57.006 1.466 1
1 1036 . 2 1 1 A 93 93 LYS CB C 93 32.632 33.229 -0.597 1
1 1040 . 2 1 1 A 93 93 LYS N N 93 123.001 122.173 0.828 1
1 1041 . 2 1 1 A 94 94 GLU HA H 94 4.265 3.829 0.436 1
1 1046 . 2 1 1 A 94 94 GLU CA C 94 57.682 57.271 0.411 1
1 1047 . 2 1 1 A 94 94 GLU CB C 94 30.952 26.793 4.159 1
1 1049 . 2 1 1 A 95 95 TYR HA H 95 4.205 4.442 -0.237 1
1 1056 . 2 1 1 A 95 95 TYR C C 95 176.555 177.728 -1.173 1
1 1057 . 2 1 1 A 95 95 TYR CA C 95 60.582 61.331 -0.749 1
1 1058 . 2 1 1 A 95 95 TYR CB C 95 39.000 38.557 0.443 1
1 1063 . 2 1 1 A 96 96 ASP H H 96 8.104 8.258 -0.154 1
1 1064 . 2 1 1 A 96 96 ASP HA H 96 4.252 4.187 0.065 1
1 1067 . 2 1 1 A 96 96 ASP CA C 96 58.583 57.216 1.367 1
1 1068 . 2 1 1 A 96 96 ASP CB C 96 41.058 40.382 0.676 1
1 1069 . 2 1 1 A 96 96 ASP N N 96 120.068 119.302 0.766 1
1 1070 . 2 1 1 A 97 97 ALA HA H 97 3.964 4.085 -0.121 1
1 1074 . 2 1 1 A 97 97 ALA C C 97 179.912 179.599 0.313 1
1 1075 . 2 1 1 A 97 97 ALA CA C 97 55.582 55.289 0.293 1
1 1076 . 2 1 1 A 97 97 ALA CB C 97 18.849 18.435 0.414 1
1 1077 . 2 1 1 A 98 98 MET H H 98 7.422 8.142 -0.720 1
1 1078 . 2 1 1 A 98 98 MET HA H 98 3.847 4.220 -0.373 1
1 1083 . 2 1 1 A 98 98 MET C C 98 177.185 178.131 -0.946 1
1 1084 . 2 1 1 A 98 98 MET CA C 98 59.943 58.521 1.422 1
1 1085 . 2 1 1 A 98 98 MET CB C 98 32.583 32.095 0.488 1
1 1087 . 2 1 1 A 98 98 MET N N 98 120.651 118.938 1.713 1
1 1088 . 2 1 1 A 99 99 PHE H H 99 8.652 8.715 -0.063 1
1 1089 . 2 1 1 A 99 99 PHE HA H 99 4.150 4.148 0.002 1
1 1097 . 2 1 1 A 99 99 PHE C C 99 177.911 177.685 0.226 1
1 1098 . 2 1 1 A 99 99 PHE CA C 99 61.936 61.892 0.044 1
1 1099 . 2 1 1 A 99 99 PHE CB C 99 39.302 39.058 0.244 1
1 1105 . 2 1 1 A 99 99 PHE N N 99 119.857 120.524 -0.667 1
1 1106 . 2 1 1 A 100 100 GLU H H 100 8.232 8.043 0.189 1
1 1107 . 2 1 1 A 100 100 GLU HA H 100 4.094 4.237 -0.143 1
1 1112 . 2 1 1 A 100 100 GLU CA C 100 59.579 59.587 -0.008 1
1 1113 . 2 1 1 A 100 100 GLU CB C 100 29.878 28.945 0.933 1
1 1115 . 2 1 1 A 100 100 GLU N N 100 117.666 118.114 -0.448 1
1 1116 . 2 1 1 A 101 101 ASP HA H 101 4.568 4.417 0.151 1
1 1119 . 2 1 1 A 101 101 ASP C C 101 177.667 178.589 -0.922 1
1 1120 . 2 1 1 A 101 101 ASP CA C 101 58.940 57.757 1.183 1
1 1121 . 2 1 1 A 101 101 ASP CB C 101 43.462 41.392 2.070 1
1 1122 . 2 1 1 A 102 102 ILE H H 102 8.370 8.180 0.190 1
1 1123 . 2 1 1 A 102 102 ILE HA H 102 3.319 3.438 -0.119 1
1 1133 . 2 1 1 A 102 102 ILE C C 102 177.347 178.103 -0.756 1
1 1134 . 2 1 1 A 102 102 ILE CA C 102 67.567 65.358 2.209 1
1 1135 . 2 1 1 A 102 102 ILE CB C 102 38.766 37.280 1.486 1
1 1139 . 2 1 1 A 102 102 ILE N N 102 118.449 119.273 -0.824 1
1 1140 . 2 1 1 A 103 103 ARG H H 103 8.450 8.236 0.214 1
1 1141 . 2 1 1 A 103 103 ARG HA H 103 3.834 4.249 -0.415 1
1 1148 . 2 1 1 A 103 103 ARG C C 103 178.760 178.313 0.447 1
1 1149 . 2 1 1 A 103 103 ARG CA C 103 61.318 58.593 2.725 1
1 1150 . 2 1 1 A 103 103 ARG CB C 103 30.978 30.002 0.976 1
1 1153 . 2 1 1 A 103 103 ARG N N 103 118.941 120.495 -1.554 1
1 1154 . 2 1 1 A 104 104 ALA H H 104 8.289 7.633 0.656 1
1 1155 . 2 1 1 A 104 104 ALA HA H 104 4.072 4.078 -0.006 1
1 1159 . 2 1 1 A 104 104 ALA C C 104 181.340 179.954 1.386 1
1 1160 . 2 1 1 A 104 104 ALA CA C 104 56.021 55.308 0.713 1
1 1161 . 2 1 1 A 104 104 ALA CB C 104 18.962 18.855 0.107 1
1 1162 . 2 1 1 A 104 104 ALA N N 104 121.028 122.575 -1.547 1
1 1163 . 2 1 1 A 105 105 LYS H H 105 8.231 8.270 -0.039 1
1 1164 . 2 1 1 A 105 105 LYS HA H 105 4.013 4.039 -0.026 1
1 1173 . 2 1 1 A 105 105 LYS C C 105 179.414 179.444 -0.030 1
1 1174 . 2 1 1 A 105 105 LYS CA C 105 60.025 59.522 0.503 1
1 1175 . 2 1 1 A 105 105 LYS CB C 105 34.341 32.443 1.898 1
1 1179 . 2 1 1 A 105 105 LYS N N 105 118.789 117.451 1.338 1
1 1180 . 2 1 1 A 106 106 LEU H H 106 8.289 8.111 0.178 1
1 1181 . 2 1 1 A 106 106 LEU HA H 106 4.043 4.073 -0.030 1
1 1191 . 2 1 1 A 106 106 LEU C C 106 178.091 178.376 -0.285 1
1 1192 . 2 1 1 A 106 106 LEU CA C 106 57.469 57.372 0.097 1
1 1193 . 2 1 1 A 106 106 LEU CB C 106 43.248 41.166 2.082 1
1 1197 . 2 1 1 A 106 106 LEU N N 106 119.086 120.142 -1.056 1
1 1198 . 2 1 1 A 107 107 HIS H H 107 7.861 8.060 -0.199 1
1 1199 . 2 1 1 A 107 107 HIS HA H 107 4.428 4.411 0.017 1
1 1203 . 2 1 1 A 107 107 HIS C C 107 175.263 174.760 0.503 1
1 1204 . 2 1 1 A 107 107 HIS CA C 107 58.218 58.360 -0.142 1
1 1205 . 2 1 1 A 107 107 HIS CB C 107 30.819 30.495 0.324 1
1 1207 . 2 1 1 A 107 107 HIS N N 107 118.172 118.952 -0.780 1
1 1208 . 2 1 1 A 108 108 ALA H H 108 7.505 7.692 -0.187 1
1 1209 . 2 1 1 A 108 108 ALA HA H 108 4.218 3.940 0.278 1
1 1213 . 2 1 1 A 108 108 ALA C C 108 179.374 175.641 3.733 1
1 1214 . 2 1 1 A 108 108 ALA CA C 108 53.303 53.507 -0.204 1
1 1215 . 2 1 1 A 108 108 ALA CB C 108 20.005 17.931 2.074 1
1 1216 . 2 1 1 A 108 108 ALA N N 108 121.363 120.704 0.659 1
1 1217 . 2 1 1 A 109 109 HIS H H 109 7.987 7.566 0.421 1
1 1218 . 2 1 1 A 109 109 HIS HA H 109 4.770 5.092 -0.322 1
1 1221 . 2 1 1 A 109 109 HIS CA C 109 55.217 53.772 1.445 1
1 1222 . 2 1 1 A 109 109 HIS CB C 109 31.250 33.220 -1.970 1
1 1223 . 2 1 1 A 109 109 HIS N N 109 120.133 116.420 3.713 1
1 1224 . 2 1 1 A 110 110 PRO HA H 110 4.368 4.416 -0.048 1
1 1231 . 2 1 1 A 110 110 PRO C C 110 177.350 178.036 -0.686 1
1 1232 . 2 1 1 A 110 110 PRO CA C 110 64.430 63.395 1.035 1
1 1233 . 2 1 1 A 110 110 PRO CB C 110 32.912 32.419 0.493 1
1 1236 . 2 1 1 A 111 111 GLY H H 111 8.492 8.562 -0.070 1
1 1237 . 2 1 1 A 111 111 GLY HA2 H 111 3.925 3.793 0.132 1
1 1238 . 2 1 1 A 111 111 GLY HA3 H 111 3.925 3.851 0.074 1
1 1239 . 2 1 1 A 111 111 GLY C C 111 173.681 173.895 -0.214 1
1 1240 . 2 1 1 A 111 111 GLY CA C 111 45.831 47.017 -1.186 1
1 1241 . 2 1 1 A 111 111 GLY N N 111 109.622 108.999 0.623 1
1 1242 . 2 1 1 A 112 112 GLU H H 112 8.139 7.739 0.400 1
1 1243 . 2 1 1 A 112 112 GLU HA H 112 4.573 4.746 -0.173 1
1 1248 . 2 1 1 A 112 112 GLU CA C 112 55.099 53.926 1.173 1
1 1249 . 2 1 1 A 112 112 GLU CB C 112 30.664 32.053 -1.389 1
1 1251 . 2 1 1 A 112 112 GLU N N 112 121.771 115.248 6.523 1
1 1252 . 2 1 1 A 113 113 PRO HA H 113 4.411 4.495 -0.084 1
1 1259 . 2 1 1 A 113 113 PRO C C 113 176.943 176.574 0.369 1
1 1260 . 2 1 1 A 113 113 PRO CA C 113 63.990 62.774 1.216 1
1 1261 . 2 1 1 A 113 113 PRO CB C 113 32.817 31.811 1.006 1
1 1264 . 2 1 1 A 114 114 VAL H H 114 8.226 8.370 -0.144 1
1 1265 . 2 1 1 A 114 114 VAL HA H 114 4.036 4.218 -0.182 1
1 1273 . 2 1 1 A 114 114 VAL C C 114 175.708 176.560 -0.852 1
1 1274 . 2 1 1 A 114 114 VAL CA C 114 63.021 62.277 0.744 1
1 1275 . 2 1 1 A 114 114 VAL CB C 114 33.996 32.664 1.332 1
1 1278 . 2 1 1 A 114 114 VAL N N 114 120.138 121.748 -1.610 1
1 1279 . 2 1 1 A 115 115 ASP H H 115 8.313 8.438 -0.125 1
1 1280 . 2 1 1 A 115 115 ASP HA H 115 4.587 4.990 -0.403 1
1 1283 . 2 1 1 A 115 115 ASP C C 115 176.361 176.868 -0.507 1
1 1284 . 2 1 1 A 115 115 ASP CA C 115 54.760 52.852 1.908 1
1 1285 . 2 1 1 A 115 115 ASP CB C 115 41.888 40.482 1.406 1
1 1286 . 2 1 1 A 115 115 ASP N N 115 123.840 125.649 -1.809 1
1 1287 . 2 1 1 A 116 116 LEU H H 116 8.202 8.182 0.020 1
1 1288 . 2 1 1 A 116 116 LEU HA H 116 4.168 3.950 0.218 1
1 1298 . 2 1 1 A 116 116 LEU C C 116 177.811 178.779 -0.968 1
1 1299 . 2 1 1 A 116 116 LEU CA C 116 56.696 58.259 -1.563 1
1 1300 . 2 1 1 A 116 116 LEU CB C 116 43.084 41.714 1.370 1
1 1304 . 2 1 1 A 116 116 LEU N N 116 123.362 120.703 2.659 1
1 1305 . 2 1 1 A 117 117 GLU H H 117 8.311 7.941 0.370 1
1 1306 . 2 1 1 A 117 117 GLU HA H 117 4.141 4.149 -0.008 1
1 1311 . 2 1 1 A 117 117 GLU C C 117 176.687 178.338 -1.651 1
1 1312 . 2 1 1 A 117 117 GLU CA C 117 57.937 58.849 -0.912 1
1 1313 . 2 1 1 A 117 117 GLU CB C 117 30.685 29.601 1.084 1
1 1315 . 2 1 1 A 117 117 GLU N N 117 119.881 118.972 0.909 1
1 1316 . 2 1 1 A 118 118 ARG H H 118 7.930 7.934 -0.004 1
1 1317 . 2 1 1 A 118 118 ARG HA H 118 4.223 4.145 0.078 1
1 1324 . 2 1 1 A 118 118 ARG C C 118 176.125 178.608 -2.483 1
1 1325 . 2 1 1 A 118 118 ARG CA C 118 57.133 58.438 -1.305 1
1 1326 . 2 1 1 A 118 118 ARG CB C 118 31.445 29.929 1.516 1
1 1329 . 2 1 1 A 118 118 ARG N N 118 120.580 119.248 1.332 1
1 1330 . 2 1 1 A 119 119 ILE H H 119 7.926 7.873 0.053 1
1 1331 . 2 1 1 A 119 119 ILE HA H 119 4.041 4.006 0.035 1
1 1341 . 2 1 1 A 119 119 ILE C C 119 176.166 177.291 -1.125 1
1 1342 . 2 1 1 A 119 119 ILE CA C 119 62.131 64.057 -1.926 1
1 1343 . 2 1 1 A 119 119 ILE CB C 119 39.327 37.757 1.570 1
1 1347 . 2 1 1 A 119 119 ILE N N 119 121.721 118.408 3.313 1
1 1348 . 2 1 1 A 120 120 ILE H H 120 8.152 7.634 0.518 1
1 1349 . 2 1 1 A 120 120 ILE HA H 120 4.038 4.291 -0.253 1
1 1359 . 2 1 1 A 120 120 ILE C C 120 175.922 175.760 0.162 1
1 1360 . 2 1 1 A 120 120 ILE CA C 120 61.812 60.958 0.854 1
1 1361 . 2 1 1 A 120 120 ILE CB C 120 39.091 37.306 1.785 1
1 1365 . 2 1 1 A 120 120 ILE N N 120 125.274 119.626 5.648 1
1 1366 . 2 1 1 A 121 121 ARG H H 121 8.266 7.707 0.559 1
1 1367 . 2 1 1 A 121 121 ARG HA H 121 4.293 4.464 -0.171 1
1 1374 . 2 1 1 A 121 121 ARG CA C 121 56.489 55.867 0.622 1
1 1375 . 2 1 1 A 121 121 ARG CB C 121 31.785 29.693 2.092 1
1 1378 . 2 1 1 A 121 121 ARG N N 121 125.412 121.842 3.570 1
1 1379 . 2 1 1 A 122 122 HIS HA H 122 5.066 5.166 -0.100 1
1 1383 . 2 1 1 A 122 122 HIS C C 122 175.210 173.507 1.703 1
1 1384 . 2 1 1 A 122 122 HIS CA C 122 56.554 54.566 1.988 1
1 1385 . 2 1 1 A 122 122 HIS CB C 122 32.905 32.173 0.732 1
1 1387 . 2 1 1 A 123 123 GLU H H 123 8.936 9.036 -0.100 1
1 1388 . 2 1 1 A 123 123 GLU N N 123 121.008 119.221 1.787 1
1 1389 . 2 1 1 A 124 124 GLY HA2 H 124 3.984 4.058 -0.074 1
1 1390 . 2 1 1 A 124 124 GLY HA3 H 124 3.913 4.082 -0.169 1
1 1391 . 2 1 1 A 124 124 GLY C C 124 173.408 173.650 -0.242 1
1 1392 . 2 1 1 A 124 124 GLY CA C 124 46.124 45.274 0.850 1
1 10 . 3 1 1 A 2 2 GLY H H 2 8.402 8.116 0.286 1
1 11 . 3 1 1 A 2 2 GLY HA2 H 2 3.903 3.932 -0.029 1
1 12 . 3 1 1 A 2 2 GLY HA3 H 2 3.903 3.974 -0.071 1
1 13 . 3 1 1 A 2 2 GLY C C 2 172.919 174.477 -1.558 1
1 14 . 3 1 1 A 2 2 GLY CA C 2 45.814 47.308 -1.494 1
1 15 . 3 1 1 A 2 2 GLY N N 2 110.769 108.576 2.193 1
1 16 . 3 1 1 A 3 3 HIS H H 3 8.198 7.892 0.306 1
1 17 . 3 1 1 A 3 3 HIS N N 3 120.514 118.117 2.397 1
1 18 . 3 1 1 A 4 4 MET HA H 4 4.688 5.160 -0.472 1
1 26 . 3 1 1 A 4 4 MET CA C 4 56.462 53.779 2.683 1
1 27 . 3 1 1 A 4 4 MET CB C 4 35.293 35.591 -0.298 1
1 30 . 3 1 1 A 5 5 PHE H H 5 8.690 8.939 -0.249 1
1 31 . 3 1 1 A 5 5 PHE HA H 5 5.254 5.250 0.004 1
1 39 . 3 1 1 A 5 5 PHE C C 5 173.490 173.567 -0.077 1
1 40 . 3 1 1 A 5 5 PHE CA C 5 58.548 56.594 1.954 1
1 41 . 3 1 1 A 5 5 PHE CB C 5 43.312 42.903 0.409 1
1 47 . 3 1 1 A 5 5 PHE N N 5 123.462 128.090 -4.628 1
1 48 . 3 1 1 A 6 6 GLU H H 6 7.963 8.502 -0.539 1
1 49 . 3 1 1 A 6 6 GLU HA H 6 4.182 4.701 -0.519 1
1 54 . 3 1 1 A 6 6 GLU CA C 6 53.572 53.599 -0.027 1
1 55 . 3 1 1 A 6 6 GLU CB C 6 31.259 32.923 -1.664 1
1 57 . 3 1 1 A 6 6 GLU N N 6 127.826 124.419 3.407 1
1 58 . 3 1 1 A 7 7 PRO HA H 7 3.783 4.152 -0.369 1
1 65 . 3 1 1 A 7 7 PRO C C 7 177.433 177.311 0.122 1
1 66 . 3 1 1 A 7 7 PRO CA C 7 66.503 63.622 2.881 1
1 67 . 3 1 1 A 7 7 PRO CB C 7 31.785 31.236 0.549 1
1 70 . 3 1 1 A 8 8 GLY H H 8 7.537 8.347 -0.810 1
1 71 . 3 1 1 A 8 8 GLY HA2 H 8 3.896 3.111 0.785 1
1 72 . 3 1 1 A 8 8 GLY HA3 H 8 2.085 3.621 -1.536 1
1 73 . 3 1 1 A 8 8 GLY C C 8 174.730 172.885 1.845 1
1 74 . 3 1 1 A 8 8 GLY CA C 8 46.895 44.589 2.306 1
1 75 . 3 1 1 A 8 8 GLY N N 8 111.178 112.339 -1.161 1
1 76 . 3 1 1 A 9 9 HIS H H 9 9.112 7.418 1.694 1
1 77 . 3 1 1 A 9 9 HIS HA H 9 5.699 5.138 0.561 1
1 81 . 3 1 1 A 9 9 HIS C C 9 170.886 172.610 -1.724 1
1 82 . 3 1 1 A 9 9 HIS CA C 9 55.252 55.956 -0.704 1
1 83 . 3 1 1 A 9 9 HIS CB C 9 32.029 33.120 -1.091 1
1 85 . 3 1 1 A 9 9 HIS N N 9 122.719 119.015 3.704 1
1 86 . 3 1 1 A 10 10 LEU H H 10 9.637 9.072 0.565 1
1 87 . 3 1 1 A 10 10 LEU HA H 10 5.198 5.073 0.125 1
1 97 . 3 1 1 A 10 10 LEU C C 10 173.565 174.614 -1.049 1
1 98 . 3 1 1 A 10 10 LEU CA C 10 54.377 53.437 0.940 1
1 99 . 3 1 1 A 10 10 LEU CB C 10 46.916 44.427 2.489 1
1 103 . 3 1 1 A 10 10 LEU N N 10 130.516 130.108 0.408 1
1 104 . 3 1 1 A 11 11 HIS H H 11 9.237 9.028 0.209 1
1 105 . 3 1 1 A 11 11 HIS HA H 11 5.478 5.121 0.357 1
1 109 . 3 1 1 A 11 11 HIS C C 11 173.559 173.610 -0.051 1
1 110 . 3 1 1 A 11 11 HIS CA C 11 53.302 54.049 -0.747 1
1 111 . 3 1 1 A 11 11 HIS CB C 11 34.638 31.996 2.642 1
1 113 . 3 1 1 A 11 11 HIS N N 11 128.715 127.197 1.518 1
1 114 . 3 1 1 A 12 12 LEU H H 12 9.370 9.067 0.303 1
1 115 . 3 1 1 A 12 12 LEU HA H 12 4.863 5.083 -0.220 1
1 125 . 3 1 1 A 12 12 LEU CA C 12 54.243 53.662 0.581 1
1 126 . 3 1 1 A 12 12 LEU CB C 12 45.047 43.400 1.647 1
1 130 . 3 1 1 A 12 12 LEU N N 12 127.423 128.638 -1.215 1
1 131 . 3 1 1 A 13 13 VAL HA H 13 4.847 5.015 -0.168 1
1 139 . 3 1 1 A 13 13 VAL CA C 13 60.665 59.792 0.873 1
1 140 . 3 1 1 A 13 13 VAL CB C 13 35.978 35.815 0.163 1
1 143 . 3 1 1 A 14 14 SER H H 14 8.220 8.381 -0.161 1
1 144 . 3 1 1 A 14 14 SER HA H 14 4.563 5.017 -0.454 1
1 147 . 3 1 1 A 14 14 SER CA C 14 58.588 58.079 0.509 1
1 148 . 3 1 1 A 14 14 SER CB C 14 65.442 64.629 0.813 1
1 149 . 3 1 1 A 14 14 SER N N 14 118.092 119.747 -1.655 1
1 150 . 3 1 1 A 15 15 LEU H H 15 8.965 8.660 0.305 1
1 151 . 3 1 1 A 15 15 LEU HA H 15 4.725 5.178 -0.453 1
1 161 . 3 1 1 A 15 15 LEU CA C 15 53.203 51.993 1.210 1
1 162 . 3 1 1 A 15 15 LEU CB C 15 42.658 43.515 -0.857 1
1 166 . 3 1 1 A 15 15 LEU N N 15 124.969 118.934 6.035 1
1 167 . 3 1 1 A 16 16 PRO HA H 16 4.326 4.604 -0.278 1
1 174 . 3 1 1 A 16 16 PRO C C 16 177.551 177.414 0.137 1
1 175 . 3 1 1 A 16 16 PRO CA C 16 64.262 64.017 0.245 1
1 176 . 3 1 1 A 16 16 PRO CB C 16 32.855 31.473 1.382 1
1 179 . 3 1 1 A 17 17 GLY H H 17 8.597 8.493 0.104 1
1 180 . 3 1 1 A 17 17 GLY HA2 H 17 4.091 3.953 0.138 1
1 181 . 3 1 1 A 17 17 GLY HA3 H 17 3.773 3.961 -0.188 1
1 182 . 3 1 1 A 17 17 GLY C C 17 173.908 175.569 -1.661 1
1 183 . 3 1 1 A 17 17 GLY CA C 17 46.155 45.560 0.595 1
1 184 . 3 1 1 A 17 17 GLY N N 17 110.651 112.292 -1.641 1
1 185 . 3 1 1 A 18 18 LEU H H 18 7.998 7.886 0.112 1
1 186 . 3 1 1 A 18 18 LEU HA H 18 4.318 4.477 -0.159 1
1 192 . 3 1 1 A 18 18 LEU CA C 18 56.800 54.402 2.398 1
1 193 . 3 1 1 A 18 18 LEU CB C 18 43.502 42.295 1.207 1
1 195 . 3 1 1 A 18 18 LEU N N 18 122.006 121.131 0.875 1
1 196 . 3 1 1 A 19 19 ASP HA H 19 4.330 4.829 -0.499 1
1 199 . 3 1 1 A 19 19 ASP CA C 19 56.800 54.003 2.797 1
1 200 . 3 1 1 A 19 19 ASP CB C 19 43.498 44.806 -1.308 1
1 201 . 3 1 1 A 20 20 GLN HA H 20 4.248 4.667 -0.419 1
1 208 . 3 1 1 A 20 20 GLN CA C 20 56.991 55.221 1.770 1
1 209 . 3 1 1 A 20 20 GLN CB C 20 31.005 29.484 1.521 1
1 212 . 3 1 1 A 21 21 GLN H H 21 7.823 7.029 0.794 1
1 213 . 3 1 1 A 21 21 GLN HA H 21 4.478 4.788 -0.310 1
1 220 . 3 1 1 A 21 21 GLN C C 21 174.199 172.990 1.209 1
1 221 . 3 1 1 A 21 21 GLN CA C 21 56.424 54.976 1.448 1
1 222 . 3 1 1 A 21 21 GLN CB C 21 33.930 32.788 1.142 1
1 224 . 3 1 1 A 21 21 GLN N N 21 118.190 120.272 -2.082 1
1 226 . 3 1 1 A 22 22 ASP H H 22 8.549 8.950 -0.401 1
1 227 . 3 1 1 A 22 22 ASP HA H 22 4.708 4.909 -0.201 1
1 230 . 3 1 1 A 22 22 ASP C C 22 175.399 175.036 0.363 1
1 231 . 3 1 1 A 22 22 ASP CA C 22 54.415 52.907 1.508 1
1 232 . 3 1 1 A 22 22 ASP CB C 22 42.744 40.302 2.442 1
1 233 . 3 1 1 A 22 22 ASP N N 22 122.563 124.810 -2.247 1
1 234 . 3 1 1 A 23 23 ILE H H 23 8.681 8.158 0.523 1
1 235 . 3 1 1 A 23 23 ILE HA H 23 4.726 4.728 -0.002 1
1 245 . 3 1 1 A 23 23 ILE C C 23 174.896 175.531 -0.635 1
1 246 . 3 1 1 A 23 23 ILE CA C 23 60.384 60.159 0.225 1
1 247 . 3 1 1 A 23 23 ILE CB C 23 42.843 38.955 3.888 1
1 251 . 3 1 1 A 23 23 ILE N N 23 121.642 120.155 1.487 1
1 252 . 3 1 1 A 24 24 ASN H H 24 8.224 8.817 -0.593 1
1 253 . 3 1 1 A 24 24 ASN HA H 24 5.252 5.805 -0.553 1
1 258 . 3 1 1 A 24 24 ASN C C 24 174.672 173.777 0.895 1
1 259 . 3 1 1 A 24 24 ASN CA C 24 54.262 52.723 1.539 1
1 260 . 3 1 1 A 24 24 ASN CB C 24 40.495 40.903 -0.408 1
1 261 . 3 1 1 A 24 24 ASN N N 24 124.418 121.176 3.242 1
1 263 . 3 1 1 A 25 25 ILE H H 25 9.453 9.382 0.071 1
1 264 . 3 1 1 A 25 25 ILE HA H 25 4.896 4.968 -0.072 1
1 274 . 3 1 1 A 25 25 ILE C C 25 173.645 175.001 -1.356 1
1 275 . 3 1 1 A 25 25 ILE CA C 25 61.580 60.036 1.544 1
1 276 . 3 1 1 A 25 25 ILE CB C 25 44.146 41.815 2.331 1
1 280 . 3 1 1 A 25 25 ILE N N 25 122.056 125.075 -3.019 1
1 281 . 3 1 1 A 26 26 HIS H H 26 9.716 8.834 0.882 1
1 282 . 3 1 1 A 26 26 HIS HA H 26 5.404 5.358 0.046 1
1 286 . 3 1 1 A 26 26 HIS C C 26 175.078 174.368 0.710 1
1 287 . 3 1 1 A 26 26 HIS CA C 26 55.881 54.909 0.972 1
1 288 . 3 1 1 A 26 26 HIS CB C 26 32.829 31.180 1.649 1
1 290 . 3 1 1 A 26 26 HIS N N 26 126.720 125.025 1.695 1
1 291 . 3 1 1 A 27 27 ILE H H 27 9.935 9.329 0.606 1
1 292 . 3 1 1 A 27 27 ILE HA H 27 5.096 5.262 -0.166 1
1 302 . 3 1 1 A 27 27 ILE C C 27 174.860 174.241 0.619 1
1 303 . 3 1 1 A 27 27 ILE CA C 27 61.915 60.446 1.469 1
1 304 . 3 1 1 A 27 27 ILE CB C 27 40.667 39.324 1.343 1
1 308 . 3 1 1 A 27 27 ILE N N 27 123.352 124.771 -1.419 1
1 309 . 3 1 1 A 28 28 ARG H H 28 9.315 9.109 0.206 1
1 310 . 3 1 1 A 28 28 ARG HA H 28 5.621 5.217 0.404 1
1 317 . 3 1 1 A 28 28 ARG C C 28 175.573 174.371 1.202 1
1 318 . 3 1 1 A 28 28 ARG CA C 28 54.904 54.588 0.316 1
1 319 . 3 1 1 A 28 28 ARG CB C 28 33.782 33.168 0.614 1
1 322 . 3 1 1 A 28 28 ARG N N 28 127.731 129.856 -2.125 1
1 323 . 3 1 1 A 29 29 TYR H H 29 7.656 8.713 -1.057 1
1 324 . 3 1 1 A 29 29 TYR HA H 29 5.831 6.114 -0.283 1
1 331 . 3 1 1 A 29 29 TYR C C 29 173.770 174.852 -1.082 1
1 332 . 3 1 1 A 29 29 TYR CA C 29 55.377 55.327 0.050 1
1 333 . 3 1 1 A 29 29 TYR CB C 29 43.035 41.598 1.437 1
1 338 . 3 1 1 A 29 29 TYR N N 29 117.229 123.563 -6.334 1
1 339 . 3 1 1 A 30 30 GLU H H 30 8.323 8.586 -0.263 1
1 340 . 3 1 1 A 30 30 GLU HA H 30 4.381 4.785 -0.404 1
1 345 . 3 1 1 A 30 30 GLU C C 30 173.976 175.327 -1.351 1
1 346 . 3 1 1 A 30 30 GLU CA C 30 55.235 54.756 0.479 1
1 347 . 3 1 1 A 30 30 GLU CB C 30 34.494 32.331 2.163 1
1 349 . 3 1 1 A 30 30 GLU N N 30 117.003 121.819 -4.816 1
1 350 . 3 1 1 A 31 31 VAL H H 31 8.957 8.581 0.376 1
1 351 . 3 1 1 A 31 31 VAL HA H 31 4.262 4.096 0.166 1
1 359 . 3 1 1 A 31 31 VAL C C 31 175.045 175.766 -0.721 1
1 360 . 3 1 1 A 31 31 VAL CA C 31 63.418 62.711 0.707 1
1 361 . 3 1 1 A 31 31 VAL CB C 31 32.211 31.276 0.935 1
1 364 . 3 1 1 A 31 31 VAL N N 31 125.299 124.273 1.026 1
1 365 . 3 1 1 A 32 32 ARG H H 32 8.550 8.334 0.216 1
1 366 . 3 1 1 A 32 32 ARG HA H 32 4.408 4.755 -0.347 1
1 373 . 3 1 1 A 32 32 ARG C C 32 173.222 174.002 -0.780 1
1 374 . 3 1 1 A 32 32 ARG CA C 32 55.048 54.418 0.630 1
1 375 . 3 1 1 A 32 32 ARG CB C 32 34.646 34.163 0.483 1
1 378 . 3 1 1 A 32 32 ARG N N 32 128.345 127.130 1.215 1
1 379 . 3 1 1 A 33 33 GLN H H 33 8.148 8.619 -0.471 1
1 380 . 3 1 1 A 33 33 GLN HA H 33 4.697 5.251 -0.554 1
1 387 . 3 1 1 A 33 33 GLN C C 33 175.419 175.281 0.138 1
1 388 . 3 1 1 A 33 33 GLN CA C 33 55.943 54.665 1.278 1
1 389 . 3 1 1 A 33 33 GLN CB C 33 31.679 30.723 0.956 1
1 391 . 3 1 1 A 33 33 GLN N N 33 116.088 122.196 -6.108 1
1 393 . 3 1 1 A 34 34 ASN H H 34 8.323 8.818 -0.495 1
1 394 . 3 1 1 A 34 34 ASN HA H 34 4.825 5.246 -0.421 1
1 399 . 3 1 1 A 34 34 ASN CA C 34 53.468 51.714 1.754 1
1 400 . 3 1 1 A 34 34 ASN CB C 34 41.559 39.964 1.595 1
1 401 . 3 1 1 A 34 34 ASN N N 34 121.088 124.148 -3.060 1
1 403 . 3 1 1 A 35 35 ALA HA H 35 4.099 3.994 0.105 1
1 407 . 3 1 1 A 35 35 ALA C C 35 178.472 179.292 -0.820 1
1 408 . 3 1 1 A 35 35 ALA CA C 35 55.591 54.889 0.702 1
1 409 . 3 1 1 A 35 35 ALA CB C 35 19.600 18.169 1.431 1
1 410 . 3 1 1 A 36 36 GLU H H 36 8.362 8.067 0.295 1
1 411 . 3 1 1 A 36 36 GLU HA H 36 4.263 4.007 0.256 1
1 416 . 3 1 1 A 36 36 GLU C C 36 177.727 177.942 -0.215 1
1 417 . 3 1 1 A 36 36 GLU CA C 36 59.010 59.083 -0.073 1
1 418 . 3 1 1 A 36 36 GLU CB C 36 31.059 29.696 1.363 1
1 420 . 3 1 1 A 36 36 GLU N N 36 116.669 120.001 -3.332 1
1 421 . 3 1 1 A 37 37 SER H H 37 8.338 7.889 0.449 1
1 422 . 3 1 1 A 37 37 SER HA H 37 4.515 4.630 -0.115 1
1 425 . 3 1 1 A 37 37 SER C C 37 175.134 175.102 0.032 1
1 426 . 3 1 1 A 37 37 SER CA C 37 59.568 58.377 1.191 1
1 427 . 3 1 1 A 37 37 SER CB C 37 65.114 64.598 0.516 1
1 428 . 3 1 1 A 37 37 SER N N 37 111.971 112.301 -0.330 1
1 429 . 3 1 1 A 38 38 GLY H H 38 8.098 7.805 0.293 1
1 430 . 3 1 1 A 38 38 GLY HA2 H 38 4.294 4.026 0.268 1
1 431 . 3 1 1 A 38 38 GLY HA3 H 38 3.975 4.031 -0.056 1
1 432 . 3 1 1 A 38 38 GLY C C 38 173.759 173.816 -0.057 1
1 433 . 3 1 1 A 38 38 GLY CA C 38 45.904 45.526 0.378 1
1 434 . 3 1 1 A 38 38 GLY N N 38 111.508 108.756 2.752 1
1 435 . 3 1 1 A 39 39 ALA H H 39 8.450 8.093 0.357 1
1 436 . 3 1 1 A 39 39 ALA HA H 39 4.902 4.724 0.178 1
1 440 . 3 1 1 A 39 39 ALA C C 39 177.193 177.172 0.021 1
1 441 . 3 1 1 A 39 39 ALA CA C 39 52.880 52.031 0.849 1
1 442 . 3 1 1 A 39 39 ALA CB C 39 20.714 19.719 0.995 1
1 443 . 3 1 1 A 39 39 ALA N N 39 124.210 125.536 -1.326 1
1 444 . 3 1 1 A 40 40 TYR H H 40 8.854 8.510 0.344 1
1 445 . 3 1 1 A 40 40 TYR HA H 40 4.796 5.232 -0.436 1
1 452 . 3 1 1 A 40 40 TYR C C 40 171.595 172.460 -0.865 1
1 453 . 3 1 1 A 40 40 TYR CA C 40 56.552 56.025 0.527 1
1 454 . 3 1 1 A 40 40 TYR CB C 40 41.319 40.604 0.715 1
1 459 . 3 1 1 A 40 40 TYR N N 40 118.580 117.117 1.463 1
1 460 . 3 1 1 A 41 41 VAL H H 41 9.275 8.239 1.036 1
1 461 . 3 1 1 A 41 41 VAL HA H 41 4.430 4.466 -0.036 1
1 469 . 3 1 1 A 41 41 VAL C C 41 174.098 173.184 0.914 1
1 470 . 3 1 1 A 41 41 VAL CA C 41 61.566 60.346 1.220 1
1 471 . 3 1 1 A 41 41 VAL CB C 41 33.852 34.681 -0.829 1
1 474 . 3 1 1 A 41 41 VAL N N 41 118.445 119.052 -0.607 1
1 475 . 3 1 1 A 42 42 HIS H H 42 8.789 8.594 0.195 1
1 476 . 3 1 1 A 42 42 HIS HA H 42 4.814 4.882 -0.068 1
1 480 . 3 1 1 A 42 42 HIS C C 42 172.353 173.211 -0.858 1
1 481 . 3 1 1 A 42 42 HIS CA C 42 56.537 55.075 1.462 1
1 482 . 3 1 1 A 42 42 HIS CB C 42 31.587 31.956 -0.369 1
1 484 . 3 1 1 A 42 42 HIS N N 42 125.741 126.363 -0.622 1
1 485 . 3 1 1 A 43 43 PHE H H 43 8.604 8.676 -0.072 1
1 486 . 3 1 1 A 43 43 PHE HA H 43 4.933 5.005 -0.072 1
1 494 . 3 1 1 A 43 43 PHE C C 43 174.119 174.156 -0.037 1
1 495 . 3 1 1 A 43 43 PHE CA C 43 56.591 56.328 0.263 1
1 496 . 3 1 1 A 43 43 PHE CB C 43 41.053 41.797 -0.744 1
1 502 . 3 1 1 A 43 43 PHE N N 43 125.631 125.199 0.432 1
1 503 . 3 1 1 A 44 44 ASP H H 44 9.322 8.747 0.575 1
1 504 . 3 1 1 A 44 44 ASP HA H 44 5.187 5.442 -0.255 1
1 507 . 3 1 1 A 44 44 ASP C C 44 175.076 174.924 0.152 1
1 508 . 3 1 1 A 44 44 ASP CA C 44 55.145 53.139 2.006 1
1 509 . 3 1 1 A 44 44 ASP CB C 44 45.197 44.742 0.455 1
1 510 . 3 1 1 A 44 44 ASP N N 44 121.184 120.868 0.316 1
1 511 . 3 1 1 A 45 45 MET H H 45 9.110 8.821 0.289 1
1 512 . 3 1 1 A 45 45 MET HA H 45 5.765 5.949 -0.184 1
1 520 . 3 1 1 A 45 45 MET C C 45 173.254 174.388 -1.134 1
1 521 . 3 1 1 A 45 45 MET CA C 45 54.810 54.572 0.238 1
1 522 . 3 1 1 A 45 45 MET CB C 45 38.632 36.806 1.826 1
1 525 . 3 1 1 A 45 45 MET N N 45 121.976 121.554 0.422 1
1 526 . 3 1 1 A 46 46 ASP H H 46 8.763 8.615 0.148 1
1 527 . 3 1 1 A 46 46 ASP HA H 46 4.373 4.349 0.024 1
1 530 . 3 1 1 A 46 46 ASP C C 46 173.396 173.844 -0.448 1
1 531 . 3 1 1 A 46 46 ASP CA C 46 53.810 52.183 1.627 1
1 532 . 3 1 1 A 46 46 ASP CB C 46 44.722 43.399 1.323 1
1 533 . 3 1 1 A 46 46 ASP N N 46 121.797 122.246 -0.449 1
1 534 . 3 1 1 A 47 47 GLY H H 47 7.154 7.313 -0.159 1
1 535 . 3 1 1 A 47 47 GLY HA2 H 47 5.075 3.760 1.315 1
1 536 . 3 1 1 A 47 47 GLY HA3 H 47 3.927 3.897 0.030 1
1 537 . 3 1 1 A 47 47 GLY C C 47 172.328 171.846 0.482 1
1 538 . 3 1 1 A 47 47 GLY CA C 47 45.820 44.671 1.149 1
1 539 . 3 1 1 A 47 47 GLY N N 47 105.470 105.034 0.436 1
1 540 . 3 1 1 A 48 48 GLU H H 48 9.100 8.468 0.632 1
1 541 . 3 1 1 A 48 48 GLU HA H 48 5.257 5.651 -0.394 1
1 546 . 3 1 1 A 48 48 GLU C C 48 175.019 174.411 0.608 1
1 547 . 3 1 1 A 48 48 GLU CA C 48 56.247 55.074 1.173 1
1 548 . 3 1 1 A 48 48 GLU CB C 48 35.076 34.141 0.935 1
1 550 . 3 1 1 A 48 48 GLU N N 48 119.799 119.272 0.527 1
1 551 . 3 1 1 A 49 49 ILE H H 49 7.945 8.561 -0.616 1
1 552 . 3 1 1 A 49 49 ILE HA H 49 4.540 4.461 0.079 1
1 562 . 3 1 1 A 49 49 ILE C C 49 176.382 175.953 0.429 1
1 563 . 3 1 1 A 49 49 ILE CA C 49 61.321 60.525 0.796 1
1 564 . 3 1 1 A 49 49 ILE CB C 49 41.847 40.588 1.259 1
1 568 . 3 1 1 A 49 49 ILE N N 49 120.718 120.829 -0.111 1
1 569 . 3 1 1 A 50 50 ASP H H 50 10.048 9.495 0.553 1
1 570 . 3 1 1 A 50 50 ASP HA H 50 4.522 4.285 0.237 1
1 573 . 3 1 1 A 50 50 ASP C C 50 176.193 175.118 1.075 1
1 574 . 3 1 1 A 50 50 ASP CA C 50 56.872 55.138 1.734 1
1 575 . 3 1 1 A 50 50 ASP CB C 50 40.754 39.978 0.776 1
1 576 . 3 1 1 A 50 50 ASP N N 50 130.256 127.830 2.426 1
1 577 . 3 1 1 A 51 51 GLY H H 51 9.048 8.373 0.675 1
1 578 . 3 1 1 A 51 51 GLY HA2 H 51 4.126 3.944 0.182 1
1 579 . 3 1 1 A 51 51 GLY HA3 H 51 3.660 3.954 -0.294 1
1 580 . 3 1 1 A 51 51 GLY C C 51 173.935 174.413 -0.478 1
1 581 . 3 1 1 A 51 51 GLY CA C 51 46.194 45.228 0.966 1
1 582 . 3 1 1 A 51 51 GLY N N 51 103.446 104.485 -1.039 1
1 583 . 3 1 1 A 52 52 LYS H H 52 7.905 7.499 0.406 1
1 584 . 3 1 1 A 52 52 LYS HA H 52 5.014 4.635 0.379 1
1 593 . 3 1 1 A 52 52 LYS CA C 52 53.809 53.497 0.312 1
1 594 . 3 1 1 A 52 52 LYS CB C 52 33.788 32.971 0.817 1
1 598 . 3 1 1 A 52 52 LYS N N 52 122.692 121.423 1.269 1
1 599 . 3 1 1 A 53 53 PRO HA H 53 5.523 5.330 0.193 1
1 606 . 3 1 1 A 53 53 PRO C C 53 176.300 176.430 -0.130 1
1 607 . 3 1 1 A 53 53 PRO CA C 53 62.896 62.586 0.310 1
1 608 . 3 1 1 A 53 53 PRO CB C 53 33.920 33.004 0.916 1
1 611 . 3 1 1 A 54 54 PHE H H 54 8.643 8.450 0.193 1
1 612 . 3 1 1 A 54 54 PHE HA H 54 4.907 5.091 -0.184 1
1 620 . 3 1 1 A 54 54 PHE C C 54 172.840 172.814 0.026 1
1 621 . 3 1 1 A 54 54 PHE CA C 54 57.173 56.161 1.012 1
1 622 . 3 1 1 A 54 54 PHE CB C 54 43.620 41.222 2.398 1
1 628 . 3 1 1 A 54 54 PHE N N 54 117.436 117.569 -0.133 1
1 629 . 3 1 1 A 55 55 SER H H 55 8.009 8.873 -0.864 1
1 630 . 3 1 1 A 55 55 SER HA H 55 4.822 5.134 -0.312 1
1 633 . 3 1 1 A 55 55 SER C C 55 172.856 173.052 -0.196 1
1 634 . 3 1 1 A 55 55 SER CA C 55 58.238 57.124 1.114 1
1 635 . 3 1 1 A 55 55 SER CB C 55 66.163 65.336 0.827 1
1 636 . 3 1 1 A 55 55 SER N N 55 113.907 114.032 -0.125 1
1 637 . 3 1 1 A 56 56 ASP H H 56 9.593 9.066 0.527 1
1 638 . 3 1 1 A 56 56 ASP HA H 56 4.985 5.343 -0.358 1
1 641 . 3 1 1 A 56 56 ASP C C 56 175.049 174.499 0.550 1
1 642 . 3 1 1 A 56 56 ASP CA C 56 54.043 52.903 1.140 1
1 643 . 3 1 1 A 56 56 ASP CB C 56 46.425 45.358 1.067 1
1 644 . 3 1 1 A 56 56 ASP N N 56 125.145 125.486 -0.341 1
1 645 . 3 1 1 A 57 57 SER H H 57 10.207 8.673 1.534 1
1 646 . 3 1 1 A 57 57 SER HA H 57 5.383 5.333 0.050 1
1 649 . 3 1 1 A 57 57 SER C C 57 172.452 173.399 -0.947 1
1 650 . 3 1 1 A 57 57 SER CA C 57 59.008 57.094 1.914 1
1 651 . 3 1 1 A 57 57 SER CB C 57 67.802 66.281 1.521 1
1 652 . 3 1 1 A 57 57 SER N N 57 115.172 114.954 0.218 1
1 653 . 3 1 1 A 58 58 PHE H H 58 8.623 8.493 0.130 1
1 654 . 3 1 1 A 58 58 PHE HA H 58 4.904 5.646 -0.742 1
1 662 . 3 1 1 A 58 58 PHE C C 58 172.447 173.269 -0.822 1
1 663 . 3 1 1 A 58 58 PHE CA C 58 57.781 55.393 2.388 1
1 664 . 3 1 1 A 58 58 PHE CB C 58 40.736 43.292 -2.556 1
1 670 . 3 1 1 A 58 58 PHE N N 58 115.065 118.181 -3.116 1
1 671 . 3 1 1 A 59 59 GLU H H 59 8.721 8.926 -0.205 1
1 672 . 3 1 1 A 59 59 GLU HA H 59 5.595 5.279 0.316 1
1 677 . 3 1 1 A 59 59 GLU C C 59 175.836 175.329 0.507 1
1 678 . 3 1 1 A 59 59 GLU CA C 59 55.290 55.265 0.025 1
1 679 . 3 1 1 A 59 59 GLU CB C 59 34.345 32.705 1.640 1
1 681 . 3 1 1 A 59 59 GLU N N 59 118.122 119.158 -1.036 1
1 682 . 3 1 1 A 60 60 LEU H H 60 9.016 8.974 0.042 1
1 683 . 3 1 1 A 60 60 LEU HA H 60 5.221 4.955 0.266 1
1 693 . 3 1 1 A 60 60 LEU CA C 60 52.275 51.144 1.131 1
1 694 . 3 1 1 A 60 60 LEU CB C 60 46.774 45.648 1.126 1
1 698 . 3 1 1 A 60 60 LEU N N 60 121.299 125.452 -4.153 1
1 699 . 3 1 1 A 61 61 PRO HA H 61 4.614 4.668 -0.054 1
1 706 . 3 1 1 A 61 61 PRO C C 61 176.316 177.872 -1.556 1
1 707 . 3 1 1 A 61 61 PRO CA C 61 62.719 62.652 0.067 1
1 708 . 3 1 1 A 61 61 PRO CB C 61 33.758 32.602 1.156 1
1 711 . 3 1 1 A 62 62 ARG H H 62 8.017 8.676 -0.659 1
1 712 . 3 1 1 A 62 62 ARG HA H 62 3.738 3.906 -0.168 1
1 719 . 3 1 1 A 62 62 ARG C C 62 176.976 177.845 -0.869 1
1 720 . 3 1 1 A 62 62 ARG CA C 62 60.653 59.199 1.454 1
1 721 . 3 1 1 A 62 62 ARG CB C 62 31.549 29.698 1.851 1
1 724 . 3 1 1 A 62 62 ARG N N 62 118.159 122.899 -4.740 1
1 725 . 3 1 1 A 63 63 ASP H H 63 8.665 7.857 0.808 1
1 726 . 3 1 1 A 63 63 ASP HA H 63 4.484 4.513 -0.029 1
1 729 . 3 1 1 A 63 63 ASP C C 63 177.483 176.942 0.541 1
1 730 . 3 1 1 A 63 63 ASP CA C 63 57.335 56.466 0.869 1
1 731 . 3 1 1 A 63 63 ASP CB C 63 41.410 40.984 0.426 1
1 732 . 3 1 1 A 63 63 ASP N N 63 113.726 119.914 -6.188 1
1 733 . 3 1 1 A 64 64 THR H H 64 7.553 7.747 -0.194 1
1 734 . 3 1 1 A 64 64 THR HA H 64 4.562 4.750 -0.188 1
1 739 . 3 1 1 A 64 64 THR C C 64 175.654 175.337 0.317 1
1 740 . 3 1 1 A 64 64 THR CA C 64 61.499 60.785 0.714 1
1 741 . 3 1 1 A 64 64 THR CB C 64 69.606 69.618 -0.012 1
1 743 . 3 1 1 A 64 64 THR N N 64 107.855 106.320 1.535 1
1 744 . 3 1 1 A 65 65 ALA H H 65 7.406 7.423 -0.017 1
1 745 . 3 1 1 A 65 65 ALA HA H 65 4.012 4.171 -0.159 1
1 749 . 3 1 1 A 65 65 ALA C C 65 176.820 179.591 -2.771 1
1 750 . 3 1 1 A 65 65 ALA CA C 65 55.939 54.860 1.079 1
1 751 . 3 1 1 A 65 65 ALA CB C 65 19.454 17.971 1.483 1
1 752 . 3 1 1 A 65 65 ALA N N 65 123.777 125.805 -2.028 1
1 753 . 3 1 1 A 66 66 PHE H H 66 7.583 7.311 0.272 1
1 754 . 3 1 1 A 66 66 PHE HA H 66 4.381 4.590 -0.209 1
1 762 . 3 1 1 A 66 66 PHE C C 66 176.104 177.514 -1.410 1
1 763 . 3 1 1 A 66 66 PHE CA C 66 58.836 61.157 -2.321 1
1 764 . 3 1 1 A 66 66 PHE CB C 66 37.740 37.954 -0.214 1
1 770 . 3 1 1 A 66 66 PHE N N 66 110.346 115.932 -5.586 1
1 771 . 3 1 1 A 67 67 ASN H H 67 7.984 8.343 -0.359 1
1 772 . 3 1 1 A 67 67 ASN HA H 67 4.848 5.000 -0.152 1
1 777 . 3 1 1 A 67 67 ASN C C 67 175.700 177.020 -1.320 1
1 778 . 3 1 1 A 67 67 ASN CA C 67 53.469 54.296 -0.827 1
1 779 . 3 1 1 A 67 67 ASN CB C 67 38.836 38.609 0.227 1
1 780 . 3 1 1 A 67 67 ASN N N 67 120.591 118.876 1.715 1
1 782 . 3 1 1 A 68 68 PHE H H 68 7.218 7.961 -0.743 1
1 783 . 3 1 1 A 68 68 PHE HA H 68 4.054 4.380 -0.326 1
1 790 . 3 1 1 A 68 68 PHE C C 68 174.796 177.014 -2.218 1
1 791 . 3 1 1 A 68 68 PHE CA C 68 60.849 59.521 1.328 1
1 792 . 3 1 1 A 68 68 PHE CB C 68 40.263 36.938 3.325 1
1 797 . 3 1 1 A 68 68 PHE N N 68 115.915 118.964 -3.049 1
1 798 . 3 1 1 A 69 69 ALA H H 69 7.780 7.981 -0.201 1
1 799 . 3 1 1 A 69 69 ALA HA H 69 3.484 3.576 -0.092 1
1 803 . 3 1 1 A 69 69 ALA C C 69 180.022 179.777 0.245 1
1 804 . 3 1 1 A 69 69 ALA CA C 69 56.283 54.785 1.498 1
1 805 . 3 1 1 A 69 69 ALA CB C 69 18.935 18.140 0.795 1
1 806 . 3 1 1 A 69 69 ALA N N 69 124.604 123.903 0.701 1
1 807 . 3 1 1 A 70 70 SER H H 70 7.852 7.529 0.323 1
1 808 . 3 1 1 A 70 70 SER HA H 70 4.061 4.060 0.001 1
1 811 . 3 1 1 A 70 70 SER C C 70 177.054 176.259 0.795 1
1 812 . 3 1 1 A 70 70 SER CA C 70 62.085 61.626 0.459 1
1 813 . 3 1 1 A 70 70 SER CB C 70 62.976 63.115 -0.139 1
1 814 . 3 1 1 A 70 70 SER N N 70 114.973 114.069 0.904 1
1 815 . 3 1 1 A 71 71 ASP H H 71 7.602 7.854 -0.252 1
1 816 . 3 1 1 A 71 71 ASP HA H 71 4.012 4.156 -0.144 1
1 819 . 3 1 1 A 71 71 ASP C C 71 177.086 178.314 -1.228 1
1 820 . 3 1 1 A 71 71 ASP CA C 71 58.501 56.821 1.680 1
1 821 . 3 1 1 A 71 71 ASP CB C 71 42.006 40.271 1.735 1
1 822 . 3 1 1 A 71 71 ASP N N 71 123.211 122.255 0.956 1
1 823 . 3 1 1 A 72 72 ALA H H 72 8.406 8.118 0.288 1
1 824 . 3 1 1 A 72 72 ALA HA H 72 3.671 4.344 -0.673 1
1 828 . 3 1 1 A 72 72 ALA C C 72 179.377 179.738 -0.361 1
1 829 . 3 1 1 A 72 72 ALA CA C 72 55.717 55.160 0.557 1
1 830 . 3 1 1 A 72 72 ALA CB C 72 18.658 18.896 -0.238 1
1 831 . 3 1 1 A 72 72 ALA N N 72 119.793 122.102 -2.309 1
1 832 . 3 1 1 A 73 73 THR H H 73 7.631 7.853 -0.222 1
1 833 . 3 1 1 A 73 73 THR HA H 73 3.562 3.913 -0.351 1
1 838 . 3 1 1 A 73 73 THR C C 73 175.072 176.362 -1.290 1
1 839 . 3 1 1 A 73 73 THR CA C 73 68.525 66.041 2.484 1
1 840 . 3 1 1 A 73 73 THR CB C 73 69.564 68.083 1.481 1
1 842 . 3 1 1 A 73 73 THR N N 73 114.702 114.214 0.488 1
1 843 . 3 1 1 A 74 74 ARG H H 74 7.629 7.850 -0.221 1
1 844 . 3 1 1 A 74 74 ARG HA H 74 3.795 4.031 -0.236 1
1 851 . 3 1 1 A 74 74 ARG C C 74 176.832 178.778 -1.946 1
1 852 . 3 1 1 A 74 74 ARG CA C 74 60.580 58.549 2.031 1
1 853 . 3 1 1 A 74 74 ARG CB C 74 30.409 29.763 0.646 1
1 856 . 3 1 1 A 74 74 ARG N N 74 122.528 121.514 1.014 1
1 857 . 3 1 1 A 75 75 VAL H H 75 8.008 7.986 0.022 1
1 858 . 3 1 1 A 75 75 VAL HA H 75 3.439 3.593 -0.154 1
1 866 . 3 1 1 A 75 75 VAL C C 75 177.802 177.835 -0.033 1
1 867 . 3 1 1 A 75 75 VAL CA C 75 67.492 66.162 1.330 1
1 868 . 3 1 1 A 75 75 VAL CB C 75 32.220 31.241 0.979 1
1 871 . 3 1 1 A 75 75 VAL N N 75 120.044 119.571 0.473 1
1 872 . 3 1 1 A 76 76 ALA H H 76 8.092 7.795 0.297 1
1 873 . 3 1 1 A 76 76 ALA HA H 76 3.537 3.836 -0.299 1
1 877 . 3 1 1 A 76 76 ALA C C 76 180.078 179.994 0.084 1
1 878 . 3 1 1 A 76 76 ALA CA C 76 56.194 55.415 0.779 1
1 879 . 3 1 1 A 76 76 ALA CB C 76 18.882 18.072 0.810 1
1 880 . 3 1 1 A 76 76 ALA N N 76 120.726 122.158 -1.432 1
1 881 . 3 1 1 A 77 77 GLN H H 77 8.432 8.060 0.372 1
1 882 . 3 1 1 A 77 77 GLN HA H 77 4.428 3.942 0.486 1
1 885 . 3 1 1 A 77 77 GLN CA C 77 58.987 58.231 0.756 1
1 887 . 3 1 1 A 77 77 GLN N N 77 118.235 117.291 0.944 1
1 888 . 3 1 1 A 78 78 LYS H H 78 7.655 7.886 -0.231 1
1 889 . 3 1 1 A 78 78 LYS HA H 78 3.874 4.005 -0.131 1
1 898 . 3 1 1 A 78 78 LYS C C 78 177.044 177.789 -0.745 1
1 899 . 3 1 1 A 78 78 LYS CA C 78 59.393 58.870 0.523 1
1 900 . 3 1 1 A 78 78 LYS CB C 78 32.583 32.054 0.529 1
1 904 . 3 1 1 A 78 78 LYS N N 78 121.797 120.780 1.017 1
1 905 . 3 1 1 A 79 79 HIS H H 79 6.888 7.522 -0.634 1
1 906 . 3 1 1 A 79 79 HIS HA H 79 4.501 4.642 -0.141 1
1 909 . 3 1 1 A 79 79 HIS C C 79 174.191 175.192 -1.001 1
1 910 . 3 1 1 A 79 79 HIS CA C 79 56.166 55.443 0.723 1
1 911 . 3 1 1 A 79 79 HIS CB C 79 30.993 29.573 1.420 1
1 912 . 3 1 1 A 79 79 HIS N N 79 115.368 118.375 -3.007 1
1 913 . 3 1 1 A 80 80 GLY H H 80 7.159 7.431 -0.272 1
1 914 . 3 1 1 A 80 80 GLY HA2 H 80 4.433 3.550 0.883 1
1 915 . 3 1 1 A 80 80 GLY HA3 H 80 3.541 3.580 -0.039 1
1 916 . 3 1 1 A 80 80 GLY C C 80 175.246 174.770 0.476 1
1 917 . 3 1 1 A 80 80 GLY CA C 80 45.823 46.032 -0.209 1
1 918 . 3 1 1 A 80 80 GLY N N 80 104.319 107.443 -3.124 1
1 919 . 3 1 1 A 81 81 LEU H H 81 7.962 7.373 0.589 1
1 920 . 3 1 1 A 81 81 LEU HA H 81 4.012 4.003 0.009 1
1 930 . 3 1 1 A 81 81 LEU CA C 81 56.383 57.131 -0.748 1
1 931 . 3 1 1 A 81 81 LEU CB C 81 43.506 43.113 0.393 1
1 935 . 3 1 1 A 81 81 LEU N N 81 124.945 121.806 3.139 1
1 936 . 3 1 1 A 83 83 PRO HA H 83 4.248 4.575 -0.327 1
1 943 . 3 1 1 A 83 83 PRO CA C 83 65.606 62.774 2.832 1
1 944 . 3 1 1 A 83 83 PRO CB C 83 32.805 29.669 3.136 1
1 947 . 3 1 1 A 84 84 LYS HA H 84 4.132 4.003 0.129 1
1 956 . 3 1 1 A 84 84 LYS CA C 84 59.351 59.464 -0.113 1
1 957 . 3 1 1 A 84 84 LYS CB C 84 33.109 32.095 1.014 1
1 961 . 3 1 1 A 85 85 PHE HA H 85 3.941 4.242 -0.301 1
1 964 . 3 1 1 A 85 85 PHE CA C 85 59.693 60.031 -0.338 1
1 965 . 3 1 1 A 85 85 PHE CB C 85 39.968 38.334 1.634 1
1 966 . 3 1 1 A 86 86 GLY HA2 H 86 3.721 3.942 -0.221 1
1 967 . 3 1 1 A 86 86 GLY HA3 H 86 3.659 3.947 -0.288 1
1 968 . 3 1 1 A 86 86 GLY CA C 86 44.471 46.446 -1.975 1
1 969 . 3 1 1 A 87 87 ALA HA H 87 4.274 4.598 -0.324 1
1 973 . 3 1 1 A 87 87 ALA CA C 87 53.390 51.409 1.981 1
1 974 . 3 1 1 A 87 87 ALA CB C 87 20.262 19.902 0.360 1
1 975 . 3 1 1 A 88 88 ILE HA H 88 4.015 3.822 0.193 1
1 985 . 3 1 1 A 88 88 ILE CA C 88 63.697 63.139 0.558 1
1 986 . 3 1 1 A 88 88 ILE CB C 88 38.931 37.676 1.255 1
1 990 . 3 1 1 A 89 89 THR HA H 89 4.224 4.077 0.147 1
1 994 . 3 1 1 A 89 89 THR CA C 89 63.088 65.452 -2.364 1
1 996 . 3 1 1 A 90 90 ARG HA H 90 4.105 4.942 -0.837 1
1 1003 . 3 1 1 A 90 90 ARG CA C 90 58.412 54.617 3.795 1
1 1004 . 3 1 1 A 90 90 ARG CB C 90 30.907 31.981 -1.074 1
1 1007 . 3 1 1 A 91 91 VAL HA H 91 4.047 4.567 -0.520 1
1 1015 . 3 1 1 A 91 91 VAL C C 91 175.627 173.930 1.697 1
1 1016 . 3 1 1 A 91 91 VAL CA C 91 62.923 60.192 2.731 1
1 1017 . 3 1 1 A 91 91 VAL CB C 91 32.060 34.583 -2.523 1
1 1020 . 3 1 1 A 92 92 HIS HA H 92 4.567 4.632 -0.065 1
1 1023 . 3 1 1 A 92 92 HIS CA C 92 57.021 55.553 1.468 1
1 1024 . 3 1 1 A 92 92 HIS CB C 92 31.579 30.493 1.086 1
1 1025 . 3 1 1 A 93 93 LYS H H 93 8.490 8.739 -0.249 1
1 1026 . 3 1 1 A 93 93 LYS HA H 93 4.149 4.496 -0.347 1
1 1035 . 3 1 1 A 93 93 LYS CA C 93 58.472 55.143 3.329 1
1 1036 . 3 1 1 A 93 93 LYS CB C 93 32.632 33.449 -0.817 1
1 1040 . 3 1 1 A 93 93 LYS N N 93 123.001 123.030 -0.029 1
1 1041 . 3 1 1 A 94 94 GLU HA H 94 4.265 4.606 -0.341 1
1 1046 . 3 1 1 A 94 94 GLU CA C 94 57.682 56.444 1.238 1
1 1047 . 3 1 1 A 94 94 GLU CB C 94 30.952 29.727 1.225 1
1 1049 . 3 1 1 A 95 95 TYR HA H 95 4.205 4.197 0.008 1
1 1056 . 3 1 1 A 95 95 TYR C C 95 176.555 177.510 -0.955 1
1 1057 . 3 1 1 A 95 95 TYR CA C 95 60.582 61.056 -0.474 1
1 1058 . 3 1 1 A 95 95 TYR CB C 95 39.000 38.643 0.357 1
1 1063 . 3 1 1 A 96 96 ASP H H 96 8.104 8.302 -0.198 1
1 1064 . 3 1 1 A 96 96 ASP HA H 96 4.252 4.284 -0.032 1
1 1067 . 3 1 1 A 96 96 ASP CA C 96 58.583 57.164 1.419 1
1 1068 . 3 1 1 A 96 96 ASP CB C 96 41.058 40.088 0.970 1
1 1069 . 3 1 1 A 96 96 ASP N N 96 120.068 119.929 0.139 1
1 1070 . 3 1 1 A 97 97 ALA HA H 97 3.964 4.113 -0.149 1
1 1074 . 3 1 1 A 97 97 ALA C C 97 179.912 179.290 0.622 1
1 1075 . 3 1 1 A 97 97 ALA CA C 97 55.582 55.218 0.364 1
1 1076 . 3 1 1 A 97 97 ALA CB C 97 18.849 18.210 0.639 1
1 1077 . 3 1 1 A 98 98 MET H H 98 7.422 8.012 -0.590 1
1 1078 . 3 1 1 A 98 98 MET HA H 98 3.847 4.153 -0.306 1
1 1083 . 3 1 1 A 98 98 MET C C 98 177.185 178.206 -1.021 1
1 1084 . 3 1 1 A 98 98 MET CA C 98 59.943 58.354 1.589 1
1 1085 . 3 1 1 A 98 98 MET CB C 98 32.583 31.664 0.919 1
1 1087 . 3 1 1 A 98 98 MET N N 98 120.651 118.821 1.830 1
1 1088 . 3 1 1 A 99 99 PHE H H 99 8.652 8.560 0.092 1
1 1089 . 3 1 1 A 99 99 PHE HA H 99 4.150 3.883 0.267 1
1 1097 . 3 1 1 A 99 99 PHE C C 99 177.911 177.748 0.163 1
1 1098 . 3 1 1 A 99 99 PHE CA C 99 61.936 61.868 0.068 1
1 1099 . 3 1 1 A 99 99 PHE CB C 99 39.302 38.920 0.382 1
1 1105 . 3 1 1 A 99 99 PHE N N 99 119.857 120.403 -0.546 1
1 1106 . 3 1 1 A 100 100 GLU H H 100 8.232 8.273 -0.041 1
1 1107 . 3 1 1 A 100 100 GLU HA H 100 4.094 3.925 0.169 1
1 1112 . 3 1 1 A 100 100 GLU CA C 100 59.579 59.202 0.377 1
1 1113 . 3 1 1 A 100 100 GLU CB C 100 29.878 29.198 0.680 1
1 1115 . 3 1 1 A 100 100 GLU N N 100 117.666 117.750 -0.084 1
1 1116 . 3 1 1 A 101 101 ASP HA H 101 4.568 4.432 0.136 1
1 1119 . 3 1 1 A 101 101 ASP C C 101 177.667 178.711 -1.044 1
1 1120 . 3 1 1 A 101 101 ASP CA C 101 58.940 57.725 1.215 1
1 1121 . 3 1 1 A 101 101 ASP CB C 101 43.462 41.718 1.744 1
1 1122 . 3 1 1 A 102 102 ILE H H 102 8.370 8.137 0.233 1
1 1123 . 3 1 1 A 102 102 ILE HA H 102 3.319 3.798 -0.479 1
1 1133 . 3 1 1 A 102 102 ILE C C 102 177.347 178.534 -1.187 1
1 1134 . 3 1 1 A 102 102 ILE CA C 102 67.567 65.412 2.155 1
1 1135 . 3 1 1 A 102 102 ILE CB C 102 38.766 37.361 1.405 1
1 1139 . 3 1 1 A 102 102 ILE N N 102 118.449 119.363 -0.914 1
1 1140 . 3 1 1 A 103 103 ARG H H 103 8.450 8.101 0.349 1
1 1141 . 3 1 1 A 103 103 ARG HA H 103 3.834 4.199 -0.365 1
1 1148 . 3 1 1 A 103 103 ARG C C 103 178.760 178.319 0.441 1
1 1149 . 3 1 1 A 103 103 ARG CA C 103 61.318 58.516 2.802 1
1 1150 . 3 1 1 A 103 103 ARG CB C 103 30.978 29.547 1.431 1
1 1153 . 3 1 1 A 103 103 ARG N N 103 118.941 120.794 -1.853 1
1 1154 . 3 1 1 A 104 104 ALA H H 104 8.289 7.836 0.453 1
1 1155 . 3 1 1 A 104 104 ALA HA H 104 4.072 4.143 -0.071 1
1 1159 . 3 1 1 A 104 104 ALA C C 104 181.340 179.712 1.628 1
1 1160 . 3 1 1 A 104 104 ALA CA C 104 56.021 55.062 0.959 1
1 1161 . 3 1 1 A 104 104 ALA CB C 104 18.962 18.453 0.509 1
1 1162 . 3 1 1 A 104 104 ALA N N 104 121.028 122.118 -1.090 1
1 1163 . 3 1 1 A 105 105 LYS H H 105 8.231 7.828 0.403 1
1 1164 . 3 1 1 A 105 105 LYS HA H 105 4.013 4.049 -0.036 1
1 1173 . 3 1 1 A 105 105 LYS C C 105 179.414 179.079 0.335 1
1 1174 . 3 1 1 A 105 105 LYS CA C 105 60.025 59.137 0.888 1
1 1175 . 3 1 1 A 105 105 LYS CB C 105 34.341 32.097 2.244 1
1 1179 . 3 1 1 A 105 105 LYS N N 105 118.789 118.150 0.639 1
1 1180 . 3 1 1 A 106 106 LEU H H 106 8.289 8.389 -0.100 1
1 1181 . 3 1 1 A 106 106 LEU HA H 106 4.043 4.011 0.032 1
1 1191 . 3 1 1 A 106 106 LEU C C 106 178.091 178.555 -0.464 1
1 1192 . 3 1 1 A 106 106 LEU CA C 106 57.469 57.813 -0.344 1
1 1193 . 3 1 1 A 106 106 LEU CB C 106 43.248 41.269 1.979 1
1 1197 . 3 1 1 A 106 106 LEU N N 106 119.086 119.018 0.068 1
1 1198 . 3 1 1 A 107 107 HIS H H 107 7.861 7.806 0.055 1
1 1199 . 3 1 1 A 107 107 HIS HA H 107 4.428 4.412 0.016 1
1 1203 . 3 1 1 A 107 107 HIS C C 107 175.263 175.096 0.167 1
1 1204 . 3 1 1 A 107 107 HIS CA C 107 58.218 58.309 -0.091 1
1 1205 . 3 1 1 A 107 107 HIS CB C 107 30.819 30.203 0.616 1
1 1207 . 3 1 1 A 107 107 HIS N N 107 118.172 117.851 0.321 1
1 1208 . 3 1 1 A 108 108 ALA H H 108 7.505 7.657 -0.152 1
1 1209 . 3 1 1 A 108 108 ALA HA H 108 4.218 3.824 0.394 1
1 1213 . 3 1 1 A 108 108 ALA C C 108 179.374 175.827 3.547 1
1 1214 . 3 1 1 A 108 108 ALA CA C 108 53.303 54.407 -1.104 1
1 1215 . 3 1 1 A 108 108 ALA CB C 108 20.005 16.954 3.051 1
1 1216 . 3 1 1 A 108 108 ALA N N 108 121.363 120.457 0.906 1
1 1217 . 3 1 1 A 109 109 HIS H H 109 7.987 7.881 0.106 1
1 1218 . 3 1 1 A 109 109 HIS HA H 109 4.770 5.064 -0.294 1
1 1221 . 3 1 1 A 109 109 HIS CA C 109 55.217 53.676 1.541 1
1 1222 . 3 1 1 A 109 109 HIS CB C 109 31.250 32.990 -1.740 1
1 1223 . 3 1 1 A 109 109 HIS N N 109 120.133 116.495 3.638 1
1 1224 . 3 1 1 A 110 110 PRO HA H 110 4.368 4.673 -0.305 1
1 1231 . 3 1 1 A 110 110 PRO C C 110 177.350 175.849 1.501 1
1 1232 . 3 1 1 A 110 110 PRO CA C 110 64.430 62.706 1.724 1
1 1233 . 3 1 1 A 110 110 PRO CB C 110 32.912 30.481 2.431 1
1 1236 . 3 1 1 A 111 111 GLY H H 111 8.492 8.616 -0.124 1
1 1237 . 3 1 1 A 111 111 GLY HA2 H 111 3.925 4.148 -0.223 1
1 1238 . 3 1 1 A 111 111 GLY HA3 H 111 3.925 4.152 -0.227 1
1 1239 . 3 1 1 A 111 111 GLY C C 111 173.681 174.226 -0.545 1
1 1240 . 3 1 1 A 111 111 GLY CA C 111 45.831 45.084 0.747 1
1 1241 . 3 1 1 A 111 111 GLY N N 111 109.622 110.853 -1.231 1
1 1242 . 3 1 1 A 112 112 GLU H H 112 8.139 8.694 -0.555 1
1 1243 . 3 1 1 A 112 112 GLU HA H 112 4.573 4.517 0.056 1
1 1248 . 3 1 1 A 112 112 GLU CA C 112 55.099 55.365 -0.266 1
1 1249 . 3 1 1 A 112 112 GLU CB C 112 30.664 29.703 0.961 1
1 1251 . 3 1 1 A 112 112 GLU N N 112 121.771 124.615 -2.844 1
1 1252 . 3 1 1 A 113 113 PRO HA H 113 4.411 4.851 -0.440 1
1 1259 . 3 1 1 A 113 113 PRO C C 113 176.943 176.084 0.859 1
1 1260 . 3 1 1 A 113 113 PRO CA C 113 63.990 62.269 1.721 1
1 1261 . 3 1 1 A 113 113 PRO CB C 113 32.817 31.591 1.226 1
1 1264 . 3 1 1 A 114 114 VAL H H 114 8.226 8.269 -0.043 1
1 1265 . 3 1 1 A 114 114 VAL HA H 114 4.036 4.180 -0.144 1
1 1273 . 3 1 1 A 114 114 VAL C C 114 175.708 176.482 -0.774 1
1 1274 . 3 1 1 A 114 114 VAL CA C 114 63.021 62.547 0.474 1
1 1275 . 3 1 1 A 114 114 VAL CB C 114 33.996 32.162 1.834 1
1 1278 . 3 1 1 A 114 114 VAL N N 114 120.138 121.718 -1.580 1
1 1279 . 3 1 1 A 115 115 ASP H H 115 8.313 9.035 -0.722 1
1 1280 . 3 1 1 A 115 115 ASP HA H 115 4.587 4.815 -0.228 1
1 1283 . 3 1 1 A 115 115 ASP C C 115 176.361 177.184 -0.823 1
1 1284 . 3 1 1 A 115 115 ASP CA C 115 54.760 53.599 1.161 1
1 1285 . 3 1 1 A 115 115 ASP CB C 115 41.888 40.513 1.375 1
1 1286 . 3 1 1 A 115 115 ASP N N 115 123.840 130.033 -6.193 1
1 1287 . 3 1 1 A 116 116 LEU H H 116 8.202 7.989 0.213 1
1 1288 . 3 1 1 A 116 116 LEU HA H 116 4.168 3.900 0.268 1
1 1298 . 3 1 1 A 116 116 LEU C C 116 177.811 178.866 -1.055 1
1 1299 . 3 1 1 A 116 116 LEU CA C 116 56.696 57.747 -1.051 1
1 1300 . 3 1 1 A 116 116 LEU CB C 116 43.084 41.146 1.938 1
1 1304 . 3 1 1 A 116 116 LEU N N 116 123.362 118.948 4.414 1
1 1305 . 3 1 1 A 117 117 GLU H H 117 8.311 8.227 0.084 1
1 1306 . 3 1 1 A 117 117 GLU HA H 117 4.141 4.065 0.076 1
1 1311 . 3 1 1 A 117 117 GLU C C 117 176.687 178.470 -1.783 1
1 1312 . 3 1 1 A 117 117 GLU CA C 117 57.937 58.724 -0.787 1
1 1313 . 3 1 1 A 117 117 GLU CB C 117 30.685 29.634 1.051 1
1 1315 . 3 1 1 A 117 117 GLU N N 117 119.881 118.848 1.033 1
1 1316 . 3 1 1 A 118 118 ARG H H 118 7.930 7.768 0.162 1
1 1317 . 3 1 1 A 118 118 ARG HA H 118 4.223 4.160 0.063 1
1 1324 . 3 1 1 A 118 118 ARG C C 118 176.125 176.755 -0.630 1
1 1325 . 3 1 1 A 118 118 ARG CA C 118 57.133 58.496 -1.363 1
1 1326 . 3 1 1 A 118 118 ARG CB C 118 31.445 30.218 1.227 1
1 1329 . 3 1 1 A 118 118 ARG N N 118 120.580 119.310 1.270 1
1 1330 . 3 1 1 A 119 119 ILE H H 119 7.926 7.304 0.622 1
1 1331 . 3 1 1 A 119 119 ILE HA H 119 4.041 4.271 -0.230 1
1 1341 . 3 1 1 A 119 119 ILE C C 119 176.166 175.803 0.363 1
1 1342 . 3 1 1 A 119 119 ILE CA C 119 62.131 60.447 1.684 1
1 1343 . 3 1 1 A 119 119 ILE CB C 119 39.327 35.715 3.612 1
1 1347 . 3 1 1 A 119 119 ILE N N 119 121.721 117.116 4.605 1
1 1348 . 3 1 1 A 120 120 ILE H H 120 8.152 8.353 -0.201 1
1 1349 . 3 1 1 A 120 120 ILE HA H 120 4.038 3.840 0.198 1
1 1359 . 3 1 1 A 120 120 ILE C C 120 175.922 175.677 0.245 1
1 1360 . 3 1 1 A 120 120 ILE CA C 120 61.812 63.149 -1.337 1
1 1361 . 3 1 1 A 120 120 ILE CB C 120 39.091 36.305 2.786 1
1 1365 . 3 1 1 A 120 120 ILE N N 120 125.274 123.248 2.026 1
1 1366 . 3 1 1 A 121 121 ARG H H 121 8.266 8.031 0.235 1
1 1367 . 3 1 1 A 121 121 ARG HA H 121 4.293 4.199 0.094 1
1 1374 . 3 1 1 A 121 121 ARG CA C 121 56.489 59.202 -2.713 1
1 1375 . 3 1 1 A 121 121 ARG CB C 121 31.785 30.525 1.260 1
1 1378 . 3 1 1 A 121 121 ARG N N 121 125.412 121.408 4.004 1
1 1379 . 3 1 1 A 122 122 HIS HA H 122 5.066 5.104 -0.038 1
1 1383 . 3 1 1 A 122 122 HIS C C 122 175.210 174.899 0.311 1
1 1384 . 3 1 1 A 122 122 HIS CA C 122 56.554 55.081 1.473 1
1 1385 . 3 1 1 A 122 122 HIS CB C 122 32.905 32.770 0.135 1
1 1387 . 3 1 1 A 123 123 GLU H H 123 8.936 8.556 0.380 1
1 1388 . 3 1 1 A 123 123 GLU N N 123 121.008 118.118 2.890 1
1 1389 . 3 1 1 A 124 124 GLY HA2 H 124 3.984 3.825 0.159 1
1 1390 . 3 1 1 A 124 124 GLY HA3 H 124 3.913 3.838 0.075 1
1 1391 . 3 1 1 A 124 124 GLY C C 124 173.408 174.085 -0.677 1
1 1392 . 3 1 1 A 124 124 GLY CA C 124 46.124 47.419 -1.295 1
1 10 . 4 1 1 A 2 2 GLY H H 2 8.402 8.532 -0.130 1
1 11 . 4 1 1 A 2 2 GLY HA2 H 2 3.903 3.923 -0.020 1
1 12 . 4 1 1 A 2 2 GLY HA3 H 2 3.903 4.065 -0.162 1
1 13 . 4 1 1 A 2 2 GLY C C 2 172.919 173.893 -0.974 1
1 14 . 4 1 1 A 2 2 GLY CA C 2 45.814 44.249 1.565 1
1 15 . 4 1 1 A 2 2 GLY N N 2 110.769 108.765 2.004 1
1 16 . 4 1 1 A 3 3 HIS H H 3 8.198 8.485 -0.287 1
1 17 . 4 1 1 A 3 3 HIS N N 3 120.514 118.000 2.514 1
1 18 . 4 1 1 A 4 4 MET HA H 4 4.688 4.528 0.160 1
1 26 . 4 1 1 A 4 4 MET CA C 4 56.462 54.655 1.807 1
1 27 . 4 1 1 A 4 4 MET CB C 4 35.293 32.491 2.802 1
1 30 . 4 1 1 A 5 5 PHE H H 5 8.690 8.599 0.091 1
1 31 . 4 1 1 A 5 5 PHE HA H 5 5.254 5.361 -0.107 1
1 39 . 4 1 1 A 5 5 PHE C C 5 173.490 173.610 -0.120 1
1 40 . 4 1 1 A 5 5 PHE CA C 5 58.548 56.766 1.782 1
1 41 . 4 1 1 A 5 5 PHE CB C 5 43.312 42.649 0.663 1
1 47 . 4 1 1 A 5 5 PHE N N 5 123.462 125.783 -2.321 1
1 48 . 4 1 1 A 6 6 GLU H H 6 7.963 8.837 -0.874 1
1 49 . 4 1 1 A 6 6 GLU HA H 6 4.182 4.670 -0.488 1
1 54 . 4 1 1 A 6 6 GLU CA C 6 53.572 53.611 -0.039 1
1 55 . 4 1 1 A 6 6 GLU CB C 6 31.259 33.005 -1.746 1
1 57 . 4 1 1 A 6 6 GLU N N 6 127.826 124.867 2.959 1
1 58 . 4 1 1 A 7 7 PRO HA H 7 3.783 4.400 -0.617 1
1 65 . 4 1 1 A 7 7 PRO C C 7 177.433 177.237 0.196 1
1 66 . 4 1 1 A 7 7 PRO CA C 7 66.503 63.607 2.896 1
1 67 . 4 1 1 A 7 7 PRO CB C 7 31.785 31.225 0.560 1
1 70 . 4 1 1 A 8 8 GLY H H 8 7.537 8.139 -0.602 1
1 71 . 4 1 1 A 8 8 GLY HA2 H 8 3.896 3.342 0.554 1
1 72 . 4 1 1 A 8 8 GLY HA3 H 8 2.085 3.699 -1.614 1
1 73 . 4 1 1 A 8 8 GLY C C 8 174.730 173.004 1.726 1
1 74 . 4 1 1 A 8 8 GLY CA C 8 46.895 44.731 2.164 1
1 75 . 4 1 1 A 8 8 GLY N N 8 111.178 112.288 -1.110 1
1 76 . 4 1 1 A 9 9 HIS H H 9 9.112 7.437 1.675 1
1 77 . 4 1 1 A 9 9 HIS HA H 9 5.699 5.087 0.612 1
1 81 . 4 1 1 A 9 9 HIS C C 9 170.886 172.833 -1.947 1
1 82 . 4 1 1 A 9 9 HIS CA C 9 55.252 56.004 -0.752 1
1 83 . 4 1 1 A 9 9 HIS CB C 9 32.029 33.290 -1.261 1
1 85 . 4 1 1 A 9 9 HIS N N 9 122.719 119.330 3.389 1
1 86 . 4 1 1 A 10 10 LEU H H 10 9.637 9.115 0.522 1
1 87 . 4 1 1 A 10 10 LEU HA H 10 5.198 5.182 0.016 1
1 97 . 4 1 1 A 10 10 LEU C C 10 173.565 173.596 -0.031 1
1 98 . 4 1 1 A 10 10 LEU CA C 10 54.377 53.584 0.793 1
1 99 . 4 1 1 A 10 10 LEU CB C 10 46.916 46.287 0.629 1
1 103 . 4 1 1 A 10 10 LEU N N 10 130.516 127.958 2.558 1
1 104 . 4 1 1 A 11 11 HIS H H 11 9.237 9.041 0.196 1
1 105 . 4 1 1 A 11 11 HIS HA H 11 5.478 5.426 0.052 1
1 109 . 4 1 1 A 11 11 HIS C C 11 173.559 173.563 -0.004 1
1 110 . 4 1 1 A 11 11 HIS CA C 11 53.302 53.521 -0.219 1
1 111 . 4 1 1 A 11 11 HIS CB C 11 34.638 31.958 2.680 1
1 113 . 4 1 1 A 11 11 HIS N N 11 128.715 125.967 2.748 1
1 114 . 4 1 1 A 12 12 LEU H H 12 9.370 9.143 0.227 1
1 115 . 4 1 1 A 12 12 LEU HA H 12 4.863 4.712 0.151 1
1 125 . 4 1 1 A 12 12 LEU CA C 12 54.243 53.888 0.355 1
1 126 . 4 1 1 A 12 12 LEU CB C 12 45.047 43.158 1.889 1
1 130 . 4 1 1 A 12 12 LEU N N 12 127.423 128.176 -0.753 1
1 131 . 4 1 1 A 13 13 VAL HA H 13 4.847 5.235 -0.388 1
1 139 . 4 1 1 A 13 13 VAL CA C 13 60.665 58.685 1.980 1
1 140 . 4 1 1 A 13 13 VAL CB C 13 35.978 35.320 0.658 1
1 143 . 4 1 1 A 14 14 SER H H 14 8.220 8.354 -0.134 1
1 144 . 4 1 1 A 14 14 SER HA H 14 4.563 4.622 -0.059 1
1 147 . 4 1 1 A 14 14 SER CA C 14 58.588 57.888 0.700 1
1 148 . 4 1 1 A 14 14 SER CB C 14 65.442 65.251 0.191 1
1 149 . 4 1 1 A 14 14 SER N N 14 118.092 116.714 1.378 1
1 150 . 4 1 1 A 15 15 LEU H H 15 8.965 8.209 0.756 1
1 151 . 4 1 1 A 15 15 LEU HA H 15 4.725 4.356 0.369 1
1 161 . 4 1 1 A 15 15 LEU CA C 15 53.203 53.511 -0.308 1
1 162 . 4 1 1 A 15 15 LEU CB C 15 42.658 42.039 0.619 1
1 166 . 4 1 1 A 15 15 LEU N N 15 124.969 119.142 5.827 1
1 167 . 4 1 1 A 16 16 PRO HA H 16 4.326 4.628 -0.302 1
1 174 . 4 1 1 A 16 16 PRO C C 16 177.551 177.164 0.387 1
1 175 . 4 1 1 A 16 16 PRO CA C 16 64.262 62.852 1.410 1
1 176 . 4 1 1 A 16 16 PRO CB C 16 32.855 32.038 0.817 1
1 179 . 4 1 1 A 17 17 GLY H H 17 8.597 8.834 -0.237 1
1 180 . 4 1 1 A 17 17 GLY HA2 H 17 4.091 3.924 0.167 1
1 181 . 4 1 1 A 17 17 GLY HA3 H 17 3.773 3.926 -0.153 1
1 182 . 4 1 1 A 17 17 GLY C C 17 173.908 175.169 -1.261 1
1 183 . 4 1 1 A 17 17 GLY CA C 17 46.155 47.114 -0.959 1
1 184 . 4 1 1 A 17 17 GLY N N 17 110.651 108.211 2.440 1
1 185 . 4 1 1 A 18 18 LEU H H 18 7.998 8.660 -0.662 1
1 186 . 4 1 1 A 18 18 LEU HA H 18 4.318 4.114 0.204 1
1 192 . 4 1 1 A 18 18 LEU CA C 18 56.800 57.195 -0.395 1
1 193 . 4 1 1 A 18 18 LEU CB C 18 43.502 42.367 1.135 1
1 195 . 4 1 1 A 18 18 LEU N N 18 122.006 127.121 -5.115 1
1 196 . 4 1 1 A 19 19 ASP HA H 19 4.330 4.361 -0.031 1
1 199 . 4 1 1 A 19 19 ASP CA C 19 56.800 54.901 1.899 1
1 200 . 4 1 1 A 19 19 ASP CB C 19 43.498 39.029 4.469 1
1 201 . 4 1 1 A 20 20 GLN HA H 20 4.248 4.098 0.150 1
1 208 . 4 1 1 A 20 20 GLN CA C 20 56.991 58.196 -1.205 1
1 209 . 4 1 1 A 20 20 GLN CB C 20 31.005 29.092 1.913 1
1 212 . 4 1 1 A 21 21 GLN H H 21 7.823 7.629 0.194 1
1 213 . 4 1 1 A 21 21 GLN HA H 21 4.478 4.710 -0.232 1
1 220 . 4 1 1 A 21 21 GLN C C 21 174.199 172.547 1.652 1
1 221 . 4 1 1 A 21 21 GLN CA C 21 56.424 54.962 1.462 1
1 222 . 4 1 1 A 21 21 GLN CB C 21 33.930 32.196 1.734 1
1 224 . 4 1 1 A 21 21 GLN N N 21 118.190 117.179 1.011 1
1 226 . 4 1 1 A 22 22 ASP H H 22 8.549 8.986 -0.437 1
1 227 . 4 1 1 A 22 22 ASP HA H 22 4.708 5.341 -0.633 1
1 230 . 4 1 1 A 22 22 ASP C C 22 175.399 174.794 0.605 1
1 231 . 4 1 1 A 22 22 ASP CA C 22 54.415 53.004 1.411 1
1 232 . 4 1 1 A 22 22 ASP CB C 22 42.744 42.304 0.440 1
1 233 . 4 1 1 A 22 22 ASP N N 22 122.563 123.482 -0.919 1
1 234 . 4 1 1 A 23 23 ILE H H 23 8.681 8.911 -0.230 1
1 235 . 4 1 1 A 23 23 ILE HA H 23 4.726 5.076 -0.350 1
1 245 . 4 1 1 A 23 23 ILE C C 23 174.896 174.591 0.305 1
1 246 . 4 1 1 A 23 23 ILE CA C 23 60.384 59.114 1.270 1
1 247 . 4 1 1 A 23 23 ILE CB C 23 42.843 40.544 2.299 1
1 251 . 4 1 1 A 23 23 ILE N N 23 121.642 121.828 -0.186 1
1 252 . 4 1 1 A 24 24 ASN H H 24 8.224 8.807 -0.583 1
1 253 . 4 1 1 A 24 24 ASN HA H 24 5.252 5.782 -0.530 1
1 258 . 4 1 1 A 24 24 ASN C C 24 174.672 174.052 0.620 1
1 259 . 4 1 1 A 24 24 ASN CA C 24 54.262 52.287 1.975 1
1 260 . 4 1 1 A 24 24 ASN CB C 24 40.495 41.103 -0.608 1
1 261 . 4 1 1 A 24 24 ASN N N 24 124.418 120.723 3.695 1
1 263 . 4 1 1 A 25 25 ILE H H 25 9.453 9.353 0.100 1
1 264 . 4 1 1 A 25 25 ILE HA H 25 4.896 5.016 -0.120 1
1 274 . 4 1 1 A 25 25 ILE C C 25 173.645 175.018 -1.373 1
1 275 . 4 1 1 A 25 25 ILE CA C 25 61.580 60.233 1.347 1
1 276 . 4 1 1 A 25 25 ILE CB C 25 44.146 42.511 1.635 1
1 280 . 4 1 1 A 25 25 ILE N N 25 122.056 124.155 -2.099 1
1 281 . 4 1 1 A 26 26 HIS H H 26 9.716 8.815 0.901 1
1 282 . 4 1 1 A 26 26 HIS HA H 26 5.404 5.307 0.097 1
1 286 . 4 1 1 A 26 26 HIS C C 26 175.078 174.310 0.768 1
1 287 . 4 1 1 A 26 26 HIS CA C 26 55.881 54.835 1.046 1
1 288 . 4 1 1 A 26 26 HIS CB C 26 32.829 31.098 1.731 1
1 290 . 4 1 1 A 26 26 HIS N N 26 126.720 125.449 1.271 1
1 291 . 4 1 1 A 27 27 ILE H H 27 9.935 9.396 0.539 1
1 292 . 4 1 1 A 27 27 ILE HA H 27 5.096 5.104 -0.008 1
1 302 . 4 1 1 A 27 27 ILE C C 27 174.860 174.876 -0.016 1
1 303 . 4 1 1 A 27 27 ILE CA C 27 61.915 60.303 1.612 1
1 304 . 4 1 1 A 27 27 ILE CB C 27 40.667 39.884 0.783 1
1 308 . 4 1 1 A 27 27 ILE N N 27 123.352 124.688 -1.336 1
1 309 . 4 1 1 A 28 28 ARG H H 28 9.315 9.212 0.103 1
1 310 . 4 1 1 A 28 28 ARG HA H 28 5.621 5.059 0.562 1
1 317 . 4 1 1 A 28 28 ARG C C 28 175.573 174.792 0.781 1
1 318 . 4 1 1 A 28 28 ARG CA C 28 54.904 54.928 -0.024 1
1 319 . 4 1 1 A 28 28 ARG CB C 28 33.782 32.401 1.381 1
1 322 . 4 1 1 A 28 28 ARG N N 28 127.731 127.546 0.185 1
1 323 . 4 1 1 A 29 29 TYR H H 29 7.656 8.616 -0.960 1
1 324 . 4 1 1 A 29 29 TYR HA H 29 5.831 5.623 0.208 1
1 331 . 4 1 1 A 29 29 TYR C C 29 173.770 174.942 -1.172 1
1 332 . 4 1 1 A 29 29 TYR CA C 29 55.377 55.690 -0.313 1
1 333 . 4 1 1 A 29 29 TYR CB C 29 43.035 40.748 2.287 1
1 338 . 4 1 1 A 29 29 TYR N N 29 117.229 121.250 -4.021 1
1 339 . 4 1 1 A 30 30 GLU H H 30 8.323 8.591 -0.268 1
1 340 . 4 1 1 A 30 30 GLU HA H 30 4.381 4.696 -0.315 1
1 345 . 4 1 1 A 30 30 GLU C C 30 173.976 175.239 -1.263 1
1 346 . 4 1 1 A 30 30 GLU CA C 30 55.235 55.120 0.115 1
1 347 . 4 1 1 A 30 30 GLU CB C 30 34.494 31.810 2.684 1
1 349 . 4 1 1 A 30 30 GLU N N 30 117.003 125.024 -8.021 1
1 350 . 4 1 1 A 31 31 VAL H H 31 8.957 8.473 0.484 1
1 351 . 4 1 1 A 31 31 VAL HA H 31 4.262 4.217 0.045 1
1 359 . 4 1 1 A 31 31 VAL C C 31 175.045 174.910 0.135 1
1 360 . 4 1 1 A 31 31 VAL CA C 31 63.418 62.119 1.299 1
1 361 . 4 1 1 A 31 31 VAL CB C 31 32.211 31.195 1.016 1
1 364 . 4 1 1 A 31 31 VAL N N 31 125.299 125.648 -0.349 1
1 365 . 4 1 1 A 32 32 ARG H H 32 8.550 8.563 -0.013 1
1 366 . 4 1 1 A 32 32 ARG HA H 32 4.408 4.922 -0.514 1
1 373 . 4 1 1 A 32 32 ARG C C 32 173.222 174.228 -1.006 1
1 374 . 4 1 1 A 32 32 ARG CA C 32 55.048 53.742 1.306 1
1 375 . 4 1 1 A 32 32 ARG CB C 32 34.646 33.792 0.854 1
1 378 . 4 1 1 A 32 32 ARG N N 32 128.345 128.347 -0.002 1
1 379 . 4 1 1 A 33 33 GLN H H 33 8.148 8.565 -0.417 1
1 380 . 4 1 1 A 33 33 GLN HA H 33 4.697 4.828 -0.131 1
1 387 . 4 1 1 A 33 33 GLN C C 33 175.419 175.487 -0.068 1
1 388 . 4 1 1 A 33 33 GLN CA C 33 55.943 54.802 1.141 1
1 389 . 4 1 1 A 33 33 GLN CB C 33 31.679 29.918 1.761 1
1 391 . 4 1 1 A 33 33 GLN N N 33 116.088 123.978 -7.890 1
1 393 . 4 1 1 A 34 34 ASN H H 34 8.323 8.952 -0.629 1
1 394 . 4 1 1 A 34 34 ASN HA H 34 4.825 5.333 -0.508 1
1 399 . 4 1 1 A 34 34 ASN CA C 34 53.468 52.251 1.217 1
1 400 . 4 1 1 A 34 34 ASN CB C 34 41.559 39.886 1.673 1
1 401 . 4 1 1 A 34 34 ASN N N 34 121.088 124.677 -3.589 1
1 403 . 4 1 1 A 35 35 ALA HA H 35 4.099 4.056 0.043 1
1 407 . 4 1 1 A 35 35 ALA C C 35 178.472 179.214 -0.742 1
1 408 . 4 1 1 A 35 35 ALA CA C 35 55.591 54.444 1.147 1
1 409 . 4 1 1 A 35 35 ALA CB C 35 19.600 18.534 1.066 1
1 410 . 4 1 1 A 36 36 GLU H H 36 8.362 8.014 0.348 1
1 411 . 4 1 1 A 36 36 GLU HA H 36 4.263 4.094 0.169 1
1 416 . 4 1 1 A 36 36 GLU C C 36 177.727 177.882 -0.155 1
1 417 . 4 1 1 A 36 36 GLU CA C 36 59.010 58.942 0.068 1
1 418 . 4 1 1 A 36 36 GLU CB C 36 31.059 30.233 0.826 1
1 420 . 4 1 1 A 36 36 GLU N N 36 116.669 119.473 -2.804 1
1 421 . 4 1 1 A 37 37 SER H H 37 8.338 8.121 0.217 1
1 422 . 4 1 1 A 37 37 SER HA H 37 4.515 4.707 -0.192 1
1 425 . 4 1 1 A 37 37 SER C C 37 175.134 174.526 0.608 1
1 426 . 4 1 1 A 37 37 SER CA C 37 59.568 58.280 1.288 1
1 427 . 4 1 1 A 37 37 SER CB C 37 65.114 64.688 0.426 1
1 428 . 4 1 1 A 37 37 SER N N 37 111.971 112.817 -0.846 1
1 429 . 4 1 1 A 38 38 GLY H H 38 8.098 7.783 0.315 1
1 430 . 4 1 1 A 38 38 GLY HA2 H 38 4.294 4.063 0.231 1
1 431 . 4 1 1 A 38 38 GLY HA3 H 38 3.975 4.067 -0.092 1
1 432 . 4 1 1 A 38 38 GLY C C 38 173.759 173.642 0.117 1
1 433 . 4 1 1 A 38 38 GLY CA C 38 45.904 44.576 1.328 1
1 434 . 4 1 1 A 38 38 GLY N N 38 111.508 109.373 2.135 1
1 435 . 4 1 1 A 39 39 ALA H H 39 8.450 8.064 0.386 1
1 436 . 4 1 1 A 39 39 ALA HA H 39 4.902 4.506 0.396 1
1 440 . 4 1 1 A 39 39 ALA C C 39 177.193 177.220 -0.027 1
1 441 . 4 1 1 A 39 39 ALA CA C 39 52.880 52.166 0.714 1
1 442 . 4 1 1 A 39 39 ALA CB C 39 20.714 19.735 0.979 1
1 443 . 4 1 1 A 39 39 ALA N N 39 124.210 125.478 -1.268 1
1 444 . 4 1 1 A 40 40 TYR H H 40 8.854 8.341 0.513 1
1 445 . 4 1 1 A 40 40 TYR HA H 40 4.796 5.431 -0.635 1
1 452 . 4 1 1 A 40 40 TYR C C 40 171.595 172.814 -1.219 1
1 453 . 4 1 1 A 40 40 TYR CA C 40 56.552 55.725 0.827 1
1 454 . 4 1 1 A 40 40 TYR CB C 40 41.319 41.588 -0.269 1
1 459 . 4 1 1 A 40 40 TYR N N 40 118.580 116.955 1.625 1
1 460 . 4 1 1 A 41 41 VAL H H 41 9.275 8.490 0.785 1
1 461 . 4 1 1 A 41 41 VAL HA H 41 4.430 4.624 -0.194 1
1 469 . 4 1 1 A 41 41 VAL C C 41 174.098 173.665 0.433 1
1 470 . 4 1 1 A 41 41 VAL CA C 41 61.566 60.400 1.166 1
1 471 . 4 1 1 A 41 41 VAL CB C 41 33.852 34.895 -1.043 1
1 474 . 4 1 1 A 41 41 VAL N N 41 118.445 119.623 -1.178 1
1 475 . 4 1 1 A 42 42 HIS H H 42 8.789 8.807 -0.018 1
1 476 . 4 1 1 A 42 42 HIS HA H 42 4.814 4.871 -0.057 1
1 480 . 4 1 1 A 42 42 HIS C C 42 172.353 172.949 -0.596 1
1 481 . 4 1 1 A 42 42 HIS CA C 42 56.537 55.013 1.524 1
1 482 . 4 1 1 A 42 42 HIS CB C 42 31.587 31.080 0.507 1
1 484 . 4 1 1 A 42 42 HIS N N 42 125.741 126.465 -0.724 1
1 485 . 4 1 1 A 43 43 PHE H H 43 8.604 8.581 0.023 1
1 486 . 4 1 1 A 43 43 PHE HA H 43 4.933 5.242 -0.309 1
1 494 . 4 1 1 A 43 43 PHE C C 43 174.119 173.507 0.612 1
1 495 . 4 1 1 A 43 43 PHE CA C 43 56.591 56.634 -0.043 1
1 496 . 4 1 1 A 43 43 PHE CB C 43 41.053 39.642 1.411 1
1 502 . 4 1 1 A 43 43 PHE N N 43 125.631 126.598 -0.967 1
1 503 . 4 1 1 A 44 44 ASP H H 44 9.322 9.093 0.229 1
1 504 . 4 1 1 A 44 44 ASP HA H 44 5.187 5.300 -0.113 1
1 507 . 4 1 1 A 44 44 ASP C C 44 175.076 174.813 0.263 1
1 508 . 4 1 1 A 44 44 ASP CA C 44 55.145 52.629 2.516 1
1 509 . 4 1 1 A 44 44 ASP CB C 44 45.197 43.823 1.374 1
1 510 . 4 1 1 A 44 44 ASP N N 44 121.184 124.984 -3.800 1
1 511 . 4 1 1 A 45 45 MET H H 45 9.110 8.711 0.399 1
1 512 . 4 1 1 A 45 45 MET HA H 45 5.765 6.012 -0.247 1
1 520 . 4 1 1 A 45 45 MET C C 45 173.254 174.442 -1.188 1
1 521 . 4 1 1 A 45 45 MET CA C 45 54.810 54.315 0.495 1
1 522 . 4 1 1 A 45 45 MET CB C 45 38.632 36.752 1.880 1
1 525 . 4 1 1 A 45 45 MET N N 45 121.976 124.422 -2.446 1
1 526 . 4 1 1 A 46 46 ASP H H 46 8.763 8.474 0.289 1
1 527 . 4 1 1 A 46 46 ASP HA H 46 4.373 4.067 0.306 1
1 530 . 4 1 1 A 46 46 ASP C C 46 173.396 173.751 -0.355 1
1 531 . 4 1 1 A 46 46 ASP CA C 46 53.810 52.311 1.499 1
1 532 . 4 1 1 A 46 46 ASP CB C 46 44.722 43.146 1.576 1
1 533 . 4 1 1 A 46 46 ASP N N 46 121.797 122.071 -0.274 1
1 534 . 4 1 1 A 47 47 GLY H H 47 7.154 7.608 -0.454 1
1 535 . 4 1 1 A 47 47 GLY HA2 H 47 5.075 3.757 1.318 1
1 536 . 4 1 1 A 47 47 GLY HA3 H 47 3.927 3.884 0.043 1
1 537 . 4 1 1 A 47 47 GLY C C 47 172.328 171.937 0.391 1
1 538 . 4 1 1 A 47 47 GLY CA C 47 45.820 44.572 1.248 1
1 539 . 4 1 1 A 47 47 GLY N N 47 105.470 105.327 0.143 1
1 540 . 4 1 1 A 48 48 GLU H H 48 9.100 8.723 0.377 1
1 541 . 4 1 1 A 48 48 GLU HA H 48 5.257 5.581 -0.324 1
1 546 . 4 1 1 A 48 48 GLU C C 48 175.019 174.461 0.558 1
1 547 . 4 1 1 A 48 48 GLU CA C 48 56.247 55.058 1.189 1
1 548 . 4 1 1 A 48 48 GLU CB C 48 35.076 34.071 1.005 1
1 550 . 4 1 1 A 48 48 GLU N N 48 119.799 119.344 0.455 1
1 551 . 4 1 1 A 49 49 ILE H H 49 7.945 8.793 -0.848 1
1 552 . 4 1 1 A 49 49 ILE HA H 49 4.540 4.495 0.045 1
1 562 . 4 1 1 A 49 49 ILE C C 49 176.382 175.624 0.758 1
1 563 . 4 1 1 A 49 49 ILE CA C 49 61.321 60.568 0.753 1
1 564 . 4 1 1 A 49 49 ILE CB C 49 41.847 40.494 1.353 1
1 568 . 4 1 1 A 49 49 ILE N N 49 120.718 120.407 0.311 1
1 569 . 4 1 1 A 50 50 ASP H H 50 10.048 9.717 0.331 1
1 570 . 4 1 1 A 50 50 ASP HA H 50 4.522 4.421 0.101 1
1 573 . 4 1 1 A 50 50 ASP C C 50 176.193 176.328 -0.135 1
1 574 . 4 1 1 A 50 50 ASP CA C 50 56.872 55.579 1.293 1
1 575 . 4 1 1 A 50 50 ASP CB C 50 40.754 39.667 1.087 1
1 576 . 4 1 1 A 50 50 ASP N N 50 130.256 129.501 0.755 1
1 577 . 4 1 1 A 51 51 GLY H H 51 9.048 8.581 0.467 1
1 578 . 4 1 1 A 51 51 GLY HA2 H 51 4.126 3.887 0.239 1
1 579 . 4 1 1 A 51 51 GLY HA3 H 51 3.660 3.899 -0.239 1
1 580 . 4 1 1 A 51 51 GLY C C 51 173.935 173.936 -0.001 1
1 581 . 4 1 1 A 51 51 GLY CA C 51 46.194 45.344 0.850 1
1 582 . 4 1 1 A 51 51 GLY N N 51 103.446 103.880 -0.434 1
1 583 . 4 1 1 A 52 52 LYS H H 52 7.905 7.437 0.468 1
1 584 . 4 1 1 A 52 52 LYS HA H 52 5.014 4.590 0.424 1
1 593 . 4 1 1 A 52 52 LYS CA C 52 53.809 53.190 0.619 1
1 594 . 4 1 1 A 52 52 LYS CB C 52 33.788 32.637 1.151 1
1 598 . 4 1 1 A 52 52 LYS N N 52 122.692 121.475 1.217 1
1 599 . 4 1 1 A 53 53 PRO HA H 53 5.523 5.359 0.164 1
1 606 . 4 1 1 A 53 53 PRO C C 53 176.300 176.469 -0.169 1
1 607 . 4 1 1 A 53 53 PRO CA C 53 62.896 62.661 0.235 1
1 608 . 4 1 1 A 53 53 PRO CB C 53 33.920 33.053 0.867 1
1 611 . 4 1 1 A 54 54 PHE H H 54 8.643 8.616 0.027 1
1 612 . 4 1 1 A 54 54 PHE HA H 54 4.907 5.115 -0.208 1
1 620 . 4 1 1 A 54 54 PHE C C 54 172.840 172.948 -0.108 1
1 621 . 4 1 1 A 54 54 PHE CA C 54 57.173 56.113 1.060 1
1 622 . 4 1 1 A 54 54 PHE CB C 54 43.620 41.117 2.503 1
1 628 . 4 1 1 A 54 54 PHE N N 54 117.436 117.638 -0.202 1
1 629 . 4 1 1 A 55 55 SER H H 55 8.009 8.728 -0.719 1
1 630 . 4 1 1 A 55 55 SER HA H 55 4.822 5.123 -0.301 1
1 633 . 4 1 1 A 55 55 SER C C 55 172.856 172.614 0.242 1
1 634 . 4 1 1 A 55 55 SER CA C 55 58.238 57.226 1.012 1
1 635 . 4 1 1 A 55 55 SER CB C 55 66.163 65.662 0.501 1
1 636 . 4 1 1 A 55 55 SER N N 55 113.907 113.973 -0.066 1
1 637 . 4 1 1 A 56 56 ASP H H 56 9.593 8.926 0.667 1
1 638 . 4 1 1 A 56 56 ASP HA H 56 4.985 5.293 -0.308 1
1 641 . 4 1 1 A 56 56 ASP C C 56 175.049 174.312 0.737 1
1 642 . 4 1 1 A 56 56 ASP CA C 56 54.043 53.993 0.050 1
1 643 . 4 1 1 A 56 56 ASP CB C 56 46.425 45.327 1.098 1
1 644 . 4 1 1 A 56 56 ASP N N 56 125.145 122.848 2.297 1
1 645 . 4 1 1 A 57 57 SER H H 57 10.207 8.757 1.450 1
1 646 . 4 1 1 A 57 57 SER HA H 57 5.383 5.359 0.024 1
1 649 . 4 1 1 A 57 57 SER C C 57 172.452 172.865 -0.413 1
1 650 . 4 1 1 A 57 57 SER CA C 57 59.008 57.222 1.786 1
1 651 . 4 1 1 A 57 57 SER CB C 57 67.802 65.583 2.219 1
1 652 . 4 1 1 A 57 57 SER N N 57 115.172 117.863 -2.691 1
1 653 . 4 1 1 A 58 58 PHE H H 58 8.623 8.853 -0.230 1
1 654 . 4 1 1 A 58 58 PHE HA H 58 4.904 5.598 -0.694 1
1 662 . 4 1 1 A 58 58 PHE C C 58 172.447 172.918 -0.471 1
1 663 . 4 1 1 A 58 58 PHE CA C 58 57.781 55.424 2.357 1
1 664 . 4 1 1 A 58 58 PHE CB C 58 40.736 43.053 -2.317 1
1 670 . 4 1 1 A 58 58 PHE N N 58 115.065 119.805 -4.740 1
1 671 . 4 1 1 A 59 59 GLU H H 59 8.721 8.863 -0.142 1
1 672 . 4 1 1 A 59 59 GLU HA H 59 5.595 5.420 0.175 1
1 677 . 4 1 1 A 59 59 GLU C C 59 175.836 175.497 0.339 1
1 678 . 4 1 1 A 59 59 GLU CA C 59 55.290 54.997 0.293 1
1 679 . 4 1 1 A 59 59 GLU CB C 59 34.345 33.378 0.967 1
1 681 . 4 1 1 A 59 59 GLU N N 59 118.122 119.444 -1.322 1
1 682 . 4 1 1 A 60 60 LEU H H 60 9.016 9.053 -0.037 1
1 683 . 4 1 1 A 60 60 LEU HA H 60 5.221 5.018 0.203 1
1 693 . 4 1 1 A 60 60 LEU CA C 60 52.275 51.181 1.094 1
1 694 . 4 1 1 A 60 60 LEU CB C 60 46.774 45.661 1.113 1
1 698 . 4 1 1 A 60 60 LEU N N 60 121.299 124.422 -3.123 1
1 699 . 4 1 1 A 61 61 PRO HA H 61 4.614 4.683 -0.069 1
1 706 . 4 1 1 A 61 61 PRO C C 61 176.316 177.512 -1.196 1
1 707 . 4 1 1 A 61 61 PRO CA C 61 62.719 62.505 0.214 1
1 708 . 4 1 1 A 61 61 PRO CB C 61 33.758 33.108 0.650 1
1 711 . 4 1 1 A 62 62 ARG H H 62 8.017 9.284 -1.267 1
1 712 . 4 1 1 A 62 62 ARG HA H 62 3.738 3.788 -0.050 1
1 719 . 4 1 1 A 62 62 ARG C C 62 176.976 177.529 -0.553 1
1 720 . 4 1 1 A 62 62 ARG CA C 62 60.653 59.381 1.272 1
1 721 . 4 1 1 A 62 62 ARG CB C 62 31.549 30.039 1.510 1
1 724 . 4 1 1 A 62 62 ARG N N 62 118.159 121.095 -2.936 1
1 725 . 4 1 1 A 63 63 ASP H H 63 8.665 8.021 0.644 1
1 726 . 4 1 1 A 63 63 ASP HA H 63 4.484 4.501 -0.017 1
1 729 . 4 1 1 A 63 63 ASP C C 63 177.483 177.096 0.387 1
1 730 . 4 1 1 A 63 63 ASP CA C 63 57.335 56.548 0.787 1
1 731 . 4 1 1 A 63 63 ASP CB C 63 41.410 41.140 0.270 1
1 732 . 4 1 1 A 63 63 ASP N N 63 113.726 119.884 -6.158 1
1 733 . 4 1 1 A 64 64 THR H H 64 7.553 7.682 -0.129 1
1 734 . 4 1 1 A 64 64 THR HA H 64 4.562 4.742 -0.180 1
1 739 . 4 1 1 A 64 64 THR C C 64 175.654 175.311 0.343 1
1 740 . 4 1 1 A 64 64 THR CA C 64 61.499 60.834 0.665 1
1 741 . 4 1 1 A 64 64 THR CB C 64 69.606 69.589 0.017 1
1 743 . 4 1 1 A 64 64 THR N N 64 107.855 107.217 0.638 1
1 744 . 4 1 1 A 65 65 ALA H H 65 7.406 7.486 -0.080 1
1 745 . 4 1 1 A 65 65 ALA HA H 65 4.012 4.119 -0.107 1
1 749 . 4 1 1 A 65 65 ALA C C 65 176.820 179.650 -2.830 1
1 750 . 4 1 1 A 65 65 ALA CA C 65 55.939 54.794 1.145 1
1 751 . 4 1 1 A 65 65 ALA CB C 65 19.454 17.975 1.479 1
1 752 . 4 1 1 A 65 65 ALA N N 65 123.777 125.883 -2.106 1
1 753 . 4 1 1 A 66 66 PHE H H 66 7.583 7.331 0.252 1
1 754 . 4 1 1 A 66 66 PHE HA H 66 4.381 4.564 -0.183 1
1 762 . 4 1 1 A 66 66 PHE C C 66 176.104 177.492 -1.388 1
1 763 . 4 1 1 A 66 66 PHE CA C 66 58.836 61.274 -2.438 1
1 764 . 4 1 1 A 66 66 PHE CB C 66 37.740 37.936 -0.196 1
1 770 . 4 1 1 A 66 66 PHE N N 66 110.346 115.756 -5.410 1
1 771 . 4 1 1 A 67 67 ASN H H 67 7.984 8.458 -0.474 1
1 772 . 4 1 1 A 67 67 ASN HA H 67 4.848 4.887 -0.039 1
1 777 . 4 1 1 A 67 67 ASN C C 67 175.700 176.960 -1.260 1
1 778 . 4 1 1 A 67 67 ASN CA C 67 53.469 54.006 -0.537 1
1 779 . 4 1 1 A 67 67 ASN CB C 67 38.836 38.597 0.239 1
1 780 . 4 1 1 A 67 67 ASN N N 67 120.591 118.944 1.647 1
1 782 . 4 1 1 A 68 68 PHE H H 68 7.218 8.015 -0.797 1
1 783 . 4 1 1 A 68 68 PHE HA H 68 4.054 4.335 -0.281 1
1 790 . 4 1 1 A 68 68 PHE C C 68 174.796 177.001 -2.205 1
1 791 . 4 1 1 A 68 68 PHE CA C 68 60.849 59.422 1.427 1
1 792 . 4 1 1 A 68 68 PHE CB C 68 40.263 37.510 2.753 1
1 797 . 4 1 1 A 68 68 PHE N N 68 115.915 119.078 -3.163 1
1 798 . 4 1 1 A 69 69 ALA H H 69 7.780 7.764 0.016 1
1 799 . 4 1 1 A 69 69 ALA HA H 69 3.484 3.403 0.081 1
1 803 . 4 1 1 A 69 69 ALA C C 69 180.022 179.937 0.085 1
1 804 . 4 1 1 A 69 69 ALA CA C 69 56.283 54.637 1.646 1
1 805 . 4 1 1 A 69 69 ALA CB C 69 18.935 18.175 0.760 1
1 806 . 4 1 1 A 69 69 ALA N N 69 124.604 123.429 1.175 1
1 807 . 4 1 1 A 70 70 SER H H 70 7.852 7.927 -0.075 1
1 808 . 4 1 1 A 70 70 SER HA H 70 4.061 4.116 -0.055 1
1 811 . 4 1 1 A 70 70 SER C C 70 177.054 176.006 1.048 1
1 812 . 4 1 1 A 70 70 SER CA C 70 62.085 61.588 0.497 1
1 813 . 4 1 1 A 70 70 SER CB C 70 62.976 63.106 -0.130 1
1 814 . 4 1 1 A 70 70 SER N N 70 114.973 113.498 1.475 1
1 815 . 4 1 1 A 71 71 ASP H H 71 7.602 7.616 -0.014 1
1 816 . 4 1 1 A 71 71 ASP HA H 71 4.012 4.197 -0.185 1
1 819 . 4 1 1 A 71 71 ASP C C 71 177.086 177.901 -0.815 1
1 820 . 4 1 1 A 71 71 ASP CA C 71 58.501 56.743 1.758 1
1 821 . 4 1 1 A 71 71 ASP CB C 71 42.006 40.834 1.172 1
1 822 . 4 1 1 A 71 71 ASP N N 71 123.211 121.751 1.460 1
1 823 . 4 1 1 A 72 72 ALA H H 72 8.406 8.266 0.140 1
1 824 . 4 1 1 A 72 72 ALA HA H 72 3.671 4.219 -0.548 1
1 828 . 4 1 1 A 72 72 ALA C C 72 179.377 179.876 -0.499 1
1 829 . 4 1 1 A 72 72 ALA CA C 72 55.717 55.322 0.395 1
1 830 . 4 1 1 A 72 72 ALA CB C 72 18.658 18.404 0.254 1
1 831 . 4 1 1 A 72 72 ALA N N 72 119.793 121.539 -1.746 1
1 832 . 4 1 1 A 73 73 THR H H 73 7.631 7.554 0.077 1
1 833 . 4 1 1 A 73 73 THR HA H 73 3.562 3.940 -0.378 1
1 838 . 4 1 1 A 73 73 THR C C 73 175.072 176.181 -1.109 1
1 839 . 4 1 1 A 73 73 THR CA C 73 68.525 66.726 1.799 1
1 840 . 4 1 1 A 73 73 THR CB C 73 69.564 68.557 1.007 1
1 842 . 4 1 1 A 73 73 THR N N 73 114.702 115.094 -0.392 1
1 843 . 4 1 1 A 74 74 ARG H H 74 7.629 8.001 -0.372 1
1 844 . 4 1 1 A 74 74 ARG HA H 74 3.795 4.011 -0.216 1
1 851 . 4 1 1 A 74 74 ARG C C 74 176.832 178.592 -1.760 1
1 852 . 4 1 1 A 74 74 ARG CA C 74 60.580 58.901 1.679 1
1 853 . 4 1 1 A 74 74 ARG CB C 74 30.409 29.586 0.823 1
1 856 . 4 1 1 A 74 74 ARG N N 74 122.528 120.587 1.941 1
1 857 . 4 1 1 A 75 75 VAL H H 75 8.008 8.248 -0.240 1
1 858 . 4 1 1 A 75 75 VAL HA H 75 3.439 3.566 -0.127 1
1 866 . 4 1 1 A 75 75 VAL C C 75 177.802 178.211 -0.409 1
1 867 . 4 1 1 A 75 75 VAL CA C 75 67.492 66.403 1.089 1
1 868 . 4 1 1 A 75 75 VAL CB C 75 32.220 31.449 0.771 1
1 871 . 4 1 1 A 75 75 VAL N N 75 120.044 119.867 0.177 1
1 872 . 4 1 1 A 76 76 ALA H H 76 8.092 7.892 0.200 1
1 873 . 4 1 1 A 76 76 ALA HA H 76 3.537 3.886 -0.349 1
1 877 . 4 1 1 A 76 76 ALA C C 76 180.078 179.854 0.224 1
1 878 . 4 1 1 A 76 76 ALA CA C 76 56.194 55.309 0.885 1
1 879 . 4 1 1 A 76 76 ALA CB C 76 18.882 17.944 0.938 1
1 880 . 4 1 1 A 76 76 ALA N N 76 120.726 122.055 -1.329 1
1 881 . 4 1 1 A 77 77 GLN H H 77 8.432 7.986 0.446 1
1 882 . 4 1 1 A 77 77 GLN HA H 77 4.428 3.973 0.455 1
1 885 . 4 1 1 A 77 77 GLN CA C 77 58.987 58.151 0.836 1
1 887 . 4 1 1 A 77 77 GLN N N 77 118.235 117.559 0.676 1
1 888 . 4 1 1 A 78 78 LYS H H 78 7.655 7.727 -0.072 1
1 889 . 4 1 1 A 78 78 LYS HA H 78 3.874 4.074 -0.200 1
1 898 . 4 1 1 A 78 78 LYS C C 78 177.044 177.145 -0.101 1
1 899 . 4 1 1 A 78 78 LYS CA C 78 59.393 58.708 0.685 1
1 900 . 4 1 1 A 78 78 LYS CB C 78 32.583 32.499 0.084 1
1 904 . 4 1 1 A 78 78 LYS N N 78 121.797 119.268 2.529 1
1 905 . 4 1 1 A 79 79 HIS H H 79 6.888 7.670 -0.782 1
1 906 . 4 1 1 A 79 79 HIS HA H 79 4.501 4.643 -0.142 1
1 909 . 4 1 1 A 79 79 HIS C C 79 174.191 175.170 -0.979 1
1 910 . 4 1 1 A 79 79 HIS CA C 79 56.166 55.432 0.734 1
1 911 . 4 1 1 A 79 79 HIS CB C 79 30.993 29.532 1.461 1
1 912 . 4 1 1 A 79 79 HIS N N 79 115.368 117.065 -1.697 1
1 913 . 4 1 1 A 80 80 GLY H H 80 7.159 7.536 -0.377 1
1 914 . 4 1 1 A 80 80 GLY HA2 H 80 4.433 3.744 0.689 1
1 915 . 4 1 1 A 80 80 GLY HA3 H 80 3.541 3.808 -0.267 1
1 916 . 4 1 1 A 80 80 GLY C C 80 175.246 175.234 0.012 1
1 917 . 4 1 1 A 80 80 GLY CA C 80 45.823 46.393 -0.570 1
1 918 . 4 1 1 A 80 80 GLY N N 80 104.319 107.661 -3.342 1
1 919 . 4 1 1 A 81 81 LEU H H 81 7.962 7.815 0.147 1
1 920 . 4 1 1 A 81 81 LEU HA H 81 4.012 4.126 -0.114 1
1 930 . 4 1 1 A 81 81 LEU CA C 81 56.383 57.695 -1.312 1
1 931 . 4 1 1 A 81 81 LEU CB C 81 43.506 42.298 1.208 1
1 935 . 4 1 1 A 81 81 LEU N N 81 124.945 121.983 2.962 1
1 936 . 4 1 1 A 83 83 PRO HA H 83 4.248 4.370 -0.122 1
1 943 . 4 1 1 A 83 83 PRO CA C 83 65.606 63.199 2.407 1
1 944 . 4 1 1 A 83 83 PRO CB C 83 32.805 32.033 0.772 1
1 947 . 4 1 1 A 84 84 LYS HA H 84 4.132 3.930 0.202 1
1 956 . 4 1 1 A 84 84 LYS CA C 84 59.351 59.569 -0.218 1
1 957 . 4 1 1 A 84 84 LYS CB C 84 33.109 32.610 0.499 1
1 961 . 4 1 1 A 85 85 PHE HA H 85 3.941 4.499 -0.558 1
1 964 . 4 1 1 A 85 85 PHE CA C 85 59.693 60.649 -0.956 1
1 965 . 4 1 1 A 85 85 PHE CB C 85 39.968 40.370 -0.402 1
1 966 . 4 1 1 A 86 86 GLY HA2 H 86 3.721 3.975 -0.254 1
1 967 . 4 1 1 A 86 86 GLY HA3 H 86 3.659 4.025 -0.366 1
1 968 . 4 1 1 A 86 86 GLY CA C 86 44.471 46.626 -2.155 1
1 969 . 4 1 1 A 87 87 ALA HA H 87 4.274 4.405 -0.131 1
1 973 . 4 1 1 A 87 87 ALA CA C 87 53.390 51.430 1.960 1
1 974 . 4 1 1 A 87 87 ALA CB C 87 20.262 17.829 2.433 1
1 975 . 4 1 1 A 88 88 ILE HA H 88 4.015 4.090 -0.075 1
1 985 . 4 1 1 A 88 88 ILE CA C 88 63.697 63.725 -0.028 1
1 986 . 4 1 1 A 88 88 ILE CB C 88 38.931 38.187 0.744 1
1 990 . 4 1 1 A 89 89 THR HA H 89 4.224 4.090 0.134 1
1 994 . 4 1 1 A 89 89 THR CA C 89 63.088 65.089 -2.001 1
1 996 . 4 1 1 A 90 90 ARG HA H 90 4.105 4.299 -0.194 1
1 1003 . 4 1 1 A 90 90 ARG CA C 90 58.412 58.596 -0.184 1
1 1004 . 4 1 1 A 90 90 ARG CB C 90 30.907 30.907 0.000 1
1 1007 . 4 1 1 A 91 91 VAL HA H 91 4.047 4.165 -0.118 1
1 1015 . 4 1 1 A 91 91 VAL C C 91 175.627 175.153 0.474 1
1 1016 . 4 1 1 A 91 91 VAL CA C 91 62.923 60.701 2.222 1
1 1017 . 4 1 1 A 91 91 VAL CB C 91 32.060 33.581 -1.521 1
1 1020 . 4 1 1 A 92 92 HIS HA H 92 4.567 3.988 0.579 1
1 1023 . 4 1 1 A 92 92 HIS CA C 92 57.021 56.893 0.128 1
1 1024 . 4 1 1 A 92 92 HIS CB C 92 31.579 26.365 5.214 1
1 1025 . 4 1 1 A 93 93 LYS H H 93 8.490 7.643 0.847 1
1 1026 . 4 1 1 A 93 93 LYS HA H 93 4.149 4.315 -0.166 1
1 1035 . 4 1 1 A 93 93 LYS CA C 93 58.472 55.221 3.251 1
1 1036 . 4 1 1 A 93 93 LYS CB C 93 32.632 31.247 1.385 1
1 1040 . 4 1 1 A 93 93 LYS N N 93 123.001 118.949 4.052 1
1 1041 . 4 1 1 A 94 94 GLU HA H 94 4.265 4.687 -0.422 1
1 1046 . 4 1 1 A 94 94 GLU CA C 94 57.682 56.296 1.386 1
1 1047 . 4 1 1 A 94 94 GLU CB C 94 30.952 30.152 0.800 1
1 1049 . 4 1 1 A 95 95 TYR HA H 95 4.205 4.190 0.015 1
1 1056 . 4 1 1 A 95 95 TYR C C 95 176.555 177.862 -1.307 1
1 1057 . 4 1 1 A 95 95 TYR CA C 95 60.582 61.128 -0.546 1
1 1058 . 4 1 1 A 95 95 TYR CB C 95 39.000 38.534 0.466 1
1 1063 . 4 1 1 A 96 96 ASP H H 96 8.104 8.858 -0.754 1
1 1064 . 4 1 1 A 96 96 ASP HA H 96 4.252 4.296 -0.044 1
1 1067 . 4 1 1 A 96 96 ASP CA C 96 58.583 56.968 1.615 1
1 1068 . 4 1 1 A 96 96 ASP CB C 96 41.058 39.764 1.294 1
1 1069 . 4 1 1 A 96 96 ASP N N 96 120.068 119.163 0.905 1
1 1070 . 4 1 1 A 97 97 ALA HA H 97 3.964 4.126 -0.162 1
1 1074 . 4 1 1 A 97 97 ALA C C 97 179.912 180.110 -0.198 1
1 1075 . 4 1 1 A 97 97 ALA CA C 97 55.582 55.333 0.249 1
1 1076 . 4 1 1 A 97 97 ALA CB C 97 18.849 18.535 0.314 1
1 1077 . 4 1 1 A 98 98 MET H H 98 7.422 8.150 -0.728 1
1 1078 . 4 1 1 A 98 98 MET HA H 98 3.847 4.167 -0.320 1
1 1083 . 4 1 1 A 98 98 MET C C 98 177.185 178.643 -1.458 1
1 1084 . 4 1 1 A 98 98 MET CA C 98 59.943 59.270 0.673 1
1 1085 . 4 1 1 A 98 98 MET CB C 98 32.583 33.005 -0.422 1
1 1087 . 4 1 1 A 98 98 MET N N 98 120.651 116.874 3.777 1
1 1088 . 4 1 1 A 99 99 PHE H H 99 8.652 8.647 0.005 1
1 1089 . 4 1 1 A 99 99 PHE HA H 99 4.150 4.114 0.036 1
1 1097 . 4 1 1 A 99 99 PHE C C 99 177.911 177.543 0.368 1
1 1098 . 4 1 1 A 99 99 PHE CA C 99 61.936 61.953 -0.017 1
1 1099 . 4 1 1 A 99 99 PHE CB C 99 39.302 39.286 0.016 1
1 1105 . 4 1 1 A 99 99 PHE N N 99 119.857 121.556 -1.699 1
1 1106 . 4 1 1 A 100 100 GLU H H 100 8.232 8.061 0.171 1
1 1107 . 4 1 1 A 100 100 GLU HA H 100 4.094 4.224 -0.130 1
1 1112 . 4 1 1 A 100 100 GLU CA C 100 59.579 59.280 0.299 1
1 1113 . 4 1 1 A 100 100 GLU CB C 100 29.878 29.041 0.837 1
1 1115 . 4 1 1 A 100 100 GLU N N 100 117.666 119.044 -1.378 1
1 1116 . 4 1 1 A 101 101 ASP HA H 101 4.568 4.455 0.113 1
1 1119 . 4 1 1 A 101 101 ASP C C 101 177.667 178.584 -0.917 1
1 1120 . 4 1 1 A 101 101 ASP CA C 101 58.940 57.703 1.237 1
1 1121 . 4 1 1 A 101 101 ASP CB C 101 43.462 41.487 1.975 1
1 1122 . 4 1 1 A 102 102 ILE H H 102 8.370 7.929 0.441 1
1 1123 . 4 1 1 A 102 102 ILE HA H 102 3.319 3.637 -0.318 1
1 1133 . 4 1 1 A 102 102 ILE C C 102 177.347 178.531 -1.184 1
1 1134 . 4 1 1 A 102 102 ILE CA C 102 67.567 65.350 2.217 1
1 1135 . 4 1 1 A 102 102 ILE CB C 102 38.766 37.693 1.073 1
1 1139 . 4 1 1 A 102 102 ILE N N 102 118.449 119.220 -0.771 1
1 1140 . 4 1 1 A 103 103 ARG H H 103 8.450 8.227 0.223 1
1 1141 . 4 1 1 A 103 103 ARG HA H 103 3.834 4.232 -0.398 1
1 1148 . 4 1 1 A 103 103 ARG C C 103 178.760 178.409 0.351 1
1 1149 . 4 1 1 A 103 103 ARG CA C 103 61.318 58.678 2.640 1
1 1150 . 4 1 1 A 103 103 ARG CB C 103 30.978 29.874 1.104 1
1 1153 . 4 1 1 A 103 103 ARG N N 103 118.941 120.688 -1.747 1
1 1154 . 4 1 1 A 104 104 ALA H H 104 8.289 7.744 0.545 1
1 1155 . 4 1 1 A 104 104 ALA HA H 104 4.072 4.080 -0.008 1
1 1159 . 4 1 1 A 104 104 ALA C C 104 181.340 179.494 1.846 1
1 1160 . 4 1 1 A 104 104 ALA CA C 104 56.021 55.360 0.661 1
1 1161 . 4 1 1 A 104 104 ALA CB C 104 18.962 18.218 0.744 1
1 1162 . 4 1 1 A 104 104 ALA N N 104 121.028 122.148 -1.120 1
1 1163 . 4 1 1 A 105 105 LYS H H 105 8.231 7.727 0.504 1
1 1164 . 4 1 1 A 105 105 LYS HA H 105 4.013 4.032 -0.019 1
1 1173 . 4 1 1 A 105 105 LYS C C 105 179.414 179.651 -0.237 1
1 1174 . 4 1 1 A 105 105 LYS CA C 105 60.025 59.511 0.514 1
1 1175 . 4 1 1 A 105 105 LYS CB C 105 34.341 31.938 2.403 1
1 1179 . 4 1 1 A 105 105 LYS N N 105 118.789 118.627 0.162 1
1 1180 . 4 1 1 A 106 106 LEU H H 106 8.289 8.285 0.004 1
1 1181 . 4 1 1 A 106 106 LEU HA H 106 4.043 4.025 0.018 1
1 1191 . 4 1 1 A 106 106 LEU C C 106 178.091 178.636 -0.545 1
1 1192 . 4 1 1 A 106 106 LEU CA C 106 57.469 57.644 -0.175 1
1 1193 . 4 1 1 A 106 106 LEU CB C 106 43.248 41.294 1.954 1
1 1197 . 4 1 1 A 106 106 LEU N N 106 119.086 120.507 -1.421 1
1 1198 . 4 1 1 A 107 107 HIS H H 107 7.861 8.100 -0.239 1
1 1199 . 4 1 1 A 107 107 HIS HA H 107 4.428 4.368 0.060 1
1 1203 . 4 1 1 A 107 107 HIS C C 107 175.263 174.740 0.523 1
1 1204 . 4 1 1 A 107 107 HIS CA C 107 58.218 58.511 -0.293 1
1 1205 . 4 1 1 A 107 107 HIS CB C 107 30.819 30.453 0.366 1
1 1207 . 4 1 1 A 107 107 HIS N N 107 118.172 118.360 -0.188 1
1 1208 . 4 1 1 A 108 108 ALA H H 108 7.505 7.918 -0.413 1
1 1209 . 4 1 1 A 108 108 ALA HA H 108 4.218 3.833 0.385 1
1 1213 . 4 1 1 A 108 108 ALA C C 108 179.374 175.658 3.716 1
1 1214 . 4 1 1 A 108 108 ALA CA C 108 53.303 53.878 -0.575 1
1 1215 . 4 1 1 A 108 108 ALA CB C 108 20.005 17.858 2.147 1
1 1216 . 4 1 1 A 108 108 ALA N N 108 121.363 120.615 0.748 1
1 1217 . 4 1 1 A 109 109 HIS H H 109 7.987 7.843 0.144 1
1 1218 . 4 1 1 A 109 109 HIS HA H 109 4.770 5.095 -0.325 1
1 1221 . 4 1 1 A 109 109 HIS CA C 109 55.217 53.663 1.554 1
1 1222 . 4 1 1 A 109 109 HIS CB C 109 31.250 33.261 -2.011 1
1 1223 . 4 1 1 A 109 109 HIS N N 109 120.133 116.340 3.793 1
1 1224 . 4 1 1 A 110 110 PRO HA H 110 4.368 4.688 -0.320 1
1 1231 . 4 1 1 A 110 110 PRO C C 110 177.350 176.506 0.844 1
1 1232 . 4 1 1 A 110 110 PRO CA C 110 64.430 62.366 2.064 1
1 1233 . 4 1 1 A 110 110 PRO CB C 110 32.912 29.556 3.356 1
1 1236 . 4 1 1 A 111 111 GLY H H 111 8.492 8.626 -0.134 1
1 1237 . 4 1 1 A 111 111 GLY HA2 H 111 3.925 3.804 0.121 1
1 1238 . 4 1 1 A 111 111 GLY HA3 H 111 3.925 3.870 0.055 1
1 1239 . 4 1 1 A 111 111 GLY C C 111 173.681 174.154 -0.473 1
1 1240 . 4 1 1 A 111 111 GLY CA C 111 45.831 46.528 -0.697 1
1 1241 . 4 1 1 A 111 111 GLY N N 111 109.622 110.166 -0.544 1
1 1242 . 4 1 1 A 112 112 GLU H H 112 8.139 7.783 0.356 1
1 1243 . 4 1 1 A 112 112 GLU HA H 112 4.573 4.829 -0.256 1
1 1248 . 4 1 1 A 112 112 GLU CA C 112 55.099 54.416 0.683 1
1 1249 . 4 1 1 A 112 112 GLU CB C 112 30.664 30.545 0.119 1
1 1251 . 4 1 1 A 112 112 GLU N N 112 121.771 118.906 2.865 1
1 1252 . 4 1 1 A 113 113 PRO HA H 113 4.411 4.580 -0.169 1
1 1259 . 4 1 1 A 113 113 PRO C C 113 176.943 176.487 0.456 1
1 1260 . 4 1 1 A 113 113 PRO CA C 113 63.990 62.725 1.265 1
1 1261 . 4 1 1 A 113 113 PRO CB C 113 32.817 32.422 0.395 1
1 1264 . 4 1 1 A 114 114 VAL H H 114 8.226 8.405 -0.179 1
1 1265 . 4 1 1 A 114 114 VAL HA H 114 4.036 4.267 -0.231 1
1 1273 . 4 1 1 A 114 114 VAL C C 114 175.708 176.845 -1.137 1
1 1274 . 4 1 1 A 114 114 VAL CA C 114 63.021 62.227 0.794 1
1 1275 . 4 1 1 A 114 114 VAL CB C 114 33.996 32.133 1.863 1
1 1278 . 4 1 1 A 114 114 VAL N N 114 120.138 122.111 -1.973 1
1 1279 . 4 1 1 A 115 115 ASP H H 115 8.313 9.217 -0.904 1
1 1280 . 4 1 1 A 115 115 ASP HA H 115 4.587 4.395 0.192 1
1 1283 . 4 1 1 A 115 115 ASP C C 115 176.361 178.172 -1.811 1
1 1284 . 4 1 1 A 115 115 ASP CA C 115 54.760 56.168 -1.408 1
1 1285 . 4 1 1 A 115 115 ASP CB C 115 41.888 40.814 1.074 1
1 1286 . 4 1 1 A 115 115 ASP N N 115 123.840 130.472 -6.632 1
1 1287 . 4 1 1 A 116 116 LEU H H 116 8.202 7.893 0.309 1
1 1288 . 4 1 1 A 116 116 LEU HA H 116 4.168 3.970 0.198 1
1 1298 . 4 1 1 A 116 116 LEU C C 116 177.811 178.929 -1.118 1
1 1299 . 4 1 1 A 116 116 LEU CA C 116 56.696 57.757 -1.061 1
1 1300 . 4 1 1 A 116 116 LEU CB C 116 43.084 41.045 2.039 1
1 1304 . 4 1 1 A 116 116 LEU N N 116 123.362 119.325 4.037 1
1 1305 . 4 1 1 A 117 117 GLU H H 117 8.311 8.049 0.262 1
1 1306 . 4 1 1 A 117 117 GLU HA H 117 4.141 4.024 0.117 1
1 1311 . 4 1 1 A 117 117 GLU C C 117 176.687 178.724 -2.037 1
1 1312 . 4 1 1 A 117 117 GLU CA C 117 57.937 59.451 -1.514 1
1 1313 . 4 1 1 A 117 117 GLU CB C 117 30.685 29.289 1.396 1
1 1315 . 4 1 1 A 117 117 GLU N N 117 119.881 118.897 0.984 1
1 1316 . 4 1 1 A 118 118 ARG H H 118 7.930 8.034 -0.104 1
1 1317 . 4 1 1 A 118 118 ARG HA H 118 4.223 4.141 0.082 1
1 1324 . 4 1 1 A 118 118 ARG C C 118 176.125 179.090 -2.965 1
1 1325 . 4 1 1 A 118 118 ARG CA C 118 57.133 58.332 -1.199 1
1 1326 . 4 1 1 A 118 118 ARG CB C 118 31.445 29.938 1.507 1
1 1329 . 4 1 1 A 118 118 ARG N N 118 120.580 120.314 0.266 1
1 1330 . 4 1 1 A 119 119 ILE H H 119 7.926 7.594 0.332 1
1 1331 . 4 1 1 A 119 119 ILE HA H 119 4.041 3.933 0.108 1
1 1341 . 4 1 1 A 119 119 ILE C C 119 176.166 175.943 0.223 1
1 1342 . 4 1 1 A 119 119 ILE CA C 119 62.131 64.695 -2.564 1
1 1343 . 4 1 1 A 119 119 ILE CB C 119 39.327 38.474 0.853 1
1 1347 . 4 1 1 A 119 119 ILE N N 119 121.721 117.817 3.904 1
1 1348 . 4 1 1 A 120 120 ILE H H 120 8.152 7.560 0.592 1
1 1349 . 4 1 1 A 120 120 ILE HA H 120 4.038 4.410 -0.372 1
1 1359 . 4 1 1 A 120 120 ILE C C 120 175.922 175.226 0.696 1
1 1360 . 4 1 1 A 120 120 ILE CA C 120 61.812 60.805 1.007 1
1 1361 . 4 1 1 A 120 120 ILE CB C 120 39.091 38.804 0.287 1
1 1365 . 4 1 1 A 120 120 ILE N N 120 125.274 121.009 4.265 1
1 1366 . 4 1 1 A 121 121 ARG H H 121 8.266 8.886 -0.620 1
1 1367 . 4 1 1 A 121 121 ARG HA H 121 4.293 4.511 -0.218 1
1 1374 . 4 1 1 A 121 121 ARG CA C 121 56.489 57.376 -0.887 1
1 1375 . 4 1 1 A 121 121 ARG CB C 121 31.785 31.476 0.309 1
1 1378 . 4 1 1 A 121 121 ARG N N 121 125.412 128.148 -2.736 1
1 1379 . 4 1 1 A 122 122 HIS HA H 122 5.066 4.700 0.366 1
1 1383 . 4 1 1 A 122 122 HIS C C 122 175.210 173.362 1.848 1
1 1384 . 4 1 1 A 122 122 HIS CA C 122 56.554 56.308 0.246 1
1 1385 . 4 1 1 A 122 122 HIS CB C 122 32.905 32.222 0.683 1
1 1387 . 4 1 1 A 123 123 GLU H H 123 8.936 8.222 0.714 1
1 1388 . 4 1 1 A 123 123 GLU N N 123 121.008 124.148 -3.140 1
1 1389 . 4 1 1 A 124 124 GLY HA2 H 124 3.984 3.836 0.148 1
1 1390 . 4 1 1 A 124 124 GLY HA3 H 124 3.913 3.879 0.034 1
1 1391 . 4 1 1 A 124 124 GLY C C 124 173.408 174.987 -1.579 1
1 1392 . 4 1 1 A 124 124 GLY CA C 124 46.124 46.876 -0.752 1
1 10 . 5 1 1 A 2 2 GLY H H 2 8.402 8.675 -0.273 1
1 11 . 5 1 1 A 2 2 GLY HA2 H 2 3.903 4.067 -0.164 1
1 12 . 5 1 1 A 2 2 GLY HA3 H 2 3.903 4.089 -0.186 1
1 13 . 5 1 1 A 2 2 GLY C C 2 172.919 174.600 -1.681 1
1 14 . 5 1 1 A 2 2 GLY CA C 2 45.814 46.127 -0.313 1
1 15 . 5 1 1 A 2 2 GLY N N 2 110.769 110.253 0.516 1
1 16 . 5 1 1 A 3 3 HIS H H 3 8.198 8.861 -0.663 1
1 17 . 5 1 1 A 3 3 HIS N N 3 120.514 125.581 -5.067 1
1 18 . 5 1 1 A 4 4 MET HA H 4 4.688 4.940 -0.252 1
1 26 . 5 1 1 A 4 4 MET CA C 4 56.462 54.590 1.872 1
1 27 . 5 1 1 A 4 4 MET CB C 4 35.293 34.604 0.689 1
1 30 . 5 1 1 A 5 5 PHE H H 5 8.690 9.171 -0.481 1
1 31 . 5 1 1 A 5 5 PHE HA H 5 5.254 5.450 -0.196 1
1 39 . 5 1 1 A 5 5 PHE C C 5 173.490 173.879 -0.389 1
1 40 . 5 1 1 A 5 5 PHE CA C 5 58.548 56.317 2.231 1
1 41 . 5 1 1 A 5 5 PHE CB C 5 43.312 42.336 0.976 1
1 47 . 5 1 1 A 5 5 PHE N N 5 123.462 126.316 -2.854 1
1 48 . 5 1 1 A 6 6 GLU H H 6 7.963 9.049 -1.086 1
1 49 . 5 1 1 A 6 6 GLU HA H 6 4.182 4.669 -0.487 1
1 54 . 5 1 1 A 6 6 GLU CA C 6 53.572 53.585 -0.013 1
1 55 . 5 1 1 A 6 6 GLU CB C 6 31.259 32.927 -1.668 1
1 57 . 5 1 1 A 6 6 GLU N N 6 127.826 124.788 3.038 1
1 58 . 5 1 1 A 7 7 PRO HA H 7 3.783 4.444 -0.661 1
1 65 . 5 1 1 A 7 7 PRO C C 7 177.433 177.395 0.038 1
1 66 . 5 1 1 A 7 7 PRO CA C 7 66.503 63.734 2.769 1
1 67 . 5 1 1 A 7 7 PRO CB C 7 31.785 31.264 0.521 1
1 70 . 5 1 1 A 8 8 GLY H H 8 7.537 8.779 -1.242 1
1 71 . 5 1 1 A 8 8 GLY HA2 H 8 3.896 3.536 0.360 1
1 72 . 5 1 1 A 8 8 GLY HA3 H 8 2.085 3.746 -1.661 1
1 73 . 5 1 1 A 8 8 GLY C C 8 174.730 172.781 1.949 1
1 74 . 5 1 1 A 8 8 GLY CA C 8 46.895 44.828 2.067 1
1 75 . 5 1 1 A 8 8 GLY N N 8 111.178 112.718 -1.540 1
1 76 . 5 1 1 A 9 9 HIS H H 9 9.112 7.486 1.626 1
1 77 . 5 1 1 A 9 9 HIS HA H 9 5.699 4.964 0.735 1
1 81 . 5 1 1 A 9 9 HIS C C 9 170.886 172.623 -1.737 1
1 82 . 5 1 1 A 9 9 HIS CA C 9 55.252 55.664 -0.412 1
1 83 . 5 1 1 A 9 9 HIS CB C 9 32.029 33.012 -0.983 1
1 85 . 5 1 1 A 9 9 HIS N N 9 122.719 119.124 3.595 1
1 86 . 5 1 1 A 10 10 LEU H H 10 9.637 9.011 0.626 1
1 87 . 5 1 1 A 10 10 LEU HA H 10 5.198 5.107 0.091 1
1 97 . 5 1 1 A 10 10 LEU C C 10 173.565 174.741 -1.176 1
1 98 . 5 1 1 A 10 10 LEU CA C 10 54.377 53.758 0.619 1
1 99 . 5 1 1 A 10 10 LEU CB C 10 46.916 45.333 1.583 1
1 103 . 5 1 1 A 10 10 LEU N N 10 130.516 129.904 0.612 1
1 104 . 5 1 1 A 11 11 HIS H H 11 9.237 8.913 0.324 1
1 105 . 5 1 1 A 11 11 HIS HA H 11 5.478 5.571 -0.093 1
1 109 . 5 1 1 A 11 11 HIS C C 11 173.559 173.360 0.199 1
1 110 . 5 1 1 A 11 11 HIS CA C 11 53.302 53.310 -0.008 1
1 111 . 5 1 1 A 11 11 HIS CB C 11 34.638 32.743 1.895 1
1 113 . 5 1 1 A 11 11 HIS N N 11 128.715 125.928 2.787 1
1 114 . 5 1 1 A 12 12 LEU H H 12 9.370 9.205 0.165 1
1 115 . 5 1 1 A 12 12 LEU HA H 12 4.863 4.840 0.023 1
1 125 . 5 1 1 A 12 12 LEU CA C 12 54.243 53.879 0.364 1
1 126 . 5 1 1 A 12 12 LEU CB C 12 45.047 41.152 3.895 1
1 130 . 5 1 1 A 12 12 LEU N N 12 127.423 128.644 -1.221 1
1 131 . 5 1 1 A 13 13 VAL HA H 13 4.847 5.635 -0.788 1
1 139 . 5 1 1 A 13 13 VAL CA C 13 60.665 59.234 1.431 1
1 140 . 5 1 1 A 13 13 VAL CB C 13 35.978 35.876 0.102 1
1 143 . 5 1 1 A 14 14 SER H H 14 8.220 8.824 -0.604 1
1 144 . 5 1 1 A 14 14 SER HA H 14 4.563 5.129 -0.566 1
1 147 . 5 1 1 A 14 14 SER CA C 14 58.588 56.154 2.434 1
1 148 . 5 1 1 A 14 14 SER CB C 14 65.442 66.375 -0.933 1
1 149 . 5 1 1 A 14 14 SER N N 14 118.092 116.477 1.615 1
1 150 . 5 1 1 A 15 15 LEU H H 15 8.965 8.354 0.611 1
1 151 . 5 1 1 A 15 15 LEU HA H 15 4.725 4.237 0.488 1
1 161 . 5 1 1 A 15 15 LEU CA C 15 53.203 53.311 -0.108 1
1 162 . 5 1 1 A 15 15 LEU CB C 15 42.658 42.374 0.284 1
1 166 . 5 1 1 A 15 15 LEU N N 15 124.969 123.076 1.893 1
1 167 . 5 1 1 A 16 16 PRO HA H 16 4.326 4.715 -0.389 1
1 174 . 5 1 1 A 16 16 PRO C C 16 177.551 177.478 0.073 1
1 175 . 5 1 1 A 16 16 PRO CA C 16 64.262 62.694 1.568 1
1 176 . 5 1 1 A 16 16 PRO CB C 16 32.855 33.258 -0.403 1
1 179 . 5 1 1 A 17 17 GLY H H 17 8.597 8.452 0.145 1
1 180 . 5 1 1 A 17 17 GLY HA2 H 17 4.091 3.912 0.179 1
1 181 . 5 1 1 A 17 17 GLY HA3 H 17 3.773 3.929 -0.156 1
1 182 . 5 1 1 A 17 17 GLY C C 17 173.908 175.570 -1.662 1
1 183 . 5 1 1 A 17 17 GLY CA C 17 46.155 45.294 0.861 1
1 184 . 5 1 1 A 17 17 GLY N N 17 110.651 110.716 -0.065 1
1 185 . 5 1 1 A 18 18 LEU H H 18 7.998 8.074 -0.076 1
1 186 . 5 1 1 A 18 18 LEU HA H 18 4.318 3.919 0.399 1
1 192 . 5 1 1 A 18 18 LEU CA C 18 56.800 57.628 -0.828 1
1 193 . 5 1 1 A 18 18 LEU CB C 18 43.502 39.924 3.578 1
1 195 . 5 1 1 A 18 18 LEU N N 18 122.006 117.162 4.844 1
1 196 . 5 1 1 A 19 19 ASP HA H 19 4.330 4.347 -0.017 1
1 199 . 5 1 1 A 19 19 ASP CA C 19 56.800 56.991 -0.191 1
1 200 . 5 1 1 A 19 19 ASP CB C 19 43.498 41.105 2.393 1
1 201 . 5 1 1 A 20 20 GLN HA H 20 4.248 3.885 0.363 1
1 208 . 5 1 1 A 20 20 GLN CA C 20 56.991 55.506 1.485 1
1 209 . 5 1 1 A 20 20 GLN CB C 20 31.005 28.573 2.432 1
1 212 . 5 1 1 A 21 21 GLN H H 21 7.823 7.557 0.266 1
1 213 . 5 1 1 A 21 21 GLN HA H 21 4.478 4.398 0.080 1
1 220 . 5 1 1 A 21 21 GLN C C 21 174.199 173.838 0.361 1
1 221 . 5 1 1 A 21 21 GLN CA C 21 56.424 56.967 -0.543 1
1 222 . 5 1 1 A 21 21 GLN CB C 21 33.930 27.598 6.332 1
1 224 . 5 1 1 A 21 21 GLN N N 21 118.190 116.391 1.799 1
1 226 . 5 1 1 A 22 22 ASP H H 22 8.549 8.928 -0.379 1
1 227 . 5 1 1 A 22 22 ASP HA H 22 4.708 4.899 -0.191 1
1 230 . 5 1 1 A 22 22 ASP C C 22 175.399 175.018 0.381 1
1 231 . 5 1 1 A 22 22 ASP CA C 22 54.415 52.865 1.550 1
1 232 . 5 1 1 A 22 22 ASP CB C 22 42.744 40.031 2.713 1
1 233 . 5 1 1 A 22 22 ASP N N 22 122.563 125.353 -2.790 1
1 234 . 5 1 1 A 23 23 ILE H H 23 8.681 7.869 0.812 1
1 235 . 5 1 1 A 23 23 ILE HA H 23 4.726 4.618 0.108 1
1 245 . 5 1 1 A 23 23 ILE C C 23 174.896 175.161 -0.265 1
1 246 . 5 1 1 A 23 23 ILE CA C 23 60.384 60.540 -0.156 1
1 247 . 5 1 1 A 23 23 ILE CB C 23 42.843 38.711 4.132 1
1 251 . 5 1 1 A 23 23 ILE N N 23 121.642 120.059 1.583 1
1 252 . 5 1 1 A 24 24 ASN H H 24 8.224 8.898 -0.674 1
1 253 . 5 1 1 A 24 24 ASN HA H 24 5.252 5.947 -0.695 1
1 258 . 5 1 1 A 24 24 ASN C C 24 174.672 174.054 0.618 1
1 259 . 5 1 1 A 24 24 ASN CA C 24 54.262 52.100 2.162 1
1 260 . 5 1 1 A 24 24 ASN CB C 24 40.495 41.322 -0.827 1
1 261 . 5 1 1 A 24 24 ASN N N 24 124.418 123.177 1.241 1
1 263 . 5 1 1 A 25 25 ILE H H 25 9.453 9.453 0.000 1
1 264 . 5 1 1 A 25 25 ILE HA H 25 4.896 5.063 -0.167 1
1 274 . 5 1 1 A 25 25 ILE C C 25 173.645 174.947 -1.302 1
1 275 . 5 1 1 A 25 25 ILE CA C 25 61.580 60.606 0.974 1
1 276 . 5 1 1 A 25 25 ILE CB C 25 44.146 42.062 2.084 1
1 280 . 5 1 1 A 25 25 ILE N N 25 122.056 123.916 -1.860 1
1 281 . 5 1 1 A 26 26 HIS H H 26 9.716 8.946 0.770 1
1 282 . 5 1 1 A 26 26 HIS HA H 26 5.404 5.166 0.238 1
1 286 . 5 1 1 A 26 26 HIS C C 26 175.078 174.360 0.718 1
1 287 . 5 1 1 A 26 26 HIS CA C 26 55.881 54.812 1.069 1
1 288 . 5 1 1 A 26 26 HIS CB C 26 32.829 30.460 2.369 1
1 290 . 5 1 1 A 26 26 HIS N N 26 126.720 125.807 0.913 1
1 291 . 5 1 1 A 27 27 ILE H H 27 9.935 9.470 0.465 1
1 292 . 5 1 1 A 27 27 ILE HA H 27 5.096 5.141 -0.045 1
1 302 . 5 1 1 A 27 27 ILE C C 27 174.860 174.340 0.520 1
1 303 . 5 1 1 A 27 27 ILE CA C 27 61.915 60.457 1.458 1
1 304 . 5 1 1 A 27 27 ILE CB C 27 40.667 38.575 2.092 1
1 308 . 5 1 1 A 27 27 ILE N N 27 123.352 125.450 -2.098 1
1 309 . 5 1 1 A 28 28 ARG H H 28 9.315 8.910 0.405 1
1 310 . 5 1 1 A 28 28 ARG HA H 28 5.621 4.902 0.719 1
1 317 . 5 1 1 A 28 28 ARG C C 28 175.573 174.447 1.126 1
1 318 . 5 1 1 A 28 28 ARG CA C 28 54.904 54.368 0.536 1
1 319 . 5 1 1 A 28 28 ARG CB C 28 33.782 32.419 1.363 1
1 322 . 5 1 1 A 28 28 ARG N N 28 127.731 129.553 -1.822 1
1 323 . 5 1 1 A 29 29 TYR H H 29 7.656 8.196 -0.540 1
1 324 . 5 1 1 A 29 29 TYR HA H 29 5.831 5.648 0.183 1
1 331 . 5 1 1 A 29 29 TYR C C 29 173.770 174.935 -1.165 1
1 332 . 5 1 1 A 29 29 TYR CA C 29 55.377 55.751 -0.374 1
1 333 . 5 1 1 A 29 29 TYR CB C 29 43.035 40.709 2.326 1
1 338 . 5 1 1 A 29 29 TYR N N 29 117.229 124.397 -7.168 1
1 339 . 5 1 1 A 30 30 GLU H H 30 8.323 8.681 -0.358 1
1 340 . 5 1 1 A 30 30 GLU HA H 30 4.381 4.765 -0.384 1
1 345 . 5 1 1 A 30 30 GLU C C 30 173.976 174.854 -0.878 1
1 346 . 5 1 1 A 30 30 GLU CA C 30 55.235 55.165 0.070 1
1 347 . 5 1 1 A 30 30 GLU CB C 30 34.494 32.023 2.471 1
1 349 . 5 1 1 A 30 30 GLU N N 30 117.003 124.801 -7.798 1
1 350 . 5 1 1 A 31 31 VAL H H 31 8.957 8.565 0.392 1
1 351 . 5 1 1 A 31 31 VAL HA H 31 4.262 4.189 0.073 1
1 359 . 5 1 1 A 31 31 VAL C C 31 175.045 174.773 0.272 1
1 360 . 5 1 1 A 31 31 VAL CA C 31 63.418 62.567 0.851 1
1 361 . 5 1 1 A 31 31 VAL CB C 31 32.211 31.691 0.520 1
1 364 . 5 1 1 A 31 31 VAL N N 31 125.299 127.611 -2.312 1
1 365 . 5 1 1 A 32 32 ARG H H 32 8.550 8.361 0.189 1
1 366 . 5 1 1 A 32 32 ARG HA H 32 4.408 4.945 -0.537 1
1 373 . 5 1 1 A 32 32 ARG C C 32 173.222 174.058 -0.836 1
1 374 . 5 1 1 A 32 32 ARG CA C 32 55.048 53.821 1.227 1
1 375 . 5 1 1 A 32 32 ARG CB C 32 34.646 34.050 0.596 1
1 378 . 5 1 1 A 32 32 ARG N N 32 128.345 129.505 -1.160 1
1 379 . 5 1 1 A 33 33 GLN H H 33 8.148 8.588 -0.440 1
1 380 . 5 1 1 A 33 33 GLN HA H 33 4.697 5.178 -0.481 1
1 387 . 5 1 1 A 33 33 GLN C C 33 175.419 175.629 -0.210 1
1 388 . 5 1 1 A 33 33 GLN CA C 33 55.943 54.870 1.073 1
1 389 . 5 1 1 A 33 33 GLN CB C 33 31.679 29.942 1.737 1
1 391 . 5 1 1 A 33 33 GLN N N 33 116.088 123.811 -7.723 1
1 393 . 5 1 1 A 34 34 ASN H H 34 8.323 8.820 -0.497 1
1 394 . 5 1 1 A 34 34 ASN HA H 34 4.825 5.251 -0.426 1
1 399 . 5 1 1 A 34 34 ASN CA C 34 53.468 51.603 1.865 1
1 400 . 5 1 1 A 34 34 ASN CB C 34 41.559 40.185 1.374 1
1 401 . 5 1 1 A 34 34 ASN N N 34 121.088 124.185 -3.097 1
1 403 . 5 1 1 A 35 35 ALA HA H 35 4.099 4.044 0.055 1
1 407 . 5 1 1 A 35 35 ALA C C 35 178.472 179.332 -0.860 1
1 408 . 5 1 1 A 35 35 ALA CA C 35 55.591 54.751 0.840 1
1 409 . 5 1 1 A 35 35 ALA CB C 35 19.600 18.363 1.237 1
1 410 . 5 1 1 A 36 36 GLU H H 36 8.362 8.094 0.268 1
1 411 . 5 1 1 A 36 36 GLU HA H 36 4.263 4.031 0.232 1
1 416 . 5 1 1 A 36 36 GLU C C 36 177.727 177.814 -0.087 1
1 417 . 5 1 1 A 36 36 GLU CA C 36 59.010 59.068 -0.058 1
1 418 . 5 1 1 A 36 36 GLU CB C 36 31.059 29.776 1.283 1
1 420 . 5 1 1 A 36 36 GLU N N 36 116.669 119.956 -3.287 1
1 421 . 5 1 1 A 37 37 SER H H 37 8.338 8.037 0.301 1
1 422 . 5 1 1 A 37 37 SER HA H 37 4.515 4.688 -0.173 1
1 425 . 5 1 1 A 37 37 SER C C 37 175.134 174.879 0.255 1
1 426 . 5 1 1 A 37 37 SER CA C 37 59.568 58.130 1.438 1
1 427 . 5 1 1 A 37 37 SER CB C 37 65.114 63.837 1.277 1
1 428 . 5 1 1 A 37 37 SER N N 37 111.971 112.948 -0.977 1
1 429 . 5 1 1 A 38 38 GLY H H 38 8.098 7.846 0.252 1
1 430 . 5 1 1 A 38 38 GLY HA2 H 38 4.294 3.911 0.383 1
1 431 . 5 1 1 A 38 38 GLY HA3 H 38 3.975 3.911 0.064 1
1 432 . 5 1 1 A 38 38 GLY C C 38 173.759 173.976 -0.217 1
1 433 . 5 1 1 A 38 38 GLY CA C 38 45.904 47.200 -1.296 1
1 434 . 5 1 1 A 38 38 GLY N N 38 111.508 110.649 0.859 1
1 435 . 5 1 1 A 39 39 ALA H H 39 8.450 8.185 0.265 1
1 436 . 5 1 1 A 39 39 ALA HA H 39 4.902 4.721 0.181 1
1 440 . 5 1 1 A 39 39 ALA C C 39 177.193 177.360 -0.167 1
1 441 . 5 1 1 A 39 39 ALA CA C 39 52.880 51.540 1.340 1
1 442 . 5 1 1 A 39 39 ALA CB C 39 20.714 19.967 0.747 1
1 443 . 5 1 1 A 39 39 ALA N N 39 124.210 126.683 -2.473 1
1 444 . 5 1 1 A 40 40 TYR H H 40 8.854 8.528 0.326 1
1 445 . 5 1 1 A 40 40 TYR HA H 40 4.796 5.361 -0.565 1
1 452 . 5 1 1 A 40 40 TYR C C 40 171.595 172.586 -0.991 1
1 453 . 5 1 1 A 40 40 TYR CA C 40 56.552 55.854 0.698 1
1 454 . 5 1 1 A 40 40 TYR CB C 40 41.319 40.895 0.424 1
1 459 . 5 1 1 A 40 40 TYR N N 40 118.580 116.952 1.628 1
1 460 . 5 1 1 A 41 41 VAL H H 41 9.275 8.386 0.889 1
1 461 . 5 1 1 A 41 41 VAL HA H 41 4.430 4.680 -0.250 1
1 469 . 5 1 1 A 41 41 VAL C C 41 174.098 173.340 0.758 1
1 470 . 5 1 1 A 41 41 VAL CA C 41 61.566 60.428 1.138 1
1 471 . 5 1 1 A 41 41 VAL CB C 41 33.852 34.694 -0.842 1
1 474 . 5 1 1 A 41 41 VAL N N 41 118.445 119.121 -0.676 1
1 475 . 5 1 1 A 42 42 HIS H H 42 8.789 8.734 0.055 1
1 476 . 5 1 1 A 42 42 HIS HA H 42 4.814 5.063 -0.249 1
1 480 . 5 1 1 A 42 42 HIS C C 42 172.353 172.978 -0.625 1
1 481 . 5 1 1 A 42 42 HIS CA C 42 56.537 54.963 1.574 1
1 482 . 5 1 1 A 42 42 HIS CB C 42 31.587 32.702 -1.115 1
1 484 . 5 1 1 A 42 42 HIS N N 42 125.741 126.581 -0.840 1
1 485 . 5 1 1 A 43 43 PHE H H 43 8.604 8.639 -0.035 1
1 486 . 5 1 1 A 43 43 PHE HA H 43 4.933 4.958 -0.025 1
1 494 . 5 1 1 A 43 43 PHE C C 43 174.119 173.955 0.164 1
1 495 . 5 1 1 A 43 43 PHE CA C 43 56.591 55.757 0.834 1
1 496 . 5 1 1 A 43 43 PHE CB C 43 41.053 41.092 -0.039 1
1 502 . 5 1 1 A 43 43 PHE N N 43 125.631 124.671 0.960 1
1 503 . 5 1 1 A 44 44 ASP H H 44 9.322 8.627 0.695 1
1 504 . 5 1 1 A 44 44 ASP HA H 44 5.187 5.534 -0.347 1
1 507 . 5 1 1 A 44 44 ASP C C 44 175.076 175.412 -0.336 1
1 508 . 5 1 1 A 44 44 ASP CA C 44 55.145 52.803 2.342 1
1 509 . 5 1 1 A 44 44 ASP CB C 44 45.197 43.724 1.473 1
1 510 . 5 1 1 A 44 44 ASP N N 44 121.184 122.489 -1.305 1
1 511 . 5 1 1 A 45 45 MET H H 45 9.110 8.690 0.420 1
1 512 . 5 1 1 A 45 45 MET HA H 45 5.765 5.784 -0.019 1
1 520 . 5 1 1 A 45 45 MET C C 45 173.254 173.958 -0.704 1
1 521 . 5 1 1 A 45 45 MET CA C 45 54.810 54.577 0.233 1
1 522 . 5 1 1 A 45 45 MET CB C 45 38.632 36.890 1.742 1
1 525 . 5 1 1 A 45 45 MET N N 45 121.976 121.141 0.835 1
1 526 . 5 1 1 A 46 46 ASP H H 46 8.763 8.764 -0.001 1
1 527 . 5 1 1 A 46 46 ASP HA H 46 4.373 4.134 0.239 1
1 530 . 5 1 1 A 46 46 ASP C C 46 173.396 174.079 -0.683 1
1 531 . 5 1 1 A 46 46 ASP CA C 46 53.810 52.303 1.507 1
1 532 . 5 1 1 A 46 46 ASP CB C 46 44.722 43.504 1.218 1
1 533 . 5 1 1 A 46 46 ASP N N 46 121.797 121.392 0.405 1
1 534 . 5 1 1 A 47 47 GLY H H 47 7.154 7.552 -0.398 1
1 535 . 5 1 1 A 47 47 GLY HA2 H 47 5.075 4.014 1.061 1
1 536 . 5 1 1 A 47 47 GLY HA3 H 47 3.927 4.034 -0.107 1
1 537 . 5 1 1 A 47 47 GLY C C 47 172.328 172.169 0.159 1
1 538 . 5 1 1 A 47 47 GLY CA C 47 45.820 45.241 0.579 1
1 539 . 5 1 1 A 47 47 GLY N N 47 105.470 105.357 0.113 1
1 540 . 5 1 1 A 48 48 GLU H H 48 9.100 8.808 0.292 1
1 541 . 5 1 1 A 48 48 GLU HA H 48 5.257 5.509 -0.252 1
1 546 . 5 1 1 A 48 48 GLU C C 48 175.019 174.407 0.612 1
1 547 . 5 1 1 A 48 48 GLU CA C 48 56.247 54.866 1.381 1
1 548 . 5 1 1 A 48 48 GLU CB C 48 35.076 34.216 0.860 1
1 550 . 5 1 1 A 48 48 GLU N N 48 119.799 119.896 -0.097 1
1 551 . 5 1 1 A 49 49 ILE H H 49 7.945 8.687 -0.742 1
1 552 . 5 1 1 A 49 49 ILE HA H 49 4.540 4.381 0.159 1
1 562 . 5 1 1 A 49 49 ILE C C 49 176.382 175.900 0.482 1
1 563 . 5 1 1 A 49 49 ILE CA C 49 61.321 60.434 0.887 1
1 564 . 5 1 1 A 49 49 ILE CB C 49 41.847 40.147 1.700 1
1 568 . 5 1 1 A 49 49 ILE N N 49 120.718 120.054 0.664 1
1 569 . 5 1 1 A 50 50 ASP H H 50 10.048 9.283 0.765 1
1 570 . 5 1 1 A 50 50 ASP HA H 50 4.522 4.266 0.256 1
1 573 . 5 1 1 A 50 50 ASP C C 50 176.193 175.141 1.052 1
1 574 . 5 1 1 A 50 50 ASP CA C 50 56.872 55.072 1.800 1
1 575 . 5 1 1 A 50 50 ASP CB C 50 40.754 40.035 0.719 1
1 576 . 5 1 1 A 50 50 ASP N N 50 130.256 127.829 2.427 1
1 577 . 5 1 1 A 51 51 GLY H H 51 9.048 8.404 0.644 1
1 578 . 5 1 1 A 51 51 GLY HA2 H 51 4.126 3.894 0.232 1
1 579 . 5 1 1 A 51 51 GLY HA3 H 51 3.660 3.901 -0.241 1
1 580 . 5 1 1 A 51 51 GLY C C 51 173.935 174.299 -0.364 1
1 581 . 5 1 1 A 51 51 GLY CA C 51 46.194 45.271 0.923 1
1 582 . 5 1 1 A 51 51 GLY N N 51 103.446 104.739 -1.293 1
1 583 . 5 1 1 A 52 52 LYS H H 52 7.905 7.471 0.434 1
1 584 . 5 1 1 A 52 52 LYS HA H 52 5.014 4.512 0.502 1
1 593 . 5 1 1 A 52 52 LYS CA C 52 53.809 53.434 0.375 1
1 594 . 5 1 1 A 52 52 LYS CB C 52 33.788 32.811 0.977 1
1 598 . 5 1 1 A 52 52 LYS N N 52 122.692 121.578 1.114 1
1 599 . 5 1 1 A 53 53 PRO HA H 53 5.523 5.214 0.309 1
1 606 . 5 1 1 A 53 53 PRO C C 53 176.300 176.733 -0.433 1
1 607 . 5 1 1 A 53 53 PRO CA C 53 62.896 62.731 0.165 1
1 608 . 5 1 1 A 53 53 PRO CB C 53 33.920 32.988 0.932 1
1 611 . 5 1 1 A 54 54 PHE H H 54 8.643 8.733 -0.090 1
1 612 . 5 1 1 A 54 54 PHE HA H 54 4.907 5.254 -0.347 1
1 620 . 5 1 1 A 54 54 PHE C C 54 172.840 173.011 -0.171 1
1 621 . 5 1 1 A 54 54 PHE CA C 54 57.173 56.204 0.969 1
1 622 . 5 1 1 A 54 54 PHE CB C 54 43.620 41.862 1.758 1
1 628 . 5 1 1 A 54 54 PHE N N 54 117.436 118.644 -1.208 1
1 629 . 5 1 1 A 55 55 SER H H 55 8.009 8.792 -0.783 1
1 630 . 5 1 1 A 55 55 SER HA H 55 4.822 5.033 -0.211 1
1 633 . 5 1 1 A 55 55 SER C C 55 172.856 172.607 0.249 1
1 634 . 5 1 1 A 55 55 SER CA C 55 58.238 57.384 0.854 1
1 635 . 5 1 1 A 55 55 SER CB C 55 66.163 65.550 0.613 1
1 636 . 5 1 1 A 55 55 SER N N 55 113.907 113.934 -0.027 1
1 637 . 5 1 1 A 56 56 ASP H H 56 9.593 8.918 0.675 1
1 638 . 5 1 1 A 56 56 ASP HA H 56 4.985 5.390 -0.405 1
1 641 . 5 1 1 A 56 56 ASP C C 56 175.049 174.769 0.280 1
1 642 . 5 1 1 A 56 56 ASP CA C 56 54.043 52.942 1.101 1
1 643 . 5 1 1 A 56 56 ASP CB C 56 46.425 45.362 1.063 1
1 644 . 5 1 1 A 56 56 ASP N N 56 125.145 125.416 -0.271 1
1 645 . 5 1 1 A 57 57 SER H H 57 10.207 8.768 1.439 1
1 646 . 5 1 1 A 57 57 SER HA H 57 5.383 5.394 -0.011 1
1 649 . 5 1 1 A 57 57 SER C C 57 172.452 173.281 -0.829 1
1 650 . 5 1 1 A 57 57 SER CA C 57 59.008 57.363 1.645 1
1 651 . 5 1 1 A 57 57 SER CB C 57 67.802 66.290 1.512 1
1 652 . 5 1 1 A 57 57 SER N N 57 115.172 113.877 1.295 1
1 653 . 5 1 1 A 58 58 PHE H H 58 8.623 8.587 0.036 1
1 654 . 5 1 1 A 58 58 PHE HA H 58 4.904 5.793 -0.889 1
1 662 . 5 1 1 A 58 58 PHE C C 58 172.447 173.152 -0.705 1
1 663 . 5 1 1 A 58 58 PHE CA C 58 57.781 55.310 2.471 1
1 664 . 5 1 1 A 58 58 PHE CB C 58 40.736 42.859 -2.123 1
1 670 . 5 1 1 A 58 58 PHE N N 58 115.065 118.396 -3.331 1
1 671 . 5 1 1 A 59 59 GLU H H 59 8.721 9.080 -0.359 1
1 672 . 5 1 1 A 59 59 GLU HA H 59 5.595 5.581 0.014 1
1 677 . 5 1 1 A 59 59 GLU C C 59 175.836 175.888 -0.052 1
1 678 . 5 1 1 A 59 59 GLU CA C 59 55.290 54.974 0.316 1
1 679 . 5 1 1 A 59 59 GLU CB C 59 34.345 33.302 1.043 1
1 681 . 5 1 1 A 59 59 GLU N N 59 118.122 120.041 -1.919 1
1 682 . 5 1 1 A 60 60 LEU H H 60 9.016 8.972 0.044 1
1 683 . 5 1 1 A 60 60 LEU HA H 60 5.221 5.041 0.180 1
1 693 . 5 1 1 A 60 60 LEU CA C 60 52.275 51.244 1.031 1
1 694 . 5 1 1 A 60 60 LEU CB C 60 46.774 45.794 0.980 1
1 698 . 5 1 1 A 60 60 LEU N N 60 121.299 122.911 -1.612 1
1 699 . 5 1 1 A 61 61 PRO HA H 61 4.614 4.679 -0.065 1
1 706 . 5 1 1 A 61 61 PRO C C 61 176.316 177.929 -1.613 1
1 707 . 5 1 1 A 61 61 PRO CA C 61 62.719 62.817 -0.098 1
1 708 . 5 1 1 A 61 61 PRO CB C 61 33.758 32.669 1.089 1
1 711 . 5 1 1 A 62 62 ARG H H 62 8.017 8.260 -0.243 1
1 712 . 5 1 1 A 62 62 ARG HA H 62 3.738 3.944 -0.206 1
1 719 . 5 1 1 A 62 62 ARG C C 62 176.976 177.860 -0.884 1
1 720 . 5 1 1 A 62 62 ARG CA C 62 60.653 59.232 1.421 1
1 721 . 5 1 1 A 62 62 ARG CB C 62 31.549 29.715 1.834 1
1 724 . 5 1 1 A 62 62 ARG N N 62 118.159 123.472 -5.313 1
1 725 . 5 1 1 A 63 63 ASP H H 63 8.665 7.820 0.845 1
1 726 . 5 1 1 A 63 63 ASP HA H 63 4.484 4.594 -0.110 1
1 729 . 5 1 1 A 63 63 ASP C C 63 177.483 176.880 0.603 1
1 730 . 5 1 1 A 63 63 ASP CA C 63 57.335 56.234 1.101 1
1 731 . 5 1 1 A 63 63 ASP CB C 63 41.410 40.859 0.551 1
1 732 . 5 1 1 A 63 63 ASP N N 63 113.726 119.942 -6.216 1
1 733 . 5 1 1 A 64 64 THR H H 64 7.553 7.740 -0.187 1
1 734 . 5 1 1 A 64 64 THR HA H 64 4.562 4.808 -0.246 1
1 739 . 5 1 1 A 64 64 THR C C 64 175.654 175.337 0.317 1
1 740 . 5 1 1 A 64 64 THR CA C 64 61.499 60.802 0.697 1
1 741 . 5 1 1 A 64 64 THR CB C 64 69.606 69.434 0.172 1
1 743 . 5 1 1 A 64 64 THR N N 64 107.855 105.796 2.059 1
1 744 . 5 1 1 A 65 65 ALA H H 65 7.406 7.630 -0.224 1
1 745 . 5 1 1 A 65 65 ALA HA H 65 4.012 4.254 -0.242 1
1 749 . 5 1 1 A 65 65 ALA C C 65 176.820 179.637 -2.817 1
1 750 . 5 1 1 A 65 65 ALA CA C 65 55.939 54.909 1.030 1
1 751 . 5 1 1 A 65 65 ALA CB C 65 19.454 18.509 0.945 1
1 752 . 5 1 1 A 65 65 ALA N N 65 123.777 125.670 -1.893 1
1 753 . 5 1 1 A 66 66 PHE H H 66 7.583 7.657 -0.074 1
1 754 . 5 1 1 A 66 66 PHE HA H 66 4.381 4.859 -0.478 1
1 762 . 5 1 1 A 66 66 PHE C C 66 176.104 177.555 -1.451 1
1 763 . 5 1 1 A 66 66 PHE CA C 66 58.836 61.344 -2.508 1
1 764 . 5 1 1 A 66 66 PHE CB C 66 37.740 38.197 -0.457 1
1 770 . 5 1 1 A 66 66 PHE N N 66 110.346 115.955 -5.609 1
1 771 . 5 1 1 A 67 67 ASN H H 67 7.984 8.432 -0.448 1
1 772 . 5 1 1 A 67 67 ASN HA H 67 4.848 4.791 0.057 1
1 777 . 5 1 1 A 67 67 ASN C C 67 175.700 176.952 -1.252 1
1 778 . 5 1 1 A 67 67 ASN CA C 67 53.469 53.960 -0.491 1
1 779 . 5 1 1 A 67 67 ASN CB C 67 38.836 38.644 0.192 1
1 780 . 5 1 1 A 67 67 ASN N N 67 120.591 119.086 1.505 1
1 782 . 5 1 1 A 68 68 PHE H H 68 7.218 8.067 -0.849 1
1 783 . 5 1 1 A 68 68 PHE HA H 68 4.054 4.333 -0.279 1
1 790 . 5 1 1 A 68 68 PHE C C 68 174.796 177.017 -2.221 1
1 791 . 5 1 1 A 68 68 PHE CA C 68 60.849 59.498 1.351 1
1 792 . 5 1 1 A 68 68 PHE CB C 68 40.263 37.177 3.086 1
1 797 . 5 1 1 A 68 68 PHE N N 68 115.915 119.001 -3.086 1
1 798 . 5 1 1 A 69 69 ALA H H 69 7.780 7.614 0.166 1
1 799 . 5 1 1 A 69 69 ALA HA H 69 3.484 3.460 0.024 1
1 803 . 5 1 1 A 69 69 ALA C C 69 180.022 179.217 0.805 1
1 804 . 5 1 1 A 69 69 ALA CA C 69 56.283 54.394 1.889 1
1 805 . 5 1 1 A 69 69 ALA CB C 69 18.935 17.932 1.003 1
1 806 . 5 1 1 A 69 69 ALA N N 69 124.604 123.594 1.010 1
1 807 . 5 1 1 A 70 70 SER H H 70 7.852 7.660 0.192 1
1 808 . 5 1 1 A 70 70 SER HA H 70 4.061 3.951 0.110 1
1 811 . 5 1 1 A 70 70 SER C C 70 177.054 175.961 1.093 1
1 812 . 5 1 1 A 70 70 SER CA C 70 62.085 61.322 0.763 1
1 813 . 5 1 1 A 70 70 SER CB C 70 62.976 62.879 0.097 1
1 814 . 5 1 1 A 70 70 SER N N 70 114.973 113.376 1.597 1
1 815 . 5 1 1 A 71 71 ASP H H 71 7.602 7.645 -0.043 1
1 816 . 5 1 1 A 71 71 ASP HA H 71 4.012 4.159 -0.147 1
1 819 . 5 1 1 A 71 71 ASP C C 71 177.086 177.772 -0.686 1
1 820 . 5 1 1 A 71 71 ASP CA C 71 58.501 56.840 1.661 1
1 821 . 5 1 1 A 71 71 ASP CB C 71 42.006 40.816 1.190 1
1 822 . 5 1 1 A 71 71 ASP N N 71 123.211 121.803 1.408 1
1 823 . 5 1 1 A 72 72 ALA H H 72 8.406 8.172 0.234 1
1 824 . 5 1 1 A 72 72 ALA HA H 72 3.671 4.152 -0.481 1
1 828 . 5 1 1 A 72 72 ALA C C 72 179.377 179.673 -0.296 1
1 829 . 5 1 1 A 72 72 ALA CA C 72 55.717 55.209 0.508 1
1 830 . 5 1 1 A 72 72 ALA CB C 72 18.658 18.749 -0.091 1
1 831 . 5 1 1 A 72 72 ALA N N 72 119.793 121.255 -1.462 1
1 832 . 5 1 1 A 73 73 THR H H 73 7.631 7.799 -0.168 1
1 833 . 5 1 1 A 73 73 THR HA H 73 3.562 3.908 -0.346 1
1 838 . 5 1 1 A 73 73 THR C C 73 175.072 176.239 -1.167 1
1 839 . 5 1 1 A 73 73 THR CA C 73 68.525 66.819 1.706 1
1 840 . 5 1 1 A 73 73 THR CB C 73 69.564 68.543 1.021 1
1 842 . 5 1 1 A 73 73 THR N N 73 114.702 114.900 -0.198 1
1 843 . 5 1 1 A 74 74 ARG H H 74 7.629 8.012 -0.383 1
1 844 . 5 1 1 A 74 74 ARG HA H 74 3.795 4.017 -0.222 1
1 851 . 5 1 1 A 74 74 ARG C C 74 176.832 178.327 -1.495 1
1 852 . 5 1 1 A 74 74 ARG CA C 74 60.580 58.995 1.585 1
1 853 . 5 1 1 A 74 74 ARG CB C 74 30.409 29.745 0.664 1
1 856 . 5 1 1 A 74 74 ARG N N 74 122.528 120.838 1.690 1
1 857 . 5 1 1 A 75 75 VAL H H 75 8.008 8.078 -0.070 1
1 858 . 5 1 1 A 75 75 VAL HA H 75 3.439 3.831 -0.392 1
1 866 . 5 1 1 A 75 75 VAL C C 75 177.802 177.511 0.291 1
1 867 . 5 1 1 A 75 75 VAL CA C 75 67.492 64.646 2.846 1
1 868 . 5 1 1 A 75 75 VAL CB C 75 32.220 31.468 0.752 1
1 871 . 5 1 1 A 75 75 VAL N N 75 120.044 118.790 1.254 1
1 872 . 5 1 1 A 76 76 ALA H H 76 8.092 7.989 0.103 1
1 873 . 5 1 1 A 76 76 ALA HA H 76 3.537 4.041 -0.504 1
1 877 . 5 1 1 A 76 76 ALA C C 76 180.078 180.200 -0.122 1
1 878 . 5 1 1 A 76 76 ALA CA C 76 56.194 55.436 0.758 1
1 879 . 5 1 1 A 76 76 ALA CB C 76 18.882 17.967 0.915 1
1 880 . 5 1 1 A 76 76 ALA N N 76 120.726 123.875 -3.149 1
1 881 . 5 1 1 A 77 77 GLN H H 77 8.432 8.130 0.302 1
1 882 . 5 1 1 A 77 77 GLN HA H 77 4.428 4.059 0.369 1
1 885 . 5 1 1 A 77 77 GLN CA C 77 58.987 58.346 0.641 1
1 887 . 5 1 1 A 77 77 GLN N N 77 118.235 118.411 -0.176 1
1 888 . 5 1 1 A 78 78 LYS H H 78 7.655 8.064 -0.409 1
1 889 . 5 1 1 A 78 78 LYS HA H 78 3.874 4.130 -0.256 1
1 898 . 5 1 1 A 78 78 LYS C C 78 177.044 177.678 -0.634 1
1 899 . 5 1 1 A 78 78 LYS CA C 78 59.393 57.939 1.454 1
1 900 . 5 1 1 A 78 78 LYS CB C 78 32.583 31.922 0.661 1
1 904 . 5 1 1 A 78 78 LYS N N 78 121.797 117.963 3.834 1
1 905 . 5 1 1 A 79 79 HIS H H 79 6.888 7.612 -0.724 1
1 906 . 5 1 1 A 79 79 HIS HA H 79 4.501 4.546 -0.045 1
1 909 . 5 1 1 A 79 79 HIS C C 79 174.191 175.093 -0.902 1
1 910 . 5 1 1 A 79 79 HIS CA C 79 56.166 56.062 0.104 1
1 911 . 5 1 1 A 79 79 HIS CB C 79 30.993 29.930 1.063 1
1 912 . 5 1 1 A 79 79 HIS N N 79 115.368 115.268 0.100 1
1 913 . 5 1 1 A 80 80 GLY H H 80 7.159 7.726 -0.567 1
1 914 . 5 1 1 A 80 80 GLY HA2 H 80 4.433 3.800 0.633 1
1 915 . 5 1 1 A 80 80 GLY HA3 H 80 3.541 3.853 -0.312 1
1 916 . 5 1 1 A 80 80 GLY C C 80 175.246 174.573 0.673 1
1 917 . 5 1 1 A 80 80 GLY CA C 80 45.823 46.666 -0.843 1
1 918 . 5 1 1 A 80 80 GLY N N 80 104.319 108.422 -4.103 1
1 919 . 5 1 1 A 81 81 LEU H H 81 7.962 7.636 0.326 1
1 920 . 5 1 1 A 81 81 LEU HA H 81 4.012 4.680 -0.668 1
1 930 . 5 1 1 A 81 81 LEU CA C 81 56.383 53.351 3.032 1
1 931 . 5 1 1 A 81 81 LEU CB C 81 43.506 43.704 -0.198 1
1 935 . 5 1 1 A 81 81 LEU N N 81 124.945 120.992 3.953 1
1 936 . 5 1 1 A 83 83 PRO HA H 83 4.248 4.346 -0.098 1
1 943 . 5 1 1 A 83 83 PRO CA C 83 65.606 64.469 1.137 1
1 944 . 5 1 1 A 83 83 PRO CB C 83 32.805 31.822 0.983 1
1 947 . 5 1 1 A 84 84 LYS HA H 84 4.132 4.070 0.062 1
1 956 . 5 1 1 A 84 84 LYS CA C 84 59.351 59.494 -0.143 1
1 957 . 5 1 1 A 84 84 LYS CB C 84 33.109 32.138 0.971 1
1 961 . 5 1 1 A 85 85 PHE HA H 85 3.941 4.219 -0.278 1
1 964 . 5 1 1 A 85 85 PHE CA C 85 59.693 60.354 -0.661 1
1 965 . 5 1 1 A 85 85 PHE CB C 85 39.968 39.789 0.179 1
1 966 . 5 1 1 A 86 86 GLY HA2 H 86 3.721 3.936 -0.215 1
1 967 . 5 1 1 A 86 86 GLY HA3 H 86 3.659 4.005 -0.346 1
1 968 . 5 1 1 A 86 86 GLY CA C 86 44.471 44.299 0.172 1
1 969 . 5 1 1 A 87 87 ALA HA H 87 4.274 4.652 -0.378 1
1 973 . 5 1 1 A 87 87 ALA CA C 87 53.390 51.436 1.954 1
1 974 . 5 1 1 A 87 87 ALA CB C 87 20.262 19.666 0.596 1
1 975 . 5 1 1 A 88 88 ILE HA H 88 4.015 4.260 -0.245 1
1 985 . 5 1 1 A 88 88 ILE CA C 88 63.697 63.660 0.037 1
1 986 . 5 1 1 A 88 88 ILE CB C 88 38.931 38.867 0.064 1
1 990 . 5 1 1 A 89 89 THR HA H 89 4.224 4.258 -0.034 1
1 994 . 5 1 1 A 89 89 THR CA C 89 63.088 64.551 -1.463 1
1 996 . 5 1 1 A 90 90 ARG HA H 90 4.105 4.517 -0.412 1
1 1003 . 5 1 1 A 90 90 ARG CA C 90 58.412 55.189 3.223 1
1 1004 . 5 1 1 A 90 90 ARG CB C 90 30.907 29.078 1.829 1
1 1007 . 5 1 1 A 91 91 VAL HA H 91 4.047 4.351 -0.304 1
1 1015 . 5 1 1 A 91 91 VAL C C 91 175.627 175.564 0.063 1
1 1016 . 5 1 1 A 91 91 VAL CA C 91 62.923 62.773 0.150 1
1 1017 . 5 1 1 A 91 91 VAL CB C 91 32.060 30.849 1.211 1
1 1020 . 5 1 1 A 92 92 HIS HA H 92 4.567 4.603 -0.036 1
1 1023 . 5 1 1 A 92 92 HIS CA C 92 57.021 55.836 1.185 1
1 1024 . 5 1 1 A 92 92 HIS CB C 92 31.579 29.989 1.590 1
1 1025 . 5 1 1 A 93 93 LYS H H 93 8.490 8.550 -0.060 1
1 1026 . 5 1 1 A 93 93 LYS HA H 93 4.149 4.128 0.021 1
1 1035 . 5 1 1 A 93 93 LYS CA C 93 58.472 58.042 0.430 1
1 1036 . 5 1 1 A 93 93 LYS CB C 93 32.632 31.863 0.769 1
1 1040 . 5 1 1 A 93 93 LYS N N 93 123.001 120.963 2.038 1
1 1041 . 5 1 1 A 94 94 GLU HA H 94 4.265 4.060 0.205 1
1 1046 . 5 1 1 A 94 94 GLU CA C 94 57.682 58.978 -1.296 1
1 1047 . 5 1 1 A 94 94 GLU CB C 94 30.952 29.649 1.303 1
1 1049 . 5 1 1 A 95 95 TYR HA H 95 4.205 4.129 0.076 1
1 1056 . 5 1 1 A 95 95 TYR C C 95 176.555 177.175 -0.620 1
1 1057 . 5 1 1 A 95 95 TYR CA C 95 60.582 60.741 -0.159 1
1 1058 . 5 1 1 A 95 95 TYR CB C 95 39.000 38.212 0.788 1
1 1063 . 5 1 1 A 96 96 ASP H H 96 8.104 8.229 -0.125 1
1 1064 . 5 1 1 A 96 96 ASP HA H 96 4.252 3.971 0.281 1
1 1067 . 5 1 1 A 96 96 ASP CA C 96 58.583 57.135 1.448 1
1 1068 . 5 1 1 A 96 96 ASP CB C 96 41.058 40.099 0.959 1
1 1069 . 5 1 1 A 96 96 ASP N N 96 120.068 118.618 1.450 1
1 1070 . 5 1 1 A 97 97 ALA HA H 97 3.964 4.149 -0.185 1
1 1074 . 5 1 1 A 97 97 ALA C C 97 179.912 179.374 0.538 1
1 1075 . 5 1 1 A 97 97 ALA CA C 97 55.582 55.328 0.254 1
1 1076 . 5 1 1 A 97 97 ALA CB C 97 18.849 18.403 0.446 1
1 1077 . 5 1 1 A 98 98 MET H H 98 7.422 7.990 -0.568 1
1 1078 . 5 1 1 A 98 98 MET HA H 98 3.847 4.507 -0.660 1
1 1083 . 5 1 1 A 98 98 MET C C 98 177.185 178.370 -1.185 1
1 1084 . 5 1 1 A 98 98 MET CA C 98 59.943 58.283 1.660 1
1 1085 . 5 1 1 A 98 98 MET CB C 98 32.583 32.188 0.395 1
1 1087 . 5 1 1 A 98 98 MET N N 98 120.651 118.951 1.700 1
1 1088 . 5 1 1 A 99 99 PHE H H 99 8.652 8.858 -0.206 1
1 1089 . 5 1 1 A 99 99 PHE HA H 99 4.150 4.235 -0.085 1
1 1097 . 5 1 1 A 99 99 PHE C C 99 177.911 177.598 0.313 1
1 1098 . 5 1 1 A 99 99 PHE CA C 99 61.936 61.924 0.012 1
1 1099 . 5 1 1 A 99 99 PHE CB C 99 39.302 39.009 0.293 1
1 1105 . 5 1 1 A 99 99 PHE N N 99 119.857 120.740 -0.883 1
1 1106 . 5 1 1 A 100 100 GLU H H 100 8.232 7.915 0.317 1
1 1107 . 5 1 1 A 100 100 GLU HA H 100 4.094 3.990 0.104 1
1 1112 . 5 1 1 A 100 100 GLU CA C 100 59.579 59.309 0.270 1
1 1113 . 5 1 1 A 100 100 GLU CB C 100 29.878 28.726 1.152 1
1 1115 . 5 1 1 A 100 100 GLU N N 100 117.666 118.822 -1.156 1
1 1116 . 5 1 1 A 101 101 ASP HA H 101 4.568 4.435 0.133 1
1 1119 . 5 1 1 A 101 101 ASP C C 101 177.667 178.530 -0.863 1
1 1120 . 5 1 1 A 101 101 ASP CA C 101 58.940 58.089 0.851 1
1 1121 . 5 1 1 A 101 101 ASP CB C 101 43.462 41.889 1.573 1
1 1122 . 5 1 1 A 102 102 ILE H H 102 8.370 8.214 0.156 1
1 1123 . 5 1 1 A 102 102 ILE HA H 102 3.319 3.634 -0.315 1
1 1133 . 5 1 1 A 102 102 ILE C C 102 177.347 178.389 -1.042 1
1 1134 . 5 1 1 A 102 102 ILE CA C 102 67.567 65.219 2.348 1
1 1135 . 5 1 1 A 102 102 ILE CB C 102 38.766 37.678 1.088 1
1 1139 . 5 1 1 A 102 102 ILE N N 102 118.449 119.387 -0.938 1
1 1140 . 5 1 1 A 103 103 ARG H H 103 8.450 8.206 0.244 1
1 1141 . 5 1 1 A 103 103 ARG HA H 103 3.834 4.244 -0.410 1
1 1148 . 5 1 1 A 103 103 ARG C C 103 178.760 178.363 0.397 1
1 1149 . 5 1 1 A 103 103 ARG CA C 103 61.318 58.621 2.697 1
1 1150 . 5 1 1 A 103 103 ARG CB C 103 30.978 29.814 1.164 1
1 1153 . 5 1 1 A 103 103 ARG N N 103 118.941 120.506 -1.565 1
1 1154 . 5 1 1 A 104 104 ALA H H 104 8.289 7.781 0.508 1
1 1155 . 5 1 1 A 104 104 ALA HA H 104 4.072 4.104 -0.032 1
1 1159 . 5 1 1 A 104 104 ALA C C 104 181.340 179.344 1.996 1
1 1160 . 5 1 1 A 104 104 ALA CA C 104 56.021 55.246 0.775 1
1 1161 . 5 1 1 A 104 104 ALA CB C 104 18.962 18.141 0.821 1
1 1162 . 5 1 1 A 104 104 ALA N N 104 121.028 122.310 -1.282 1
1 1163 . 5 1 1 A 105 105 LYS H H 105 8.231 7.812 0.419 1
1 1164 . 5 1 1 A 105 105 LYS HA H 105 4.013 4.074 -0.061 1
1 1173 . 5 1 1 A 105 105 LYS C C 105 179.414 178.868 0.546 1
1 1174 . 5 1 1 A 105 105 LYS CA C 105 60.025 59.109 0.916 1
1 1175 . 5 1 1 A 105 105 LYS CB C 105 34.341 31.972 2.369 1
1 1179 . 5 1 1 A 105 105 LYS N N 105 118.789 118.721 0.068 1
1 1180 . 5 1 1 A 106 106 LEU H H 106 8.289 8.473 -0.184 1
1 1181 . 5 1 1 A 106 106 LEU HA H 106 4.043 4.115 -0.072 1
1 1191 . 5 1 1 A 106 106 LEU C C 106 178.091 177.813 0.278 1
1 1192 . 5 1 1 A 106 106 LEU CA C 106 57.469 57.202 0.267 1
1 1193 . 5 1 1 A 106 106 LEU CB C 106 43.248 41.457 1.791 1
1 1197 . 5 1 1 A 106 106 LEU N N 106 119.086 119.223 -0.137 1
1 1198 . 5 1 1 A 107 107 HIS H H 107 7.861 7.721 0.140 1
1 1199 . 5 1 1 A 107 107 HIS HA H 107 4.428 4.372 0.056 1
1 1203 . 5 1 1 A 107 107 HIS C C 107 175.263 175.179 0.084 1
1 1204 . 5 1 1 A 107 107 HIS CA C 107 58.218 58.425 -0.207 1
1 1205 . 5 1 1 A 107 107 HIS CB C 107 30.819 30.545 0.274 1
1 1207 . 5 1 1 A 107 107 HIS N N 107 118.172 119.344 -1.172 1
1 1208 . 5 1 1 A 108 108 ALA H H 108 7.505 7.761 -0.256 1
1 1209 . 5 1 1 A 108 108 ALA HA H 108 4.218 3.840 0.378 1
1 1213 . 5 1 1 A 108 108 ALA C C 108 179.374 176.699 2.675 1
1 1214 . 5 1 1 A 108 108 ALA CA C 108 53.303 54.958 -1.655 1
1 1215 . 5 1 1 A 108 108 ALA CB C 108 20.005 17.830 2.175 1
1 1216 . 5 1 1 A 108 108 ALA N N 108 121.363 120.688 0.675 1
1 1217 . 5 1 1 A 109 109 HIS H H 109 7.987 8.249 -0.262 1
1 1218 . 5 1 1 A 109 109 HIS HA H 109 4.770 4.670 0.100 1
1 1221 . 5 1 1 A 109 109 HIS CA C 109 55.217 54.822 0.395 1
1 1222 . 5 1 1 A 109 109 HIS CB C 109 31.250 29.475 1.775 1
1 1223 . 5 1 1 A 109 109 HIS N N 109 120.133 116.935 3.198 1
1 1224 . 5 1 1 A 110 110 PRO HA H 110 4.368 4.651 -0.283 1
1 1231 . 5 1 1 A 110 110 PRO C C 110 177.350 177.150 0.200 1
1 1232 . 5 1 1 A 110 110 PRO CA C 110 64.430 62.277 2.153 1
1 1233 . 5 1 1 A 110 110 PRO CB C 110 32.912 29.347 3.565 1
1 1236 . 5 1 1 A 111 111 GLY H H 111 8.492 8.737 -0.245 1
1 1237 . 5 1 1 A 111 111 GLY HA2 H 111 3.925 3.979 -0.054 1
1 1238 . 5 1 1 A 111 111 GLY HA3 H 111 3.925 3.981 -0.056 1
1 1239 . 5 1 1 A 111 111 GLY C C 111 173.681 173.844 -0.163 1
1 1240 . 5 1 1 A 111 111 GLY CA C 111 45.831 46.285 -0.454 1
1 1241 . 5 1 1 A 111 111 GLY N N 111 109.622 110.514 -0.892 1
1 1242 . 5 1 1 A 112 112 GLU H H 112 8.139 7.706 0.433 1
1 1243 . 5 1 1 A 112 112 GLU HA H 112 4.573 4.755 -0.182 1
1 1248 . 5 1 1 A 112 112 GLU CA C 112 55.099 53.069 2.030 1
1 1249 . 5 1 1 A 112 112 GLU CB C 112 30.664 30.985 -0.321 1
1 1251 . 5 1 1 A 112 112 GLU N N 112 121.771 119.329 2.442 1
1 1252 . 5 1 1 A 113 113 PRO HA H 113 4.411 4.756 -0.345 1
1 1259 . 5 1 1 A 113 113 PRO C C 113 176.943 176.467 0.476 1
1 1260 . 5 1 1 A 113 113 PRO CA C 113 63.990 62.651 1.339 1
1 1261 . 5 1 1 A 113 113 PRO CB C 113 32.817 31.647 1.170 1
1 1264 . 5 1 1 A 114 114 VAL H H 114 8.226 8.381 -0.155 1
1 1265 . 5 1 1 A 114 114 VAL HA H 114 4.036 4.066 -0.030 1
1 1273 . 5 1 1 A 114 114 VAL C C 114 175.708 176.858 -1.150 1
1 1274 . 5 1 1 A 114 114 VAL CA C 114 63.021 62.572 0.449 1
1 1275 . 5 1 1 A 114 114 VAL CB C 114 33.996 32.288 1.708 1
1 1278 . 5 1 1 A 114 114 VAL N N 114 120.138 122.610 -2.472 1
1 1279 . 5 1 1 A 115 115 ASP H H 115 8.313 9.045 -0.732 1
1 1280 . 5 1 1 A 115 115 ASP HA H 115 4.587 4.763 -0.176 1
1 1283 . 5 1 1 A 115 115 ASP C C 115 176.361 177.569 -1.208 1
1 1284 . 5 1 1 A 115 115 ASP CA C 115 54.760 54.612 0.148 1
1 1285 . 5 1 1 A 115 115 ASP CB C 115 41.888 40.812 1.076 1
1 1286 . 5 1 1 A 115 115 ASP N N 115 123.840 130.678 -6.838 1
1 1287 . 5 1 1 A 116 116 LEU H H 116 8.202 7.929 0.273 1
1 1288 . 5 1 1 A 116 116 LEU HA H 116 4.168 4.052 0.116 1
1 1298 . 5 1 1 A 116 116 LEU C C 116 177.811 179.011 -1.200 1
1 1299 . 5 1 1 A 116 116 LEU CA C 116 56.696 57.849 -1.153 1
1 1300 . 5 1 1 A 116 116 LEU CB C 116 43.084 41.587 1.497 1
1 1304 . 5 1 1 A 116 116 LEU N N 116 123.362 119.045 4.317 1
1 1305 . 5 1 1 A 117 117 GLU H H 117 8.311 8.280 0.031 1
1 1306 . 5 1 1 A 117 117 GLU HA H 117 4.141 4.060 0.081 1
1 1311 . 5 1 1 A 117 117 GLU C C 117 176.687 178.404 -1.717 1
1 1312 . 5 1 1 A 117 117 GLU CA C 117 57.937 59.178 -1.241 1
1 1313 . 5 1 1 A 117 117 GLU CB C 117 30.685 29.326 1.359 1
1 1315 . 5 1 1 A 117 117 GLU N N 117 119.881 118.888 0.993 1
1 1316 . 5 1 1 A 118 118 ARG H H 118 7.930 8.009 -0.079 1
1 1317 . 5 1 1 A 118 118 ARG HA H 118 4.223 4.136 0.087 1
1 1324 . 5 1 1 A 118 118 ARG C C 118 176.125 178.483 -2.358 1
1 1325 . 5 1 1 A 118 118 ARG CA C 118 57.133 58.376 -1.243 1
1 1326 . 5 1 1 A 118 118 ARG CB C 118 31.445 29.998 1.447 1
1 1329 . 5 1 1 A 118 118 ARG N N 118 120.580 119.800 0.780 1
1 1330 . 5 1 1 A 119 119 ILE H H 119 7.926 7.699 0.227 1
1 1331 . 5 1 1 A 119 119 ILE HA H 119 4.041 3.993 0.048 1
1 1341 . 5 1 1 A 119 119 ILE C C 119 176.166 176.040 0.126 1
1 1342 . 5 1 1 A 119 119 ILE CA C 119 62.131 62.237 -0.106 1
1 1343 . 5 1 1 A 119 119 ILE CB C 119 39.327 38.183 1.144 1
1 1347 . 5 1 1 A 119 119 ILE N N 119 121.721 117.181 4.540 1
1 1348 . 5 1 1 A 120 120 ILE H H 120 8.152 7.702 0.450 1
1 1349 . 5 1 1 A 120 120 ILE HA H 120 4.038 4.058 -0.020 1
1 1359 . 5 1 1 A 120 120 ILE C C 120 175.922 175.587 0.335 1
1 1360 . 5 1 1 A 120 120 ILE CA C 120 61.812 61.944 -0.132 1
1 1361 . 5 1 1 A 120 120 ILE CB C 120 39.091 36.583 2.508 1
1 1365 . 5 1 1 A 120 120 ILE N N 120 125.274 120.097 5.177 1
1 1366 . 5 1 1 A 121 121 ARG H H 121 8.266 8.450 -0.184 1
1 1367 . 5 1 1 A 121 121 ARG HA H 121 4.293 4.758 -0.465 1
1 1374 . 5 1 1 A 121 121 ARG CA C 121 56.489 55.444 1.045 1
1 1375 . 5 1 1 A 121 121 ARG CB C 121 31.785 31.337 0.448 1
1 1378 . 5 1 1 A 121 121 ARG N N 121 125.412 123.454 1.958 1
1 1379 . 5 1 1 A 122 122 HIS HA H 122 5.066 4.609 0.457 1
1 1383 . 5 1 1 A 122 122 HIS C C 122 175.210 175.184 0.026 1
1 1384 . 5 1 1 A 122 122 HIS CA C 122 56.554 57.365 -0.811 1
1 1385 . 5 1 1 A 122 122 HIS CB C 122 32.905 30.929 1.976 1
1 1387 . 5 1 1 A 123 123 GLU H H 123 8.936 8.811 0.125 1
1 1388 . 5 1 1 A 123 123 GLU N N 123 121.008 123.637 -2.629 1
1 1389 . 5 1 1 A 124 124 GLY HA2 H 124 3.984 3.995 -0.011 1
1 1390 . 5 1 1 A 124 124 GLY HA3 H 124 3.913 4.006 -0.093 1
1 1391 . 5 1 1 A 124 124 GLY C C 124 173.408 171.608 1.800 1
1 1392 . 5 1 1 A 124 124 GLY CA C 124 46.124 45.398 0.726 1
1 10 . 6 1 1 A 2 2 GLY H H 2 8.402 8.328 0.074 1
1 11 . 6 1 1 A 2 2 GLY HA2 H 2 3.903 4.161 -0.258 1
1 12 . 6 1 1 A 2 2 GLY HA3 H 2 3.903 4.197 -0.294 1
1 13 . 6 1 1 A 2 2 GLY C C 2 172.919 171.541 1.378 1
1 14 . 6 1 1 A 2 2 GLY CA C 2 45.814 45.635 0.179 1
1 15 . 6 1 1 A 2 2 GLY N N 2 110.769 109.792 0.977 1
1 16 . 6 1 1 A 3 3 HIS H H 3 8.198 8.581 -0.383 1
1 17 . 6 1 1 A 3 3 HIS N N 3 120.514 118.706 1.808 1
1 18 . 6 1 1 A 4 4 MET HA H 4 4.688 5.227 -0.539 1
1 26 . 6 1 1 A 4 4 MET CA C 4 56.462 53.806 2.656 1
1 27 . 6 1 1 A 4 4 MET CB C 4 35.293 36.351 -1.058 1
1 30 . 6 1 1 A 5 5 PHE H H 5 8.690 8.962 -0.272 1
1 31 . 6 1 1 A 5 5 PHE HA H 5 5.254 4.743 0.511 1
1 39 . 6 1 1 A 5 5 PHE C C 5 173.490 174.821 -1.331 1
1 40 . 6 1 1 A 5 5 PHE CA C 5 58.548 58.475 0.073 1
1 41 . 6 1 1 A 5 5 PHE CB C 5 43.312 39.847 3.465 1
1 47 . 6 1 1 A 5 5 PHE N N 5 123.462 123.807 -0.345 1
1 48 . 6 1 1 A 6 6 GLU H H 6 7.963 8.842 -0.879 1
1 49 . 6 1 1 A 6 6 GLU HA H 6 4.182 4.622 -0.440 1
1 54 . 6 1 1 A 6 6 GLU CA C 6 53.572 53.238 0.334 1
1 55 . 6 1 1 A 6 6 GLU CB C 6 31.259 32.799 -1.540 1
1 57 . 6 1 1 A 6 6 GLU N N 6 127.826 124.231 3.595 1
1 58 . 6 1 1 A 7 7 PRO HA H 7 3.783 4.251 -0.468 1
1 65 . 6 1 1 A 7 7 PRO C C 7 177.433 177.350 0.083 1
1 66 . 6 1 1 A 7 7 PRO CA C 7 66.503 63.771 2.732 1
1 67 . 6 1 1 A 7 7 PRO CB C 7 31.785 31.321 0.464 1
1 70 . 6 1 1 A 8 8 GLY H H 8 7.537 8.655 -1.118 1
1 71 . 6 1 1 A 8 8 GLY HA2 H 8 3.896 3.448 0.448 1
1 72 . 6 1 1 A 8 8 GLY HA3 H 8 2.085 3.737 -1.652 1
1 73 . 6 1 1 A 8 8 GLY C C 8 174.730 172.842 1.888 1
1 74 . 6 1 1 A 8 8 GLY CA C 8 46.895 44.860 2.035 1
1 75 . 6 1 1 A 8 8 GLY N N 8 111.178 112.564 -1.386 1
1 76 . 6 1 1 A 9 9 HIS H H 9 9.112 7.579 1.533 1
1 77 . 6 1 1 A 9 9 HIS HA H 9 5.699 5.041 0.658 1
1 81 . 6 1 1 A 9 9 HIS C C 9 170.886 172.637 -1.751 1
1 82 . 6 1 1 A 9 9 HIS CA C 9 55.252 55.479 -0.227 1
1 83 . 6 1 1 A 9 9 HIS CB C 9 32.029 33.153 -1.124 1
1 85 . 6 1 1 A 9 9 HIS N N 9 122.719 119.306 3.413 1
1 86 . 6 1 1 A 10 10 LEU H H 10 9.637 9.019 0.618 1
1 87 . 6 1 1 A 10 10 LEU HA H 10 5.198 5.318 -0.120 1
1 97 . 6 1 1 A 10 10 LEU C C 10 173.565 174.680 -1.115 1
1 98 . 6 1 1 A 10 10 LEU CA C 10 54.377 53.817 0.560 1
1 99 . 6 1 1 A 10 10 LEU CB C 10 46.916 45.274 1.642 1
1 103 . 6 1 1 A 10 10 LEU N N 10 130.516 129.898 0.618 1
1 104 . 6 1 1 A 11 11 HIS H H 11 9.237 8.878 0.359 1
1 105 . 6 1 1 A 11 11 HIS HA H 11 5.478 5.666 -0.188 1
1 109 . 6 1 1 A 11 11 HIS C C 11 173.559 173.233 0.326 1
1 110 . 6 1 1 A 11 11 HIS CA C 11 53.302 53.622 -0.320 1
1 111 . 6 1 1 A 11 11 HIS CB C 11 34.638 33.101 1.537 1
1 113 . 6 1 1 A 11 11 HIS N N 11 128.715 126.031 2.684 1
1 114 . 6 1 1 A 12 12 LEU H H 12 9.370 9.089 0.281 1
1 115 . 6 1 1 A 12 12 LEU HA H 12 4.863 5.004 -0.141 1
1 125 . 6 1 1 A 12 12 LEU CA C 12 54.243 53.374 0.869 1
1 126 . 6 1 1 A 12 12 LEU CB C 12 45.047 42.991 2.056 1
1 130 . 6 1 1 A 12 12 LEU N N 12 127.423 128.141 -0.718 1
1 131 . 6 1 1 A 13 13 VAL HA H 13 4.847 4.872 -0.025 1
1 139 . 6 1 1 A 13 13 VAL CA C 13 60.665 58.622 2.043 1
1 140 . 6 1 1 A 13 13 VAL CB C 13 35.978 35.394 0.584 1
1 143 . 6 1 1 A 14 14 SER H H 14 8.220 8.759 -0.539 1
1 144 . 6 1 1 A 14 14 SER HA H 14 4.563 4.554 0.009 1
1 147 . 6 1 1 A 14 14 SER CA C 14 58.588 58.413 0.175 1
1 148 . 6 1 1 A 14 14 SER CB C 14 65.442 63.439 2.003 1
1 149 . 6 1 1 A 14 14 SER N N 14 118.092 118.110 -0.018 1
1 150 . 6 1 1 A 15 15 LEU H H 15 8.965 8.659 0.306 1
1 151 . 6 1 1 A 15 15 LEU HA H 15 4.725 4.457 0.268 1
1 161 . 6 1 1 A 15 15 LEU CA C 15 53.203 53.331 -0.128 1
1 162 . 6 1 1 A 15 15 LEU CB C 15 42.658 42.414 0.244 1
1 166 . 6 1 1 A 15 15 LEU N N 15 124.969 127.471 -2.502 1
1 167 . 6 1 1 A 16 16 PRO HA H 16 4.326 4.264 0.062 1
1 174 . 6 1 1 A 16 16 PRO C C 16 177.551 177.364 0.187 1
1 175 . 6 1 1 A 16 16 PRO CA C 16 64.262 63.704 0.558 1
1 176 . 6 1 1 A 16 16 PRO CB C 16 32.855 31.515 1.340 1
1 179 . 6 1 1 A 17 17 GLY H H 17 8.597 8.816 -0.219 1
1 180 . 6 1 1 A 17 17 GLY HA2 H 17 4.091 3.952 0.139 1
1 181 . 6 1 1 A 17 17 GLY HA3 H 17 3.773 3.953 -0.180 1
1 182 . 6 1 1 A 17 17 GLY C C 17 173.908 175.495 -1.587 1
1 183 . 6 1 1 A 17 17 GLY CA C 17 46.155 45.353 0.802 1
1 184 . 6 1 1 A 17 17 GLY N N 17 110.651 111.695 -1.044 1
1 185 . 6 1 1 A 18 18 LEU H H 18 7.998 8.025 -0.027 1
1 186 . 6 1 1 A 18 18 LEU HA H 18 4.318 4.256 0.062 1
1 192 . 6 1 1 A 18 18 LEU CA C 18 56.800 56.457 0.343 1
1 193 . 6 1 1 A 18 18 LEU CB C 18 43.502 42.665 0.837 1
1 195 . 6 1 1 A 18 18 LEU N N 18 122.006 119.961 2.045 1
1 196 . 6 1 1 A 19 19 ASP HA H 19 4.330 4.944 -0.614 1
1 199 . 6 1 1 A 19 19 ASP CA C 19 56.800 53.891 2.909 1
1 200 . 6 1 1 A 19 19 ASP CB C 19 43.498 44.049 -0.551 1
1 201 . 6 1 1 A 20 20 GLN HA H 20 4.248 4.439 -0.191 1
1 208 . 6 1 1 A 20 20 GLN CA C 20 56.991 55.045 1.946 1
1 209 . 6 1 1 A 20 20 GLN CB C 20 31.005 27.407 3.598 1
1 212 . 6 1 1 A 21 21 GLN H H 21 7.823 8.342 -0.519 1
1 213 . 6 1 1 A 21 21 GLN HA H 21 4.478 4.592 -0.114 1
1 220 . 6 1 1 A 21 21 GLN C C 21 174.199 175.112 -0.913 1
1 221 . 6 1 1 A 21 21 GLN CA C 21 56.424 55.992 0.432 1
1 222 . 6 1 1 A 21 21 GLN CB C 21 33.930 29.978 3.952 1
1 224 . 6 1 1 A 21 21 GLN N N 21 118.190 127.120 -8.930 1
1 226 . 6 1 1 A 22 22 ASP H H 22 8.549 8.689 -0.140 1
1 227 . 6 1 1 A 22 22 ASP HA H 22 4.708 4.747 -0.039 1
1 230 . 6 1 1 A 22 22 ASP C C 22 175.399 174.987 0.412 1
1 231 . 6 1 1 A 22 22 ASP CA C 22 54.415 53.721 0.694 1
1 232 . 6 1 1 A 22 22 ASP CB C 22 42.744 39.060 3.684 1
1 233 . 6 1 1 A 22 22 ASP N N 22 122.563 124.534 -1.971 1
1 234 . 6 1 1 A 23 23 ILE H H 23 8.681 8.207 0.474 1
1 235 . 6 1 1 A 23 23 ILE HA H 23 4.726 5.237 -0.511 1
1 245 . 6 1 1 A 23 23 ILE C C 23 174.896 175.393 -0.497 1
1 246 . 6 1 1 A 23 23 ILE CA C 23 60.384 59.388 0.996 1
1 247 . 6 1 1 A 23 23 ILE CB C 23 42.843 40.052 2.791 1
1 251 . 6 1 1 A 23 23 ILE N N 23 121.642 118.379 3.263 1
1 252 . 6 1 1 A 24 24 ASN H H 24 8.224 9.124 -0.900 1
1 253 . 6 1 1 A 24 24 ASN HA H 24 5.252 6.107 -0.855 1
1 258 . 6 1 1 A 24 24 ASN C C 24 174.672 173.960 0.712 1
1 259 . 6 1 1 A 24 24 ASN CA C 24 54.262 52.128 2.134 1
1 260 . 6 1 1 A 24 24 ASN CB C 24 40.495 42.558 -2.063 1
1 261 . 6 1 1 A 24 24 ASN N N 24 124.418 120.506 3.912 1
1 263 . 6 1 1 A 25 25 ILE H H 25 9.453 9.166 0.287 1
1 264 . 6 1 1 A 25 25 ILE HA H 25 4.896 5.291 -0.395 1
1 274 . 6 1 1 A 25 25 ILE C C 25 173.645 175.271 -1.626 1
1 275 . 6 1 1 A 25 25 ILE CA C 25 61.580 60.658 0.922 1
1 276 . 6 1 1 A 25 25 ILE CB C 25 44.146 41.481 2.665 1
1 280 . 6 1 1 A 25 25 ILE N N 25 122.056 124.310 -2.254 1
1 281 . 6 1 1 A 26 26 HIS H H 26 9.716 9.346 0.370 1
1 282 . 6 1 1 A 26 26 HIS HA H 26 5.404 5.290 0.114 1
1 286 . 6 1 1 A 26 26 HIS C C 26 175.078 174.409 0.669 1
1 287 . 6 1 1 A 26 26 HIS CA C 26 55.881 54.854 1.027 1
1 288 . 6 1 1 A 26 26 HIS CB C 26 32.829 30.709 2.120 1
1 290 . 6 1 1 A 26 26 HIS N N 26 126.720 125.833 0.887 1
1 291 . 6 1 1 A 27 27 ILE H H 27 9.935 9.478 0.457 1
1 292 . 6 1 1 A 27 27 ILE HA H 27 5.096 4.770 0.326 1
1 302 . 6 1 1 A 27 27 ILE C C 27 174.860 174.995 -0.135 1
1 303 . 6 1 1 A 27 27 ILE CA C 27 61.915 60.571 1.344 1
1 304 . 6 1 1 A 27 27 ILE CB C 27 40.667 38.263 2.404 1
1 308 . 6 1 1 A 27 27 ILE N N 27 123.352 125.678 -2.326 1
1 309 . 6 1 1 A 28 28 ARG H H 28 9.315 9.382 -0.067 1
1 310 . 6 1 1 A 28 28 ARG HA H 28 5.621 4.885 0.736 1
1 317 . 6 1 1 A 28 28 ARG C C 28 175.573 174.557 1.016 1
1 318 . 6 1 1 A 28 28 ARG CA C 28 54.904 55.099 -0.195 1
1 319 . 6 1 1 A 28 28 ARG CB C 28 33.782 31.012 2.770 1
1 322 . 6 1 1 A 28 28 ARG N N 28 127.731 127.852 -0.121 1
1 323 . 6 1 1 A 29 29 TYR H H 29 7.656 8.086 -0.430 1
1 324 . 6 1 1 A 29 29 TYR HA H 29 5.831 5.554 0.277 1
1 331 . 6 1 1 A 29 29 TYR C C 29 173.770 174.939 -1.169 1
1 332 . 6 1 1 A 29 29 TYR CA C 29 55.377 55.728 -0.351 1
1 333 . 6 1 1 A 29 29 TYR CB C 29 43.035 40.732 2.303 1
1 338 . 6 1 1 A 29 29 TYR N N 29 117.229 122.079 -4.850 1
1 339 . 6 1 1 A 30 30 GLU H H 30 8.323 8.766 -0.443 1
1 340 . 6 1 1 A 30 30 GLU HA H 30 4.381 4.764 -0.383 1
1 345 . 6 1 1 A 30 30 GLU C C 30 173.976 175.322 -1.346 1
1 346 . 6 1 1 A 30 30 GLU CA C 30 55.235 55.273 -0.038 1
1 347 . 6 1 1 A 30 30 GLU CB C 30 34.494 31.785 2.709 1
1 349 . 6 1 1 A 30 30 GLU N N 30 117.003 125.219 -8.216 1
1 350 . 6 1 1 A 31 31 VAL H H 31 8.957 8.527 0.430 1
1 351 . 6 1 1 A 31 31 VAL HA H 31 4.262 4.088 0.174 1
1 359 . 6 1 1 A 31 31 VAL C C 31 175.045 174.903 0.142 1
1 360 . 6 1 1 A 31 31 VAL CA C 31 63.418 61.921 1.497 1
1 361 . 6 1 1 A 31 31 VAL CB C 31 32.211 31.023 1.188 1
1 364 . 6 1 1 A 31 31 VAL N N 31 125.299 125.749 -0.450 1
1 365 . 6 1 1 A 32 32 ARG H H 32 8.550 8.450 0.100 1
1 366 . 6 1 1 A 32 32 ARG HA H 32 4.408 4.924 -0.516 1
1 373 . 6 1 1 A 32 32 ARG C C 32 173.222 174.473 -1.251 1
1 374 . 6 1 1 A 32 32 ARG CA C 32 55.048 53.527 1.521 1
1 375 . 6 1 1 A 32 32 ARG CB C 32 34.646 33.830 0.816 1
1 378 . 6 1 1 A 32 32 ARG N N 32 128.345 128.693 -0.348 1
1 379 . 6 1 1 A 33 33 GLN H H 33 8.148 8.575 -0.427 1
1 380 . 6 1 1 A 33 33 GLN HA H 33 4.697 5.086 -0.389 1
1 387 . 6 1 1 A 33 33 GLN C C 33 175.419 175.542 -0.123 1
1 388 . 6 1 1 A 33 33 GLN CA C 33 55.943 54.804 1.139 1
1 389 . 6 1 1 A 33 33 GLN CB C 33 31.679 29.952 1.727 1
1 391 . 6 1 1 A 33 33 GLN N N 33 116.088 123.882 -7.794 1
1 393 . 6 1 1 A 34 34 ASN H H 34 8.323 8.869 -0.546 1
1 394 . 6 1 1 A 34 34 ASN HA H 34 4.825 5.298 -0.473 1
1 399 . 6 1 1 A 34 34 ASN CA C 34 53.468 52.248 1.220 1
1 400 . 6 1 1 A 34 34 ASN CB C 34 41.559 40.012 1.547 1
1 401 . 6 1 1 A 34 34 ASN N N 34 121.088 124.836 -3.748 1
1 403 . 6 1 1 A 35 35 ALA HA H 35 4.099 4.046 0.053 1
1 407 . 6 1 1 A 35 35 ALA C C 35 178.472 179.328 -0.856 1
1 408 . 6 1 1 A 35 35 ALA CA C 35 55.591 54.443 1.148 1
1 409 . 6 1 1 A 35 35 ALA CB C 35 19.600 18.403 1.197 1
1 410 . 6 1 1 A 36 36 GLU H H 36 8.362 8.020 0.342 1
1 411 . 6 1 1 A 36 36 GLU HA H 36 4.263 4.056 0.207 1
1 416 . 6 1 1 A 36 36 GLU C C 36 177.727 177.846 -0.119 1
1 417 . 6 1 1 A 36 36 GLU CA C 36 59.010 58.998 0.012 1
1 418 . 6 1 1 A 36 36 GLU CB C 36 31.059 30.062 0.997 1
1 420 . 6 1 1 A 36 36 GLU N N 36 116.669 119.721 -3.052 1
1 421 . 6 1 1 A 37 37 SER H H 37 8.338 8.021 0.317 1
1 422 . 6 1 1 A 37 37 SER HA H 37 4.515 4.688 -0.173 1
1 425 . 6 1 1 A 37 37 SER C C 37 175.134 174.602 0.532 1
1 426 . 6 1 1 A 37 37 SER CA C 37 59.568 58.018 1.550 1
1 427 . 6 1 1 A 37 37 SER CB C 37 65.114 63.769 1.345 1
1 428 . 6 1 1 A 37 37 SER N N 37 111.971 112.832 -0.861 1
1 429 . 6 1 1 A 38 38 GLY H H 38 8.098 7.962 0.136 1
1 430 . 6 1 1 A 38 38 GLY HA2 H 38 4.294 3.995 0.299 1
1 431 . 6 1 1 A 38 38 GLY HA3 H 38 3.975 3.997 -0.022 1
1 432 . 6 1 1 A 38 38 GLY C C 38 173.759 174.046 -0.287 1
1 433 . 6 1 1 A 38 38 GLY CA C 38 45.904 46.946 -1.042 1
1 434 . 6 1 1 A 38 38 GLY N N 38 111.508 110.094 1.414 1
1 435 . 6 1 1 A 39 39 ALA H H 39 8.450 8.143 0.307 1
1 436 . 6 1 1 A 39 39 ALA HA H 39 4.902 4.692 0.210 1
1 440 . 6 1 1 A 39 39 ALA C C 39 177.193 177.253 -0.060 1
1 441 . 6 1 1 A 39 39 ALA CA C 39 52.880 51.898 0.982 1
1 442 . 6 1 1 A 39 39 ALA CB C 39 20.714 19.669 1.045 1
1 443 . 6 1 1 A 39 39 ALA N N 39 124.210 126.726 -2.516 1
1 444 . 6 1 1 A 40 40 TYR H H 40 8.854 8.468 0.386 1
1 445 . 6 1 1 A 40 40 TYR HA H 40 4.796 5.329 -0.533 1
1 452 . 6 1 1 A 40 40 TYR C C 40 171.595 172.448 -0.853 1
1 453 . 6 1 1 A 40 40 TYR CA C 40 56.552 55.838 0.714 1
1 454 . 6 1 1 A 40 40 TYR CB C 40 41.319 40.993 0.326 1
1 459 . 6 1 1 A 40 40 TYR N N 40 118.580 117.054 1.526 1
1 460 . 6 1 1 A 41 41 VAL H H 41 9.275 8.425 0.850 1
1 461 . 6 1 1 A 41 41 VAL HA H 41 4.430 4.312 0.118 1
1 469 . 6 1 1 A 41 41 VAL C C 41 174.098 174.320 -0.222 1
1 470 . 6 1 1 A 41 41 VAL CA C 41 61.566 60.750 0.816 1
1 471 . 6 1 1 A 41 41 VAL CB C 41 33.852 34.126 -0.274 1
1 474 . 6 1 1 A 41 41 VAL N N 41 118.445 119.372 -0.927 1
1 475 . 6 1 1 A 42 42 HIS H H 42 8.789 8.636 0.153 1
1 476 . 6 1 1 A 42 42 HIS HA H 42 4.814 4.786 0.028 1
1 480 . 6 1 1 A 42 42 HIS C C 42 172.353 173.215 -0.862 1
1 481 . 6 1 1 A 42 42 HIS CA C 42 56.537 55.513 1.024 1
1 482 . 6 1 1 A 42 42 HIS CB C 42 31.587 30.309 1.278 1
1 484 . 6 1 1 A 42 42 HIS N N 42 125.741 127.094 -1.353 1
1 485 . 6 1 1 A 43 43 PHE H H 43 8.604 8.661 -0.057 1
1 486 . 6 1 1 A 43 43 PHE HA H 43 4.933 4.804 0.129 1
1 494 . 6 1 1 A 43 43 PHE C C 43 174.119 173.637 0.482 1
1 495 . 6 1 1 A 43 43 PHE CA C 43 56.591 56.345 0.246 1
1 496 . 6 1 1 A 43 43 PHE CB C 43 41.053 40.137 0.916 1
1 502 . 6 1 1 A 43 43 PHE N N 43 125.631 126.116 -0.485 1
1 503 . 6 1 1 A 44 44 ASP H H 44 9.322 8.919 0.403 1
1 504 . 6 1 1 A 44 44 ASP HA H 44 5.187 5.213 -0.026 1
1 507 . 6 1 1 A 44 44 ASP C C 44 175.076 173.864 1.212 1
1 508 . 6 1 1 A 44 44 ASP CA C 44 55.145 52.788 2.357 1
1 509 . 6 1 1 A 44 44 ASP CB C 44 45.197 44.693 0.504 1
1 510 . 6 1 1 A 44 44 ASP N N 44 121.184 122.146 -0.962 1
1 511 . 6 1 1 A 45 45 MET H H 45 9.110 8.573 0.537 1
1 512 . 6 1 1 A 45 45 MET HA H 45 5.765 5.698 0.067 1
1 520 . 6 1 1 A 45 45 MET C C 45 173.254 174.200 -0.946 1
1 521 . 6 1 1 A 45 45 MET CA C 45 54.810 54.539 0.271 1
1 522 . 6 1 1 A 45 45 MET CB C 45 38.632 36.886 1.746 1
1 525 . 6 1 1 A 45 45 MET N N 45 121.976 122.719 -0.743 1
1 526 . 6 1 1 A 46 46 ASP H H 46 8.763 8.570 0.193 1
1 527 . 6 1 1 A 46 46 ASP HA H 46 4.373 4.667 -0.294 1
1 530 . 6 1 1 A 46 46 ASP C C 46 173.396 173.953 -0.557 1
1 531 . 6 1 1 A 46 46 ASP CA C 46 53.810 52.202 1.608 1
1 532 . 6 1 1 A 46 46 ASP CB C 46 44.722 43.461 1.261 1
1 533 . 6 1 1 A 46 46 ASP N N 46 121.797 121.567 0.230 1
1 534 . 6 1 1 A 47 47 GLY H H 47 7.154 7.444 -0.290 1
1 535 . 6 1 1 A 47 47 GLY HA2 H 47 5.075 4.041 1.034 1
1 536 . 6 1 1 A 47 47 GLY HA3 H 47 3.927 4.266 -0.339 1
1 537 . 6 1 1 A 47 47 GLY C C 47 172.328 172.092 0.236 1
1 538 . 6 1 1 A 47 47 GLY CA C 47 45.820 44.711 1.109 1
1 539 . 6 1 1 A 47 47 GLY N N 47 105.470 105.372 0.098 1
1 540 . 6 1 1 A 48 48 GLU H H 48 9.100 8.678 0.422 1
1 541 . 6 1 1 A 48 48 GLU HA H 48 5.257 5.582 -0.325 1
1 546 . 6 1 1 A 48 48 GLU C C 48 175.019 174.509 0.510 1
1 547 . 6 1 1 A 48 48 GLU CA C 48 56.247 55.060 1.187 1
1 548 . 6 1 1 A 48 48 GLU CB C 48 35.076 34.157 0.919 1
1 550 . 6 1 1 A 48 48 GLU N N 48 119.799 119.417 0.382 1
1 551 . 6 1 1 A 49 49 ILE H H 49 7.945 8.734 -0.789 1
1 552 . 6 1 1 A 49 49 ILE HA H 49 4.540 4.430 0.110 1
1 562 . 6 1 1 A 49 49 ILE C C 49 176.382 175.902 0.480 1
1 563 . 6 1 1 A 49 49 ILE CA C 49 61.321 60.433 0.888 1
1 564 . 6 1 1 A 49 49 ILE CB C 49 41.847 40.362 1.485 1
1 568 . 6 1 1 A 49 49 ILE N N 49 120.718 120.202 0.516 1
1 569 . 6 1 1 A 50 50 ASP H H 50 10.048 9.290 0.758 1
1 570 . 6 1 1 A 50 50 ASP HA H 50 4.522 4.301 0.221 1
1 573 . 6 1 1 A 50 50 ASP C C 50 176.193 175.199 0.994 1
1 574 . 6 1 1 A 50 50 ASP CA C 50 56.872 55.121 1.751 1
1 575 . 6 1 1 A 50 50 ASP CB C 50 40.754 39.807 0.947 1
1 576 . 6 1 1 A 50 50 ASP N N 50 130.256 127.783 2.473 1
1 577 . 6 1 1 A 51 51 GLY H H 51 9.048 8.023 1.025 1
1 578 . 6 1 1 A 51 51 GLY HA2 H 51 4.126 3.890 0.236 1
1 579 . 6 1 1 A 51 51 GLY HA3 H 51 3.660 3.900 -0.240 1
1 580 . 6 1 1 A 51 51 GLY C C 51 173.935 174.012 -0.077 1
1 581 . 6 1 1 A 51 51 GLY CA C 51 46.194 45.204 0.990 1
1 582 . 6 1 1 A 51 51 GLY N N 51 103.446 104.524 -1.078 1
1 583 . 6 1 1 A 52 52 LYS H H 52 7.905 7.566 0.339 1
1 584 . 6 1 1 A 52 52 LYS HA H 52 5.014 4.562 0.452 1
1 593 . 6 1 1 A 52 52 LYS CA C 52 53.809 53.136 0.673 1
1 594 . 6 1 1 A 52 52 LYS CB C 52 33.788 32.713 1.075 1
1 598 . 6 1 1 A 52 52 LYS N N 52 122.692 121.479 1.213 1
1 599 . 6 1 1 A 53 53 PRO HA H 53 5.523 5.416 0.107 1
1 606 . 6 1 1 A 53 53 PRO C C 53 176.300 176.745 -0.445 1
1 607 . 6 1 1 A 53 53 PRO CA C 53 62.896 62.457 0.439 1
1 608 . 6 1 1 A 53 53 PRO CB C 53 33.920 33.097 0.823 1
1 611 . 6 1 1 A 54 54 PHE H H 54 8.643 8.728 -0.085 1
1 612 . 6 1 1 A 54 54 PHE HA H 54 4.907 5.139 -0.232 1
1 620 . 6 1 1 A 54 54 PHE C C 54 172.840 173.005 -0.165 1
1 621 . 6 1 1 A 54 54 PHE CA C 54 57.173 55.841 1.332 1
1 622 . 6 1 1 A 54 54 PHE CB C 54 43.620 42.413 1.207 1
1 628 . 6 1 1 A 54 54 PHE N N 54 117.436 118.808 -1.372 1
1 629 . 6 1 1 A 55 55 SER H H 55 8.009 8.558 -0.549 1
1 630 . 6 1 1 A 55 55 SER HA H 55 4.822 5.191 -0.369 1
1 633 . 6 1 1 A 55 55 SER C C 55 172.856 172.401 0.455 1
1 634 . 6 1 1 A 55 55 SER CA C 55 58.238 57.533 0.705 1
1 635 . 6 1 1 A 55 55 SER CB C 55 66.163 65.485 0.678 1
1 636 . 6 1 1 A 55 55 SER N N 55 113.907 115.601 -1.694 1
1 637 . 6 1 1 A 56 56 ASP H H 56 9.593 8.787 0.806 1
1 638 . 6 1 1 A 56 56 ASP HA H 56 4.985 5.470 -0.485 1
1 641 . 6 1 1 A 56 56 ASP C C 56 175.049 174.463 0.586 1
1 642 . 6 1 1 A 56 56 ASP CA C 56 54.043 53.620 0.423 1
1 643 . 6 1 1 A 56 56 ASP CB C 56 46.425 45.192 1.233 1
1 644 . 6 1 1 A 56 56 ASP N N 56 125.145 125.453 -0.308 1
1 645 . 6 1 1 A 57 57 SER H H 57 10.207 8.706 1.501 1
1 646 . 6 1 1 A 57 57 SER HA H 57 5.383 5.378 0.005 1
1 649 . 6 1 1 A 57 57 SER C C 57 172.452 173.653 -1.201 1
1 650 . 6 1 1 A 57 57 SER CA C 57 59.008 57.096 1.912 1
1 651 . 6 1 1 A 57 57 SER CB C 57 67.802 66.096 1.706 1
1 652 . 6 1 1 A 57 57 SER N N 57 115.172 115.882 -0.710 1
1 653 . 6 1 1 A 58 58 PHE H H 58 8.623 8.688 -0.065 1
1 654 . 6 1 1 A 58 58 PHE HA H 58 4.904 5.670 -0.766 1
1 662 . 6 1 1 A 58 58 PHE C C 58 172.447 173.012 -0.565 1
1 663 . 6 1 1 A 58 58 PHE CA C 58 57.781 55.372 2.409 1
1 664 . 6 1 1 A 58 58 PHE CB C 58 40.736 42.753 -2.017 1
1 670 . 6 1 1 A 58 58 PHE N N 58 115.065 118.214 -3.149 1
1 671 . 6 1 1 A 59 59 GLU H H 59 8.721 9.010 -0.289 1
1 672 . 6 1 1 A 59 59 GLU HA H 59 5.595 5.368 0.227 1
1 677 . 6 1 1 A 59 59 GLU C C 59 175.836 175.634 0.202 1
1 678 . 6 1 1 A 59 59 GLU CA C 59 55.290 55.333 -0.043 1
1 679 . 6 1 1 A 59 59 GLU CB C 59 34.345 32.894 1.451 1
1 681 . 6 1 1 A 59 59 GLU N N 59 118.122 120.291 -2.169 1
1 682 . 6 1 1 A 60 60 LEU H H 60 9.016 9.007 0.009 1
1 683 . 6 1 1 A 60 60 LEU HA H 60 5.221 5.018 0.203 1
1 693 . 6 1 1 A 60 60 LEU CA C 60 52.275 51.162 1.113 1
1 694 . 6 1 1 A 60 60 LEU CB C 60 46.774 45.889 0.885 1
1 698 . 6 1 1 A 60 60 LEU N N 60 121.299 125.133 -3.834 1
1 699 . 6 1 1 A 61 61 PRO HA H 61 4.614 4.690 -0.076 1
1 706 . 6 1 1 A 61 61 PRO C C 61 176.316 177.890 -1.574 1
1 707 . 6 1 1 A 61 61 PRO CA C 61 62.719 62.606 0.113 1
1 708 . 6 1 1 A 61 61 PRO CB C 61 33.758 32.952 0.806 1
1 711 . 6 1 1 A 62 62 ARG H H 62 8.017 8.580 -0.563 1
1 712 . 6 1 1 A 62 62 ARG HA H 62 3.738 3.953 -0.215 1
1 719 . 6 1 1 A 62 62 ARG C C 62 176.976 178.200 -1.224 1
1 720 . 6 1 1 A 62 62 ARG CA C 62 60.653 59.341 1.312 1
1 721 . 6 1 1 A 62 62 ARG CB C 62 31.549 29.599 1.950 1
1 724 . 6 1 1 A 62 62 ARG N N 62 118.159 122.383 -4.224 1
1 725 . 6 1 1 A 63 63 ASP H H 63 8.665 7.791 0.874 1
1 726 . 6 1 1 A 63 63 ASP HA H 63 4.484 4.516 -0.032 1
1 729 . 6 1 1 A 63 63 ASP C C 63 177.483 177.075 0.408 1
1 730 . 6 1 1 A 63 63 ASP CA C 63 57.335 56.342 0.993 1
1 731 . 6 1 1 A 63 63 ASP CB C 63 41.410 41.110 0.300 1
1 732 . 6 1 1 A 63 63 ASP N N 63 113.726 119.967 -6.241 1
1 733 . 6 1 1 A 64 64 THR H H 64 7.553 7.699 -0.146 1
1 734 . 6 1 1 A 64 64 THR HA H 64 4.562 4.780 -0.218 1
1 739 . 6 1 1 A 64 64 THR C C 64 175.654 175.369 0.285 1
1 740 . 6 1 1 A 64 64 THR CA C 64 61.499 60.935 0.564 1
1 741 . 6 1 1 A 64 64 THR CB C 64 69.606 69.237 0.369 1
1 743 . 6 1 1 A 64 64 THR N N 64 107.855 107.043 0.812 1
1 744 . 6 1 1 A 65 65 ALA H H 65 7.406 7.522 -0.116 1
1 745 . 6 1 1 A 65 65 ALA HA H 65 4.012 4.200 -0.188 1
1 749 . 6 1 1 A 65 65 ALA C C 65 176.820 179.826 -3.006 1
1 750 . 6 1 1 A 65 65 ALA CA C 65 55.939 54.942 0.997 1
1 751 . 6 1 1 A 65 65 ALA CB C 65 19.454 17.993 1.461 1
1 752 . 6 1 1 A 65 65 ALA N N 65 123.777 125.778 -2.001 1
1 753 . 6 1 1 A 66 66 PHE H H 66 7.583 7.727 -0.144 1
1 754 . 6 1 1 A 66 66 PHE HA H 66 4.381 4.927 -0.546 1
1 762 . 6 1 1 A 66 66 PHE C C 66 176.104 177.536 -1.432 1
1 763 . 6 1 1 A 66 66 PHE CA C 66 58.836 61.011 -2.175 1
1 764 . 6 1 1 A 66 66 PHE CB C 66 37.740 38.050 -0.310 1
1 770 . 6 1 1 A 66 66 PHE N N 66 110.346 115.461 -5.115 1
1 771 . 6 1 1 A 67 67 ASN H H 67 7.984 8.470 -0.486 1
1 772 . 6 1 1 A 67 67 ASN HA H 67 4.848 4.776 0.072 1
1 777 . 6 1 1 A 67 67 ASN C C 67 175.700 177.038 -1.338 1
1 778 . 6 1 1 A 67 67 ASN CA C 67 53.469 54.121 -0.652 1
1 779 . 6 1 1 A 67 67 ASN CB C 67 38.836 38.640 0.196 1
1 780 . 6 1 1 A 67 67 ASN N N 67 120.591 118.979 1.612 1
1 782 . 6 1 1 A 68 68 PHE H H 68 7.218 7.925 -0.707 1
1 783 . 6 1 1 A 68 68 PHE HA H 68 4.054 4.417 -0.363 1
1 790 . 6 1 1 A 68 68 PHE C C 68 174.796 177.078 -2.282 1
1 791 . 6 1 1 A 68 68 PHE CA C 68 60.849 59.503 1.346 1
1 792 . 6 1 1 A 68 68 PHE CB C 68 40.263 37.005 3.258 1
1 797 . 6 1 1 A 68 68 PHE N N 68 115.915 118.543 -2.628 1
1 798 . 6 1 1 A 69 69 ALA H H 69 7.780 7.652 0.128 1
1 799 . 6 1 1 A 69 69 ALA HA H 69 3.484 3.340 0.144 1
1 803 . 6 1 1 A 69 69 ALA C C 69 180.022 179.254 0.768 1
1 804 . 6 1 1 A 69 69 ALA CA C 69 56.283 54.509 1.774 1
1 805 . 6 1 1 A 69 69 ALA CB C 69 18.935 18.047 0.888 1
1 806 . 6 1 1 A 69 69 ALA N N 69 124.604 123.419 1.185 1
1 807 . 6 1 1 A 70 70 SER H H 70 7.852 7.900 -0.048 1
1 808 . 6 1 1 A 70 70 SER HA H 70 4.061 4.029 0.032 1
1 811 . 6 1 1 A 70 70 SER C C 70 177.054 176.167 0.887 1
1 812 . 6 1 1 A 70 70 SER CA C 70 62.085 61.220 0.865 1
1 813 . 6 1 1 A 70 70 SER CB C 70 62.976 62.361 0.615 1
1 814 . 6 1 1 A 70 70 SER N N 70 114.973 112.905 2.068 1
1 815 . 6 1 1 A 71 71 ASP H H 71 7.602 7.950 -0.348 1
1 816 . 6 1 1 A 71 71 ASP HA H 71 4.012 4.153 -0.141 1
1 819 . 6 1 1 A 71 71 ASP C C 71 177.086 177.788 -0.702 1
1 820 . 6 1 1 A 71 71 ASP CA C 71 58.501 56.829 1.672 1
1 821 . 6 1 1 A 71 71 ASP CB C 71 42.006 40.926 1.080 1
1 822 . 6 1 1 A 71 71 ASP N N 71 123.211 122.379 0.832 1
1 823 . 6 1 1 A 72 72 ALA H H 72 8.406 8.169 0.237 1
1 824 . 6 1 1 A 72 72 ALA HA H 72 3.671 4.229 -0.558 1
1 828 . 6 1 1 A 72 72 ALA C C 72 179.377 180.001 -0.624 1
1 829 . 6 1 1 A 72 72 ALA CA C 72 55.717 55.205 0.512 1
1 830 . 6 1 1 A 72 72 ALA CB C 72 18.658 18.847 -0.189 1
1 831 . 6 1 1 A 72 72 ALA N N 72 119.793 121.101 -1.308 1
1 832 . 6 1 1 A 73 73 THR H H 73 7.631 7.755 -0.124 1
1 833 . 6 1 1 A 73 73 THR HA H 73 3.562 3.821 -0.259 1
1 838 . 6 1 1 A 73 73 THR C C 73 175.072 176.366 -1.294 1
1 839 . 6 1 1 A 73 73 THR CA C 73 68.525 66.899 1.626 1
1 840 . 6 1 1 A 73 73 THR CB C 73 69.564 68.579 0.985 1
1 842 . 6 1 1 A 73 73 THR N N 73 114.702 114.891 -0.189 1
1 843 . 6 1 1 A 74 74 ARG H H 74 7.629 7.839 -0.210 1
1 844 . 6 1 1 A 74 74 ARG HA H 74 3.795 3.952 -0.157 1
1 851 . 6 1 1 A 74 74 ARG C C 74 176.832 178.522 -1.690 1
1 852 . 6 1 1 A 74 74 ARG CA C 74 60.580 58.662 1.918 1
1 853 . 6 1 1 A 74 74 ARG CB C 74 30.409 29.579 0.830 1
1 856 . 6 1 1 A 74 74 ARG N N 74 122.528 120.843 1.685 1
1 857 . 6 1 1 A 75 75 VAL H H 75 8.008 8.147 -0.139 1
1 858 . 6 1 1 A 75 75 VAL HA H 75 3.439 3.596 -0.157 1
1 866 . 6 1 1 A 75 75 VAL C C 75 177.802 177.908 -0.106 1
1 867 . 6 1 1 A 75 75 VAL CA C 75 67.492 66.373 1.119 1
1 868 . 6 1 1 A 75 75 VAL CB C 75 32.220 31.724 0.496 1
1 871 . 6 1 1 A 75 75 VAL N N 75 120.044 119.906 0.138 1
1 872 . 6 1 1 A 76 76 ALA H H 76 8.092 7.865 0.227 1
1 873 . 6 1 1 A 76 76 ALA HA H 76 3.537 3.928 -0.391 1
1 877 . 6 1 1 A 76 76 ALA C C 76 180.078 179.860 0.218 1
1 878 . 6 1 1 A 76 76 ALA CA C 76 56.194 55.215 0.979 1
1 879 . 6 1 1 A 76 76 ALA CB C 76 18.882 18.131 0.751 1
1 880 . 6 1 1 A 76 76 ALA N N 76 120.726 121.879 -1.153 1
1 881 . 6 1 1 A 77 77 GLN H H 77 8.432 8.073 0.359 1
1 882 . 6 1 1 A 77 77 GLN HA H 77 4.428 3.862 0.566 1
1 885 . 6 1 1 A 77 77 GLN CA C 77 58.987 57.941 1.046 1
1 887 . 6 1 1 A 77 77 GLN N N 77 118.235 115.750 2.485 1
1 888 . 6 1 1 A 78 78 LYS H H 78 7.655 7.739 -0.084 1
1 889 . 6 1 1 A 78 78 LYS HA H 78 3.874 4.009 -0.135 1
1 898 . 6 1 1 A 78 78 LYS C C 78 177.044 177.695 -0.651 1
1 899 . 6 1 1 A 78 78 LYS CA C 78 59.393 58.530 0.863 1
1 900 . 6 1 1 A 78 78 LYS CB C 78 32.583 32.322 0.261 1
1 904 . 6 1 1 A 78 78 LYS N N 78 121.797 118.286 3.511 1
1 905 . 6 1 1 A 79 79 HIS H H 79 6.888 7.331 -0.443 1
1 906 . 6 1 1 A 79 79 HIS HA H 79 4.501 4.538 -0.037 1
1 909 . 6 1 1 A 79 79 HIS C C 79 174.191 175.147 -0.956 1
1 910 . 6 1 1 A 79 79 HIS CA C 79 56.166 56.112 0.054 1
1 911 . 6 1 1 A 79 79 HIS CB C 79 30.993 30.090 0.903 1
1 912 . 6 1 1 A 79 79 HIS N N 79 115.368 114.425 0.943 1
1 913 . 6 1 1 A 80 80 GLY H H 80 7.159 7.320 -0.161 1
1 914 . 6 1 1 A 80 80 GLY HA2 H 80 4.433 3.869 0.564 1
1 915 . 6 1 1 A 80 80 GLY HA3 H 80 3.541 3.877 -0.336 1
1 916 . 6 1 1 A 80 80 GLY C C 80 175.246 173.609 1.637 1
1 917 . 6 1 1 A 80 80 GLY CA C 80 45.823 45.246 0.577 1
1 918 . 6 1 1 A 80 80 GLY N N 80 104.319 106.635 -2.316 1
1 919 . 6 1 1 A 81 81 LEU H H 81 7.962 8.548 -0.586 1
1 920 . 6 1 1 A 81 81 LEU HA H 81 4.012 4.040 -0.028 1
1 930 . 6 1 1 A 81 81 LEU CA C 81 56.383 57.252 -0.869 1
1 931 . 6 1 1 A 81 81 LEU CB C 81 43.506 41.595 1.911 1
1 935 . 6 1 1 A 81 81 LEU N N 81 124.945 124.547 0.398 1
1 936 . 6 1 1 A 83 83 PRO HA H 83 4.248 4.665 -0.417 1
1 943 . 6 1 1 A 83 83 PRO CA C 83 65.606 62.191 3.415 1
1 944 . 6 1 1 A 83 83 PRO CB C 83 32.805 33.261 -0.456 1
1 947 . 6 1 1 A 84 84 LYS HA H 84 4.132 3.941 0.191 1
1 956 . 6 1 1 A 84 84 LYS CA C 84 59.351 59.438 -0.087 1
1 957 . 6 1 1 A 84 84 LYS CB C 84 33.109 31.870 1.239 1
1 961 . 6 1 1 A 85 85 PHE HA H 85 3.941 4.306 -0.365 1
1 964 . 6 1 1 A 85 85 PHE CA C 85 59.693 59.420 0.273 1
1 965 . 6 1 1 A 85 85 PHE CB C 85 39.968 37.583 2.385 1
1 966 . 6 1 1 A 86 86 GLY HA2 H 86 3.721 3.699 0.022 1
1 967 . 6 1 1 A 86 86 GLY HA3 H 86 3.659 3.811 -0.152 1
1 968 . 6 1 1 A 86 86 GLY CA C 86 44.471 46.961 -2.490 1
1 969 . 6 1 1 A 87 87 ALA HA H 87 4.274 4.245 0.029 1
1 973 . 6 1 1 A 87 87 ALA CA C 87 53.390 50.928 2.462 1
1 974 . 6 1 1 A 87 87 ALA CB C 87 20.262 17.623 2.639 1
1 975 . 6 1 1 A 88 88 ILE HA H 88 4.015 3.910 0.105 1
1 985 . 6 1 1 A 88 88 ILE CA C 88 63.697 63.261 0.436 1
1 986 . 6 1 1 A 88 88 ILE CB C 88 38.931 37.740 1.191 1
1 990 . 6 1 1 A 89 89 THR HA H 89 4.224 4.068 0.156 1
1 994 . 6 1 1 A 89 89 THR CA C 89 63.088 64.186 -1.098 1
1 996 . 6 1 1 A 90 90 ARG HA H 90 4.105 3.997 0.108 1
1 1003 . 6 1 1 A 90 90 ARG CA C 90 58.412 58.767 -0.355 1
1 1004 . 6 1 1 A 90 90 ARG CB C 90 30.907 30.077 0.830 1
1 1007 . 6 1 1 A 91 91 VAL HA H 91 4.047 4.181 -0.134 1
1 1015 . 6 1 1 A 91 91 VAL C C 91 175.627 176.048 -0.421 1
1 1016 . 6 1 1 A 91 91 VAL CA C 91 62.923 62.097 0.826 1
1 1017 . 6 1 1 A 91 91 VAL CB C 91 32.060 33.021 -0.961 1
1 1020 . 6 1 1 A 92 92 HIS HA H 92 4.567 4.756 -0.189 1
1 1023 . 6 1 1 A 92 92 HIS CA C 92 57.021 55.657 1.364 1
1 1024 . 6 1 1 A 92 92 HIS CB C 92 31.579 28.574 3.005 1
1 1025 . 6 1 1 A 93 93 LYS H H 93 8.490 8.243 0.247 1
1 1026 . 6 1 1 A 93 93 LYS HA H 93 4.149 4.315 -0.166 1
1 1035 . 6 1 1 A 93 93 LYS CA C 93 58.472 55.078 3.394 1
1 1036 . 6 1 1 A 93 93 LYS CB C 93 32.632 31.026 1.606 1
1 1040 . 6 1 1 A 93 93 LYS N N 93 123.001 125.680 -2.679 1
1 1041 . 6 1 1 A 94 94 GLU HA H 94 4.265 4.021 0.244 1
1 1046 . 6 1 1 A 94 94 GLU CA C 94 57.682 57.606 0.076 1
1 1047 . 6 1 1 A 94 94 GLU CB C 94 30.952 26.580 4.372 1
1 1049 . 6 1 1 A 95 95 TYR HA H 95 4.205 4.494 -0.289 1
1 1056 . 6 1 1 A 95 95 TYR C C 95 176.555 177.611 -1.056 1
1 1057 . 6 1 1 A 95 95 TYR CA C 95 60.582 61.075 -0.493 1
1 1058 . 6 1 1 A 95 95 TYR CB C 95 39.000 38.516 0.484 1
1 1063 . 6 1 1 A 96 96 ASP H H 96 8.104 8.386 -0.282 1
1 1064 . 6 1 1 A 96 96 ASP HA H 96 4.252 4.093 0.159 1
1 1067 . 6 1 1 A 96 96 ASP CA C 96 58.583 57.212 1.371 1
1 1068 . 6 1 1 A 96 96 ASP CB C 96 41.058 40.097 0.961 1
1 1069 . 6 1 1 A 96 96 ASP N N 96 120.068 119.240 0.828 1
1 1070 . 6 1 1 A 97 97 ALA HA H 97 3.964 4.126 -0.162 1
1 1074 . 6 1 1 A 97 97 ALA C C 97 179.912 179.296 0.616 1
1 1075 . 6 1 1 A 97 97 ALA CA C 97 55.582 55.260 0.322 1
1 1076 . 6 1 1 A 97 97 ALA CB C 97 18.849 18.326 0.523 1
1 1077 . 6 1 1 A 98 98 MET H H 98 7.422 7.836 -0.414 1
1 1078 . 6 1 1 A 98 98 MET HA H 98 3.847 4.132 -0.285 1
1 1083 . 6 1 1 A 98 98 MET C C 98 177.185 178.267 -1.082 1
1 1084 . 6 1 1 A 98 98 MET CA C 98 59.943 58.376 1.567 1
1 1085 . 6 1 1 A 98 98 MET CB C 98 32.583 31.811 0.772 1
1 1087 . 6 1 1 A 98 98 MET N N 98 120.651 118.873 1.778 1
1 1088 . 6 1 1 A 99 99 PHE H H 99 8.652 8.862 -0.210 1
1 1089 . 6 1 1 A 99 99 PHE HA H 99 4.150 4.258 -0.108 1
1 1097 . 6 1 1 A 99 99 PHE C C 99 177.911 177.656 0.255 1
1 1098 . 6 1 1 A 99 99 PHE CA C 99 61.936 61.987 -0.051 1
1 1099 . 6 1 1 A 99 99 PHE CB C 99 39.302 38.888 0.414 1
1 1105 . 6 1 1 A 99 99 PHE N N 99 119.857 120.572 -0.715 1
1 1106 . 6 1 1 A 100 100 GLU H H 100 8.232 8.434 -0.202 1
1 1107 . 6 1 1 A 100 100 GLU HA H 100 4.094 4.130 -0.036 1
1 1112 . 6 1 1 A 100 100 GLU CA C 100 59.579 59.507 0.072 1
1 1113 . 6 1 1 A 100 100 GLU CB C 100 29.878 29.185 0.693 1
1 1115 . 6 1 1 A 100 100 GLU N N 100 117.666 118.075 -0.409 1
1 1116 . 6 1 1 A 101 101 ASP HA H 101 4.568 4.478 0.090 1
1 1119 . 6 1 1 A 101 101 ASP C C 101 177.667 178.574 -0.907 1
1 1120 . 6 1 1 A 101 101 ASP CA C 101 58.940 57.392 1.548 1
1 1121 . 6 1 1 A 101 101 ASP CB C 101 43.462 41.291 2.171 1
1 1122 . 6 1 1 A 102 102 ILE H H 102 8.370 8.088 0.282 1
1 1123 . 6 1 1 A 102 102 ILE HA H 102 3.319 3.584 -0.265 1
1 1133 . 6 1 1 A 102 102 ILE C C 102 177.347 178.351 -1.004 1
1 1134 . 6 1 1 A 102 102 ILE CA C 102 67.567 65.212 2.355 1
1 1135 . 6 1 1 A 102 102 ILE CB C 102 38.766 37.699 1.067 1
1 1139 . 6 1 1 A 102 102 ILE N N 102 118.449 119.502 -1.053 1
1 1140 . 6 1 1 A 103 103 ARG H H 103 8.450 8.318 0.132 1
1 1141 . 6 1 1 A 103 103 ARG HA H 103 3.834 4.267 -0.433 1
1 1148 . 6 1 1 A 103 103 ARG C C 103 178.760 178.408 0.352 1
1 1149 . 6 1 1 A 103 103 ARG CA C 103 61.318 58.692 2.626 1
1 1150 . 6 1 1 A 103 103 ARG CB C 103 30.978 29.949 1.029 1
1 1153 . 6 1 1 A 103 103 ARG N N 103 118.941 120.635 -1.694 1
1 1154 . 6 1 1 A 104 104 ALA H H 104 8.289 7.781 0.508 1
1 1155 . 6 1 1 A 104 104 ALA HA H 104 4.072 4.140 -0.068 1
1 1159 . 6 1 1 A 104 104 ALA C C 104 181.340 179.557 1.783 1
1 1160 . 6 1 1 A 104 104 ALA CA C 104 56.021 55.275 0.746 1
1 1161 . 6 1 1 A 104 104 ALA CB C 104 18.962 18.125 0.837 1
1 1162 . 6 1 1 A 104 104 ALA N N 104 121.028 122.276 -1.248 1
1 1163 . 6 1 1 A 105 105 LYS H H 105 8.231 7.848 0.383 1
1 1164 . 6 1 1 A 105 105 LYS HA H 105 4.013 4.034 -0.021 1
1 1173 . 6 1 1 A 105 105 LYS C C 105 179.414 179.081 0.333 1
1 1174 . 6 1 1 A 105 105 LYS CA C 105 60.025 58.908 1.117 1
1 1175 . 6 1 1 A 105 105 LYS CB C 105 34.341 31.858 2.483 1
1 1179 . 6 1 1 A 105 105 LYS N N 105 118.789 118.495 0.294 1
1 1180 . 6 1 1 A 106 106 LEU H H 106 8.289 8.252 0.037 1
1 1181 . 6 1 1 A 106 106 LEU HA H 106 4.043 4.102 -0.059 1
1 1191 . 6 1 1 A 106 106 LEU C C 106 178.091 178.918 -0.827 1
1 1192 . 6 1 1 A 106 106 LEU CA C 106 57.469 57.644 -0.175 1
1 1193 . 6 1 1 A 106 106 LEU CB C 106 43.248 41.433 1.815 1
1 1197 . 6 1 1 A 106 106 LEU N N 106 119.086 119.720 -0.634 1
1 1198 . 6 1 1 A 107 107 HIS H H 107 7.861 7.949 -0.088 1
1 1199 . 6 1 1 A 107 107 HIS HA H 107 4.428 4.366 0.062 1
1 1203 . 6 1 1 A 107 107 HIS C C 107 175.263 174.934 0.329 1
1 1204 . 6 1 1 A 107 107 HIS CA C 107 58.218 58.539 -0.321 1
1 1205 . 6 1 1 A 107 107 HIS CB C 107 30.819 30.471 0.348 1
1 1207 . 6 1 1 A 107 107 HIS N N 107 118.172 117.882 0.290 1
1 1208 . 6 1 1 A 108 108 ALA H H 108 7.505 7.665 -0.160 1
1 1209 . 6 1 1 A 108 108 ALA HA H 108 4.218 4.009 0.209 1
1 1213 . 6 1 1 A 108 108 ALA C C 108 179.374 175.783 3.591 1
1 1214 . 6 1 1 A 108 108 ALA CA C 108 53.303 54.132 -0.829 1
1 1215 . 6 1 1 A 108 108 ALA CB C 108 20.005 17.870 2.135 1
1 1216 . 6 1 1 A 108 108 ALA N N 108 121.363 120.652 0.711 1
1 1217 . 6 1 1 A 109 109 HIS H H 109 7.987 7.531 0.456 1
1 1218 . 6 1 1 A 109 109 HIS HA H 109 4.770 5.084 -0.314 1
1 1221 . 6 1 1 A 109 109 HIS CA C 109 55.217 53.741 1.476 1
1 1222 . 6 1 1 A 109 109 HIS CB C 109 31.250 32.792 -1.542 1
1 1223 . 6 1 1 A 109 109 HIS N N 109 120.133 116.826 3.307 1
1 1224 . 6 1 1 A 110 110 PRO HA H 110 4.368 4.337 0.031 1
1 1231 . 6 1 1 A 110 110 PRO C C 110 177.350 175.976 1.374 1
1 1232 . 6 1 1 A 110 110 PRO CA C 110 64.430 63.846 0.584 1
1 1233 . 6 1 1 A 110 110 PRO CB C 110 32.912 32.294 0.618 1
1 1236 . 6 1 1 A 111 111 GLY H H 111 8.492 8.357 0.135 1
1 1237 . 6 1 1 A 111 111 GLY HA2 H 111 3.925 4.110 -0.185 1
1 1238 . 6 1 1 A 111 111 GLY HA3 H 111 3.925 4.147 -0.222 1
1 1239 . 6 1 1 A 111 111 GLY C C 111 173.681 174.153 -0.472 1
1 1240 . 6 1 1 A 111 111 GLY CA C 111 45.831 45.294 0.537 1
1 1241 . 6 1 1 A 111 111 GLY N N 111 109.622 108.564 1.058 1
1 1242 . 6 1 1 A 112 112 GLU H H 112 8.139 8.788 -0.649 1
1 1243 . 6 1 1 A 112 112 GLU HA H 112 4.573 4.810 -0.237 1
1 1248 . 6 1 1 A 112 112 GLU CA C 112 55.099 54.321 0.778 1
1 1249 . 6 1 1 A 112 112 GLU CB C 112 30.664 30.284 0.380 1
1 1251 . 6 1 1 A 112 112 GLU N N 112 121.771 123.722 -1.951 1
1 1252 . 6 1 1 A 113 113 PRO HA H 113 4.411 4.547 -0.136 1
1 1259 . 6 1 1 A 113 113 PRO C C 113 176.943 175.302 1.641 1
1 1260 . 6 1 1 A 113 113 PRO CA C 113 63.990 62.822 1.168 1
1 1261 . 6 1 1 A 113 113 PRO CB C 113 32.817 29.280 3.537 1
1 1264 . 6 1 1 A 114 114 VAL H H 114 8.226 7.679 0.547 1
1 1265 . 6 1 1 A 114 114 VAL HA H 114 4.036 4.060 -0.024 1
1 1273 . 6 1 1 A 114 114 VAL C C 114 175.708 176.527 -0.819 1
1 1274 . 6 1 1 A 114 114 VAL CA C 114 63.021 62.201 0.820 1
1 1275 . 6 1 1 A 114 114 VAL CB C 114 33.996 32.410 1.586 1
1 1278 . 6 1 1 A 114 114 VAL N N 114 120.138 121.451 -1.313 1
1 1279 . 6 1 1 A 115 115 ASP H H 115 8.313 8.507 -0.194 1
1 1280 . 6 1 1 A 115 115 ASP HA H 115 4.587 4.940 -0.353 1
1 1283 . 6 1 1 A 115 115 ASP C C 115 176.361 176.816 -0.455 1
1 1284 . 6 1 1 A 115 115 ASP CA C 115 54.760 52.977 1.783 1
1 1285 . 6 1 1 A 115 115 ASP CB C 115 41.888 40.298 1.590 1
1 1286 . 6 1 1 A 115 115 ASP N N 115 123.840 125.534 -1.694 1
1 1287 . 6 1 1 A 116 116 LEU H H 116 8.202 8.152 0.050 1
1 1288 . 6 1 1 A 116 116 LEU HA H 116 4.168 3.887 0.281 1
1 1298 . 6 1 1 A 116 116 LEU C C 116 177.811 178.580 -0.769 1
1 1299 . 6 1 1 A 116 116 LEU CA C 116 56.696 58.008 -1.312 1
1 1300 . 6 1 1 A 116 116 LEU CB C 116 43.084 41.580 1.504 1
1 1304 . 6 1 1 A 116 116 LEU N N 116 123.362 120.684 2.678 1
1 1305 . 6 1 1 A 117 117 GLU H H 117 8.311 8.195 0.116 1
1 1306 . 6 1 1 A 117 117 GLU HA H 117 4.141 4.028 0.113 1
1 1311 . 6 1 1 A 117 117 GLU C C 117 176.687 178.525 -1.838 1
1 1312 . 6 1 1 A 117 117 GLU CA C 117 57.937 59.199 -1.262 1
1 1313 . 6 1 1 A 117 117 GLU CB C 117 30.685 29.109 1.576 1
1 1315 . 6 1 1 A 117 117 GLU N N 117 119.881 118.916 0.965 1
1 1316 . 6 1 1 A 118 118 ARG H H 118 7.930 7.957 -0.027 1
1 1317 . 6 1 1 A 118 118 ARG HA H 118 4.223 4.104 0.119 1
1 1324 . 6 1 1 A 118 118 ARG C C 118 176.125 179.067 -2.942 1
1 1325 . 6 1 1 A 118 118 ARG CA C 118 57.133 58.921 -1.788 1
1 1326 . 6 1 1 A 118 118 ARG CB C 118 31.445 29.814 1.631 1
1 1329 . 6 1 1 A 118 118 ARG N N 118 120.580 120.112 0.468 1
1 1330 . 6 1 1 A 119 119 ILE H H 119 7.926 7.484 0.442 1
1 1331 . 6 1 1 A 119 119 ILE HA H 119 4.041 3.868 0.173 1
1 1341 . 6 1 1 A 119 119 ILE C C 119 176.166 176.225 -0.059 1
1 1342 . 6 1 1 A 119 119 ILE CA C 119 62.131 64.977 -2.846 1
1 1343 . 6 1 1 A 119 119 ILE CB C 119 39.327 38.334 0.993 1
1 1347 . 6 1 1 A 119 119 ILE N N 119 121.721 118.038 3.683 1
1 1348 . 6 1 1 A 120 120 ILE H H 120 8.152 7.892 0.260 1
1 1349 . 6 1 1 A 120 120 ILE HA H 120 4.038 4.315 -0.277 1
1 1359 . 6 1 1 A 120 120 ILE C C 120 175.922 175.157 0.765 1
1 1360 . 6 1 1 A 120 120 ILE CA C 120 61.812 60.796 1.016 1
1 1361 . 6 1 1 A 120 120 ILE CB C 120 39.091 39.339 -0.248 1
1 1365 . 6 1 1 A 120 120 ILE N N 120 125.274 121.436 3.838 1
1 1366 . 6 1 1 A 121 121 ARG H H 121 8.266 8.889 -0.623 1
1 1367 . 6 1 1 A 121 121 ARG HA H 121 4.293 4.608 -0.315 1
1 1374 . 6 1 1 A 121 121 ARG CA C 121 56.489 57.236 -0.747 1
1 1375 . 6 1 1 A 121 121 ARG CB C 121 31.785 31.944 -0.159 1
1 1378 . 6 1 1 A 121 121 ARG N N 121 125.412 127.615 -2.203 1
1 1379 . 6 1 1 A 122 122 HIS HA H 122 5.066 4.724 0.342 1
1 1383 . 6 1 1 A 122 122 HIS C C 122 175.210 173.542 1.668 1
1 1384 . 6 1 1 A 122 122 HIS CA C 122 56.554 56.398 0.156 1
1 1385 . 6 1 1 A 122 122 HIS CB C 122 32.905 33.275 -0.370 1
1 1387 . 6 1 1 A 123 123 GLU H H 123 8.936 9.052 -0.116 1
1 1388 . 6 1 1 A 123 123 GLU N N 123 121.008 126.233 -5.225 1
1 1389 . 6 1 1 A 124 124 GLY HA2 H 124 3.984 3.969 0.015 1
1 1390 . 6 1 1 A 124 124 GLY HA3 H 124 3.913 3.972 -0.059 1
1 1391 . 6 1 1 A 124 124 GLY C C 124 173.408 173.144 0.264 1
1 1392 . 6 1 1 A 124 124 GLY CA C 124 46.124 45.642 0.482 1
1 10 . 7 1 1 A 2 2 GLY H H 2 8.402 8.526 -0.124 1
1 11 . 7 1 1 A 2 2 GLY HA2 H 2 3.903 4.043 -0.140 1
1 12 . 7 1 1 A 2 2 GLY HA3 H 2 3.903 4.060 -0.157 1
1 13 . 7 1 1 A 2 2 GLY C C 2 172.919 173.377 -0.458 1
1 14 . 7 1 1 A 2 2 GLY CA C 2 45.814 45.770 0.044 1
1 15 . 7 1 1 A 2 2 GLY N N 2 110.769 111.794 -1.025 1
1 16 . 7 1 1 A 3 3 HIS H H 3 8.198 7.556 0.642 1
1 17 . 7 1 1 A 3 3 HIS N N 3 120.514 114.870 5.644 1
1 18 . 7 1 1 A 4 4 MET HA H 4 4.688 4.805 -0.117 1
1 26 . 7 1 1 A 4 4 MET CA C 4 56.462 54.000 2.462 1
1 27 . 7 1 1 A 4 4 MET CB C 4 35.293 32.285 3.008 1
1 30 . 7 1 1 A 5 5 PHE H H 5 8.690 9.202 -0.512 1
1 31 . 7 1 1 A 5 5 PHE HA H 5 5.254 5.286 -0.032 1
1 39 . 7 1 1 A 5 5 PHE C C 5 173.490 174.400 -0.910 1
1 40 . 7 1 1 A 5 5 PHE CA C 5 58.548 57.571 0.977 1
1 41 . 7 1 1 A 5 5 PHE CB C 5 43.312 42.455 0.857 1
1 47 . 7 1 1 A 5 5 PHE N N 5 123.462 126.886 -3.424 1
1 48 . 7 1 1 A 6 6 GLU H H 6 7.963 8.807 -0.844 1
1 49 . 7 1 1 A 6 6 GLU HA H 6 4.182 4.709 -0.527 1
1 54 . 7 1 1 A 6 6 GLU CA C 6 53.572 53.709 -0.137 1
1 55 . 7 1 1 A 6 6 GLU CB C 6 31.259 32.788 -1.529 1
1 57 . 7 1 1 A 6 6 GLU N N 6 127.826 124.266 3.560 1
1 58 . 7 1 1 A 7 7 PRO HA H 7 3.783 4.262 -0.479 1
1 65 . 7 1 1 A 7 7 PRO C C 7 177.433 177.293 0.140 1
1 66 . 7 1 1 A 7 7 PRO CA C 7 66.503 63.660 2.843 1
1 67 . 7 1 1 A 7 7 PRO CB C 7 31.785 31.253 0.532 1
1 70 . 7 1 1 A 8 8 GLY H H 8 7.537 8.359 -0.822 1
1 71 . 7 1 1 A 8 8 GLY HA2 H 8 3.896 3.239 0.657 1
1 72 . 7 1 1 A 8 8 GLY HA3 H 8 2.085 3.651 -1.566 1
1 73 . 7 1 1 A 8 8 GLY C C 8 174.730 172.824 1.906 1
1 74 . 7 1 1 A 8 8 GLY CA C 8 46.895 44.638 2.257 1
1 75 . 7 1 1 A 8 8 GLY N N 8 111.178 112.378 -1.200 1
1 76 . 7 1 1 A 9 9 HIS H H 9 9.112 7.321 1.791 1
1 77 . 7 1 1 A 9 9 HIS HA H 9 5.699 4.968 0.731 1
1 81 . 7 1 1 A 9 9 HIS C C 9 170.886 172.742 -1.856 1
1 82 . 7 1 1 A 9 9 HIS CA C 9 55.252 55.923 -0.671 1
1 83 . 7 1 1 A 9 9 HIS CB C 9 32.029 33.236 -1.207 1
1 85 . 7 1 1 A 9 9 HIS N N 9 122.719 119.133 3.586 1
1 86 . 7 1 1 A 10 10 LEU H H 10 9.637 8.984 0.653 1
1 87 . 7 1 1 A 10 10 LEU HA H 10 5.198 5.270 -0.072 1
1 97 . 7 1 1 A 10 10 LEU C C 10 173.565 173.837 -0.272 1
1 98 . 7 1 1 A 10 10 LEU CA C 10 54.377 53.151 1.226 1
1 99 . 7 1 1 A 10 10 LEU CB C 10 46.916 46.594 0.322 1
1 103 . 7 1 1 A 10 10 LEU N N 10 130.516 127.719 2.797 1
1 104 . 7 1 1 A 11 11 HIS H H 11 9.237 8.944 0.293 1
1 105 . 7 1 1 A 11 11 HIS HA H 11 5.478 5.435 0.043 1
1 109 . 7 1 1 A 11 11 HIS C C 11 173.559 173.106 0.453 1
1 110 . 7 1 1 A 11 11 HIS CA C 11 53.302 53.816 -0.514 1
1 111 . 7 1 1 A 11 11 HIS CB C 11 34.638 33.224 1.414 1
1 113 . 7 1 1 A 11 11 HIS N N 11 128.715 125.685 3.030 1
1 114 . 7 1 1 A 12 12 LEU H H 12 9.370 9.274 0.096 1
1 115 . 7 1 1 A 12 12 LEU HA H 12 4.863 5.149 -0.286 1
1 125 . 7 1 1 A 12 12 LEU CA C 12 54.243 53.447 0.796 1
1 126 . 7 1 1 A 12 12 LEU CB C 12 45.047 43.192 1.855 1
1 130 . 7 1 1 A 12 12 LEU N N 12 127.423 128.511 -1.088 1
1 131 . 7 1 1 A 13 13 VAL HA H 13 4.847 4.958 -0.111 1
1 139 . 7 1 1 A 13 13 VAL CA C 13 60.665 60.014 0.651 1
1 140 . 7 1 1 A 13 13 VAL CB C 13 35.978 35.810 0.168 1
1 143 . 7 1 1 A 14 14 SER H H 14 8.220 8.720 -0.500 1
1 144 . 7 1 1 A 14 14 SER HA H 14 4.563 4.858 -0.295 1
1 147 . 7 1 1 A 14 14 SER CA C 14 58.588 56.807 1.781 1
1 148 . 7 1 1 A 14 14 SER CB C 14 65.442 63.888 1.554 1
1 149 . 7 1 1 A 14 14 SER N N 14 118.092 121.155 -3.063 1
1 150 . 7 1 1 A 15 15 LEU H H 15 8.965 8.392 0.573 1
1 151 . 7 1 1 A 15 15 LEU HA H 15 4.725 4.577 0.148 1
1 161 . 7 1 1 A 15 15 LEU CA C 15 53.203 53.022 0.181 1
1 162 . 7 1 1 A 15 15 LEU CB C 15 42.658 41.832 0.826 1
1 166 . 7 1 1 A 15 15 LEU N N 15 124.969 125.604 -0.635 1
1 167 . 7 1 1 A 16 16 PRO HA H 16 4.326 4.280 0.046 1
1 174 . 7 1 1 A 16 16 PRO C C 16 177.551 177.216 0.335 1
1 175 . 7 1 1 A 16 16 PRO CA C 16 64.262 63.830 0.432 1
1 176 . 7 1 1 A 16 16 PRO CB C 16 32.855 31.371 1.484 1
1 179 . 7 1 1 A 17 17 GLY H H 17 8.597 8.246 0.351 1
1 180 . 7 1 1 A 17 17 GLY HA2 H 17 4.091 3.961 0.130 1
1 181 . 7 1 1 A 17 17 GLY HA3 H 17 3.773 3.965 -0.192 1
1 182 . 7 1 1 A 17 17 GLY C C 17 173.908 175.663 -1.755 1
1 183 . 7 1 1 A 17 17 GLY CA C 17 46.155 45.725 0.430 1
1 184 . 7 1 1 A 17 17 GLY N N 17 110.651 111.929 -1.278 1
1 185 . 7 1 1 A 18 18 LEU H H 18 7.998 8.155 -0.157 1
1 186 . 7 1 1 A 18 18 LEU HA H 18 4.318 4.076 0.242 1
1 192 . 7 1 1 A 18 18 LEU CA C 18 56.800 57.025 -0.225 1
1 193 . 7 1 1 A 18 18 LEU CB C 18 43.502 42.141 1.361 1
1 195 . 7 1 1 A 18 18 LEU N N 18 122.006 122.673 -0.667 1
1 196 . 7 1 1 A 19 19 ASP HA H 19 4.330 5.067 -0.737 1
1 199 . 7 1 1 A 19 19 ASP CA C 19 56.800 52.713 4.087 1
1 200 . 7 1 1 A 19 19 ASP CB C 19 43.498 45.854 -2.356 1
1 201 . 7 1 1 A 20 20 GLN HA H 20 4.248 4.820 -0.572 1
1 208 . 7 1 1 A 20 20 GLN CA C 20 56.991 56.001 0.990 1
1 209 . 7 1 1 A 20 20 GLN CB C 20 31.005 30.873 0.132 1
1 212 . 7 1 1 A 21 21 GLN H H 21 7.823 8.740 -0.917 1
1 213 . 7 1 1 A 21 21 GLN HA H 21 4.478 4.925 -0.447 1
1 220 . 7 1 1 A 21 21 GLN C C 21 174.199 173.157 1.042 1
1 221 . 7 1 1 A 21 21 GLN CA C 21 56.424 54.694 1.730 1
1 222 . 7 1 1 A 21 21 GLN CB C 21 33.930 32.040 1.890 1
1 224 . 7 1 1 A 21 21 GLN N N 21 118.190 123.851 -5.661 1
1 226 . 7 1 1 A 22 22 ASP H H 22 8.549 8.665 -0.116 1
1 227 . 7 1 1 A 22 22 ASP HA H 22 4.708 4.735 -0.027 1
1 230 . 7 1 1 A 22 22 ASP C C 22 175.399 174.943 0.456 1
1 231 . 7 1 1 A 22 22 ASP CA C 22 54.415 53.017 1.398 1
1 232 . 7 1 1 A 22 22 ASP CB C 22 42.744 39.148 3.596 1
1 233 . 7 1 1 A 22 22 ASP N N 22 122.563 121.863 0.700 1
1 234 . 7 1 1 A 23 23 ILE H H 23 8.681 7.560 1.121 1
1 235 . 7 1 1 A 23 23 ILE HA H 23 4.726 4.552 0.174 1
1 245 . 7 1 1 A 23 23 ILE C C 23 174.896 175.169 -0.273 1
1 246 . 7 1 1 A 23 23 ILE CA C 23 60.384 60.123 0.261 1
1 247 . 7 1 1 A 23 23 ILE CB C 23 42.843 38.706 4.137 1
1 251 . 7 1 1 A 23 23 ILE N N 23 121.642 118.668 2.974 1
1 252 . 7 1 1 A 24 24 ASN H H 24 8.224 8.939 -0.715 1
1 253 . 7 1 1 A 24 24 ASN HA H 24 5.252 5.856 -0.604 1
1 258 . 7 1 1 A 24 24 ASN C C 24 174.672 174.023 0.649 1
1 259 . 7 1 1 A 24 24 ASN CA C 24 54.262 52.029 2.233 1
1 260 . 7 1 1 A 24 24 ASN CB C 24 40.495 41.048 -0.553 1
1 261 . 7 1 1 A 24 24 ASN N N 24 124.418 123.480 0.938 1
1 263 . 7 1 1 A 25 25 ILE H H 25 9.453 9.287 0.166 1
1 264 . 7 1 1 A 25 25 ILE HA H 25 4.896 4.802 0.094 1
1 274 . 7 1 1 A 25 25 ILE C C 25 173.645 174.886 -1.241 1
1 275 . 7 1 1 A 25 25 ILE CA C 25 61.580 60.491 1.089 1
1 276 . 7 1 1 A 25 25 ILE CB C 25 44.146 42.305 1.841 1
1 280 . 7 1 1 A 25 25 ILE N N 25 122.056 124.030 -1.974 1
1 281 . 7 1 1 A 26 26 HIS H H 26 9.716 8.832 0.884 1
1 282 . 7 1 1 A 26 26 HIS HA H 26 5.404 5.211 0.193 1
1 286 . 7 1 1 A 26 26 HIS C C 26 175.078 174.318 0.760 1
1 287 . 7 1 1 A 26 26 HIS CA C 26 55.881 54.864 1.017 1
1 288 . 7 1 1 A 26 26 HIS CB C 26 32.829 31.280 1.549 1
1 290 . 7 1 1 A 26 26 HIS N N 26 126.720 125.757 0.963 1
1 291 . 7 1 1 A 27 27 ILE H H 27 9.935 9.389 0.546 1
1 292 . 7 1 1 A 27 27 ILE HA H 27 5.096 4.910 0.186 1
1 302 . 7 1 1 A 27 27 ILE C C 27 174.860 174.213 0.647 1
1 303 . 7 1 1 A 27 27 ILE CA C 27 61.915 60.387 1.528 1
1 304 . 7 1 1 A 27 27 ILE CB C 27 40.667 39.451 1.216 1
1 308 . 7 1 1 A 27 27 ILE N N 27 123.352 124.231 -0.879 1
1 309 . 7 1 1 A 28 28 ARG H H 28 9.315 9.317 -0.002 1
1 310 . 7 1 1 A 28 28 ARG HA H 28 5.621 5.010 0.611 1
1 317 . 7 1 1 A 28 28 ARG C C 28 175.573 174.691 0.882 1
1 318 . 7 1 1 A 28 28 ARG CA C 28 54.904 54.561 0.343 1
1 319 . 7 1 1 A 28 28 ARG CB C 28 33.782 31.859 1.923 1
1 322 . 7 1 1 A 28 28 ARG N N 28 127.731 129.693 -1.962 1
1 323 . 7 1 1 A 29 29 TYR H H 29 7.656 8.410 -0.754 1
1 324 . 7 1 1 A 29 29 TYR HA H 29 5.831 5.836 -0.005 1
1 331 . 7 1 1 A 29 29 TYR C C 29 173.770 174.845 -1.075 1
1 332 . 7 1 1 A 29 29 TYR CA C 29 55.377 55.576 -0.199 1
1 333 . 7 1 1 A 29 29 TYR CB C 29 43.035 40.901 2.134 1
1 338 . 7 1 1 A 29 29 TYR N N 29 117.229 124.512 -7.283 1
1 339 . 7 1 1 A 30 30 GLU H H 30 8.323 8.490 -0.167 1
1 340 . 7 1 1 A 30 30 GLU HA H 30 4.381 4.679 -0.298 1
1 345 . 7 1 1 A 30 30 GLU C C 30 173.976 175.236 -1.260 1
1 346 . 7 1 1 A 30 30 GLU CA C 30 55.235 55.253 -0.018 1
1 347 . 7 1 1 A 30 30 GLU CB C 30 34.494 31.734 2.760 1
1 349 . 7 1 1 A 30 30 GLU N N 30 117.003 124.036 -7.033 1
1 350 . 7 1 1 A 31 31 VAL H H 31 8.957 8.485 0.472 1
1 351 . 7 1 1 A 31 31 VAL HA H 31 4.262 4.109 0.153 1
1 359 . 7 1 1 A 31 31 VAL C C 31 175.045 175.373 -0.328 1
1 360 . 7 1 1 A 31 31 VAL CA C 31 63.418 62.415 1.003 1
1 361 . 7 1 1 A 31 31 VAL CB C 31 32.211 31.015 1.196 1
1 364 . 7 1 1 A 31 31 VAL N N 31 125.299 125.354 -0.055 1
1 365 . 7 1 1 A 32 32 ARG H H 32 8.550 8.631 -0.081 1
1 366 . 7 1 1 A 32 32 ARG HA H 32 4.408 4.898 -0.490 1
1 373 . 7 1 1 A 32 32 ARG C C 32 173.222 174.155 -0.933 1
1 374 . 7 1 1 A 32 32 ARG CA C 32 55.048 53.983 1.065 1
1 375 . 7 1 1 A 32 32 ARG CB C 32 34.646 34.221 0.425 1
1 378 . 7 1 1 A 32 32 ARG N N 32 128.345 128.113 0.232 1
1 379 . 7 1 1 A 33 33 GLN H H 33 8.148 8.604 -0.456 1
1 380 . 7 1 1 A 33 33 GLN HA H 33 4.697 5.283 -0.586 1
1 387 . 7 1 1 A 33 33 GLN C C 33 175.419 175.440 -0.021 1
1 388 . 7 1 1 A 33 33 GLN CA C 33 55.943 54.700 1.243 1
1 389 . 7 1 1 A 33 33 GLN CB C 33 31.679 30.395 1.284 1
1 391 . 7 1 1 A 33 33 GLN N N 33 116.088 123.524 -7.436 1
1 393 . 7 1 1 A 34 34 ASN H H 34 8.323 8.889 -0.566 1
1 394 . 7 1 1 A 34 34 ASN HA H 34 4.825 5.141 -0.316 1
1 399 . 7 1 1 A 34 34 ASN CA C 34 53.468 52.130 1.338 1
1 400 . 7 1 1 A 34 34 ASN CB C 34 41.559 39.864 1.695 1
1 401 . 7 1 1 A 34 34 ASN N N 34 121.088 124.359 -3.271 1
1 403 . 7 1 1 A 35 35 ALA HA H 35 4.099 4.035 0.064 1
1 407 . 7 1 1 A 35 35 ALA C C 35 178.472 179.339 -0.867 1
1 408 . 7 1 1 A 35 35 ALA CA C 35 55.591 54.536 1.055 1
1 409 . 7 1 1 A 35 35 ALA CB C 35 19.600 18.432 1.168 1
1 410 . 7 1 1 A 36 36 GLU H H 36 8.362 7.988 0.374 1
1 411 . 7 1 1 A 36 36 GLU HA H 36 4.263 4.063 0.200 1
1 416 . 7 1 1 A 36 36 GLU C C 36 177.727 177.690 0.037 1
1 417 . 7 1 1 A 36 36 GLU CA C 36 59.010 58.927 0.083 1
1 418 . 7 1 1 A 36 36 GLU CB C 36 31.059 30.346 0.713 1
1 420 . 7 1 1 A 36 36 GLU N N 36 116.669 119.662 -2.993 1
1 421 . 7 1 1 A 37 37 SER H H 37 8.338 8.044 0.294 1
1 422 . 7 1 1 A 37 37 SER HA H 37 4.515 4.697 -0.182 1
1 425 . 7 1 1 A 37 37 SER C C 37 175.134 174.572 0.562 1
1 426 . 7 1 1 A 37 37 SER CA C 37 59.568 57.871 1.697 1
1 427 . 7 1 1 A 37 37 SER CB C 37 65.114 64.161 0.953 1
1 428 . 7 1 1 A 37 37 SER N N 37 111.971 112.851 -0.880 1
1 429 . 7 1 1 A 38 38 GLY H H 38 8.098 7.929 0.169 1
1 430 . 7 1 1 A 38 38 GLY HA2 H 38 4.294 3.988 0.306 1
1 431 . 7 1 1 A 38 38 GLY HA3 H 38 3.975 3.990 -0.015 1
1 432 . 7 1 1 A 38 38 GLY C C 38 173.759 174.031 -0.272 1
1 433 . 7 1 1 A 38 38 GLY CA C 38 45.904 46.451 -0.547 1
1 434 . 7 1 1 A 38 38 GLY N N 38 111.508 110.035 1.473 1
1 435 . 7 1 1 A 39 39 ALA H H 39 8.450 8.090 0.360 1
1 436 . 7 1 1 A 39 39 ALA HA H 39 4.902 4.678 0.224 1
1 440 . 7 1 1 A 39 39 ALA C C 39 177.193 177.135 0.058 1
1 441 . 7 1 1 A 39 39 ALA CA C 39 52.880 51.962 0.918 1
1 442 . 7 1 1 A 39 39 ALA CB C 39 20.714 19.870 0.844 1
1 443 . 7 1 1 A 39 39 ALA N N 39 124.210 126.516 -2.306 1
1 444 . 7 1 1 A 40 40 TYR H H 40 8.854 8.514 0.340 1
1 445 . 7 1 1 A 40 40 TYR HA H 40 4.796 5.249 -0.453 1
1 452 . 7 1 1 A 40 40 TYR C C 40 171.595 172.572 -0.977 1
1 453 . 7 1 1 A 40 40 TYR CA C 40 56.552 56.063 0.489 1
1 454 . 7 1 1 A 40 40 TYR CB C 40 41.319 40.623 0.696 1
1 459 . 7 1 1 A 40 40 TYR N N 40 118.580 116.924 1.656 1
1 460 . 7 1 1 A 41 41 VAL H H 41 9.275 8.148 1.127 1
1 461 . 7 1 1 A 41 41 VAL HA H 41 4.430 4.514 -0.084 1
1 469 . 7 1 1 A 41 41 VAL C C 41 174.098 173.628 0.470 1
1 470 . 7 1 1 A 41 41 VAL CA C 41 61.566 60.389 1.177 1
1 471 . 7 1 1 A 41 41 VAL CB C 41 33.852 34.535 -0.683 1
1 474 . 7 1 1 A 41 41 VAL N N 41 118.445 119.078 -0.633 1
1 475 . 7 1 1 A 42 42 HIS H H 42 8.789 8.493 0.296 1
1 476 . 7 1 1 A 42 42 HIS HA H 42 4.814 4.660 0.154 1
1 480 . 7 1 1 A 42 42 HIS C C 42 172.353 172.818 -0.465 1
1 481 . 7 1 1 A 42 42 HIS CA C 42 56.537 55.584 0.953 1
1 482 . 7 1 1 A 42 42 HIS CB C 42 31.587 30.987 0.600 1
1 484 . 7 1 1 A 42 42 HIS N N 42 125.741 126.510 -0.769 1
1 485 . 7 1 1 A 43 43 PHE H H 43 8.604 8.571 0.033 1
1 486 . 7 1 1 A 43 43 PHE HA H 43 4.933 4.705 0.228 1
1 494 . 7 1 1 A 43 43 PHE C C 43 174.119 173.684 0.435 1
1 495 . 7 1 1 A 43 43 PHE CA C 43 56.591 56.491 0.100 1
1 496 . 7 1 1 A 43 43 PHE CB C 43 41.053 39.232 1.821 1
1 502 . 7 1 1 A 43 43 PHE N N 43 125.631 126.630 -0.999 1
1 503 . 7 1 1 A 44 44 ASP H H 44 9.322 8.879 0.443 1
1 504 . 7 1 1 A 44 44 ASP HA H 44 5.187 5.306 -0.119 1
1 507 . 7 1 1 A 44 44 ASP C C 44 175.076 174.536 0.540 1
1 508 . 7 1 1 A 44 44 ASP CA C 44 55.145 52.579 2.566 1
1 509 . 7 1 1 A 44 44 ASP CB C 44 45.197 44.023 1.174 1
1 510 . 7 1 1 A 44 44 ASP N N 44 121.184 125.493 -4.309 1
1 511 . 7 1 1 A 45 45 MET H H 45 9.110 8.648 0.462 1
1 512 . 7 1 1 A 45 45 MET HA H 45 5.765 5.739 0.026 1
1 520 . 7 1 1 A 45 45 MET C C 45 173.254 173.952 -0.698 1
1 521 . 7 1 1 A 45 45 MET CA C 45 54.810 54.524 0.286 1
1 522 . 7 1 1 A 45 45 MET CB C 45 38.632 36.928 1.704 1
1 525 . 7 1 1 A 45 45 MET N N 45 121.976 123.098 -1.122 1
1 526 . 7 1 1 A 46 46 ASP H H 46 8.763 8.448 0.315 1
1 527 . 7 1 1 A 46 46 ASP HA H 46 4.373 4.862 -0.489 1
1 530 . 7 1 1 A 46 46 ASP C C 46 173.396 174.078 -0.682 1
1 531 . 7 1 1 A 46 46 ASP CA C 46 53.810 52.458 1.352 1
1 532 . 7 1 1 A 46 46 ASP CB C 46 44.722 43.782 0.940 1
1 533 . 7 1 1 A 46 46 ASP N N 46 121.797 121.066 0.731 1
1 534 . 7 1 1 A 47 47 GLY H H 47 7.154 7.734 -0.580 1
1 535 . 7 1 1 A 47 47 GLY HA2 H 47 5.075 3.967 1.108 1
1 536 . 7 1 1 A 47 47 GLY HA3 H 47 3.927 4.011 -0.084 1
1 537 . 7 1 1 A 47 47 GLY C C 47 172.328 171.938 0.390 1
1 538 . 7 1 1 A 47 47 GLY CA C 47 45.820 45.394 0.426 1
1 539 . 7 1 1 A 47 47 GLY N N 47 105.470 105.529 -0.059 1
1 540 . 7 1 1 A 48 48 GLU H H 48 9.100 8.942 0.158 1
1 541 . 7 1 1 A 48 48 GLU HA H 48 5.257 5.473 -0.216 1
1 546 . 7 1 1 A 48 48 GLU C C 48 175.019 174.411 0.608 1
1 547 . 7 1 1 A 48 48 GLU CA C 48 56.247 54.963 1.284 1
1 548 . 7 1 1 A 48 48 GLU CB C 48 35.076 34.007 1.069 1
1 550 . 7 1 1 A 48 48 GLU N N 48 119.799 119.336 0.463 1
1 551 . 7 1 1 A 49 49 ILE H H 49 7.945 8.696 -0.751 1
1 552 . 7 1 1 A 49 49 ILE HA H 49 4.540 4.714 -0.174 1
1 562 . 7 1 1 A 49 49 ILE C C 49 176.382 175.972 0.410 1
1 563 . 7 1 1 A 49 49 ILE CA C 49 61.321 60.453 0.868 1
1 564 . 7 1 1 A 49 49 ILE CB C 49 41.847 40.364 1.483 1
1 568 . 7 1 1 A 49 49 ILE N N 49 120.718 120.720 -0.002 1
1 569 . 7 1 1 A 50 50 ASP H H 50 10.048 9.358 0.690 1
1 570 . 7 1 1 A 50 50 ASP HA H 50 4.522 4.301 0.221 1
1 573 . 7 1 1 A 50 50 ASP C C 50 176.193 175.256 0.937 1
1 574 . 7 1 1 A 50 50 ASP CA C 50 56.872 55.114 1.758 1
1 575 . 7 1 1 A 50 50 ASP CB C 50 40.754 39.897 0.857 1
1 576 . 7 1 1 A 50 50 ASP N N 50 130.256 127.845 2.411 1
1 577 . 7 1 1 A 51 51 GLY H H 51 9.048 8.380 0.668 1
1 578 . 7 1 1 A 51 51 GLY HA2 H 51 4.126 3.896 0.230 1
1 579 . 7 1 1 A 51 51 GLY HA3 H 51 3.660 3.900 -0.240 1
1 580 . 7 1 1 A 51 51 GLY C C 51 173.935 173.933 0.002 1
1 581 . 7 1 1 A 51 51 GLY CA C 51 46.194 45.318 0.876 1
1 582 . 7 1 1 A 51 51 GLY N N 51 103.446 104.717 -1.271 1
1 583 . 7 1 1 A 52 52 LYS H H 52 7.905 7.403 0.502 1
1 584 . 7 1 1 A 52 52 LYS HA H 52 5.014 4.652 0.362 1
1 593 . 7 1 1 A 52 52 LYS CA C 52 53.809 53.263 0.546 1
1 594 . 7 1 1 A 52 52 LYS CB C 52 33.788 32.874 0.914 1
1 598 . 7 1 1 A 52 52 LYS N N 52 122.692 121.711 0.981 1
1 599 . 7 1 1 A 53 53 PRO HA H 53 5.523 5.377 0.146 1
1 606 . 7 1 1 A 53 53 PRO C C 53 176.300 176.561 -0.261 1
1 607 . 7 1 1 A 53 53 PRO CA C 53 62.896 62.550 0.346 1
1 608 . 7 1 1 A 53 53 PRO CB C 53 33.920 33.243 0.677 1
1 611 . 7 1 1 A 54 54 PHE H H 54 8.643 8.661 -0.018 1
1 612 . 7 1 1 A 54 54 PHE HA H 54 4.907 5.179 -0.272 1
1 620 . 7 1 1 A 54 54 PHE C C 54 172.840 173.065 -0.225 1
1 621 . 7 1 1 A 54 54 PHE CA C 54 57.173 56.016 1.157 1
1 622 . 7 1 1 A 54 54 PHE CB C 54 43.620 42.074 1.546 1
1 628 . 7 1 1 A 54 54 PHE N N 54 117.436 118.241 -0.805 1
1 629 . 7 1 1 A 55 55 SER H H 55 8.009 8.649 -0.640 1
1 630 . 7 1 1 A 55 55 SER HA H 55 4.822 5.073 -0.251 1
1 633 . 7 1 1 A 55 55 SER C C 55 172.856 172.389 0.467 1
1 634 . 7 1 1 A 55 55 SER CA C 55 58.238 57.531 0.707 1
1 635 . 7 1 1 A 55 55 SER CB C 55 66.163 65.466 0.697 1
1 636 . 7 1 1 A 55 55 SER N N 55 113.907 115.775 -1.868 1
1 637 . 7 1 1 A 56 56 ASP H H 56 9.593 8.782 0.811 1
1 638 . 7 1 1 A 56 56 ASP HA H 56 4.985 5.348 -0.363 1
1 641 . 7 1 1 A 56 56 ASP C C 56 175.049 174.325 0.724 1
1 642 . 7 1 1 A 56 56 ASP CA C 56 54.043 53.519 0.524 1
1 643 . 7 1 1 A 56 56 ASP CB C 56 46.425 45.017 1.408 1
1 644 . 7 1 1 A 56 56 ASP N N 56 125.145 125.160 -0.015 1
1 645 . 7 1 1 A 57 57 SER H H 57 10.207 8.714 1.493 1
1 646 . 7 1 1 A 57 57 SER HA H 57 5.383 5.445 -0.062 1
1 649 . 7 1 1 A 57 57 SER C C 57 172.452 173.429 -0.977 1
1 650 . 7 1 1 A 57 57 SER CA C 57 59.008 57.074 1.934 1
1 651 . 7 1 1 A 57 57 SER CB C 57 67.802 66.374 1.428 1
1 652 . 7 1 1 A 57 57 SER N N 57 115.172 115.744 -0.572 1
1 653 . 7 1 1 A 58 58 PHE H H 58 8.623 8.950 -0.327 1
1 654 . 7 1 1 A 58 58 PHE HA H 58 4.904 5.801 -0.897 1
1 662 . 7 1 1 A 58 58 PHE C C 58 172.447 173.142 -0.695 1
1 663 . 7 1 1 A 58 58 PHE CA C 58 57.781 55.529 2.252 1
1 664 . 7 1 1 A 58 58 PHE CB C 58 40.736 42.842 -2.106 1
1 670 . 7 1 1 A 58 58 PHE N N 58 115.065 118.090 -3.025 1
1 671 . 7 1 1 A 59 59 GLU H H 59 8.721 9.045 -0.324 1
1 672 . 7 1 1 A 59 59 GLU HA H 59 5.595 5.227 0.368 1
1 677 . 7 1 1 A 59 59 GLU C C 59 175.836 175.577 0.259 1
1 678 . 7 1 1 A 59 59 GLU CA C 59 55.290 55.597 -0.307 1
1 679 . 7 1 1 A 59 59 GLU CB C 59 34.345 32.391 1.954 1
1 681 . 7 1 1 A 59 59 GLU N N 59 118.122 120.562 -2.440 1
1 682 . 7 1 1 A 60 60 LEU H H 60 9.016 8.804 0.212 1
1 683 . 7 1 1 A 60 60 LEU HA H 60 5.221 4.976 0.245 1
1 693 . 7 1 1 A 60 60 LEU CA C 60 52.275 51.115 1.160 1
1 694 . 7 1 1 A 60 60 LEU CB C 60 46.774 45.438 1.336 1
1 698 . 7 1 1 A 60 60 LEU N N 60 121.299 126.097 -4.798 1
1 699 . 7 1 1 A 61 61 PRO HA H 61 4.614 4.641 -0.027 1
1 706 . 7 1 1 A 61 61 PRO C C 61 176.316 177.810 -1.494 1
1 707 . 7 1 1 A 61 61 PRO CA C 61 62.719 62.826 -0.107 1
1 708 . 7 1 1 A 61 61 PRO CB C 61 33.758 32.525 1.233 1
1 711 . 7 1 1 A 62 62 ARG H H 62 8.017 8.558 -0.541 1
1 712 . 7 1 1 A 62 62 ARG HA H 62 3.738 3.908 -0.170 1
1 719 . 7 1 1 A 62 62 ARG C C 62 176.976 177.404 -0.428 1
1 720 . 7 1 1 A 62 62 ARG CA C 62 60.653 59.190 1.463 1
1 721 . 7 1 1 A 62 62 ARG CB C 62 31.549 29.806 1.743 1
1 724 . 7 1 1 A 62 62 ARG N N 62 118.159 122.726 -4.567 1
1 725 . 7 1 1 A 63 63 ASP H H 63 8.665 8.043 0.622 1
1 726 . 7 1 1 A 63 63 ASP HA H 63 4.484 4.672 -0.188 1
1 729 . 7 1 1 A 63 63 ASP C C 63 177.483 177.340 0.143 1
1 730 . 7 1 1 A 63 63 ASP CA C 63 57.335 56.443 0.892 1
1 731 . 7 1 1 A 63 63 ASP CB C 63 41.410 41.002 0.408 1
1 732 . 7 1 1 A 63 63 ASP N N 63 113.726 118.725 -4.999 1
1 733 . 7 1 1 A 64 64 THR H H 64 7.553 7.728 -0.175 1
1 734 . 7 1 1 A 64 64 THR HA H 64 4.562 4.787 -0.225 1
1 739 . 7 1 1 A 64 64 THR C C 64 175.654 175.444 0.210 1
1 740 . 7 1 1 A 64 64 THR CA C 64 61.499 60.906 0.593 1
1 741 . 7 1 1 A 64 64 THR CB C 64 69.606 70.018 -0.412 1
1 743 . 7 1 1 A 64 64 THR N N 64 107.855 106.266 1.589 1
1 744 . 7 1 1 A 65 65 ALA H H 65 7.406 7.597 -0.191 1
1 745 . 7 1 1 A 65 65 ALA HA H 65 4.012 4.255 -0.243 1
1 749 . 7 1 1 A 65 65 ALA C C 65 176.820 179.686 -2.866 1
1 750 . 7 1 1 A 65 65 ALA CA C 65 55.939 54.892 1.047 1
1 751 . 7 1 1 A 65 65 ALA CB C 65 19.454 18.189 1.265 1
1 752 . 7 1 1 A 65 65 ALA N N 65 123.777 125.886 -2.109 1
1 753 . 7 1 1 A 66 66 PHE H H 66 7.583 7.486 0.097 1
1 754 . 7 1 1 A 66 66 PHE HA H 66 4.381 4.347 0.034 1
1 762 . 7 1 1 A 66 66 PHE C C 66 176.104 178.275 -2.171 1
1 763 . 7 1 1 A 66 66 PHE CA C 66 58.836 61.085 -2.249 1
1 764 . 7 1 1 A 66 66 PHE CB C 66 37.740 37.965 -0.225 1
1 770 . 7 1 1 A 66 66 PHE N N 66 110.346 116.151 -5.805 1
1 771 . 7 1 1 A 67 67 ASN H H 67 7.984 8.391 -0.407 1
1 772 . 7 1 1 A 67 67 ASN HA H 67 4.848 4.854 -0.006 1
1 777 . 7 1 1 A 67 67 ASN C C 67 175.700 177.247 -1.547 1
1 778 . 7 1 1 A 67 67 ASN CA C 67 53.469 54.876 -1.407 1
1 779 . 7 1 1 A 67 67 ASN CB C 67 38.836 38.104 0.732 1
1 780 . 7 1 1 A 67 67 ASN N N 67 120.591 118.345 2.246 1
1 782 . 7 1 1 A 68 68 PHE H H 68 7.218 7.816 -0.598 1
1 783 . 7 1 1 A 68 68 PHE HA H 68 4.054 4.463 -0.409 1
1 790 . 7 1 1 A 68 68 PHE C C 68 174.796 177.035 -2.239 1
1 791 . 7 1 1 A 68 68 PHE CA C 68 60.849 59.184 1.665 1
1 792 . 7 1 1 A 68 68 PHE CB C 68 40.263 36.972 3.291 1
1 797 . 7 1 1 A 68 68 PHE N N 68 115.915 118.693 -2.778 1
1 798 . 7 1 1 A 69 69 ALA H H 69 7.780 7.962 -0.182 1
1 799 . 7 1 1 A 69 69 ALA HA H 69 3.484 3.238 0.246 1
1 803 . 7 1 1 A 69 69 ALA C C 69 180.022 179.544 0.478 1
1 804 . 7 1 1 A 69 69 ALA CA C 69 56.283 54.694 1.589 1
1 805 . 7 1 1 A 69 69 ALA CB C 69 18.935 18.449 0.486 1
1 806 . 7 1 1 A 69 69 ALA N N 69 124.604 123.672 0.932 1
1 807 . 7 1 1 A 70 70 SER H H 70 7.852 8.098 -0.246 1
1 808 . 7 1 1 A 70 70 SER HA H 70 4.061 4.066 -0.005 1
1 811 . 7 1 1 A 70 70 SER C C 70 177.054 176.189 0.865 1
1 812 . 7 1 1 A 70 70 SER CA C 70 62.085 61.358 0.727 1
1 813 . 7 1 1 A 70 70 SER CB C 70 62.976 62.428 0.548 1
1 814 . 7 1 1 A 70 70 SER N N 70 114.973 112.876 2.097 1
1 815 . 7 1 1 A 71 71 ASP H H 71 7.602 7.586 0.016 1
1 816 . 7 1 1 A 71 71 ASP HA H 71 4.012 4.178 -0.166 1
1 819 . 7 1 1 A 71 71 ASP C C 71 177.086 177.869 -0.783 1
1 820 . 7 1 1 A 71 71 ASP CA C 71 58.501 56.879 1.622 1
1 821 . 7 1 1 A 71 71 ASP CB C 71 42.006 40.883 1.123 1
1 822 . 7 1 1 A 71 71 ASP N N 71 123.211 122.287 0.924 1
1 823 . 7 1 1 A 72 72 ALA H H 72 8.406 8.196 0.210 1
1 824 . 7 1 1 A 72 72 ALA HA H 72 3.671 4.244 -0.573 1
1 828 . 7 1 1 A 72 72 ALA C C 72 179.377 179.657 -0.280 1
1 829 . 7 1 1 A 72 72 ALA CA C 72 55.717 55.338 0.379 1
1 830 . 7 1 1 A 72 72 ALA CB C 72 18.658 18.872 -0.214 1
1 831 . 7 1 1 A 72 72 ALA N N 72 119.793 121.152 -1.359 1
1 832 . 7 1 1 A 73 73 THR H H 73 7.631 8.022 -0.391 1
1 833 . 7 1 1 A 73 73 THR HA H 73 3.562 3.967 -0.405 1
1 838 . 7 1 1 A 73 73 THR C C 73 175.072 176.119 -1.047 1
1 839 . 7 1 1 A 73 73 THR CA C 73 68.525 66.740 1.785 1
1 840 . 7 1 1 A 73 73 THR CB C 73 69.564 68.418 1.146 1
1 842 . 7 1 1 A 73 73 THR N N 73 114.702 114.680 0.022 1
1 843 . 7 1 1 A 74 74 ARG H H 74 7.629 7.884 -0.255 1
1 844 . 7 1 1 A 74 74 ARG HA H 74 3.795 4.115 -0.320 1
1 851 . 7 1 1 A 74 74 ARG C C 74 176.832 178.591 -1.759 1
1 852 . 7 1 1 A 74 74 ARG CA C 74 60.580 58.886 1.694 1
1 853 . 7 1 1 A 74 74 ARG CB C 74 30.409 29.592 0.817 1
1 856 . 7 1 1 A 74 74 ARG N N 74 122.528 120.855 1.673 1
1 857 . 7 1 1 A 75 75 VAL H H 75 8.008 8.108 -0.100 1
1 858 . 7 1 1 A 75 75 VAL HA H 75 3.439 3.631 -0.192 1
1 866 . 7 1 1 A 75 75 VAL C C 75 177.802 178.179 -0.377 1
1 867 . 7 1 1 A 75 75 VAL CA C 75 67.492 66.306 1.186 1
1 868 . 7 1 1 A 75 75 VAL CB C 75 32.220 31.582 0.638 1
1 871 . 7 1 1 A 75 75 VAL N N 75 120.044 119.852 0.192 1
1 872 . 7 1 1 A 76 76 ALA H H 76 8.092 7.688 0.404 1
1 873 . 7 1 1 A 76 76 ALA HA H 76 3.537 3.741 -0.204 1
1 877 . 7 1 1 A 76 76 ALA C C 76 180.078 179.538 0.540 1
1 878 . 7 1 1 A 76 76 ALA CA C 76 56.194 55.272 0.922 1
1 879 . 7 1 1 A 76 76 ALA CB C 76 18.882 17.900 0.982 1
1 880 . 7 1 1 A 76 76 ALA N N 76 120.726 121.856 -1.130 1
1 881 . 7 1 1 A 77 77 GLN H H 77 8.432 8.108 0.324 1
1 882 . 7 1 1 A 77 77 GLN HA H 77 4.428 4.217 0.211 1
1 885 . 7 1 1 A 77 77 GLN CA C 77 58.987 58.499 0.488 1
1 887 . 7 1 1 A 77 77 GLN N N 77 118.235 117.912 0.323 1
1 888 . 7 1 1 A 78 78 LYS H H 78 7.655 7.943 -0.288 1
1 889 . 7 1 1 A 78 78 LYS HA H 78 3.874 4.033 -0.159 1
1 898 . 7 1 1 A 78 78 LYS C C 78 177.044 178.706 -1.662 1
1 899 . 7 1 1 A 78 78 LYS CA C 78 59.393 58.813 0.580 1
1 900 . 7 1 1 A 78 78 LYS CB C 78 32.583 32.252 0.331 1
1 904 . 7 1 1 A 78 78 LYS N N 78 121.797 120.828 0.969 1
1 905 . 7 1 1 A 79 79 HIS H H 79 6.888 7.606 -0.718 1
1 906 . 7 1 1 A 79 79 HIS HA H 79 4.501 4.389 0.112 1
1 909 . 7 1 1 A 79 79 HIS C C 79 174.191 175.278 -1.087 1
1 910 . 7 1 1 A 79 79 HIS CA C 79 56.166 58.341 -2.175 1
1 911 . 7 1 1 A 79 79 HIS CB C 79 30.993 30.558 0.435 1
1 912 . 7 1 1 A 79 79 HIS N N 79 115.368 119.778 -4.410 1
1 913 . 7 1 1 A 80 80 GLY H H 80 7.159 7.611 -0.452 1
1 914 . 7 1 1 A 80 80 GLY HA2 H 80 4.433 3.951 0.482 1
1 915 . 7 1 1 A 80 80 GLY HA3 H 80 3.541 3.955 -0.414 1
1 916 . 7 1 1 A 80 80 GLY C C 80 175.246 174.649 0.597 1
1 917 . 7 1 1 A 80 80 GLY CA C 80 45.823 45.018 0.805 1
1 918 . 7 1 1 A 80 80 GLY N N 80 104.319 106.688 -2.369 1
1 919 . 7 1 1 A 81 81 LEU H H 81 7.962 7.874 0.088 1
1 920 . 7 1 1 A 81 81 LEU HA H 81 4.012 4.511 -0.499 1
1 930 . 7 1 1 A 81 81 LEU CA C 81 56.383 54.640 1.743 1
1 931 . 7 1 1 A 81 81 LEU CB C 81 43.506 43.446 0.060 1
1 935 . 7 1 1 A 81 81 LEU N N 81 124.945 123.204 1.741 1
1 936 . 7 1 1 A 83 83 PRO HA H 83 4.248 4.420 -0.172 1
1 943 . 7 1 1 A 83 83 PRO CA C 83 65.606 62.225 3.381 1
1 944 . 7 1 1 A 83 83 PRO CB C 83 32.805 29.897 2.908 1
1 947 . 7 1 1 A 84 84 LYS HA H 84 4.132 4.060 0.072 1
1 956 . 7 1 1 A 84 84 LYS CA C 84 59.351 59.368 -0.017 1
1 957 . 7 1 1 A 84 84 LYS CB C 84 33.109 32.113 0.996 1
1 961 . 7 1 1 A 85 85 PHE HA H 85 3.941 4.212 -0.271 1
1 964 . 7 1 1 A 85 85 PHE CA C 85 59.693 60.982 -1.289 1
1 965 . 7 1 1 A 85 85 PHE CB C 85 39.968 38.955 1.013 1
1 966 . 7 1 1 A 86 86 GLY HA2 H 86 3.721 3.793 -0.072 1
1 967 . 7 1 1 A 86 86 GLY HA3 H 86 3.659 3.838 -0.179 1
1 968 . 7 1 1 A 86 86 GLY CA C 86 44.471 47.321 -2.850 1
1 969 . 7 1 1 A 87 87 ALA HA H 87 4.274 4.482 -0.208 1
1 973 . 7 1 1 A 87 87 ALA CA C 87 53.390 51.694 1.696 1
1 974 . 7 1 1 A 87 87 ALA CB C 87 20.262 19.678 0.584 1
1 975 . 7 1 1 A 88 88 ILE HA H 88 4.015 4.397 -0.382 1
1 985 . 7 1 1 A 88 88 ILE CA C 88 63.697 60.125 3.572 1
1 986 . 7 1 1 A 88 88 ILE CB C 88 38.931 41.203 -2.272 1
1 990 . 7 1 1 A 89 89 THR HA H 89 4.224 4.322 -0.098 1
1 994 . 7 1 1 A 89 89 THR CA C 89 63.088 63.298 -0.210 1
1 996 . 7 1 1 A 90 90 ARG HA H 90 4.105 4.465 -0.360 1
1 1003 . 7 1 1 A 90 90 ARG CA C 90 58.412 55.193 3.219 1
1 1004 . 7 1 1 A 90 90 ARG CB C 90 30.907 28.748 2.159 1
1 1007 . 7 1 1 A 91 91 VAL HA H 91 4.047 4.677 -0.630 1
1 1015 . 7 1 1 A 91 91 VAL C C 91 175.627 174.830 0.797 1
1 1016 . 7 1 1 A 91 91 VAL CA C 91 62.923 61.062 1.861 1
1 1017 . 7 1 1 A 91 91 VAL CB C 91 32.060 33.383 -1.323 1
1 1020 . 7 1 1 A 92 92 HIS HA H 92 4.567 4.919 -0.352 1
1 1023 . 7 1 1 A 92 92 HIS CA C 92 57.021 55.946 1.075 1
1 1024 . 7 1 1 A 92 92 HIS CB C 92 31.579 31.253 0.326 1
1 1025 . 7 1 1 A 93 93 LYS H H 93 8.490 8.218 0.272 1
1 1026 . 7 1 1 A 93 93 LYS HA H 93 4.149 4.221 -0.072 1
1 1035 . 7 1 1 A 93 93 LYS CA C 93 58.472 55.201 3.271 1
1 1036 . 7 1 1 A 93 93 LYS CB C 93 32.632 30.670 1.962 1
1 1040 . 7 1 1 A 93 93 LYS N N 93 123.001 124.911 -1.910 1
1 1041 . 7 1 1 A 94 94 GLU HA H 94 4.265 4.049 0.216 1
1 1046 . 7 1 1 A 94 94 GLU CA C 94 57.682 58.969 -1.287 1
1 1047 . 7 1 1 A 94 94 GLU CB C 94 30.952 29.955 0.997 1
1 1049 . 7 1 1 A 95 95 TYR HA H 95 4.205 4.279 -0.074 1
1 1056 . 7 1 1 A 95 95 TYR C C 95 176.555 177.551 -0.996 1
1 1057 . 7 1 1 A 95 95 TYR CA C 95 60.582 61.151 -0.569 1
1 1058 . 7 1 1 A 95 95 TYR CB C 95 39.000 38.532 0.468 1
1 1063 . 7 1 1 A 96 96 ASP H H 96 8.104 8.436 -0.332 1
1 1064 . 7 1 1 A 96 96 ASP HA H 96 4.252 4.195 0.057 1
1 1067 . 7 1 1 A 96 96 ASP CA C 96 58.583 57.702 0.881 1
1 1068 . 7 1 1 A 96 96 ASP CB C 96 41.058 42.064 -1.006 1
1 1069 . 7 1 1 A 96 96 ASP N N 96 120.068 119.644 0.424 1
1 1070 . 7 1 1 A 97 97 ALA HA H 97 3.964 4.081 -0.117 1
1 1074 . 7 1 1 A 97 97 ALA C C 97 179.912 179.191 0.721 1
1 1075 . 7 1 1 A 97 97 ALA CA C 97 55.582 55.288 0.294 1
1 1076 . 7 1 1 A 97 97 ALA CB C 97 18.849 18.544 0.305 1
1 1077 . 7 1 1 A 98 98 MET H H 98 7.422 7.990 -0.568 1
1 1078 . 7 1 1 A 98 98 MET HA H 98 3.847 4.141 -0.294 1
1 1083 . 7 1 1 A 98 98 MET C C 98 177.185 178.180 -0.995 1
1 1084 . 7 1 1 A 98 98 MET CA C 98 59.943 58.215 1.728 1
1 1085 . 7 1 1 A 98 98 MET CB C 98 32.583 32.011 0.572 1
1 1087 . 7 1 1 A 98 98 MET N N 98 120.651 118.879 1.772 1
1 1088 . 7 1 1 A 99 99 PHE H H 99 8.652 8.621 0.031 1
1 1089 . 7 1 1 A 99 99 PHE HA H 99 4.150 4.098 0.052 1
1 1097 . 7 1 1 A 99 99 PHE C C 99 177.911 177.648 0.263 1
1 1098 . 7 1 1 A 99 99 PHE CA C 99 61.936 61.845 0.091 1
1 1099 . 7 1 1 A 99 99 PHE CB C 99 39.302 39.095 0.207 1
1 1105 . 7 1 1 A 99 99 PHE N N 99 119.857 120.802 -0.945 1
1 1106 . 7 1 1 A 100 100 GLU H H 100 8.232 7.831 0.401 1
1 1107 . 7 1 1 A 100 100 GLU HA H 100 4.094 4.259 -0.165 1
1 1112 . 7 1 1 A 100 100 GLU CA C 100 59.579 59.437 0.142 1
1 1113 . 7 1 1 A 100 100 GLU CB C 100 29.878 28.902 0.976 1
1 1115 . 7 1 1 A 100 100 GLU N N 100 117.666 118.691 -1.025 1
1 1116 . 7 1 1 A 101 101 ASP HA H 101 4.568 4.462 0.106 1
1 1119 . 7 1 1 A 101 101 ASP C C 101 177.667 178.684 -1.017 1
1 1120 . 7 1 1 A 101 101 ASP CA C 101 58.940 57.855 1.085 1
1 1121 . 7 1 1 A 101 101 ASP CB C 101 43.462 41.394 2.068 1
1 1122 . 7 1 1 A 102 102 ILE H H 102 8.370 8.167 0.203 1
1 1123 . 7 1 1 A 102 102 ILE HA H 102 3.319 3.651 -0.332 1
1 1133 . 7 1 1 A 102 102 ILE C C 102 177.347 178.500 -1.153 1
1 1134 . 7 1 1 A 102 102 ILE CA C 102 67.567 65.294 2.273 1
1 1135 . 7 1 1 A 102 102 ILE CB C 102 38.766 37.807 0.959 1
1 1139 . 7 1 1 A 102 102 ILE N N 102 118.449 119.293 -0.844 1
1 1140 . 7 1 1 A 103 103 ARG H H 103 8.450 8.461 -0.011 1
1 1141 . 7 1 1 A 103 103 ARG HA H 103 3.834 4.258 -0.424 1
1 1148 . 7 1 1 A 103 103 ARG C C 103 178.760 178.443 0.317 1
1 1149 . 7 1 1 A 103 103 ARG CA C 103 61.318 58.742 2.576 1
1 1150 . 7 1 1 A 103 103 ARG CB C 103 30.978 30.054 0.924 1
1 1153 . 7 1 1 A 103 103 ARG N N 103 118.941 120.736 -1.795 1
1 1154 . 7 1 1 A 104 104 ALA H H 104 8.289 7.690 0.599 1
1 1155 . 7 1 1 A 104 104 ALA HA H 104 4.072 4.083 -0.011 1
1 1159 . 7 1 1 A 104 104 ALA C C 104 181.340 179.470 1.870 1
1 1160 . 7 1 1 A 104 104 ALA CA C 104 56.021 55.386 0.635 1
1 1161 . 7 1 1 A 104 104 ALA CB C 104 18.962 18.629 0.333 1
1 1162 . 7 1 1 A 104 104 ALA N N 104 121.028 122.303 -1.275 1
1 1163 . 7 1 1 A 105 105 LYS H H 105 8.231 8.009 0.222 1
1 1164 . 7 1 1 A 105 105 LYS HA H 105 4.013 3.969 0.044 1
1 1173 . 7 1 1 A 105 105 LYS C C 105 179.414 179.279 0.135 1
1 1174 . 7 1 1 A 105 105 LYS CA C 105 60.025 59.976 0.049 1
1 1175 . 7 1 1 A 105 105 LYS CB C 105 34.341 32.252 2.089 1
1 1179 . 7 1 1 A 105 105 LYS N N 105 118.789 118.725 0.064 1
1 1180 . 7 1 1 A 106 106 LEU H H 106 8.289 8.179 0.110 1
1 1181 . 7 1 1 A 106 106 LEU HA H 106 4.043 3.985 0.058 1
1 1191 . 7 1 1 A 106 106 LEU C C 106 178.091 179.170 -1.079 1
1 1192 . 7 1 1 A 106 106 LEU CA C 106 57.469 57.781 -0.312 1
1 1193 . 7 1 1 A 106 106 LEU CB C 106 43.248 40.853 2.395 1
1 1197 . 7 1 1 A 106 106 LEU N N 106 119.086 119.291 -0.205 1
1 1198 . 7 1 1 A 107 107 HIS H H 107 7.861 8.316 -0.455 1
1 1199 . 7 1 1 A 107 107 HIS HA H 107 4.428 4.227 0.201 1
1 1203 . 7 1 1 A 107 107 HIS C C 107 175.263 174.949 0.314 1
1 1204 . 7 1 1 A 107 107 HIS CA C 107 58.218 59.181 -0.963 1
1 1205 . 7 1 1 A 107 107 HIS CB C 107 30.819 29.964 0.855 1
1 1207 . 7 1 1 A 107 107 HIS N N 107 118.172 118.310 -0.138 1
1 1208 . 7 1 1 A 108 108 ALA H H 108 7.505 7.833 -0.328 1
1 1209 . 7 1 1 A 108 108 ALA HA H 108 4.218 3.989 0.229 1
1 1213 . 7 1 1 A 108 108 ALA C C 108 179.374 175.780 3.594 1
1 1214 . 7 1 1 A 108 108 ALA CA C 108 53.303 53.999 -0.696 1
1 1215 . 7 1 1 A 108 108 ALA CB C 108 20.005 18.000 2.005 1
1 1216 . 7 1 1 A 108 108 ALA N N 108 121.363 120.704 0.659 1
1 1217 . 7 1 1 A 109 109 HIS H H 109 7.987 8.047 -0.060 1
1 1218 . 7 1 1 A 109 109 HIS HA H 109 4.770 5.048 -0.278 1
1 1221 . 7 1 1 A 109 109 HIS CA C 109 55.217 53.388 1.829 1
1 1222 . 7 1 1 A 109 109 HIS CB C 109 31.250 32.885 -1.635 1
1 1223 . 7 1 1 A 109 109 HIS N N 109 120.133 116.846 3.287 1
1 1224 . 7 1 1 A 110 110 PRO HA H 110 4.368 4.478 -0.110 1
1 1231 . 7 1 1 A 110 110 PRO C C 110 177.350 175.779 1.571 1
1 1232 . 7 1 1 A 110 110 PRO CA C 110 64.430 62.374 2.056 1
1 1233 . 7 1 1 A 110 110 PRO CB C 110 32.912 29.640 3.272 1
1 1236 . 7 1 1 A 111 111 GLY H H 111 8.492 8.643 -0.151 1
1 1237 . 7 1 1 A 111 111 GLY HA2 H 111 3.925 4.030 -0.105 1
1 1238 . 7 1 1 A 111 111 GLY HA3 H 111 3.925 4.047 -0.122 1
1 1239 . 7 1 1 A 111 111 GLY C C 111 173.681 173.678 0.003 1
1 1240 . 7 1 1 A 111 111 GLY CA C 111 45.831 45.806 0.025 1
1 1241 . 7 1 1 A 111 111 GLY N N 111 109.622 111.041 -1.419 1
1 1242 . 7 1 1 A 112 112 GLU H H 112 8.139 7.895 0.244 1
1 1243 . 7 1 1 A 112 112 GLU HA H 112 4.573 4.451 0.122 1
1 1248 . 7 1 1 A 112 112 GLU CA C 112 55.099 54.794 0.305 1
1 1249 . 7 1 1 A 112 112 GLU CB C 112 30.664 28.781 1.883 1
1 1251 . 7 1 1 A 112 112 GLU N N 112 121.771 121.577 0.194 1
1 1252 . 7 1 1 A 113 113 PRO HA H 113 4.411 4.516 -0.105 1
1 1259 . 7 1 1 A 113 113 PRO C C 113 176.943 176.018 0.925 1
1 1260 . 7 1 1 A 113 113 PRO CA C 113 63.990 62.522 1.468 1
1 1261 . 7 1 1 A 113 113 PRO CB C 113 32.817 30.090 2.727 1
1 1264 . 7 1 1 A 114 114 VAL H H 114 8.226 8.077 0.149 1
1 1265 . 7 1 1 A 114 114 VAL HA H 114 4.036 4.251 -0.215 1
1 1273 . 7 1 1 A 114 114 VAL C C 114 175.708 176.246 -0.538 1
1 1274 . 7 1 1 A 114 114 VAL CA C 114 63.021 61.859 1.162 1
1 1275 . 7 1 1 A 114 114 VAL CB C 114 33.996 32.673 1.323 1
1 1278 . 7 1 1 A 114 114 VAL N N 114 120.138 122.439 -2.301 1
1 1279 . 7 1 1 A 115 115 ASP H H 115 8.313 9.022 -0.709 1
1 1280 . 7 1 1 A 115 115 ASP HA H 115 4.587 4.907 -0.320 1
1 1283 . 7 1 1 A 115 115 ASP C C 115 176.361 176.696 -0.335 1
1 1284 . 7 1 1 A 115 115 ASP CA C 115 54.760 53.583 1.177 1
1 1285 . 7 1 1 A 115 115 ASP CB C 115 41.888 40.811 1.077 1
1 1286 . 7 1 1 A 115 115 ASP N N 115 123.840 128.829 -4.989 1
1 1287 . 7 1 1 A 116 116 LEU H H 116 8.202 7.996 0.206 1
1 1288 . 7 1 1 A 116 116 LEU HA H 116 4.168 4.003 0.165 1
1 1298 . 7 1 1 A 116 116 LEU C C 116 177.811 176.534 1.277 1
1 1299 . 7 1 1 A 116 116 LEU CA C 116 56.696 57.874 -1.178 1
1 1300 . 7 1 1 A 116 116 LEU CB C 116 43.084 41.724 1.360 1
1 1304 . 7 1 1 A 116 116 LEU N N 116 123.362 119.286 4.076 1
1 1305 . 7 1 1 A 117 117 GLU H H 117 8.311 7.890 0.421 1
1 1306 . 7 1 1 A 117 117 GLU HA H 117 4.141 4.562 -0.421 1
1 1311 . 7 1 1 A 117 117 GLU C C 117 176.687 175.647 1.040 1
1 1312 . 7 1 1 A 117 117 GLU CA C 117 57.937 55.087 2.850 1
1 1313 . 7 1 1 A 117 117 GLU CB C 117 30.685 29.896 0.789 1
1 1315 . 7 1 1 A 117 117 GLU N N 117 119.881 119.495 0.386 1
1 1316 . 7 1 1 A 118 118 ARG H H 118 7.930 8.765 -0.835 1
1 1317 . 7 1 1 A 118 118 ARG HA H 118 4.223 4.504 -0.281 1
1 1324 . 7 1 1 A 118 118 ARG C C 118 176.125 177.118 -0.993 1
1 1325 . 7 1 1 A 118 118 ARG CA C 118 57.133 55.834 1.299 1
1 1326 . 7 1 1 A 118 118 ARG CB C 118 31.445 31.108 0.337 1
1 1329 . 7 1 1 A 118 118 ARG N N 118 120.580 126.603 -6.023 1
1 1330 . 7 1 1 A 119 119 ILE H H 119 7.926 7.262 0.664 1
1 1331 . 7 1 1 A 119 119 ILE HA H 119 4.041 4.118 -0.077 1
1 1341 . 7 1 1 A 119 119 ILE C C 119 176.166 176.074 0.092 1
1 1342 . 7 1 1 A 119 119 ILE CA C 119 62.131 62.804 -0.673 1
1 1343 . 7 1 1 A 119 119 ILE CB C 119 39.327 38.906 0.421 1
1 1347 . 7 1 1 A 119 119 ILE N N 119 121.721 119.055 2.666 1
1 1348 . 7 1 1 A 120 120 ILE H H 120 8.152 7.781 0.371 1
1 1349 . 7 1 1 A 120 120 ILE HA H 120 4.038 4.294 -0.256 1
1 1359 . 7 1 1 A 120 120 ILE C C 120 175.922 174.812 1.110 1
1 1360 . 7 1 1 A 120 120 ILE CA C 120 61.812 60.957 0.855 1
1 1361 . 7 1 1 A 120 120 ILE CB C 120 39.091 35.755 3.336 1
1 1365 . 7 1 1 A 120 120 ILE N N 120 125.274 121.379 3.895 1
1 1366 . 7 1 1 A 121 121 ARG H H 121 8.266 8.530 -0.264 1
1 1367 . 7 1 1 A 121 121 ARG HA H 121 4.293 4.647 -0.354 1
1 1374 . 7 1 1 A 121 121 ARG CA C 121 56.489 54.774 1.715 1
1 1375 . 7 1 1 A 121 121 ARG CB C 121 31.785 30.187 1.598 1
1 1378 . 7 1 1 A 121 121 ARG N N 121 125.412 126.691 -1.279 1
1 1379 . 7 1 1 A 122 122 HIS HA H 122 5.066 5.124 -0.058 1
1 1383 . 7 1 1 A 122 122 HIS C C 122 175.210 174.034 1.176 1
1 1384 . 7 1 1 A 122 122 HIS CA C 122 56.554 54.657 1.897 1
1 1385 . 7 1 1 A 122 122 HIS CB C 122 32.905 35.068 -2.163 1
1 1387 . 7 1 1 A 123 123 GLU H H 123 8.936 8.807 0.129 1
1 1388 . 7 1 1 A 123 123 GLU N N 123 121.008 117.924 3.084 1
1 1389 . 7 1 1 A 124 124 GLY HA2 H 124 3.984 3.868 0.116 1
1 1390 . 7 1 1 A 124 124 GLY HA3 H 124 3.913 3.870 0.043 1
1 1391 . 7 1 1 A 124 124 GLY C C 124 173.408 174.307 -0.899 1
1 1392 . 7 1 1 A 124 124 GLY CA C 124 46.124 47.305 -1.181 1
1 10 . 8 1 1 A 2 2 GLY H H 2 8.402 8.921 -0.519 1
1 11 . 8 1 1 A 2 2 GLY HA2 H 2 3.903 3.802 0.101 1
1 12 . 8 1 1 A 2 2 GLY HA3 H 2 3.903 3.824 0.079 1
1 13 . 8 1 1 A 2 2 GLY C C 2 172.919 174.525 -1.606 1
1 14 . 8 1 1 A 2 2 GLY CA C 2 45.814 46.684 -0.870 1
1 15 . 8 1 1 A 2 2 GLY N N 2 110.769 111.768 -0.999 1
1 16 . 8 1 1 A 3 3 HIS H H 3 8.198 8.595 -0.397 1
1 17 . 8 1 1 A 3 3 HIS N N 3 120.514 123.972 -3.458 1
1 18 . 8 1 1 A 4 4 MET HA H 4 4.688 4.277 0.411 1
1 26 . 8 1 1 A 4 4 MET CA C 4 56.462 55.945 0.517 1
1 27 . 8 1 1 A 4 4 MET CB C 4 35.293 33.322 1.971 1
1 30 . 8 1 1 A 5 5 PHE H H 5 8.690 8.905 -0.215 1
1 31 . 8 1 1 A 5 5 PHE HA H 5 5.254 5.259 -0.005 1
1 39 . 8 1 1 A 5 5 PHE C C 5 173.490 174.289 -0.799 1
1 40 . 8 1 1 A 5 5 PHE CA C 5 58.548 56.938 1.610 1
1 41 . 8 1 1 A 5 5 PHE CB C 5 43.312 42.559 0.753 1
1 47 . 8 1 1 A 5 5 PHE N N 5 123.462 127.294 -3.832 1
1 48 . 8 1 1 A 6 6 GLU H H 6 7.963 8.489 -0.526 1
1 49 . 8 1 1 A 6 6 GLU HA H 6 4.182 4.640 -0.458 1
1 54 . 8 1 1 A 6 6 GLU CA C 6 53.572 53.555 0.017 1
1 55 . 8 1 1 A 6 6 GLU CB C 6 31.259 32.844 -1.585 1
1 57 . 8 1 1 A 6 6 GLU N N 6 127.826 123.827 3.999 1
1 58 . 8 1 1 A 7 7 PRO HA H 7 3.783 4.380 -0.597 1
1 65 . 8 1 1 A 7 7 PRO C C 7 177.433 177.314 0.119 1
1 66 . 8 1 1 A 7 7 PRO CA C 7 66.503 63.514 2.989 1
1 67 . 8 1 1 A 7 7 PRO CB C 7 31.785 31.208 0.577 1
1 70 . 8 1 1 A 8 8 GLY H H 8 7.537 8.620 -1.083 1
1 71 . 8 1 1 A 8 8 GLY HA2 H 8 3.896 3.300 0.596 1
1 72 . 8 1 1 A 8 8 GLY HA3 H 8 2.085 3.758 -1.673 1
1 73 . 8 1 1 A 8 8 GLY C C 8 174.730 173.210 1.520 1
1 74 . 8 1 1 A 8 8 GLY CA C 8 46.895 44.842 2.053 1
1 75 . 8 1 1 A 8 8 GLY N N 8 111.178 112.651 -1.473 1
1 76 . 8 1 1 A 9 9 HIS H H 9 9.112 7.506 1.606 1
1 77 . 8 1 1 A 9 9 HIS HA H 9 5.699 5.325 0.374 1
1 81 . 8 1 1 A 9 9 HIS C C 9 170.886 172.736 -1.850 1
1 82 . 8 1 1 A 9 9 HIS CA C 9 55.252 55.998 -0.746 1
1 83 . 8 1 1 A 9 9 HIS CB C 9 32.029 33.216 -1.187 1
1 85 . 8 1 1 A 9 9 HIS N N 9 122.719 119.455 3.264 1
1 86 . 8 1 1 A 10 10 LEU H H 10 9.637 8.854 0.783 1
1 87 . 8 1 1 A 10 10 LEU HA H 10 5.198 5.253 -0.055 1
1 97 . 8 1 1 A 10 10 LEU C C 10 173.565 173.526 0.039 1
1 98 . 8 1 1 A 10 10 LEU CA C 10 54.377 53.132 1.245 1
1 99 . 8 1 1 A 10 10 LEU CB C 10 46.916 46.398 0.518 1
1 103 . 8 1 1 A 10 10 LEU N N 10 130.516 127.612 2.904 1
1 104 . 8 1 1 A 11 11 HIS H H 11 9.237 9.080 0.157 1
1 105 . 8 1 1 A 11 11 HIS HA H 11 5.478 5.058 0.420 1
1 109 . 8 1 1 A 11 11 HIS C C 11 173.559 173.664 -0.105 1
1 110 . 8 1 1 A 11 11 HIS CA C 11 53.302 54.225 -0.923 1
1 111 . 8 1 1 A 11 11 HIS CB C 11 34.638 33.105 1.533 1
1 113 . 8 1 1 A 11 11 HIS N N 11 128.715 125.819 2.896 1
1 114 . 8 1 1 A 12 12 LEU H H 12 9.370 8.975 0.395 1
1 115 . 8 1 1 A 12 12 LEU HA H 12 4.863 4.919 -0.056 1
1 125 . 8 1 1 A 12 12 LEU CA C 12 54.243 53.981 0.262 1
1 126 . 8 1 1 A 12 12 LEU CB C 12 45.047 43.909 1.138 1
1 130 . 8 1 1 A 12 12 LEU N N 12 127.423 127.445 -0.022 1
1 131 . 8 1 1 A 13 13 VAL HA H 13 4.847 5.457 -0.610 1
1 139 . 8 1 1 A 13 13 VAL CA C 13 60.665 58.812 1.853 1
1 140 . 8 1 1 A 13 13 VAL CB C 13 35.978 35.695 0.283 1
1 143 . 8 1 1 A 14 14 SER H H 14 8.220 8.935 -0.715 1
1 144 . 8 1 1 A 14 14 SER HA H 14 4.563 5.001 -0.438 1
1 147 . 8 1 1 A 14 14 SER CA C 14 58.588 56.281 2.307 1
1 148 . 8 1 1 A 14 14 SER CB C 14 65.442 64.310 1.132 1
1 149 . 8 1 1 A 14 14 SER N N 14 118.092 117.488 0.604 1
1 150 . 8 1 1 A 15 15 LEU H H 15 8.965 8.683 0.282 1
1 151 . 8 1 1 A 15 15 LEU HA H 15 4.725 4.585 0.140 1
1 161 . 8 1 1 A 15 15 LEU CA C 15 53.203 53.677 -0.474 1
1 162 . 8 1 1 A 15 15 LEU CB C 15 42.658 42.509 0.149 1
1 166 . 8 1 1 A 15 15 LEU N N 15 124.969 126.935 -1.966 1
1 167 . 8 1 1 A 16 16 PRO HA H 16 4.326 4.481 -0.155 1
1 174 . 8 1 1 A 16 16 PRO C C 16 177.551 176.755 0.796 1
1 175 . 8 1 1 A 16 16 PRO CA C 16 64.262 63.409 0.853 1
1 176 . 8 1 1 A 16 16 PRO CB C 16 32.855 32.105 0.750 1
1 179 . 8 1 1 A 17 17 GLY H H 17 8.597 8.146 0.451 1
1 180 . 8 1 1 A 17 17 GLY HA2 H 17 4.091 4.177 -0.086 1
1 181 . 8 1 1 A 17 17 GLY HA3 H 17 3.773 4.178 -0.405 1
1 182 . 8 1 1 A 17 17 GLY C C 17 173.908 173.245 0.663 1
1 183 . 8 1 1 A 17 17 GLY CA C 17 46.155 46.067 0.088 1
1 184 . 8 1 1 A 17 17 GLY N N 17 110.651 110.099 0.552 1
1 185 . 8 1 1 A 18 18 LEU H H 18 7.998 8.562 -0.564 1
1 186 . 8 1 1 A 18 18 LEU HA H 18 4.318 4.592 -0.274 1
1 192 . 8 1 1 A 18 18 LEU CA C 18 56.800 53.872 2.928 1
1 193 . 8 1 1 A 18 18 LEU CB C 18 43.502 43.419 0.083 1
1 195 . 8 1 1 A 18 18 LEU N N 18 122.006 124.358 -2.352 1
1 196 . 8 1 1 A 19 19 ASP HA H 19 4.330 5.053 -0.723 1
1 199 . 8 1 1 A 19 19 ASP CA C 19 56.800 53.570 3.230 1
1 200 . 8 1 1 A 19 19 ASP CB C 19 43.498 41.751 1.747 1
1 201 . 8 1 1 A 20 20 GLN HA H 20 4.248 4.451 -0.203 1
1 208 . 8 1 1 A 20 20 GLN CA C 20 56.991 54.828 2.163 1
1 209 . 8 1 1 A 20 20 GLN CB C 20 31.005 27.253 3.752 1
1 212 . 8 1 1 A 21 21 GLN H H 21 7.823 7.543 0.280 1
1 213 . 8 1 1 A 21 21 GLN HA H 21 4.478 4.533 -0.055 1
1 220 . 8 1 1 A 21 21 GLN C C 21 174.199 175.010 -0.811 1
1 221 . 8 1 1 A 21 21 GLN CA C 21 56.424 55.731 0.693 1
1 222 . 8 1 1 A 21 21 GLN CB C 21 33.930 30.035 3.895 1
1 224 . 8 1 1 A 21 21 GLN N N 21 118.190 123.282 -5.092 1
1 226 . 8 1 1 A 22 22 ASP H H 22 8.549 8.764 -0.215 1
1 227 . 8 1 1 A 22 22 ASP HA H 22 4.708 4.694 0.014 1
1 230 . 8 1 1 A 22 22 ASP C C 22 175.399 175.058 0.341 1
1 231 . 8 1 1 A 22 22 ASP CA C 22 54.415 53.634 0.781 1
1 232 . 8 1 1 A 22 22 ASP CB C 22 42.744 39.836 2.908 1
1 233 . 8 1 1 A 22 22 ASP N N 22 122.563 126.161 -3.598 1
1 234 . 8 1 1 A 23 23 ILE H H 23 8.681 8.443 0.238 1
1 235 . 8 1 1 A 23 23 ILE HA H 23 4.726 5.117 -0.391 1
1 245 . 8 1 1 A 23 23 ILE C C 23 174.896 175.351 -0.455 1
1 246 . 8 1 1 A 23 23 ILE CA C 23 60.384 59.585 0.799 1
1 247 . 8 1 1 A 23 23 ILE CB C 23 42.843 40.154 2.689 1
1 251 . 8 1 1 A 23 23 ILE N N 23 121.642 121.157 0.485 1
1 252 . 8 1 1 A 24 24 ASN H H 24 8.224 9.139 -0.915 1
1 253 . 8 1 1 A 24 24 ASN HA H 24 5.252 6.106 -0.854 1
1 258 . 8 1 1 A 24 24 ASN C C 24 174.672 173.819 0.853 1
1 259 . 8 1 1 A 24 24 ASN CA C 24 54.262 52.482 1.780 1
1 260 . 8 1 1 A 24 24 ASN CB C 24 40.495 41.377 -0.882 1
1 261 . 8 1 1 A 24 24 ASN N N 24 124.418 122.258 2.160 1
1 263 . 8 1 1 A 25 25 ILE H H 25 9.453 9.076 0.377 1
1 264 . 8 1 1 A 25 25 ILE HA H 25 4.896 5.239 -0.343 1
1 274 . 8 1 1 A 25 25 ILE C C 25 173.645 174.744 -1.099 1
1 275 . 8 1 1 A 25 25 ILE CA C 25 61.580 60.056 1.524 1
1 276 . 8 1 1 A 25 25 ILE CB C 25 44.146 42.558 1.588 1
1 280 . 8 1 1 A 25 25 ILE N N 25 122.056 124.064 -2.008 1
1 281 . 8 1 1 A 26 26 HIS H H 26 9.716 9.020 0.696 1
1 282 . 8 1 1 A 26 26 HIS HA H 26 5.404 5.480 -0.076 1
1 286 . 8 1 1 A 26 26 HIS C C 26 175.078 174.884 0.194 1
1 287 . 8 1 1 A 26 26 HIS CA C 26 55.881 54.475 1.406 1
1 288 . 8 1 1 A 26 26 HIS CB C 26 32.829 32.884 -0.055 1
1 290 . 8 1 1 A 26 26 HIS N N 26 126.720 124.595 2.125 1
1 291 . 8 1 1 A 27 27 ILE H H 27 9.935 8.927 1.008 1
1 292 . 8 1 1 A 27 27 ILE HA H 27 5.096 4.786 0.310 1
1 302 . 8 1 1 A 27 27 ILE C C 27 174.860 174.931 -0.071 1
1 303 . 8 1 1 A 27 27 ILE CA C 27 61.915 60.899 1.016 1
1 304 . 8 1 1 A 27 27 ILE CB C 27 40.667 40.478 0.189 1
1 308 . 8 1 1 A 27 27 ILE N N 27 123.352 121.596 1.756 1
1 309 . 8 1 1 A 28 28 ARG H H 28 9.315 9.191 0.124 1
1 310 . 8 1 1 A 28 28 ARG HA H 28 5.621 5.080 0.541 1
1 317 . 8 1 1 A 28 28 ARG C C 28 175.573 175.288 0.285 1
1 318 . 8 1 1 A 28 28 ARG CA C 28 54.904 55.178 -0.274 1
1 319 . 8 1 1 A 28 28 ARG CB C 28 33.782 32.969 0.813 1
1 322 . 8 1 1 A 28 28 ARG N N 28 127.731 127.517 0.214 1
1 323 . 8 1 1 A 29 29 TYR H H 29 7.656 8.336 -0.680 1
1 324 . 8 1 1 A 29 29 TYR HA H 29 5.831 5.426 0.405 1
1 331 . 8 1 1 A 29 29 TYR C C 29 173.770 174.658 -0.888 1
1 332 . 8 1 1 A 29 29 TYR CA C 29 55.377 55.650 -0.273 1
1 333 . 8 1 1 A 29 29 TYR CB C 29 43.035 41.411 1.624 1
1 338 . 8 1 1 A 29 29 TYR N N 29 117.229 119.402 -2.173 1
1 339 . 8 1 1 A 30 30 GLU H H 30 8.323 8.517 -0.194 1
1 340 . 8 1 1 A 30 30 GLU HA H 30 4.381 4.751 -0.370 1
1 345 . 8 1 1 A 30 30 GLU C C 30 173.976 175.181 -1.205 1
1 346 . 8 1 1 A 30 30 GLU CA C 30 55.235 55.221 0.014 1
1 347 . 8 1 1 A 30 30 GLU CB C 30 34.494 31.794 2.700 1
1 349 . 8 1 1 A 30 30 GLU N N 30 117.003 124.707 -7.704 1
1 350 . 8 1 1 A 31 31 VAL H H 31 8.957 8.686 0.271 1
1 351 . 8 1 1 A 31 31 VAL HA H 31 4.262 4.396 -0.134 1
1 359 . 8 1 1 A 31 31 VAL C C 31 175.045 174.925 0.120 1
1 360 . 8 1 1 A 31 31 VAL CA C 31 63.418 61.899 1.519 1
1 361 . 8 1 1 A 31 31 VAL CB C 31 32.211 31.782 0.429 1
1 364 . 8 1 1 A 31 31 VAL N N 31 125.299 125.781 -0.482 1
1 365 . 8 1 1 A 32 32 ARG H H 32 8.550 8.420 0.130 1
1 366 . 8 1 1 A 32 32 ARG HA H 32 4.408 4.973 -0.565 1
1 373 . 8 1 1 A 32 32 ARG C C 32 173.222 174.688 -1.466 1
1 374 . 8 1 1 A 32 32 ARG CA C 32 55.048 53.585 1.463 1
1 375 . 8 1 1 A 32 32 ARG CB C 32 34.646 33.562 1.084 1
1 378 . 8 1 1 A 32 32 ARG N N 32 128.345 128.795 -0.450 1
1 379 . 8 1 1 A 33 33 GLN H H 33 8.148 8.597 -0.449 1
1 380 . 8 1 1 A 33 33 GLN HA H 33 4.697 4.878 -0.181 1
1 387 . 8 1 1 A 33 33 GLN C C 33 175.419 174.779 0.640 1
1 388 . 8 1 1 A 33 33 GLN CA C 33 55.943 54.696 1.247 1
1 389 . 8 1 1 A 33 33 GLN CB C 33 31.679 30.240 1.439 1
1 391 . 8 1 1 A 33 33 GLN N N 33 116.088 123.832 -7.744 1
1 393 . 8 1 1 A 34 34 ASN H H 34 8.323 8.715 -0.392 1
1 394 . 8 1 1 A 34 34 ASN HA H 34 4.825 5.262 -0.437 1
1 399 . 8 1 1 A 34 34 ASN CA C 34 53.468 51.983 1.485 1
1 400 . 8 1 1 A 34 34 ASN CB C 34 41.559 39.938 1.621 1
1 401 . 8 1 1 A 34 34 ASN N N 34 121.088 124.408 -3.320 1
1 403 . 8 1 1 A 35 35 ALA HA H 35 4.099 4.001 0.098 1
1 407 . 8 1 1 A 35 35 ALA C C 35 178.472 179.312 -0.840 1
1 408 . 8 1 1 A 35 35 ALA CA C 35 55.591 54.642 0.949 1
1 409 . 8 1 1 A 35 35 ALA CB C 35 19.600 18.418 1.182 1
1 410 . 8 1 1 A 36 36 GLU H H 36 8.362 8.158 0.204 1
1 411 . 8 1 1 A 36 36 GLU HA H 36 4.263 4.023 0.240 1
1 416 . 8 1 1 A 36 36 GLU C C 36 177.727 178.233 -0.506 1
1 417 . 8 1 1 A 36 36 GLU CA C 36 59.010 59.114 -0.104 1
1 418 . 8 1 1 A 36 36 GLU CB C 36 31.059 29.980 1.079 1
1 420 . 8 1 1 A 36 36 GLU N N 36 116.669 119.737 -3.068 1
1 421 . 8 1 1 A 37 37 SER H H 37 8.338 8.031 0.307 1
1 422 . 8 1 1 A 37 37 SER HA H 37 4.515 4.589 -0.074 1
1 425 . 8 1 1 A 37 37 SER C C 37 175.134 174.330 0.804 1
1 426 . 8 1 1 A 37 37 SER CA C 37 59.568 59.081 0.487 1
1 427 . 8 1 1 A 37 37 SER CB C 37 65.114 65.420 -0.306 1
1 428 . 8 1 1 A 37 37 SER N N 37 111.971 113.107 -1.136 1
1 429 . 8 1 1 A 38 38 GLY H H 38 8.098 7.656 0.442 1
1 430 . 8 1 1 A 38 38 GLY HA2 H 38 4.294 4.085 0.209 1
1 431 . 8 1 1 A 38 38 GLY HA3 H 38 3.975 4.090 -0.115 1
1 432 . 8 1 1 A 38 38 GLY C C 38 173.759 172.858 0.901 1
1 433 . 8 1 1 A 38 38 GLY CA C 38 45.904 44.016 1.888 1
1 434 . 8 1 1 A 38 38 GLY N N 38 111.508 107.668 3.840 1
1 435 . 8 1 1 A 39 39 ALA H H 39 8.450 8.098 0.352 1
1 436 . 8 1 1 A 39 39 ALA HA H 39 4.902 4.569 0.333 1
1 440 . 8 1 1 A 39 39 ALA C C 39 177.193 177.190 0.003 1
1 441 . 8 1 1 A 39 39 ALA CA C 39 52.880 52.245 0.635 1
1 442 . 8 1 1 A 39 39 ALA CB C 39 20.714 19.115 1.599 1
1 443 . 8 1 1 A 39 39 ALA N N 39 124.210 124.128 0.082 1
1 444 . 8 1 1 A 40 40 TYR H H 40 8.854 8.569 0.285 1
1 445 . 8 1 1 A 40 40 TYR HA H 40 4.796 5.445 -0.649 1
1 452 . 8 1 1 A 40 40 TYR C C 40 171.595 172.802 -1.207 1
1 453 . 8 1 1 A 40 40 TYR CA C 40 56.552 55.730 0.822 1
1 454 . 8 1 1 A 40 40 TYR CB C 40 41.319 41.794 -0.475 1
1 459 . 8 1 1 A 40 40 TYR N N 40 118.580 117.561 1.019 1
1 460 . 8 1 1 A 41 41 VAL H H 41 9.275 8.513 0.762 1
1 461 . 8 1 1 A 41 41 VAL HA H 41 4.430 4.346 0.084 1
1 469 . 8 1 1 A 41 41 VAL C C 41 174.098 174.305 -0.207 1
1 470 . 8 1 1 A 41 41 VAL CA C 41 61.566 60.663 0.903 1
1 471 . 8 1 1 A 41 41 VAL CB C 41 33.852 34.277 -0.425 1
1 474 . 8 1 1 A 41 41 VAL N N 41 118.445 119.638 -1.193 1
1 475 . 8 1 1 A 42 42 HIS H H 42 8.789 8.715 0.074 1
1 476 . 8 1 1 A 42 42 HIS HA H 42 4.814 4.778 0.036 1
1 480 . 8 1 1 A 42 42 HIS C C 42 172.353 172.998 -0.645 1
1 481 . 8 1 1 A 42 42 HIS CA C 42 56.537 55.139 1.398 1
1 482 . 8 1 1 A 42 42 HIS CB C 42 31.587 30.741 0.846 1
1 484 . 8 1 1 A 42 42 HIS N N 42 125.741 126.543 -0.802 1
1 485 . 8 1 1 A 43 43 PHE H H 43 8.604 8.535 0.069 1
1 486 . 8 1 1 A 43 43 PHE HA H 43 4.933 5.056 -0.123 1
1 494 . 8 1 1 A 43 43 PHE C C 43 174.119 173.771 0.348 1
1 495 . 8 1 1 A 43 43 PHE CA C 43 56.591 57.199 -0.608 1
1 496 . 8 1 1 A 43 43 PHE CB C 43 41.053 39.795 1.258 1
1 502 . 8 1 1 A 43 43 PHE N N 43 125.631 126.447 -0.816 1
1 503 . 8 1 1 A 44 44 ASP H H 44 9.322 9.032 0.290 1
1 504 . 8 1 1 A 44 44 ASP HA H 44 5.187 5.250 -0.063 1
1 507 . 8 1 1 A 44 44 ASP C C 44 175.076 174.763 0.313 1
1 508 . 8 1 1 A 44 44 ASP CA C 44 55.145 52.536 2.609 1
1 509 . 8 1 1 A 44 44 ASP CB C 44 45.197 43.516 1.681 1
1 510 . 8 1 1 A 44 44 ASP N N 44 121.184 124.256 -3.072 1
1 511 . 8 1 1 A 45 45 MET H H 45 9.110 9.062 0.048 1
1 512 . 8 1 1 A 45 45 MET HA H 45 5.765 5.934 -0.169 1
1 520 . 8 1 1 A 45 45 MET C C 45 173.254 174.533 -1.279 1
1 521 . 8 1 1 A 45 45 MET CA C 45 54.810 53.963 0.847 1
1 522 . 8 1 1 A 45 45 MET CB C 45 38.632 36.796 1.836 1
1 525 . 8 1 1 A 45 45 MET N N 45 121.976 124.948 -2.972 1
1 526 . 8 1 1 A 46 46 ASP H H 46 8.763 8.991 -0.228 1
1 527 . 8 1 1 A 46 46 ASP HA H 46 4.373 4.663 -0.290 1
1 530 . 8 1 1 A 46 46 ASP C C 46 173.396 174.194 -0.798 1
1 531 . 8 1 1 A 46 46 ASP CA C 46 53.810 52.556 1.254 1
1 532 . 8 1 1 A 46 46 ASP CB C 46 44.722 43.652 1.070 1
1 533 . 8 1 1 A 46 46 ASP N N 46 121.797 120.300 1.497 1
1 534 . 8 1 1 A 47 47 GLY H H 47 7.154 7.435 -0.281 1
1 535 . 8 1 1 A 47 47 GLY HA2 H 47 5.075 4.145 0.930 1
1 536 . 8 1 1 A 47 47 GLY HA3 H 47 3.927 4.170 -0.243 1
1 537 . 8 1 1 A 47 47 GLY C C 47 172.328 171.853 0.475 1
1 538 . 8 1 1 A 47 47 GLY CA C 47 45.820 45.798 0.022 1
1 539 . 8 1 1 A 47 47 GLY N N 47 105.470 105.333 0.137 1
1 540 . 8 1 1 A 48 48 GLU H H 48 9.100 8.663 0.437 1
1 541 . 8 1 1 A 48 48 GLU HA H 48 5.257 5.774 -0.517 1
1 546 . 8 1 1 A 48 48 GLU C C 48 175.019 174.618 0.401 1
1 547 . 8 1 1 A 48 48 GLU CA C 48 56.247 54.922 1.325 1
1 548 . 8 1 1 A 48 48 GLU CB C 48 35.076 31.997 3.079 1
1 550 . 8 1 1 A 48 48 GLU N N 48 119.799 117.124 2.675 1
1 551 . 8 1 1 A 49 49 ILE H H 49 7.945 8.578 -0.633 1
1 552 . 8 1 1 A 49 49 ILE HA H 49 4.540 4.828 -0.288 1
1 562 . 8 1 1 A 49 49 ILE C C 49 176.382 175.689 0.693 1
1 563 . 8 1 1 A 49 49 ILE CA C 49 61.321 60.018 1.303 1
1 564 . 8 1 1 A 49 49 ILE CB C 49 41.847 39.093 2.754 1
1 568 . 8 1 1 A 49 49 ILE N N 49 120.718 126.440 -5.722 1
1 569 . 8 1 1 A 50 50 ASP H H 50 10.048 9.446 0.602 1
1 570 . 8 1 1 A 50 50 ASP HA H 50 4.522 4.380 0.142 1
1 573 . 8 1 1 A 50 50 ASP C C 50 176.193 176.243 -0.050 1
1 574 . 8 1 1 A 50 50 ASP CA C 50 56.872 55.440 1.432 1
1 575 . 8 1 1 A 50 50 ASP CB C 50 40.754 39.248 1.506 1
1 576 . 8 1 1 A 50 50 ASP N N 50 130.256 128.962 1.294 1
1 577 . 8 1 1 A 51 51 GLY H H 51 9.048 8.385 0.663 1
1 578 . 8 1 1 A 51 51 GLY HA2 H 51 4.126 4.008 0.118 1
1 579 . 8 1 1 A 51 51 GLY HA3 H 51 3.660 4.017 -0.357 1
1 580 . 8 1 1 A 51 51 GLY C C 51 173.935 174.324 -0.389 1
1 581 . 8 1 1 A 51 51 GLY CA C 51 46.194 45.165 1.029 1
1 582 . 8 1 1 A 51 51 GLY N N 51 103.446 105.239 -1.793 1
1 583 . 8 1 1 A 52 52 LYS H H 52 7.905 7.632 0.273 1
1 584 . 8 1 1 A 52 52 LYS HA H 52 5.014 4.526 0.488 1
1 593 . 8 1 1 A 52 52 LYS CA C 52 53.809 53.035 0.774 1
1 594 . 8 1 1 A 52 52 LYS CB C 52 33.788 32.902 0.886 1
1 598 . 8 1 1 A 52 52 LYS N N 52 122.692 121.193 1.499 1
1 599 . 8 1 1 A 53 53 PRO HA H 53 5.523 5.510 0.013 1
1 606 . 8 1 1 A 53 53 PRO C C 53 176.300 177.142 -0.842 1
1 607 . 8 1 1 A 53 53 PRO CA C 53 62.896 62.414 0.482 1
1 608 . 8 1 1 A 53 53 PRO CB C 53 33.920 32.661 1.259 1
1 611 . 8 1 1 A 54 54 PHE H H 54 8.643 8.848 -0.205 1
1 612 . 8 1 1 A 54 54 PHE HA H 54 4.907 5.282 -0.375 1
1 620 . 8 1 1 A 54 54 PHE C C 54 172.840 172.557 0.283 1
1 621 . 8 1 1 A 54 54 PHE CA C 54 57.173 56.186 0.987 1
1 622 . 8 1 1 A 54 54 PHE CB C 54 43.620 42.393 1.227 1
1 628 . 8 1 1 A 54 54 PHE N N 54 117.436 119.141 -1.705 1
1 629 . 8 1 1 A 55 55 SER H H 55 8.009 8.828 -0.819 1
1 630 . 8 1 1 A 55 55 SER HA H 55 4.822 5.086 -0.264 1
1 633 . 8 1 1 A 55 55 SER C C 55 172.856 172.221 0.635 1
1 634 . 8 1 1 A 55 55 SER CA C 55 58.238 56.619 1.619 1
1 635 . 8 1 1 A 55 55 SER CB C 55 66.163 65.240 0.923 1
1 636 . 8 1 1 A 55 55 SER N N 55 113.907 115.002 -1.095 1
1 637 . 8 1 1 A 56 56 ASP H H 56 9.593 8.977 0.616 1
1 638 . 8 1 1 A 56 56 ASP HA H 56 4.985 5.672 -0.687 1
1 641 . 8 1 1 A 56 56 ASP C C 56 175.049 174.444 0.605 1
1 642 . 8 1 1 A 56 56 ASP CA C 56 54.043 53.057 0.986 1
1 643 . 8 1 1 A 56 56 ASP CB C 56 46.425 44.934 1.491 1
1 644 . 8 1 1 A 56 56 ASP N N 56 125.145 127.479 -2.334 1
1 645 . 8 1 1 A 57 57 SER H H 57 10.207 8.804 1.403 1
1 646 . 8 1 1 A 57 57 SER HA H 57 5.383 5.445 -0.062 1
1 649 . 8 1 1 A 57 57 SER C C 57 172.452 173.707 -1.255 1
1 650 . 8 1 1 A 57 57 SER CA C 57 59.008 56.998 2.010 1
1 651 . 8 1 1 A 57 57 SER CB C 57 67.802 66.291 1.511 1
1 652 . 8 1 1 A 57 57 SER N N 57 115.172 117.107 -1.935 1
1 653 . 8 1 1 A 58 58 PHE H H 58 8.623 8.734 -0.111 1
1 654 . 8 1 1 A 58 58 PHE HA H 58 4.904 5.730 -0.826 1
1 662 . 8 1 1 A 58 58 PHE C C 58 172.447 173.064 -0.617 1
1 663 . 8 1 1 A 58 58 PHE CA C 58 57.781 55.474 2.307 1
1 664 . 8 1 1 A 58 58 PHE CB C 58 40.736 42.845 -2.109 1
1 670 . 8 1 1 A 58 58 PHE N N 58 115.065 117.989 -2.924 1
1 671 . 8 1 1 A 59 59 GLU H H 59 8.721 9.012 -0.291 1
1 672 . 8 1 1 A 59 59 GLU HA H 59 5.595 5.674 -0.079 1
1 677 . 8 1 1 A 59 59 GLU C C 59 175.836 175.851 -0.015 1
1 678 . 8 1 1 A 59 59 GLU CA C 59 55.290 55.558 -0.268 1
1 679 . 8 1 1 A 59 59 GLU CB C 59 34.345 32.529 1.816 1
1 681 . 8 1 1 A 59 59 GLU N N 59 118.122 120.283 -2.161 1
1 682 . 8 1 1 A 60 60 LEU H H 60 9.016 8.767 0.249 1
1 683 . 8 1 1 A 60 60 LEU HA H 60 5.221 5.043 0.178 1
1 693 . 8 1 1 A 60 60 LEU CA C 60 52.275 51.140 1.135 1
1 694 . 8 1 1 A 60 60 LEU CB C 60 46.774 45.910 0.864 1
1 698 . 8 1 1 A 60 60 LEU N N 60 121.299 125.209 -3.910 1
1 699 . 8 1 1 A 61 61 PRO HA H 61 4.614 4.690 -0.076 1
1 706 . 8 1 1 A 61 61 PRO C C 61 176.316 177.740 -1.424 1
1 707 . 8 1 1 A 61 61 PRO CA C 61 62.719 62.525 0.194 1
1 708 . 8 1 1 A 61 61 PRO CB C 61 33.758 32.773 0.985 1
1 711 . 8 1 1 A 62 62 ARG H H 62 8.017 8.928 -0.911 1
1 712 . 8 1 1 A 62 62 ARG HA H 62 3.738 3.770 -0.032 1
1 719 . 8 1 1 A 62 62 ARG C C 62 176.976 177.415 -0.439 1
1 720 . 8 1 1 A 62 62 ARG CA C 62 60.653 59.387 1.266 1
1 721 . 8 1 1 A 62 62 ARG CB C 62 31.549 30.022 1.527 1
1 724 . 8 1 1 A 62 62 ARG N N 62 118.159 121.274 -3.115 1
1 725 . 8 1 1 A 63 63 ASP H H 63 8.665 7.989 0.676 1
1 726 . 8 1 1 A 63 63 ASP HA H 63 4.484 4.447 0.037 1
1 729 . 8 1 1 A 63 63 ASP C C 63 177.483 176.859 0.624 1
1 730 . 8 1 1 A 63 63 ASP CA C 63 57.335 56.388 0.947 1
1 731 . 8 1 1 A 63 63 ASP CB C 63 41.410 41.096 0.314 1
1 732 . 8 1 1 A 63 63 ASP N N 63 113.726 119.967 -6.241 1
1 733 . 8 1 1 A 64 64 THR H H 64 7.553 7.603 -0.050 1
1 734 . 8 1 1 A 64 64 THR HA H 64 4.562 4.700 -0.138 1
1 739 . 8 1 1 A 64 64 THR C C 64 175.654 175.262 0.392 1
1 740 . 8 1 1 A 64 64 THR CA C 64 61.499 60.797 0.702 1
1 741 . 8 1 1 A 64 64 THR CB C 64 69.606 69.360 0.246 1
1 743 . 8 1 1 A 64 64 THR N N 64 107.855 106.418 1.437 1
1 744 . 8 1 1 A 65 65 ALA H H 65 7.406 7.551 -0.145 1
1 745 . 8 1 1 A 65 65 ALA HA H 65 4.012 4.207 -0.195 1
1 749 . 8 1 1 A 65 65 ALA C C 65 176.820 179.362 -2.542 1
1 750 . 8 1 1 A 65 65 ALA CA C 65 55.939 54.806 1.133 1
1 751 . 8 1 1 A 65 65 ALA CB C 65 19.454 18.096 1.358 1
1 752 . 8 1 1 A 65 65 ALA N N 65 123.777 125.646 -1.869 1
1 753 . 8 1 1 A 66 66 PHE H H 66 7.583 7.361 0.222 1
1 754 . 8 1 1 A 66 66 PHE HA H 66 4.381 4.705 -0.324 1
1 762 . 8 1 1 A 66 66 PHE C C 66 176.104 177.173 -1.069 1
1 763 . 8 1 1 A 66 66 PHE CA C 66 58.836 60.554 -1.718 1
1 764 . 8 1 1 A 66 66 PHE CB C 66 37.740 38.009 -0.269 1
1 770 . 8 1 1 A 66 66 PHE N N 66 110.346 115.742 -5.396 1
1 771 . 8 1 1 A 67 67 ASN H H 67 7.984 8.062 -0.078 1
1 772 . 8 1 1 A 67 67 ASN HA H 67 4.848 4.941 -0.093 1
1 777 . 8 1 1 A 67 67 ASN C C 67 175.700 176.108 -0.408 1
1 778 . 8 1 1 A 67 67 ASN CA C 67 53.469 53.090 0.379 1
1 779 . 8 1 1 A 67 67 ASN CB C 67 38.836 39.188 -0.352 1
1 780 . 8 1 1 A 67 67 ASN N N 67 120.591 118.366 2.225 1
1 782 . 8 1 1 A 68 68 PHE H H 68 7.218 8.135 -0.917 1
1 783 . 8 1 1 A 68 68 PHE HA H 68 4.054 4.069 -0.015 1
1 790 . 8 1 1 A 68 68 PHE C C 68 174.796 176.964 -2.168 1
1 791 . 8 1 1 A 68 68 PHE CA C 68 60.849 60.810 0.039 1
1 792 . 8 1 1 A 68 68 PHE CB C 68 40.263 37.479 2.784 1
1 797 . 8 1 1 A 68 68 PHE N N 68 115.915 118.952 -3.037 1
1 798 . 8 1 1 A 69 69 ALA H H 69 7.780 7.340 0.440 1
1 799 . 8 1 1 A 69 69 ALA HA H 69 3.484 3.829 -0.345 1
1 803 . 8 1 1 A 69 69 ALA C C 69 180.022 179.385 0.637 1
1 804 . 8 1 1 A 69 69 ALA CA C 69 56.283 54.557 1.726 1
1 805 . 8 1 1 A 69 69 ALA CB C 69 18.935 17.963 0.972 1
1 806 . 8 1 1 A 69 69 ALA N N 69 124.604 123.228 1.376 1
1 807 . 8 1 1 A 70 70 SER H H 70 7.852 8.010 -0.158 1
1 808 . 8 1 1 A 70 70 SER HA H 70 4.061 4.050 0.011 1
1 811 . 8 1 1 A 70 70 SER C C 70 177.054 176.045 1.009 1
1 812 . 8 1 1 A 70 70 SER CA C 70 62.085 61.426 0.659 1
1 813 . 8 1 1 A 70 70 SER CB C 70 62.976 62.397 0.579 1
1 814 . 8 1 1 A 70 70 SER N N 70 114.973 112.677 2.296 1
1 815 . 8 1 1 A 71 71 ASP H H 71 7.602 7.758 -0.156 1
1 816 . 8 1 1 A 71 71 ASP HA H 71 4.012 4.115 -0.103 1
1 819 . 8 1 1 A 71 71 ASP C C 71 177.086 177.678 -0.592 1
1 820 . 8 1 1 A 71 71 ASP CA C 71 58.501 56.791 1.710 1
1 821 . 8 1 1 A 71 71 ASP CB C 71 42.006 40.772 1.234 1
1 822 . 8 1 1 A 71 71 ASP N N 71 123.211 121.719 1.492 1
1 823 . 8 1 1 A 72 72 ALA H H 72 8.406 7.963 0.443 1
1 824 . 8 1 1 A 72 72 ALA HA H 72 3.671 4.078 -0.407 1
1 828 . 8 1 1 A 72 72 ALA C C 72 179.377 179.698 -0.321 1
1 829 . 8 1 1 A 72 72 ALA CA C 72 55.717 55.020 0.697 1
1 830 . 8 1 1 A 72 72 ALA CB C 72 18.658 18.685 -0.027 1
1 831 . 8 1 1 A 72 72 ALA N N 72 119.793 120.774 -0.981 1
1 832 . 8 1 1 A 73 73 THR H H 73 7.631 7.690 -0.059 1
1 833 . 8 1 1 A 73 73 THR HA H 73 3.562 3.839 -0.277 1
1 838 . 8 1 1 A 73 73 THR C C 73 175.072 176.186 -1.114 1
1 839 . 8 1 1 A 73 73 THR CA C 73 68.525 66.413 2.112 1
1 840 . 8 1 1 A 73 73 THR CB C 73 69.564 68.113 1.451 1
1 842 . 8 1 1 A 73 73 THR N N 73 114.702 114.256 0.446 1
1 843 . 8 1 1 A 74 74 ARG H H 74 7.629 7.652 -0.023 1
1 844 . 8 1 1 A 74 74 ARG HA H 74 3.795 4.005 -0.210 1
1 851 . 8 1 1 A 74 74 ARG C C 74 176.832 178.101 -1.269 1
1 852 . 8 1 1 A 74 74 ARG CA C 74 60.580 59.038 1.542 1
1 853 . 8 1 1 A 74 74 ARG CB C 74 30.409 29.680 0.729 1
1 856 . 8 1 1 A 74 74 ARG N N 74 122.528 120.761 1.767 1
1 857 . 8 1 1 A 75 75 VAL H H 75 8.008 8.337 -0.329 1
1 858 . 8 1 1 A 75 75 VAL HA H 75 3.439 3.849 -0.410 1
1 866 . 8 1 1 A 75 75 VAL C C 75 177.802 177.455 0.347 1
1 867 . 8 1 1 A 75 75 VAL CA C 75 67.492 64.776 2.716 1
1 868 . 8 1 1 A 75 75 VAL CB C 75 32.220 31.294 0.926 1
1 871 . 8 1 1 A 75 75 VAL N N 75 120.044 118.894 1.150 1
1 872 . 8 1 1 A 76 76 ALA H H 76 8.092 7.971 0.121 1
1 873 . 8 1 1 A 76 76 ALA HA H 76 3.537 3.913 -0.376 1
1 877 . 8 1 1 A 76 76 ALA C C 76 180.078 179.506 0.572 1
1 878 . 8 1 1 A 76 76 ALA CA C 76 56.194 55.536 0.658 1
1 879 . 8 1 1 A 76 76 ALA CB C 76 18.882 18.139 0.743 1
1 880 . 8 1 1 A 76 76 ALA N N 76 120.726 123.358 -2.632 1
1 881 . 8 1 1 A 77 77 GLN H H 77 8.432 7.461 0.971 1
1 882 . 8 1 1 A 77 77 GLN HA H 77 4.428 4.568 -0.140 1
1 885 . 8 1 1 A 77 77 GLN CA C 77 58.987 58.435 0.552 1
1 887 . 8 1 1 A 77 77 GLN N N 77 118.235 117.894 0.341 1
1 888 . 8 1 1 A 78 78 LYS H H 78 7.655 8.038 -0.383 1
1 889 . 8 1 1 A 78 78 LYS HA H 78 3.874 4.005 -0.131 1
1 898 . 8 1 1 A 78 78 LYS C C 78 177.044 178.266 -1.222 1
1 899 . 8 1 1 A 78 78 LYS CA C 78 59.393 58.688 0.705 1
1 900 . 8 1 1 A 78 78 LYS CB C 78 32.583 32.258 0.325 1
1 904 . 8 1 1 A 78 78 LYS N N 78 121.797 120.824 0.973 1
1 905 . 8 1 1 A 79 79 HIS H H 79 6.888 7.621 -0.733 1
1 906 . 8 1 1 A 79 79 HIS HA H 79 4.501 4.370 0.131 1
1 909 . 8 1 1 A 79 79 HIS C C 79 174.191 174.788 -0.597 1
1 910 . 8 1 1 A 79 79 HIS CA C 79 56.166 55.848 0.318 1
1 911 . 8 1 1 A 79 79 HIS CB C 79 30.993 29.517 1.476 1
1 912 . 8 1 1 A 79 79 HIS N N 79 115.368 115.681 -0.313 1
1 913 . 8 1 1 A 80 80 GLY H H 80 7.159 7.440 -0.281 1
1 914 . 8 1 1 A 80 80 GLY HA2 H 80 4.433 3.924 0.509 1
1 915 . 8 1 1 A 80 80 GLY HA3 H 80 3.541 3.930 -0.389 1
1 916 . 8 1 1 A 80 80 GLY C C 80 175.246 174.561 0.685 1
1 917 . 8 1 1 A 80 80 GLY CA C 80 45.823 45.371 0.452 1
1 918 . 8 1 1 A 80 80 GLY N N 80 104.319 105.215 -0.896 1
1 919 . 8 1 1 A 81 81 LEU H H 81 7.962 7.322 0.640 1
1 920 . 8 1 1 A 81 81 LEU HA H 81 4.012 4.252 -0.240 1
1 930 . 8 1 1 A 81 81 LEU CA C 81 56.383 55.844 0.539 1
1 931 . 8 1 1 A 81 81 LEU CB C 81 43.506 42.383 1.123 1
1 935 . 8 1 1 A 81 81 LEU N N 81 124.945 123.005 1.940 1
1 936 . 8 1 1 A 83 83 PRO HA H 83 4.248 4.667 -0.419 1
1 943 . 8 1 1 A 83 83 PRO CA C 83 65.606 62.646 2.960 1
1 944 . 8 1 1 A 83 83 PRO CB C 83 32.805 32.690 0.115 1
1 947 . 8 1 1 A 84 84 LYS HA H 84 4.132 3.935 0.197 1
1 956 . 8 1 1 A 84 84 LYS CA C 84 59.351 58.754 0.597 1
1 957 . 8 1 1 A 84 84 LYS CB C 84 33.109 32.330 0.779 1
1 961 . 8 1 1 A 85 85 PHE HA H 85 3.941 4.093 -0.152 1
1 964 . 8 1 1 A 85 85 PHE CA C 85 59.693 60.309 -0.616 1
1 965 . 8 1 1 A 85 85 PHE CB C 85 39.968 38.761 1.207 1
1 966 . 8 1 1 A 86 86 GLY HA2 H 86 3.721 3.904 -0.183 1
1 967 . 8 1 1 A 86 86 GLY HA3 H 86 3.659 3.925 -0.266 1
1 968 . 8 1 1 A 86 86 GLY CA C 86 44.471 47.215 -2.744 1
1 969 . 8 1 1 A 87 87 ALA HA H 87 4.274 4.455 -0.181 1
1 973 . 8 1 1 A 87 87 ALA CA C 87 53.390 51.309 2.081 1
1 974 . 8 1 1 A 87 87 ALA CB C 87 20.262 20.679 -0.417 1
1 975 . 8 1 1 A 88 88 ILE HA H 88 4.015 4.406 -0.391 1
1 985 . 8 1 1 A 88 88 ILE CA C 88 63.697 59.997 3.700 1
1 986 . 8 1 1 A 88 88 ILE CB C 88 38.931 39.407 -0.476 1
1 990 . 8 1 1 A 89 89 THR HA H 89 4.224 4.051 0.173 1
1 994 . 8 1 1 A 89 89 THR CA C 89 63.088 66.326 -3.238 1
1 996 . 8 1 1 A 90 90 ARG HA H 90 4.105 4.090 0.015 1
1 1003 . 8 1 1 A 90 90 ARG CA C 90 58.412 58.255 0.157 1
1 1004 . 8 1 1 A 90 90 ARG CB C 90 30.907 29.922 0.985 1
1 1007 . 8 1 1 A 91 91 VAL HA H 91 4.047 4.053 -0.006 1
1 1015 . 8 1 1 A 91 91 VAL C C 91 175.627 175.793 -0.166 1
1 1016 . 8 1 1 A 91 91 VAL CA C 91 62.923 63.444 -0.521 1
1 1017 . 8 1 1 A 91 91 VAL CB C 91 32.060 32.558 -0.498 1
1 1020 . 8 1 1 A 92 92 HIS HA H 92 4.567 4.481 0.086 1
1 1023 . 8 1 1 A 92 92 HIS CA C 92 57.021 57.483 -0.462 1
1 1024 . 8 1 1 A 92 92 HIS CB C 92 31.579 30.474 1.105 1
1 1025 . 8 1 1 A 93 93 LYS H H 93 8.490 8.429 0.061 1
1 1026 . 8 1 1 A 93 93 LYS HA H 93 4.149 4.215 -0.066 1
1 1035 . 8 1 1 A 93 93 LYS CA C 93 58.472 56.698 1.774 1
1 1036 . 8 1 1 A 93 93 LYS CB C 93 32.632 32.731 -0.099 1
1 1040 . 8 1 1 A 93 93 LYS N N 93 123.001 122.373 0.628 1
1 1041 . 8 1 1 A 94 94 GLU HA H 94 4.265 4.752 -0.487 1
1 1046 . 8 1 1 A 94 94 GLU CA C 94 57.682 55.711 1.971 1
1 1047 . 8 1 1 A 94 94 GLU CB C 94 30.952 29.451 1.501 1
1 1049 . 8 1 1 A 95 95 TYR HA H 95 4.205 4.252 -0.047 1
1 1056 . 8 1 1 A 95 95 TYR C C 95 176.555 177.443 -0.888 1
1 1057 . 8 1 1 A 95 95 TYR CA C 95 60.582 61.398 -0.816 1
1 1058 . 8 1 1 A 95 95 TYR CB C 95 39.000 38.641 0.359 1
1 1063 . 8 1 1 A 96 96 ASP H H 96 8.104 8.305 -0.201 1
1 1064 . 8 1 1 A 96 96 ASP HA H 96 4.252 4.190 0.062 1
1 1067 . 8 1 1 A 96 96 ASP CA C 96 58.583 57.215 1.368 1
1 1068 . 8 1 1 A 96 96 ASP CB C 96 41.058 40.349 0.709 1
1 1069 . 8 1 1 A 96 96 ASP N N 96 120.068 119.139 0.929 1
1 1070 . 8 1 1 A 97 97 ALA HA H 97 3.964 4.099 -0.135 1
1 1074 . 8 1 1 A 97 97 ALA C C 97 179.912 179.696 0.216 1
1 1075 . 8 1 1 A 97 97 ALA CA C 97 55.582 55.417 0.165 1
1 1076 . 8 1 1 A 97 97 ALA CB C 97 18.849 18.278 0.571 1
1 1077 . 8 1 1 A 98 98 MET H H 98 7.422 7.709 -0.287 1
1 1078 . 8 1 1 A 98 98 MET HA H 98 3.847 4.010 -0.163 1
1 1083 . 8 1 1 A 98 98 MET C C 98 177.185 177.900 -0.715 1
1 1084 . 8 1 1 A 98 98 MET CA C 98 59.943 58.427 1.516 1
1 1085 . 8 1 1 A 98 98 MET CB C 98 32.583 31.590 0.993 1
1 1087 . 8 1 1 A 98 98 MET N N 98 120.651 118.834 1.817 1
1 1088 . 8 1 1 A 99 99 PHE H H 99 8.652 8.479 0.173 1
1 1089 . 8 1 1 A 99 99 PHE HA H 99 4.150 3.963 0.187 1
1 1097 . 8 1 1 A 99 99 PHE C C 99 177.911 177.975 -0.064 1
1 1098 . 8 1 1 A 99 99 PHE CA C 99 61.936 61.957 -0.021 1
1 1099 . 8 1 1 A 99 99 PHE CB C 99 39.302 38.857 0.445 1
1 1105 . 8 1 1 A 99 99 PHE N N 99 119.857 120.125 -0.268 1
1 1106 . 8 1 1 A 100 100 GLU H H 100 8.232 8.355 -0.123 1
1 1107 . 8 1 1 A 100 100 GLU HA H 100 4.094 4.178 -0.084 1
1 1112 . 8 1 1 A 100 100 GLU CA C 100 59.579 58.991 0.588 1
1 1113 . 8 1 1 A 100 100 GLU CB C 100 29.878 29.405 0.473 1
1 1115 . 8 1 1 A 100 100 GLU N N 100 117.666 117.872 -0.206 1
1 1116 . 8 1 1 A 101 101 ASP HA H 101 4.568 4.455 0.113 1
1 1119 . 8 1 1 A 101 101 ASP C C 101 177.667 178.684 -1.017 1
1 1120 . 8 1 1 A 101 101 ASP CA C 101 58.940 57.320 1.620 1
1 1121 . 8 1 1 A 101 101 ASP CB C 101 43.462 41.175 2.287 1
1 1122 . 8 1 1 A 102 102 ILE H H 102 8.370 7.778 0.592 1
1 1123 . 8 1 1 A 102 102 ILE HA H 102 3.319 3.502 -0.183 1
1 1133 . 8 1 1 A 102 102 ILE C C 102 177.347 177.925 -0.578 1
1 1134 . 8 1 1 A 102 102 ILE CA C 102 67.567 64.914 2.653 1
1 1135 . 8 1 1 A 102 102 ILE CB C 102 38.766 37.661 1.105 1
1 1139 . 8 1 1 A 102 102 ILE N N 102 118.449 119.937 -1.488 1
1 1140 . 8 1 1 A 103 103 ARG H H 103 8.450 7.864 0.586 1
1 1141 . 8 1 1 A 103 103 ARG HA H 103 3.834 4.011 -0.177 1
1 1148 . 8 1 1 A 103 103 ARG C C 103 178.760 178.361 0.399 1
1 1149 . 8 1 1 A 103 103 ARG CA C 103 61.318 58.561 2.757 1
1 1150 . 8 1 1 A 103 103 ARG CB C 103 30.978 30.011 0.967 1
1 1153 . 8 1 1 A 103 103 ARG N N 103 118.941 120.458 -1.517 1
1 1154 . 8 1 1 A 104 104 ALA H H 104 8.289 7.771 0.518 1
1 1155 . 8 1 1 A 104 104 ALA HA H 104 4.072 4.075 -0.003 1
1 1159 . 8 1 1 A 104 104 ALA C C 104 181.340 179.327 2.013 1
1 1160 . 8 1 1 A 104 104 ALA CA C 104 56.021 55.332 0.689 1
1 1161 . 8 1 1 A 104 104 ALA CB C 104 18.962 18.320 0.642 1
1 1162 . 8 1 1 A 104 104 ALA N N 104 121.028 122.676 -1.648 1
1 1163 . 8 1 1 A 105 105 LYS H H 105 8.231 7.875 0.356 1
1 1164 . 8 1 1 A 105 105 LYS HA H 105 4.013 4.002 0.011 1
1 1173 . 8 1 1 A 105 105 LYS C C 105 179.414 178.932 0.482 1
1 1174 . 8 1 1 A 105 105 LYS CA C 105 60.025 59.455 0.570 1
1 1175 . 8 1 1 A 105 105 LYS CB C 105 34.341 32.255 2.086 1
1 1179 . 8 1 1 A 105 105 LYS N N 105 118.789 118.509 0.280 1
1 1180 . 8 1 1 A 106 106 LEU H H 106 8.289 8.331 -0.042 1
1 1181 . 8 1 1 A 106 106 LEU HA H 106 4.043 4.017 0.026 1
1 1191 . 8 1 1 A 106 106 LEU C C 106 178.091 178.607 -0.516 1
1 1192 . 8 1 1 A 106 106 LEU CA C 106 57.469 57.416 0.053 1
1 1193 . 8 1 1 A 106 106 LEU CB C 106 43.248 41.205 2.043 1
1 1197 . 8 1 1 A 106 106 LEU N N 106 119.086 119.098 -0.012 1
1 1198 . 8 1 1 A 107 107 HIS H H 107 7.861 7.754 0.107 1
1 1199 . 8 1 1 A 107 107 HIS HA H 107 4.428 4.333 0.095 1
1 1203 . 8 1 1 A 107 107 HIS C C 107 175.263 174.816 0.447 1
1 1204 . 8 1 1 A 107 107 HIS CA C 107 58.218 58.488 -0.270 1
1 1205 . 8 1 1 A 107 107 HIS CB C 107 30.819 30.436 0.383 1
1 1207 . 8 1 1 A 107 107 HIS N N 107 118.172 118.453 -0.281 1
1 1208 . 8 1 1 A 108 108 ALA H H 108 7.505 7.879 -0.374 1
1 1209 . 8 1 1 A 108 108 ALA HA H 108 4.218 3.878 0.340 1
1 1213 . 8 1 1 A 108 108 ALA C C 108 179.374 175.682 3.692 1
1 1214 . 8 1 1 A 108 108 ALA CA C 108 53.303 53.573 -0.270 1
1 1215 . 8 1 1 A 108 108 ALA CB C 108 20.005 17.833 2.172 1
1 1216 . 8 1 1 A 108 108 ALA N N 108 121.363 120.565 0.798 1
1 1217 . 8 1 1 A 109 109 HIS H H 109 7.987 7.824 0.163 1
1 1218 . 8 1 1 A 109 109 HIS HA H 109 4.770 5.089 -0.319 1
1 1221 . 8 1 1 A 109 109 HIS CA C 109 55.217 53.699 1.518 1
1 1222 . 8 1 1 A 109 109 HIS CB C 109 31.250 33.112 -1.862 1
1 1223 . 8 1 1 A 109 109 HIS N N 109 120.133 116.625 3.508 1
1 1224 . 8 1 1 A 110 110 PRO HA H 110 4.368 4.730 -0.362 1
1 1231 . 8 1 1 A 110 110 PRO C C 110 177.350 176.356 0.994 1
1 1232 . 8 1 1 A 110 110 PRO CA C 110 64.430 62.533 1.897 1
1 1233 . 8 1 1 A 110 110 PRO CB C 110 32.912 30.421 2.491 1
1 1236 . 8 1 1 A 111 111 GLY H H 111 8.492 8.646 -0.154 1
1 1237 . 8 1 1 A 111 111 GLY HA2 H 111 3.925 3.899 0.026 1
1 1238 . 8 1 1 A 111 111 GLY HA3 H 111 3.925 3.903 0.022 1
1 1239 . 8 1 1 A 111 111 GLY C C 111 173.681 173.881 -0.200 1
1 1240 . 8 1 1 A 111 111 GLY CA C 111 45.831 46.576 -0.745 1
1 1241 . 8 1 1 A 111 111 GLY N N 111 109.622 111.069 -1.447 1
1 1242 . 8 1 1 A 112 112 GLU H H 112 8.139 8.035 0.104 1
1 1243 . 8 1 1 A 112 112 GLU HA H 112 4.573 4.502 0.071 1
1 1248 . 8 1 1 A 112 112 GLU CA C 112 55.099 55.029 0.070 1
1 1249 . 8 1 1 A 112 112 GLU CB C 112 30.664 29.227 1.437 1
1 1251 . 8 1 1 A 112 112 GLU N N 112 121.771 121.787 -0.016 1
1 1252 . 8 1 1 A 113 113 PRO HA H 113 4.411 4.687 -0.276 1
1 1259 . 8 1 1 A 113 113 PRO C C 113 176.943 175.995 0.948 1
1 1260 . 8 1 1 A 113 113 PRO CA C 113 63.990 62.370 1.620 1
1 1261 . 8 1 1 A 113 113 PRO CB C 113 32.817 33.113 -0.296 1
1 1264 . 8 1 1 A 114 114 VAL H H 114 8.226 8.398 -0.172 1
1 1265 . 8 1 1 A 114 114 VAL HA H 114 4.036 4.705 -0.669 1
1 1273 . 8 1 1 A 114 114 VAL C C 114 175.708 174.771 0.937 1
1 1274 . 8 1 1 A 114 114 VAL CA C 114 63.021 60.047 2.974 1
1 1275 . 8 1 1 A 114 114 VAL CB C 114 33.996 34.780 -0.784 1
1 1278 . 8 1 1 A 114 114 VAL N N 114 120.138 120.459 -0.321 1
1 1279 . 8 1 1 A 115 115 ASP H H 115 8.313 8.800 -0.487 1
1 1280 . 8 1 1 A 115 115 ASP HA H 115 4.587 5.264 -0.677 1
1 1283 . 8 1 1 A 115 115 ASP C C 115 176.361 176.570 -0.209 1
1 1284 . 8 1 1 A 115 115 ASP CA C 115 54.760 53.275 1.485 1
1 1285 . 8 1 1 A 115 115 ASP CB C 115 41.888 41.825 0.063 1
1 1286 . 8 1 1 A 115 115 ASP N N 115 123.840 128.690 -4.850 1
1 1287 . 8 1 1 A 116 116 LEU H H 116 8.202 8.076 0.126 1
1 1288 . 8 1 1 A 116 116 LEU HA H 116 4.168 3.919 0.249 1
1 1298 . 8 1 1 A 116 116 LEU C C 116 177.811 178.434 -0.623 1
1 1299 . 8 1 1 A 116 116 LEU CA C 116 56.696 57.957 -1.261 1
1 1300 . 8 1 1 A 116 116 LEU CB C 116 43.084 41.305 1.779 1
1 1304 . 8 1 1 A 116 116 LEU N N 116 123.362 119.688 3.674 1
1 1305 . 8 1 1 A 117 117 GLU H H 117 8.311 8.911 -0.600 1
1 1306 . 8 1 1 A 117 117 GLU HA H 117 4.141 4.122 0.019 1
1 1311 . 8 1 1 A 117 117 GLU C C 117 176.687 179.199 -2.512 1
1 1312 . 8 1 1 A 117 117 GLU CA C 117 57.937 58.221 -0.284 1
1 1313 . 8 1 1 A 117 117 GLU CB C 117 30.685 28.060 2.625 1
1 1315 . 8 1 1 A 117 117 GLU N N 117 119.881 121.765 -1.884 1
1 1316 . 8 1 1 A 118 118 ARG H H 118 7.930 7.786 0.144 1
1 1317 . 8 1 1 A 118 118 ARG HA H 118 4.223 4.135 0.088 1
1 1324 . 8 1 1 A 118 118 ARG C C 118 176.125 178.704 -2.579 1
1 1325 . 8 1 1 A 118 118 ARG CA C 118 57.133 58.387 -1.254 1
1 1326 . 8 1 1 A 118 118 ARG CB C 118 31.445 29.693 1.752 1
1 1329 . 8 1 1 A 118 118 ARG N N 118 120.580 120.267 0.313 1
1 1330 . 8 1 1 A 119 119 ILE H H 119 7.926 7.988 -0.062 1
1 1331 . 8 1 1 A 119 119 ILE HA H 119 4.041 3.871 0.170 1
1 1341 . 8 1 1 A 119 119 ILE C C 119 176.166 178.598 -2.432 1
1 1342 . 8 1 1 A 119 119 ILE CA C 119 62.131 64.311 -2.180 1
1 1343 . 8 1 1 A 119 119 ILE CB C 119 39.327 36.793 2.534 1
1 1347 . 8 1 1 A 119 119 ILE N N 119 121.721 119.230 2.491 1
1 1348 . 8 1 1 A 120 120 ILE H H 120 8.152 7.780 0.372 1
1 1349 . 8 1 1 A 120 120 ILE HA H 120 4.038 4.046 -0.008 1
1 1359 . 8 1 1 A 120 120 ILE C C 120 175.922 176.539 -0.617 1
1 1360 . 8 1 1 A 120 120 ILE CA C 120 61.812 62.846 -1.034 1
1 1361 . 8 1 1 A 120 120 ILE CB C 120 39.091 38.027 1.064 1
1 1365 . 8 1 1 A 120 120 ILE N N 120 125.274 120.232 5.042 1
1 1366 . 8 1 1 A 121 121 ARG H H 121 8.266 7.297 0.969 1
1 1367 . 8 1 1 A 121 121 ARG HA H 121 4.293 4.234 0.059 1
1 1374 . 8 1 1 A 121 121 ARG CA C 121 56.489 55.719 0.770 1
1 1375 . 8 1 1 A 121 121 ARG CB C 121 31.785 30.890 0.895 1
1 1378 . 8 1 1 A 121 121 ARG N N 121 125.412 121.895 3.517 1
1 1379 . 8 1 1 A 122 122 HIS HA H 122 5.066 4.861 0.205 1
1 1383 . 8 1 1 A 122 122 HIS C C 122 175.210 174.565 0.645 1
1 1384 . 8 1 1 A 122 122 HIS CA C 122 56.554 55.575 0.979 1
1 1385 . 8 1 1 A 122 122 HIS CB C 122 32.905 30.805 2.100 1
1 1387 . 8 1 1 A 123 123 GLU H H 123 8.936 8.601 0.335 1
1 1388 . 8 1 1 A 123 123 GLU N N 123 121.008 127.472 -6.464 1
1 1389 . 8 1 1 A 124 124 GLY HA2 H 124 3.984 4.222 -0.238 1
1 1390 . 8 1 1 A 124 124 GLY HA3 H 124 3.913 4.230 -0.317 1
1 1391 . 8 1 1 A 124 124 GLY C C 124 173.408 172.512 0.896 1
1 1392 . 8 1 1 A 124 124 GLY CA C 124 46.124 45.791 0.333 1
1 10 . 9 1 1 A 2 2 GLY H H 2 8.402 8.556 -0.154 1
1 11 . 9 1 1 A 2 2 GLY HA2 H 2 3.903 4.095 -0.192 1
1 12 . 9 1 1 A 2 2 GLY HA3 H 2 3.903 4.161 -0.258 1
1 13 . 9 1 1 A 2 2 GLY C C 2 172.919 173.228 -0.309 1
1 14 . 9 1 1 A 2 2 GLY CA C 2 45.814 45.990 -0.176 1
1 15 . 9 1 1 A 2 2 GLY N N 2 110.769 113.296 -2.527 1
1 16 . 9 1 1 A 3 3 HIS H H 3 8.198 8.394 -0.196 1
1 17 . 9 1 1 A 3 3 HIS N N 3 120.514 119.983 0.531 1
1 18 . 9 1 1 A 4 4 MET HA H 4 4.688 4.811 -0.123 1
1 26 . 9 1 1 A 4 4 MET CA C 4 56.462 54.259 2.203 1
1 27 . 9 1 1 A 4 4 MET CB C 4 35.293 36.503 -1.210 1
1 30 . 9 1 1 A 5 5 PHE H H 5 8.690 8.973 -0.283 1
1 31 . 9 1 1 A 5 5 PHE HA H 5 5.254 4.843 0.411 1
1 39 . 9 1 1 A 5 5 PHE C C 5 173.490 174.752 -1.262 1
1 40 . 9 1 1 A 5 5 PHE CA C 5 58.548 58.955 -0.407 1
1 41 . 9 1 1 A 5 5 PHE CB C 5 43.312 40.353 2.959 1
1 47 . 9 1 1 A 5 5 PHE N N 5 123.462 123.231 0.231 1
1 48 . 9 1 1 A 6 6 GLU H H 6 7.963 8.628 -0.665 1
1 49 . 9 1 1 A 6 6 GLU HA H 6 4.182 4.644 -0.462 1
1 54 . 9 1 1 A 6 6 GLU CA C 6 53.572 53.342 0.230 1
1 55 . 9 1 1 A 6 6 GLU CB C 6 31.259 32.803 -1.544 1
1 57 . 9 1 1 A 6 6 GLU N N 6 127.826 123.279 4.547 1
1 58 . 9 1 1 A 7 7 PRO HA H 7 3.783 4.205 -0.422 1
1 65 . 9 1 1 A 7 7 PRO C C 7 177.433 177.339 0.094 1
1 66 . 9 1 1 A 7 7 PRO CA C 7 66.503 63.629 2.874 1
1 67 . 9 1 1 A 7 7 PRO CB C 7 31.785 31.244 0.541 1
1 70 . 9 1 1 A 8 8 GLY H H 8 7.537 8.860 -1.323 1
1 71 . 9 1 1 A 8 8 GLY HA2 H 8 3.896 3.458 0.438 1
1 72 . 9 1 1 A 8 8 GLY HA3 H 8 2.085 3.765 -1.680 1
1 73 . 9 1 1 A 8 8 GLY C C 8 174.730 173.066 1.664 1
1 74 . 9 1 1 A 8 8 GLY CA C 8 46.895 44.908 1.987 1
1 75 . 9 1 1 A 8 8 GLY N N 8 111.178 112.587 -1.409 1
1 76 . 9 1 1 A 9 9 HIS H H 9 9.112 7.498 1.614 1
1 77 . 9 1 1 A 9 9 HIS HA H 9 5.699 5.154 0.545 1
1 81 . 9 1 1 A 9 9 HIS C C 9 170.886 172.729 -1.843 1
1 82 . 9 1 1 A 9 9 HIS CA C 9 55.252 55.824 -0.572 1
1 83 . 9 1 1 A 9 9 HIS CB C 9 32.029 33.202 -1.173 1
1 85 . 9 1 1 A 9 9 HIS N N 9 122.719 119.214 3.505 1
1 86 . 9 1 1 A 10 10 LEU H H 10 9.637 8.596 1.041 1
1 87 . 9 1 1 A 10 10 LEU HA H 10 5.198 5.425 -0.227 1
1 97 . 9 1 1 A 10 10 LEU C C 10 173.565 173.788 -0.223 1
1 98 . 9 1 1 A 10 10 LEU CA C 10 54.377 53.135 1.242 1
1 99 . 9 1 1 A 10 10 LEU CB C 10 46.916 46.139 0.777 1
1 103 . 9 1 1 A 10 10 LEU N N 10 130.516 127.708 2.808 1
1 104 . 9 1 1 A 11 11 HIS H H 11 9.237 9.190 0.047 1
1 105 . 9 1 1 A 11 11 HIS HA H 11 5.478 5.208 0.270 1
1 109 . 9 1 1 A 11 11 HIS C C 11 173.559 173.752 -0.193 1
1 110 . 9 1 1 A 11 11 HIS CA C 11 53.302 54.234 -0.932 1
1 111 . 9 1 1 A 11 11 HIS CB C 11 34.638 33.151 1.487 1
1 113 . 9 1 1 A 11 11 HIS N N 11 128.715 126.509 2.206 1
1 114 . 9 1 1 A 12 12 LEU H H 12 9.370 8.973 0.397 1
1 115 . 9 1 1 A 12 12 LEU HA H 12 4.863 5.018 -0.155 1
1 125 . 9 1 1 A 12 12 LEU CA C 12 54.243 53.998 0.245 1
1 126 . 9 1 1 A 12 12 LEU CB C 12 45.047 44.016 1.031 1
1 130 . 9 1 1 A 12 12 LEU N N 12 127.423 127.920 -0.497 1
1 131 . 9 1 1 A 13 13 VAL HA H 13 4.847 5.078 -0.231 1
1 139 . 9 1 1 A 13 13 VAL CA C 13 60.665 58.865 1.800 1
1 140 . 9 1 1 A 13 13 VAL CB C 13 35.978 35.323 0.655 1
1 143 . 9 1 1 A 14 14 SER H H 14 8.220 8.846 -0.626 1
1 144 . 9 1 1 A 14 14 SER HA H 14 4.563 4.848 -0.285 1
1 147 . 9 1 1 A 14 14 SER CA C 14 58.588 57.770 0.818 1
1 148 . 9 1 1 A 14 14 SER CB C 14 65.442 63.937 1.505 1
1 149 . 9 1 1 A 14 14 SER N N 14 118.092 117.951 0.141 1
1 150 . 9 1 1 A 15 15 LEU H H 15 8.965 8.548 0.417 1
1 151 . 9 1 1 A 15 15 LEU HA H 15 4.725 4.561 0.164 1
1 161 . 9 1 1 A 15 15 LEU CA C 15 53.203 52.720 0.483 1
1 162 . 9 1 1 A 15 15 LEU CB C 15 42.658 42.103 0.555 1
1 166 . 9 1 1 A 15 15 LEU N N 15 124.969 123.750 1.219 1
1 167 . 9 1 1 A 16 16 PRO HA H 16 4.326 4.395 -0.069 1
1 174 . 9 1 1 A 16 16 PRO C C 16 177.551 176.692 0.859 1
1 175 . 9 1 1 A 16 16 PRO CA C 16 64.262 62.862 1.400 1
1 176 . 9 1 1 A 16 16 PRO CB C 16 32.855 30.895 1.960 1
1 179 . 9 1 1 A 17 17 GLY H H 17 8.597 7.720 0.877 1
1 180 . 9 1 1 A 17 17 GLY HA2 H 17 4.091 3.962 0.129 1
1 181 . 9 1 1 A 17 17 GLY HA3 H 17 3.773 3.970 -0.197 1
1 182 . 9 1 1 A 17 17 GLY C C 17 173.908 174.368 -0.460 1
1 183 . 9 1 1 A 17 17 GLY CA C 17 46.155 45.426 0.729 1
1 184 . 9 1 1 A 17 17 GLY N N 17 110.651 111.630 -0.979 1
1 185 . 9 1 1 A 18 18 LEU H H 18 7.998 7.826 0.172 1
1 186 . 9 1 1 A 18 18 LEU HA H 18 4.318 4.164 0.154 1
1 192 . 9 1 1 A 18 18 LEU CA C 18 56.800 57.473 -0.673 1
1 193 . 9 1 1 A 18 18 LEU CB C 18 43.502 42.483 1.019 1
1 195 . 9 1 1 A 18 18 LEU N N 18 122.006 122.661 -0.655 1
1 196 . 9 1 1 A 19 19 ASP HA H 19 4.330 5.342 -1.012 1
1 199 . 9 1 1 A 19 19 ASP CA C 19 56.800 52.377 4.423 1
1 200 . 9 1 1 A 19 19 ASP CB C 19 43.498 43.947 -0.449 1
1 201 . 9 1 1 A 20 20 GLN HA H 20 4.248 5.115 -0.867 1
1 208 . 9 1 1 A 20 20 GLN CA C 20 56.991 54.559 2.432 1
1 209 . 9 1 1 A 20 20 GLN CB C 20 31.005 30.668 0.337 1
1 212 . 9 1 1 A 21 21 GLN H H 21 7.823 8.693 -0.870 1
1 213 . 9 1 1 A 21 21 GLN HA H 21 4.478 4.664 -0.186 1
1 220 . 9 1 1 A 21 21 GLN C C 21 174.199 173.526 0.673 1
1 221 . 9 1 1 A 21 21 GLN CA C 21 56.424 54.852 1.572 1
1 222 . 9 1 1 A 21 21 GLN CB C 21 33.930 33.203 0.727 1
1 224 . 9 1 1 A 21 21 GLN N N 21 118.190 123.557 -5.367 1
1 226 . 9 1 1 A 22 22 ASP H H 22 8.549 8.592 -0.043 1
1 227 . 9 1 1 A 22 22 ASP HA H 22 4.708 4.746 -0.038 1
1 230 . 9 1 1 A 22 22 ASP C C 22 175.399 175.132 0.267 1
1 231 . 9 1 1 A 22 22 ASP CA C 22 54.415 53.602 0.813 1
1 232 . 9 1 1 A 22 22 ASP CB C 22 42.744 39.533 3.211 1
1 233 . 9 1 1 A 22 22 ASP N N 22 122.563 124.523 -1.960 1
1 234 . 9 1 1 A 23 23 ILE H H 23 8.681 8.555 0.126 1
1 235 . 9 1 1 A 23 23 ILE HA H 23 4.726 5.148 -0.422 1
1 245 . 9 1 1 A 23 23 ILE C C 23 174.896 175.242 -0.346 1
1 246 . 9 1 1 A 23 23 ILE CA C 23 60.384 59.153 1.231 1
1 247 . 9 1 1 A 23 23 ILE CB C 23 42.843 40.759 2.084 1
1 251 . 9 1 1 A 23 23 ILE N N 23 121.642 120.871 0.771 1
1 252 . 9 1 1 A 24 24 ASN H H 24 8.224 9.109 -0.885 1
1 253 . 9 1 1 A 24 24 ASN HA H 24 5.252 6.000 -0.748 1
1 258 . 9 1 1 A 24 24 ASN C C 24 174.672 173.789 0.883 1
1 259 . 9 1 1 A 24 24 ASN CA C 24 54.262 52.446 1.816 1
1 260 . 9 1 1 A 24 24 ASN CB C 24 40.495 42.035 -1.540 1
1 261 . 9 1 1 A 24 24 ASN N N 24 124.418 120.901 3.517 1
1 263 . 9 1 1 A 25 25 ILE H H 25 9.453 9.166 0.287 1
1 264 . 9 1 1 A 25 25 ILE HA H 25 4.896 5.191 -0.295 1
1 274 . 9 1 1 A 25 25 ILE C C 25 173.645 174.932 -1.287 1
1 275 . 9 1 1 A 25 25 ILE CA C 25 61.580 60.276 1.304 1
1 276 . 9 1 1 A 25 25 ILE CB C 25 44.146 42.722 1.424 1
1 280 . 9 1 1 A 25 25 ILE N N 25 122.056 123.579 -1.523 1
1 281 . 9 1 1 A 26 26 HIS H H 26 9.716 8.996 0.720 1
1 282 . 9 1 1 A 26 26 HIS HA H 26 5.404 5.379 0.025 1
1 286 . 9 1 1 A 26 26 HIS C C 26 175.078 174.793 0.285 1
1 287 . 9 1 1 A 26 26 HIS CA C 26 55.881 54.781 1.100 1
1 288 . 9 1 1 A 26 26 HIS CB C 26 32.829 32.545 0.284 1
1 290 . 9 1 1 A 26 26 HIS N N 26 126.720 124.722 1.998 1
1 291 . 9 1 1 A 27 27 ILE H H 27 9.935 8.860 1.075 1
1 292 . 9 1 1 A 27 27 ILE HA H 27 5.096 4.824 0.272 1
1 302 . 9 1 1 A 27 27 ILE C C 27 174.860 175.065 -0.205 1
1 303 . 9 1 1 A 27 27 ILE CA C 27 61.915 60.822 1.093 1
1 304 . 9 1 1 A 27 27 ILE CB C 27 40.667 40.054 0.613 1
1 308 . 9 1 1 A 27 27 ILE N N 27 123.352 122.316 1.036 1
1 309 . 9 1 1 A 28 28 ARG H H 28 9.315 9.238 0.077 1
1 310 . 9 1 1 A 28 28 ARG HA H 28 5.621 4.929 0.692 1
1 317 . 9 1 1 A 28 28 ARG C C 28 175.573 175.418 0.155 1
1 318 . 9 1 1 A 28 28 ARG CA C 28 54.904 55.278 -0.374 1
1 319 . 9 1 1 A 28 28 ARG CB C 28 33.782 32.457 1.325 1
1 322 . 9 1 1 A 28 28 ARG N N 28 127.731 127.558 0.173 1
1 323 . 9 1 1 A 29 29 TYR H H 29 7.656 8.167 -0.511 1
1 324 . 9 1 1 A 29 29 TYR HA H 29 5.831 5.438 0.393 1
1 331 . 9 1 1 A 29 29 TYR C C 29 173.770 174.582 -0.812 1
1 332 . 9 1 1 A 29 29 TYR CA C 29 55.377 55.605 -0.228 1
1 333 . 9 1 1 A 29 29 TYR CB C 29 43.035 41.406 1.629 1
1 338 . 9 1 1 A 29 29 TYR N N 29 117.229 119.654 -2.425 1
1 339 . 9 1 1 A 30 30 GLU H H 30 8.323 8.541 -0.218 1
1 340 . 9 1 1 A 30 30 GLU HA H 30 4.381 4.747 -0.366 1
1 345 . 9 1 1 A 30 30 GLU C C 30 173.976 175.328 -1.352 1
1 346 . 9 1 1 A 30 30 GLU CA C 30 55.235 55.270 -0.035 1
1 347 . 9 1 1 A 30 30 GLU CB C 30 34.494 31.649 2.845 1
1 349 . 9 1 1 A 30 30 GLU N N 30 117.003 124.520 -7.517 1
1 350 . 9 1 1 A 31 31 VAL H H 31 8.957 8.545 0.412 1
1 351 . 9 1 1 A 31 31 VAL HA H 31 4.262 4.179 0.083 1
1 359 . 9 1 1 A 31 31 VAL C C 31 175.045 175.084 -0.039 1
1 360 . 9 1 1 A 31 31 VAL CA C 31 63.418 61.967 1.451 1
1 361 . 9 1 1 A 31 31 VAL CB C 31 32.211 31.105 1.106 1
1 364 . 9 1 1 A 31 31 VAL N N 31 125.299 125.902 -0.603 1
1 365 . 9 1 1 A 32 32 ARG H H 32 8.550 8.777 -0.227 1
1 366 . 9 1 1 A 32 32 ARG HA H 32 4.408 5.003 -0.595 1
1 373 . 9 1 1 A 32 32 ARG C C 32 173.222 174.309 -1.087 1
1 374 . 9 1 1 A 32 32 ARG CA C 32 55.048 53.633 1.415 1
1 375 . 9 1 1 A 32 32 ARG CB C 32 34.646 33.872 0.774 1
1 378 . 9 1 1 A 32 32 ARG N N 32 128.345 128.718 -0.373 1
1 379 . 9 1 1 A 33 33 GLN H H 33 8.148 8.648 -0.500 1
1 380 . 9 1 1 A 33 33 GLN HA H 33 4.697 5.249 -0.552 1
1 387 . 9 1 1 A 33 33 GLN C C 33 175.419 175.316 0.103 1
1 388 . 9 1 1 A 33 33 GLN CA C 33 55.943 54.555 1.388 1
1 389 . 9 1 1 A 33 33 GLN CB C 33 31.679 30.534 1.145 1
1 391 . 9 1 1 A 33 33 GLN N N 33 116.088 123.320 -7.232 1
1 393 . 9 1 1 A 34 34 ASN H H 34 8.323 8.912 -0.589 1
1 394 . 9 1 1 A 34 34 ASN HA H 34 4.825 5.266 -0.441 1
1 399 . 9 1 1 A 34 34 ASN CA C 34 53.468 51.754 1.714 1
1 400 . 9 1 1 A 34 34 ASN CB C 34 41.559 40.099 1.460 1
1 401 . 9 1 1 A 34 34 ASN N N 34 121.088 124.391 -3.303 1
1 403 . 9 1 1 A 35 35 ALA HA H 35 4.099 3.997 0.102 1
1 407 . 9 1 1 A 35 35 ALA C C 35 178.472 179.352 -0.880 1
1 408 . 9 1 1 A 35 35 ALA CA C 35 55.591 54.839 0.752 1
1 409 . 9 1 1 A 35 35 ALA CB C 35 19.600 18.203 1.397 1
1 410 . 9 1 1 A 36 36 GLU H H 36 8.362 8.041 0.321 1
1 411 . 9 1 1 A 36 36 GLU HA H 36 4.263 4.008 0.255 1
1 416 . 9 1 1 A 36 36 GLU C C 36 177.727 177.770 -0.043 1
1 417 . 9 1 1 A 36 36 GLU CA C 36 59.010 59.062 -0.052 1
1 418 . 9 1 1 A 36 36 GLU CB C 36 31.059 29.834 1.225 1
1 420 . 9 1 1 A 36 36 GLU N N 36 116.669 120.005 -3.336 1
1 421 . 9 1 1 A 37 37 SER H H 37 8.338 7.931 0.407 1
1 422 . 9 1 1 A 37 37 SER HA H 37 4.515 4.649 -0.134 1
1 425 . 9 1 1 A 37 37 SER C C 37 175.134 175.096 0.038 1
1 426 . 9 1 1 A 37 37 SER CA C 37 59.568 58.283 1.285 1
1 427 . 9 1 1 A 37 37 SER CB C 37 65.114 64.934 0.180 1
1 428 . 9 1 1 A 37 37 SER N N 37 111.971 112.216 -0.245 1
1 429 . 9 1 1 A 38 38 GLY H H 38 8.098 7.817 0.281 1
1 430 . 9 1 1 A 38 38 GLY HA2 H 38 4.294 4.015 0.279 1
1 431 . 9 1 1 A 38 38 GLY HA3 H 38 3.975 4.016 -0.041 1
1 432 . 9 1 1 A 38 38 GLY C C 38 173.759 173.762 -0.003 1
1 433 . 9 1 1 A 38 38 GLY CA C 38 45.904 45.289 0.615 1
1 434 . 9 1 1 A 38 38 GLY N N 38 111.508 108.594 2.914 1
1 435 . 9 1 1 A 39 39 ALA H H 39 8.450 8.078 0.372 1
1 436 . 9 1 1 A 39 39 ALA HA H 39 4.902 4.774 0.128 1
1 440 . 9 1 1 A 39 39 ALA C C 39 177.193 177.089 0.104 1
1 441 . 9 1 1 A 39 39 ALA CA C 39 52.880 51.915 0.965 1
1 442 . 9 1 1 A 39 39 ALA CB C 39 20.714 19.665 1.049 1
1 443 . 9 1 1 A 39 39 ALA N N 39 124.210 125.521 -1.311 1
1 444 . 9 1 1 A 40 40 TYR H H 40 8.854 8.576 0.278 1
1 445 . 9 1 1 A 40 40 TYR HA H 40 4.796 5.257 -0.461 1
1 452 . 9 1 1 A 40 40 TYR C C 40 171.595 172.696 -1.101 1
1 453 . 9 1 1 A 40 40 TYR CA C 40 56.552 56.002 0.550 1
1 454 . 9 1 1 A 40 40 TYR CB C 40 41.319 40.676 0.643 1
1 459 . 9 1 1 A 40 40 TYR N N 40 118.580 117.276 1.304 1
1 460 . 9 1 1 A 41 41 VAL H H 41 9.275 8.377 0.898 1
1 461 . 9 1 1 A 41 41 VAL HA H 41 4.430 4.514 -0.084 1
1 469 . 9 1 1 A 41 41 VAL C C 41 174.098 173.757 0.341 1
1 470 . 9 1 1 A 41 41 VAL CA C 41 61.566 60.657 0.909 1
1 471 . 9 1 1 A 41 41 VAL CB C 41 33.852 34.605 -0.753 1
1 474 . 9 1 1 A 41 41 VAL N N 41 118.445 119.108 -0.663 1
1 475 . 9 1 1 A 42 42 HIS H H 42 8.789 8.658 0.131 1
1 476 . 9 1 1 A 42 42 HIS HA H 42 4.814 4.694 0.120 1
1 480 . 9 1 1 A 42 42 HIS C C 42 172.353 173.088 -0.735 1
1 481 . 9 1 1 A 42 42 HIS CA C 42 56.537 55.586 0.951 1
1 482 . 9 1 1 A 42 42 HIS CB C 42 31.587 30.938 0.649 1
1 484 . 9 1 1 A 42 42 HIS N N 42 125.741 126.892 -1.151 1
1 485 . 9 1 1 A 43 43 PHE H H 43 8.604 8.641 -0.037 1
1 486 . 9 1 1 A 43 43 PHE HA H 43 4.933 5.144 -0.211 1
1 494 . 9 1 1 A 43 43 PHE C C 43 174.119 173.609 0.510 1
1 495 . 9 1 1 A 43 43 PHE CA C 43 56.591 56.685 -0.094 1
1 496 . 9 1 1 A 43 43 PHE CB C 43 41.053 40.288 0.765 1
1 502 . 9 1 1 A 43 43 PHE N N 43 125.631 126.212 -0.581 1
1 503 . 9 1 1 A 44 44 ASP H H 44 9.322 8.824 0.498 1
1 504 . 9 1 1 A 44 44 ASP HA H 44 5.187 5.439 -0.252 1
1 507 . 9 1 1 A 44 44 ASP C C 44 175.076 174.447 0.629 1
1 508 . 9 1 1 A 44 44 ASP CA C 44 55.145 52.596 2.549 1
1 509 . 9 1 1 A 44 44 ASP CB C 44 45.197 44.262 0.935 1
1 510 . 9 1 1 A 44 44 ASP N N 44 121.184 123.649 -2.465 1
1 511 . 9 1 1 A 45 45 MET H H 45 9.110 9.115 -0.005 1
1 512 . 9 1 1 A 45 45 MET HA H 45 5.765 6.017 -0.252 1
1 520 . 9 1 1 A 45 45 MET C C 45 173.254 174.405 -1.151 1
1 521 . 9 1 1 A 45 45 MET CA C 45 54.810 54.262 0.548 1
1 522 . 9 1 1 A 45 45 MET CB C 45 38.632 35.973 2.659 1
1 525 . 9 1 1 A 45 45 MET N N 45 121.976 124.419 -2.443 1
1 526 . 9 1 1 A 46 46 ASP H H 46 8.763 8.987 -0.224 1
1 527 . 9 1 1 A 46 46 ASP HA H 46 4.373 4.695 -0.322 1
1 530 . 9 1 1 A 46 46 ASP C C 46 173.396 174.009 -0.613 1
1 531 . 9 1 1 A 46 46 ASP CA C 46 53.810 52.293 1.517 1
1 532 . 9 1 1 A 46 46 ASP CB C 46 44.722 43.779 0.943 1
1 533 . 9 1 1 A 46 46 ASP N N 46 121.797 122.285 -0.488 1
1 534 . 9 1 1 A 47 47 GLY H H 47 7.154 7.042 0.112 1
1 535 . 9 1 1 A 47 47 GLY HA2 H 47 5.075 3.997 1.078 1
1 536 . 9 1 1 A 47 47 GLY HA3 H 47 3.927 4.094 -0.167 1
1 537 . 9 1 1 A 47 47 GLY C C 47 172.328 171.867 0.461 1
1 538 . 9 1 1 A 47 47 GLY CA C 47 45.820 45.518 0.302 1
1 539 . 9 1 1 A 47 47 GLY N N 47 105.470 105.180 0.290 1
1 540 . 9 1 1 A 48 48 GLU H H 48 9.100 8.810 0.290 1
1 541 . 9 1 1 A 48 48 GLU HA H 48 5.257 5.742 -0.485 1
1 546 . 9 1 1 A 48 48 GLU C C 48 175.019 174.596 0.423 1
1 547 . 9 1 1 A 48 48 GLU CA C 48 56.247 54.895 1.352 1
1 548 . 9 1 1 A 48 48 GLU CB C 48 35.076 31.983 3.093 1
1 550 . 9 1 1 A 48 48 GLU N N 48 119.799 118.243 1.556 1
1 551 . 9 1 1 A 49 49 ILE H H 49 7.945 8.455 -0.510 1
1 552 . 9 1 1 A 49 49 ILE HA H 49 4.540 4.884 -0.344 1
1 562 . 9 1 1 A 49 49 ILE C C 49 176.382 175.658 0.724 1
1 563 . 9 1 1 A 49 49 ILE CA C 49 61.321 60.001 1.320 1
1 564 . 9 1 1 A 49 49 ILE CB C 49 41.847 38.730 3.117 1
1 568 . 9 1 1 A 49 49 ILE N N 49 120.718 126.506 -5.788 1
1 569 . 9 1 1 A 50 50 ASP H H 50 10.048 9.639 0.409 1
1 570 . 9 1 1 A 50 50 ASP HA H 50 4.522 4.403 0.119 1
1 573 . 9 1 1 A 50 50 ASP C C 50 176.193 176.360 -0.167 1
1 574 . 9 1 1 A 50 50 ASP CA C 50 56.872 55.495 1.377 1
1 575 . 9 1 1 A 50 50 ASP CB C 50 40.754 39.402 1.352 1
1 576 . 9 1 1 A 50 50 ASP N N 50 130.256 129.154 1.102 1
1 577 . 9 1 1 A 51 51 GLY H H 51 9.048 8.419 0.629 1
1 578 . 9 1 1 A 51 51 GLY HA2 H 51 4.126 3.903 0.223 1
1 579 . 9 1 1 A 51 51 GLY HA3 H 51 3.660 3.913 -0.253 1
1 580 . 9 1 1 A 51 51 GLY C C 51 173.935 173.908 0.027 1
1 581 . 9 1 1 A 51 51 GLY CA C 51 46.194 45.516 0.678 1
1 582 . 9 1 1 A 51 51 GLY N N 51 103.446 104.962 -1.516 1
1 583 . 9 1 1 A 52 52 LYS H H 52 7.905 7.800 0.105 1
1 584 . 9 1 1 A 52 52 LYS HA H 52 5.014 4.544 0.470 1
1 593 . 9 1 1 A 52 52 LYS CA C 52 53.809 52.779 1.030 1
1 594 . 9 1 1 A 52 52 LYS CB C 52 33.788 32.828 0.960 1
1 598 . 9 1 1 A 52 52 LYS N N 52 122.692 121.254 1.438 1
1 599 . 9 1 1 A 53 53 PRO HA H 53 5.523 5.127 0.396 1
1 606 . 9 1 1 A 53 53 PRO C C 53 176.300 176.707 -0.407 1
1 607 . 9 1 1 A 53 53 PRO CA C 53 62.896 62.819 0.077 1
1 608 . 9 1 1 A 53 53 PRO CB C 53 33.920 32.550 1.370 1
1 611 . 9 1 1 A 54 54 PHE H H 54 8.643 8.558 0.085 1
1 612 . 9 1 1 A 54 54 PHE HA H 54 4.907 5.399 -0.492 1
1 620 . 9 1 1 A 54 54 PHE C C 54 172.840 173.311 -0.471 1
1 621 . 9 1 1 A 54 54 PHE CA C 54 57.173 55.480 1.693 1
1 622 . 9 1 1 A 54 54 PHE CB C 54 43.620 42.638 0.982 1
1 628 . 9 1 1 A 54 54 PHE N N 54 117.436 119.182 -1.746 1
1 629 . 9 1 1 A 55 55 SER H H 55 8.009 9.182 -1.173 1
1 630 . 9 1 1 A 55 55 SER HA H 55 4.822 5.200 -0.378 1
1 633 . 9 1 1 A 55 55 SER C C 55 172.856 172.604 0.252 1
1 634 . 9 1 1 A 55 55 SER CA C 55 58.238 56.632 1.606 1
1 635 . 9 1 1 A 55 55 SER CB C 55 66.163 65.035 1.128 1
1 636 . 9 1 1 A 55 55 SER N N 55 113.907 114.439 -0.532 1
1 637 . 9 1 1 A 56 56 ASP H H 56 9.593 9.048 0.545 1
1 638 . 9 1 1 A 56 56 ASP HA H 56 4.985 5.640 -0.655 1
1 641 . 9 1 1 A 56 56 ASP C C 56 175.049 174.523 0.526 1
1 642 . 9 1 1 A 56 56 ASP CA C 56 54.043 53.093 0.950 1
1 643 . 9 1 1 A 56 56 ASP CB C 56 46.425 44.809 1.616 1
1 644 . 9 1 1 A 56 56 ASP N N 56 125.145 125.898 -0.753 1
1 645 . 9 1 1 A 57 57 SER H H 57 10.207 8.917 1.290 1
1 646 . 9 1 1 A 57 57 SER HA H 57 5.383 5.292 0.091 1
1 649 . 9 1 1 A 57 57 SER C C 57 172.452 173.479 -1.027 1
1 650 . 9 1 1 A 57 57 SER CA C 57 59.008 57.014 1.994 1
1 651 . 9 1 1 A 57 57 SER CB C 57 67.802 66.378 1.424 1
1 652 . 9 1 1 A 57 57 SER N N 57 115.172 118.666 -3.494 1
1 653 . 9 1 1 A 58 58 PHE H H 58 8.623 8.775 -0.152 1
1 654 . 9 1 1 A 58 58 PHE HA H 58 4.904 5.676 -0.772 1
1 662 . 9 1 1 A 58 58 PHE C C 58 172.447 173.027 -0.580 1
1 663 . 9 1 1 A 58 58 PHE CA C 58 57.781 55.440 2.341 1
1 664 . 9 1 1 A 58 58 PHE CB C 58 40.736 42.801 -2.065 1
1 670 . 9 1 1 A 58 58 PHE N N 58 115.065 118.001 -2.936 1
1 671 . 9 1 1 A 59 59 GLU H H 59 8.721 8.978 -0.257 1
1 672 . 9 1 1 A 59 59 GLU HA H 59 5.595 5.515 0.080 1
1 677 . 9 1 1 A 59 59 GLU C C 59 175.836 175.848 -0.012 1
1 678 . 9 1 1 A 59 59 GLU CA C 59 55.290 54.899 0.391 1
1 679 . 9 1 1 A 59 59 GLU CB C 59 34.345 33.307 1.038 1
1 681 . 9 1 1 A 59 59 GLU N N 59 118.122 119.998 -1.876 1
1 682 . 9 1 1 A 60 60 LEU H H 60 9.016 8.901 0.115 1
1 683 . 9 1 1 A 60 60 LEU HA H 60 5.221 5.035 0.186 1
1 693 . 9 1 1 A 60 60 LEU CA C 60 52.275 51.270 1.005 1
1 694 . 9 1 1 A 60 60 LEU CB C 60 46.774 45.813 0.961 1
1 698 . 9 1 1 A 60 60 LEU N N 60 121.299 124.294 -2.995 1
1 699 . 9 1 1 A 61 61 PRO HA H 61 4.614 4.688 -0.074 1
1 706 . 9 1 1 A 61 61 PRO C C 61 176.316 177.806 -1.490 1
1 707 . 9 1 1 A 61 61 PRO CA C 61 62.719 62.578 0.141 1
1 708 . 9 1 1 A 61 61 PRO CB C 61 33.758 32.874 0.884 1
1 711 . 9 1 1 A 62 62 ARG H H 62 8.017 8.526 -0.509 1
1 712 . 9 1 1 A 62 62 ARG HA H 62 3.738 3.929 -0.191 1
1 719 . 9 1 1 A 62 62 ARG C C 62 176.976 177.473 -0.497 1
1 720 . 9 1 1 A 62 62 ARG CA C 62 60.653 59.061 1.592 1
1 721 . 9 1 1 A 62 62 ARG CB C 62 31.549 29.653 1.896 1
1 724 . 9 1 1 A 62 62 ARG N N 62 118.159 122.529 -4.370 1
1 725 . 9 1 1 A 63 63 ASP H H 63 8.665 7.964 0.701 1
1 726 . 9 1 1 A 63 63 ASP HA H 63 4.484 4.606 -0.122 1
1 729 . 9 1 1 A 63 63 ASP C C 63 177.483 177.498 -0.015 1
1 730 . 9 1 1 A 63 63 ASP CA C 63 57.335 56.362 0.973 1
1 731 . 9 1 1 A 63 63 ASP CB C 63 41.410 41.535 -0.125 1
1 732 . 9 1 1 A 63 63 ASP N N 63 113.726 118.487 -4.761 1
1 733 . 9 1 1 A 64 64 THR H H 64 7.553 7.685 -0.132 1
1 734 . 9 1 1 A 64 64 THR HA H 64 4.562 4.703 -0.141 1
1 739 . 9 1 1 A 64 64 THR C C 64 175.654 175.357 0.297 1
1 740 . 9 1 1 A 64 64 THR CA C 64 61.499 60.920 0.579 1
1 741 . 9 1 1 A 64 64 THR CB C 64 69.606 70.147 -0.541 1
1 743 . 9 1 1 A 64 64 THR N N 64 107.855 106.083 1.772 1
1 744 . 9 1 1 A 65 65 ALA H H 65 7.406 7.584 -0.178 1
1 745 . 9 1 1 A 65 65 ALA HA H 65 4.012 4.239 -0.227 1
1 749 . 9 1 1 A 65 65 ALA C C 65 176.820 179.901 -3.081 1
1 750 . 9 1 1 A 65 65 ALA CA C 65 55.939 55.028 0.911 1
1 751 . 9 1 1 A 65 65 ALA CB C 65 19.454 17.922 1.532 1
1 752 . 9 1 1 A 65 65 ALA N N 65 123.777 125.893 -2.116 1
1 753 . 9 1 1 A 66 66 PHE H H 66 7.583 7.527 0.056 1
1 754 . 9 1 1 A 66 66 PHE HA H 66 4.381 4.685 -0.304 1
1 762 . 9 1 1 A 66 66 PHE C C 66 176.104 177.621 -1.517 1
1 763 . 9 1 1 A 66 66 PHE CA C 66 58.836 61.409 -2.573 1
1 764 . 9 1 1 A 66 66 PHE CB C 66 37.740 38.316 -0.576 1
1 770 . 9 1 1 A 66 66 PHE N N 66 110.346 115.659 -5.313 1
1 771 . 9 1 1 A 67 67 ASN H H 67 7.984 8.442 -0.458 1
1 772 . 9 1 1 A 67 67 ASN HA H 67 4.848 4.781 0.067 1
1 777 . 9 1 1 A 67 67 ASN C C 67 175.700 176.926 -1.226 1
1 778 . 9 1 1 A 67 67 ASN CA C 67 53.469 54.342 -0.873 1
1 779 . 9 1 1 A 67 67 ASN CB C 67 38.836 39.008 -0.172 1
1 780 . 9 1 1 A 67 67 ASN N N 67 120.591 119.057 1.534 1
1 782 . 9 1 1 A 68 68 PHE H H 68 7.218 7.841 -0.623 1
1 783 . 9 1 1 A 68 68 PHE HA H 68 4.054 4.159 -0.105 1
1 790 . 9 1 1 A 68 68 PHE C C 68 174.796 176.894 -2.098 1
1 791 . 9 1 1 A 68 68 PHE CA C 68 60.849 60.850 -0.001 1
1 792 . 9 1 1 A 68 68 PHE CB C 68 40.263 37.168 3.095 1
1 797 . 9 1 1 A 68 68 PHE N N 68 115.915 117.851 -1.936 1
1 798 . 9 1 1 A 69 69 ALA H H 69 7.780 7.283 0.497 1
1 799 . 9 1 1 A 69 69 ALA HA H 69 3.484 3.223 0.261 1
1 803 . 9 1 1 A 69 69 ALA C C 69 180.022 179.012 1.010 1
1 804 . 9 1 1 A 69 69 ALA CA C 69 56.283 54.429 1.854 1
1 805 . 9 1 1 A 69 69 ALA CB C 69 18.935 17.554 1.381 1
1 806 . 9 1 1 A 69 69 ALA N N 69 124.604 123.325 1.279 1
1 807 . 9 1 1 A 70 70 SER H H 70 7.852 7.302 0.550 1
1 808 . 9 1 1 A 70 70 SER HA H 70 4.061 3.961 0.100 1
1 811 . 9 1 1 A 70 70 SER C C 70 177.054 175.689 1.365 1
1 812 . 9 1 1 A 70 70 SER CA C 70 62.085 61.586 0.499 1
1 813 . 9 1 1 A 70 70 SER CB C 70 62.976 62.863 0.113 1
1 814 . 9 1 1 A 70 70 SER N N 70 114.973 113.978 0.995 1
1 815 . 9 1 1 A 71 71 ASP H H 71 7.602 7.786 -0.184 1
1 816 . 9 1 1 A 71 71 ASP HA H 71 4.012 4.110 -0.098 1
1 819 . 9 1 1 A 71 71 ASP C C 71 177.086 177.664 -0.578 1
1 820 . 9 1 1 A 71 71 ASP CA C 71 58.501 56.679 1.822 1
1 821 . 9 1 1 A 71 71 ASP CB C 71 42.006 40.566 1.440 1
1 822 . 9 1 1 A 71 71 ASP N N 71 123.211 121.761 1.450 1
1 823 . 9 1 1 A 72 72 ALA H H 72 8.406 8.113 0.293 1
1 824 . 9 1 1 A 72 72 ALA HA H 72 3.671 4.099 -0.428 1
1 828 . 9 1 1 A 72 72 ALA C C 72 179.377 179.706 -0.329 1
1 829 . 9 1 1 A 72 72 ALA CA C 72 55.717 54.996 0.721 1
1 830 . 9 1 1 A 72 72 ALA CB C 72 18.658 18.711 -0.053 1
1 831 . 9 1 1 A 72 72 ALA N N 72 119.793 121.244 -1.451 1
1 832 . 9 1 1 A 73 73 THR H H 73 7.631 7.231 0.400 1
1 833 . 9 1 1 A 73 73 THR HA H 73 3.562 3.894 -0.332 1
1 838 . 9 1 1 A 73 73 THR C C 73 175.072 176.076 -1.004 1
1 839 . 9 1 1 A 73 73 THR CA C 73 68.525 66.291 2.234 1
1 840 . 9 1 1 A 73 73 THR CB C 73 69.564 68.121 1.443 1
1 842 . 9 1 1 A 73 73 THR N N 73 114.702 113.931 0.771 1
1 843 . 9 1 1 A 74 74 ARG H H 74 7.629 7.546 0.083 1
1 844 . 9 1 1 A 74 74 ARG HA H 74 3.795 3.923 -0.128 1
1 851 . 9 1 1 A 74 74 ARG C C 74 176.832 178.197 -1.365 1
1 852 . 9 1 1 A 74 74 ARG CA C 74 60.580 58.897 1.683 1
1 853 . 9 1 1 A 74 74 ARG CB C 74 30.409 29.727 0.682 1
1 856 . 9 1 1 A 74 74 ARG N N 74 122.528 120.751 1.777 1
1 857 . 9 1 1 A 75 75 VAL H H 75 8.008 8.220 -0.212 1
1 858 . 9 1 1 A 75 75 VAL HA H 75 3.439 3.780 -0.341 1
1 866 . 9 1 1 A 75 75 VAL C C 75 177.802 177.415 0.387 1
1 867 . 9 1 1 A 75 75 VAL CA C 75 67.492 64.594 2.898 1
1 868 . 9 1 1 A 75 75 VAL CB C 75 32.220 31.461 0.759 1
1 871 . 9 1 1 A 75 75 VAL N N 75 120.044 118.921 1.123 1
1 872 . 9 1 1 A 76 76 ALA H H 76 8.092 8.174 -0.082 1
1 873 . 9 1 1 A 76 76 ALA HA H 76 3.537 4.007 -0.470 1
1 877 . 9 1 1 A 76 76 ALA C C 76 180.078 179.851 0.227 1
1 878 . 9 1 1 A 76 76 ALA CA C 76 56.194 55.559 0.635 1
1 879 . 9 1 1 A 76 76 ALA CB C 76 18.882 17.898 0.984 1
1 880 . 9 1 1 A 76 76 ALA N N 76 120.726 123.735 -3.009 1
1 881 . 9 1 1 A 77 77 GLN H H 77 8.432 8.004 0.428 1
1 882 . 9 1 1 A 77 77 GLN HA H 77 4.428 3.966 0.462 1
1 885 . 9 1 1 A 77 77 GLN CA C 77 58.987 58.284 0.703 1
1 887 . 9 1 1 A 77 77 GLN N N 77 118.235 115.765 2.470 1
1 888 . 9 1 1 A 78 78 LYS H H 78 7.655 7.686 -0.031 1
1 889 . 9 1 1 A 78 78 LYS HA H 78 3.874 3.987 -0.113 1
1 898 . 9 1 1 A 78 78 LYS C C 78 177.044 177.967 -0.923 1
1 899 . 9 1 1 A 78 78 LYS CA C 78 59.393 58.754 0.639 1
1 900 . 9 1 1 A 78 78 LYS CB C 78 32.583 31.884 0.699 1
1 904 . 9 1 1 A 78 78 LYS N N 78 121.797 120.779 1.018 1
1 905 . 9 1 1 A 79 79 HIS H H 79 6.888 7.287 -0.399 1
1 906 . 9 1 1 A 79 79 HIS HA H 79 4.501 4.410 0.091 1
1 909 . 9 1 1 A 79 79 HIS C C 79 174.191 175.076 -0.885 1
1 910 . 9 1 1 A 79 79 HIS CA C 79 56.166 55.885 0.281 1
1 911 . 9 1 1 A 79 79 HIS CB C 79 30.993 29.721 1.272 1
1 912 . 9 1 1 A 79 79 HIS N N 79 115.368 114.962 0.406 1
1 913 . 9 1 1 A 80 80 GLY H H 80 7.159 7.637 -0.478 1
1 914 . 9 1 1 A 80 80 GLY HA2 H 80 4.433 3.817 0.616 1
1 915 . 9 1 1 A 80 80 GLY HA3 H 80 3.541 3.829 -0.288 1
1 916 . 9 1 1 A 80 80 GLY C C 80 175.246 174.824 0.422 1
1 917 . 9 1 1 A 80 80 GLY CA C 80 45.823 46.583 -0.760 1
1 918 . 9 1 1 A 80 80 GLY N N 80 104.319 108.556 -4.237 1
1 919 . 9 1 1 A 81 81 LEU H H 81 7.962 7.728 0.234 1
1 920 . 9 1 1 A 81 81 LEU HA H 81 4.012 4.374 -0.362 1
1 930 . 9 1 1 A 81 81 LEU CA C 81 56.383 54.776 1.607 1
1 931 . 9 1 1 A 81 81 LEU CB C 81 43.506 42.719 0.787 1
1 935 . 9 1 1 A 81 81 LEU N N 81 124.945 120.242 4.703 1
1 936 . 9 1 1 A 83 83 PRO HA H 83 4.248 4.517 -0.269 1
1 943 . 9 1 1 A 83 83 PRO CA C 83 65.606 62.521 3.085 1
1 944 . 9 1 1 A 83 83 PRO CB C 83 32.805 33.058 -0.253 1
1 947 . 9 1 1 A 84 84 LYS HA H 84 4.132 4.021 0.111 1
1 956 . 9 1 1 A 84 84 LYS CA C 84 59.351 59.035 0.316 1
1 957 . 9 1 1 A 84 84 LYS CB C 84 33.109 31.995 1.114 1
1 961 . 9 1 1 A 85 85 PHE HA H 85 3.941 4.240 -0.299 1
1 964 . 9 1 1 A 85 85 PHE CA C 85 59.693 60.896 -1.203 1
1 965 . 9 1 1 A 85 85 PHE CB C 85 39.968 39.857 0.111 1
1 966 . 9 1 1 A 86 86 GLY HA2 H 86 3.721 3.946 -0.225 1
1 967 . 9 1 1 A 86 86 GLY HA3 H 86 3.659 4.077 -0.418 1
1 968 . 9 1 1 A 86 86 GLY CA C 86 44.471 44.292 0.179 1
1 969 . 9 1 1 A 87 87 ALA HA H 87 4.274 4.886 -0.612 1
1 973 . 9 1 1 A 87 87 ALA CA C 87 53.390 51.605 1.785 1
1 974 . 9 1 1 A 87 87 ALA CB C 87 20.262 20.512 -0.250 1
1 975 . 9 1 1 A 88 88 ILE HA H 88 4.015 4.062 -0.047 1
1 985 . 9 1 1 A 88 88 ILE CA C 88 63.697 62.103 1.594 1
1 986 . 9 1 1 A 88 88 ILE CB C 88 38.931 37.210 1.721 1
1 990 . 9 1 1 A 89 89 THR HA H 89 4.224 4.013 0.211 1
1 994 . 9 1 1 A 89 89 THR CA C 89 63.088 65.861 -2.773 1
1 996 . 9 1 1 A 90 90 ARG HA H 90 4.105 4.091 0.014 1
1 1003 . 9 1 1 A 90 90 ARG CA C 90 58.412 59.277 -0.865 1
1 1004 . 9 1 1 A 90 90 ARG CB C 90 30.907 29.863 1.044 1
1 1007 . 9 1 1 A 91 91 VAL HA H 91 4.047 4.205 -0.158 1
1 1015 . 9 1 1 A 91 91 VAL C C 91 175.627 175.812 -0.185 1
1 1016 . 9 1 1 A 91 91 VAL CA C 91 62.923 62.151 0.772 1
1 1017 . 9 1 1 A 91 91 VAL CB C 91 32.060 32.376 -0.316 1
1 1020 . 9 1 1 A 92 92 HIS HA H 92 4.567 4.524 0.043 1
1 1023 . 9 1 1 A 92 92 HIS CA C 92 57.021 57.212 -0.191 1
1 1024 . 9 1 1 A 92 92 HIS CB C 92 31.579 30.204 1.375 1
1 1025 . 9 1 1 A 93 93 LYS H H 93 8.490 8.787 -0.297 1
1 1026 . 9 1 1 A 93 93 LYS HA H 93 4.149 4.403 -0.254 1
1 1035 . 9 1 1 A 93 93 LYS CA C 93 58.472 55.317 3.155 1
1 1036 . 9 1 1 A 93 93 LYS CB C 93 32.632 30.505 2.127 1
1 1040 . 9 1 1 A 93 93 LYS N N 93 123.001 124.827 -1.826 1
1 1041 . 9 1 1 A 94 94 GLU HA H 94 4.265 4.036 0.229 1
1 1046 . 9 1 1 A 94 94 GLU CA C 94 57.682 57.578 0.104 1
1 1047 . 9 1 1 A 94 94 GLU CB C 94 30.952 26.569 4.383 1
1 1049 . 9 1 1 A 95 95 TYR HA H 95 4.205 4.438 -0.233 1
1 1056 . 9 1 1 A 95 95 TYR C C 95 176.555 177.379 -0.824 1
1 1057 . 9 1 1 A 95 95 TYR CA C 95 60.582 61.238 -0.656 1
1 1058 . 9 1 1 A 95 95 TYR CB C 95 39.000 38.823 0.177 1
1 1063 . 9 1 1 A 96 96 ASP H H 96 8.104 8.405 -0.301 1
1 1064 . 9 1 1 A 96 96 ASP HA H 96 4.252 4.093 0.159 1
1 1067 . 9 1 1 A 96 96 ASP CA C 96 58.583 57.170 1.413 1
1 1068 . 9 1 1 A 96 96 ASP CB C 96 41.058 40.145 0.913 1
1 1069 . 9 1 1 A 96 96 ASP N N 96 120.068 119.227 0.841 1
1 1070 . 9 1 1 A 97 97 ALA HA H 97 3.964 4.055 -0.091 1
1 1074 . 9 1 1 A 97 97 ALA C C 97 179.912 179.543 0.369 1
1 1075 . 9 1 1 A 97 97 ALA CA C 97 55.582 55.281 0.301 1
1 1076 . 9 1 1 A 97 97 ALA CB C 97 18.849 18.385 0.464 1
1 1077 . 9 1 1 A 98 98 MET H H 98 7.422 7.904 -0.482 1
1 1078 . 9 1 1 A 98 98 MET HA H 98 3.847 3.765 0.082 1
1 1083 . 9 1 1 A 98 98 MET C C 98 177.185 177.978 -0.793 1
1 1084 . 9 1 1 A 98 98 MET CA C 98 59.943 58.536 1.407 1
1 1085 . 9 1 1 A 98 98 MET CB C 98 32.583 31.895 0.688 1
1 1087 . 9 1 1 A 98 98 MET N N 98 120.651 118.638 2.013 1
1 1088 . 9 1 1 A 99 99 PHE H H 99 8.652 8.568 0.084 1
1 1089 . 9 1 1 A 99 99 PHE HA H 99 4.150 3.894 0.256 1
1 1097 . 9 1 1 A 99 99 PHE C C 99 177.911 177.764 0.147 1
1 1098 . 9 1 1 A 99 99 PHE CA C 99 61.936 61.291 0.645 1
1 1099 . 9 1 1 A 99 99 PHE CB C 99 39.302 38.863 0.439 1
1 1105 . 9 1 1 A 99 99 PHE N N 99 119.857 120.241 -0.384 1
1 1106 . 9 1 1 A 100 100 GLU H H 100 8.232 7.943 0.289 1
1 1107 . 9 1 1 A 100 100 GLU HA H 100 4.094 3.820 0.274 1
1 1112 . 9 1 1 A 100 100 GLU CA C 100 59.579 59.660 -0.081 1
1 1113 . 9 1 1 A 100 100 GLU CB C 100 29.878 28.942 0.936 1
1 1115 . 9 1 1 A 100 100 GLU N N 100 117.666 117.895 -0.229 1
1 1116 . 9 1 1 A 101 101 ASP HA H 101 4.568 4.432 0.136 1
1 1119 . 9 1 1 A 101 101 ASP C C 101 177.667 178.656 -0.989 1
1 1120 . 9 1 1 A 101 101 ASP CA C 101 58.940 57.715 1.225 1
1 1121 . 9 1 1 A 101 101 ASP CB C 101 43.462 41.394 2.068 1
1 1122 . 9 1 1 A 102 102 ILE H H 102 8.370 7.998 0.372 1
1 1123 . 9 1 1 A 102 102 ILE HA H 102 3.319 3.761 -0.442 1
1 1133 . 9 1 1 A 102 102 ILE C C 102 177.347 178.470 -1.123 1
1 1134 . 9 1 1 A 102 102 ILE CA C 102 67.567 65.461 2.106 1
1 1135 . 9 1 1 A 102 102 ILE CB C 102 38.766 37.482 1.284 1
1 1139 . 9 1 1 A 102 102 ILE N N 102 118.449 119.232 -0.783 1
1 1140 . 9 1 1 A 103 103 ARG H H 103 8.450 8.193 0.257 1
1 1141 . 9 1 1 A 103 103 ARG HA H 103 3.834 4.221 -0.387 1
1 1148 . 9 1 1 A 103 103 ARG C C 103 178.760 178.324 0.436 1
1 1149 . 9 1 1 A 103 103 ARG CA C 103 61.318 58.540 2.778 1
1 1150 . 9 1 1 A 103 103 ARG CB C 103 30.978 29.357 1.621 1
1 1153 . 9 1 1 A 103 103 ARG N N 103 118.941 120.710 -1.769 1
1 1154 . 9 1 1 A 104 104 ALA H H 104 8.289 7.560 0.729 1
1 1155 . 9 1 1 A 104 104 ALA HA H 104 4.072 4.131 -0.059 1
1 1159 . 9 1 1 A 104 104 ALA C C 104 181.340 179.628 1.712 1
1 1160 . 9 1 1 A 104 104 ALA CA C 104 56.021 55.045 0.976 1
1 1161 . 9 1 1 A 104 104 ALA CB C 104 18.962 18.243 0.719 1
1 1162 . 9 1 1 A 104 104 ALA N N 104 121.028 121.975 -0.947 1
1 1163 . 9 1 1 A 105 105 LYS H H 105 8.231 7.965 0.266 1
1 1164 . 9 1 1 A 105 105 LYS HA H 105 4.013 4.008 0.005 1
1 1173 . 9 1 1 A 105 105 LYS C C 105 179.414 179.026 0.388 1
1 1174 . 9 1 1 A 105 105 LYS CA C 105 60.025 59.340 0.685 1
1 1175 . 9 1 1 A 105 105 LYS CB C 105 34.341 32.179 2.162 1
1 1179 . 9 1 1 A 105 105 LYS N N 105 118.789 118.566 0.223 1
1 1180 . 9 1 1 A 106 106 LEU H H 106 8.289 8.430 -0.141 1
1 1181 . 9 1 1 A 106 106 LEU HA H 106 4.043 3.997 0.046 1
1 1191 . 9 1 1 A 106 106 LEU C C 106 178.091 179.225 -1.134 1
1 1192 . 9 1 1 A 106 106 LEU CA C 106 57.469 57.891 -0.422 1
1 1193 . 9 1 1 A 106 106 LEU CB C 106 43.248 41.665 1.583 1
1 1197 . 9 1 1 A 106 106 LEU N N 106 119.086 119.907 -0.821 1
1 1198 . 9 1 1 A 107 107 HIS H H 107 7.861 8.123 -0.262 1
1 1199 . 9 1 1 A 107 107 HIS HA H 107 4.428 4.214 0.214 1
1 1203 . 9 1 1 A 107 107 HIS C C 107 175.263 174.892 0.371 1
1 1204 . 9 1 1 A 107 107 HIS CA C 107 58.218 58.998 -0.780 1
1 1205 . 9 1 1 A 107 107 HIS CB C 107 30.819 30.000 0.819 1
1 1207 . 9 1 1 A 107 107 HIS N N 107 118.172 117.588 0.584 1
1 1208 . 9 1 1 A 108 108 ALA H H 108 7.505 7.896 -0.391 1
1 1209 . 9 1 1 A 108 108 ALA HA H 108 4.218 3.860 0.358 1
1 1213 . 9 1 1 A 108 108 ALA C C 108 179.374 175.699 3.675 1
1 1214 . 9 1 1 A 108 108 ALA CA C 108 53.303 53.982 -0.679 1
1 1215 . 9 1 1 A 108 108 ALA CB C 108 20.005 17.984 2.021 1
1 1216 . 9 1 1 A 108 108 ALA N N 108 121.363 120.678 0.685 1
1 1217 . 9 1 1 A 109 109 HIS H H 109 7.987 7.731 0.256 1
1 1218 . 9 1 1 A 109 109 HIS HA H 109 4.770 4.896 -0.126 1
1 1221 . 9 1 1 A 109 109 HIS CA C 109 55.217 53.479 1.738 1
1 1222 . 9 1 1 A 109 109 HIS CB C 109 31.250 33.252 -2.002 1
1 1223 . 9 1 1 A 109 109 HIS N N 109 120.133 116.212 3.921 1
1 1224 . 9 1 1 A 110 110 PRO HA H 110 4.368 4.247 0.121 1
1 1231 . 9 1 1 A 110 110 PRO C C 110 177.350 177.280 0.070 1
1 1232 . 9 1 1 A 110 110 PRO CA C 110 64.430 64.044 0.386 1
1 1233 . 9 1 1 A 110 110 PRO CB C 110 32.912 32.081 0.831 1
1 1236 . 9 1 1 A 111 111 GLY H H 111 8.492 8.146 0.346 1
1 1237 . 9 1 1 A 111 111 GLY HA2 H 111 3.925 3.900 0.025 1
1 1238 . 9 1 1 A 111 111 GLY HA3 H 111 3.925 3.932 -0.007 1
1 1239 . 9 1 1 A 111 111 GLY C C 111 173.681 174.297 -0.616 1
1 1240 . 9 1 1 A 111 111 GLY CA C 111 45.831 45.249 0.582 1
1 1241 . 9 1 1 A 111 111 GLY N N 111 109.622 107.888 1.734 1
1 1242 . 9 1 1 A 112 112 GLU H H 112 8.139 7.903 0.236 1
1 1243 . 9 1 1 A 112 112 GLU HA H 112 4.573 4.643 -0.070 1
1 1248 . 9 1 1 A 112 112 GLU CA C 112 55.099 53.369 1.730 1
1 1249 . 9 1 1 A 112 112 GLU CB C 112 30.664 29.996 0.668 1
1 1251 . 9 1 1 A 112 112 GLU N N 112 121.771 121.551 0.220 1
1 1252 . 9 1 1 A 113 113 PRO HA H 113 4.411 4.552 -0.141 1
1 1259 . 9 1 1 A 113 113 PRO C C 113 176.943 176.618 0.325 1
1 1260 . 9 1 1 A 113 113 PRO CA C 113 63.990 62.724 1.266 1
1 1261 . 9 1 1 A 113 113 PRO CB C 113 32.817 31.601 1.216 1
1 1264 . 9 1 1 A 114 114 VAL H H 114 8.226 8.473 -0.247 1
1 1265 . 9 1 1 A 114 114 VAL HA H 114 4.036 4.069 -0.033 1
1 1273 . 9 1 1 A 114 114 VAL C C 114 175.708 176.872 -1.164 1
1 1274 . 9 1 1 A 114 114 VAL CA C 114 63.021 62.383 0.638 1
1 1275 . 9 1 1 A 114 114 VAL CB C 114 33.996 32.459 1.537 1
1 1278 . 9 1 1 A 114 114 VAL N N 114 120.138 122.740 -2.602 1
1 1279 . 9 1 1 A 115 115 ASP H H 115 8.313 9.106 -0.793 1
1 1280 . 9 1 1 A 115 115 ASP HA H 115 4.587 4.302 0.285 1
1 1283 . 9 1 1 A 115 115 ASP C C 115 176.361 177.825 -1.464 1
1 1284 . 9 1 1 A 115 115 ASP CA C 115 54.760 56.717 -1.957 1
1 1285 . 9 1 1 A 115 115 ASP CB C 115 41.888 39.885 2.003 1
1 1286 . 9 1 1 A 115 115 ASP N N 115 123.840 127.014 -3.174 1
1 1287 . 9 1 1 A 116 116 LEU H H 116 8.202 7.904 0.298 1
1 1288 . 9 1 1 A 116 116 LEU HA H 116 4.168 4.177 -0.009 1
1 1298 . 9 1 1 A 116 116 LEU C C 116 177.811 177.391 0.420 1
1 1299 . 9 1 1 A 116 116 LEU CA C 116 56.696 56.935 -0.239 1
1 1300 . 9 1 1 A 116 116 LEU CB C 116 43.084 41.189 1.895 1
1 1304 . 9 1 1 A 116 116 LEU N N 116 123.362 117.910 5.452 1
1 1305 . 9 1 1 A 117 117 GLU H H 117 8.311 7.957 0.354 1
1 1306 . 9 1 1 A 117 117 GLU HA H 117 4.141 4.641 -0.500 1
1 1311 . 9 1 1 A 117 117 GLU C C 117 176.687 178.366 -1.679 1
1 1312 . 9 1 1 A 117 117 GLU CA C 117 57.937 57.657 0.280 1
1 1313 . 9 1 1 A 117 117 GLU CB C 117 30.685 32.149 -1.464 1
1 1315 . 9 1 1 A 117 117 GLU N N 117 119.881 118.782 1.099 1
1 1316 . 9 1 1 A 118 118 ARG H H 118 7.930 7.797 0.133 1
1 1317 . 9 1 1 A 118 118 ARG HA H 118 4.223 4.165 0.058 1
1 1324 . 9 1 1 A 118 118 ARG C C 118 176.125 178.756 -2.631 1
1 1325 . 9 1 1 A 118 118 ARG CA C 118 57.133 58.325 -1.192 1
1 1326 . 9 1 1 A 118 118 ARG CB C 118 31.445 29.637 1.808 1
1 1329 . 9 1 1 A 118 118 ARG N N 118 120.580 120.044 0.536 1
1 1330 . 9 1 1 A 119 119 ILE H H 119 7.926 7.583 0.343 1
1 1331 . 9 1 1 A 119 119 ILE HA H 119 4.041 3.998 0.043 1
1 1341 . 9 1 1 A 119 119 ILE C C 119 176.166 176.563 -0.397 1
1 1342 . 9 1 1 A 119 119 ILE CA C 119 62.131 64.222 -2.091 1
1 1343 . 9 1 1 A 119 119 ILE CB C 119 39.327 38.278 1.049 1
1 1347 . 9 1 1 A 119 119 ILE N N 119 121.721 118.819 2.902 1
1 1348 . 9 1 1 A 120 120 ILE H H 120 8.152 7.738 0.414 1
1 1349 . 9 1 1 A 120 120 ILE HA H 120 4.038 4.307 -0.269 1
1 1359 . 9 1 1 A 120 120 ILE C C 120 175.922 175.419 0.503 1
1 1360 . 9 1 1 A 120 120 ILE CA C 120 61.812 61.426 0.386 1
1 1361 . 9 1 1 A 120 120 ILE CB C 120 39.091 36.034 3.057 1
1 1365 . 9 1 1 A 120 120 ILE N N 120 125.274 121.476 3.798 1
1 1366 . 9 1 1 A 121 121 ARG H H 121 8.266 8.673 -0.407 1
1 1367 . 9 1 1 A 121 121 ARG HA H 121 4.293 4.522 -0.229 1
1 1374 . 9 1 1 A 121 121 ARG CA C 121 56.489 56.594 -0.105 1
1 1375 . 9 1 1 A 121 121 ARG CB C 121 31.785 33.304 -1.519 1
1 1378 . 9 1 1 A 121 121 ARG N N 121 125.412 126.881 -1.469 1
1 1379 . 9 1 1 A 122 122 HIS HA H 122 5.066 5.092 -0.026 1
1 1383 . 9 1 1 A 122 122 HIS C C 122 175.210 173.913 1.297 1
1 1384 . 9 1 1 A 122 122 HIS CA C 122 56.554 54.614 1.940 1
1 1385 . 9 1 1 A 122 122 HIS CB C 122 32.905 34.054 -1.149 1
1 1387 . 9 1 1 A 123 123 GLU H H 123 8.936 9.077 -0.141 1
1 1388 . 9 1 1 A 123 123 GLU N N 123 121.008 120.976 0.032 1
1 1389 . 9 1 1 A 124 124 GLY HA2 H 124 3.984 4.159 -0.175 1
1 1390 . 9 1 1 A 124 124 GLY HA3 H 124 3.913 4.160 -0.247 1
1 1391 . 9 1 1 A 124 124 GLY C C 124 173.408 174.233 -0.825 1
1 1392 . 9 1 1 A 124 124 GLY CA C 124 46.124 46.071 0.053 1
1 10 . 10 1 1 A 2 2 GLY H H 2 8.402 8.259 0.143 1
1 11 . 10 1 1 A 2 2 GLY HA2 H 2 3.903 3.756 0.147 1
1 12 . 10 1 1 A 2 2 GLY HA3 H 2 3.903 3.760 0.143 1
1 13 . 10 1 1 A 2 2 GLY C C 2 172.919 174.217 -1.298 1
1 14 . 10 1 1 A 2 2 GLY CA C 2 45.814 46.069 -0.255 1
1 15 . 10 1 1 A 2 2 GLY N N 2 110.769 110.155 0.614 1
1 16 . 10 1 1 A 3 3 HIS H H 3 8.198 8.264 -0.066 1
1 17 . 10 1 1 A 3 3 HIS N N 3 120.514 123.631 -3.117 1
1 18 . 10 1 1 A 4 4 MET HA H 4 4.688 5.020 -0.332 1
1 26 . 10 1 1 A 4 4 MET CA C 4 56.462 53.917 2.545 1
1 27 . 10 1 1 A 4 4 MET CB C 4 35.293 35.554 -0.261 1
1 30 . 10 1 1 A 5 5 PHE H H 5 8.690 8.943 -0.253 1
1 31 . 10 1 1 A 5 5 PHE HA H 5 5.254 5.206 0.048 1
1 39 . 10 1 1 A 5 5 PHE C C 5 173.490 173.892 -0.402 1
1 40 . 10 1 1 A 5 5 PHE CA C 5 58.548 56.334 2.214 1
1 41 . 10 1 1 A 5 5 PHE CB C 5 43.312 42.407 0.905 1
1 47 . 10 1 1 A 5 5 PHE N N 5 123.462 127.599 -4.137 1
1 48 . 10 1 1 A 6 6 GLU H H 6 7.963 8.276 -0.313 1
1 49 . 10 1 1 A 6 6 GLU HA H 6 4.182 4.605 -0.423 1
1 54 . 10 1 1 A 6 6 GLU CA C 6 53.572 53.707 -0.135 1
1 55 . 10 1 1 A 6 6 GLU CB C 6 31.259 32.695 -1.436 1
1 57 . 10 1 1 A 6 6 GLU N N 6 127.826 123.608 4.218 1
1 58 . 10 1 1 A 7 7 PRO HA H 7 3.783 4.228 -0.445 1
1 65 . 10 1 1 A 7 7 PRO C C 7 177.433 177.247 0.186 1
1 66 . 10 1 1 A 7 7 PRO CA C 7 66.503 63.633 2.870 1
1 67 . 10 1 1 A 7 7 PRO CB C 7 31.785 31.238 0.547 1
1 70 . 10 1 1 A 8 8 GLY H H 8 7.537 8.386 -0.849 1
1 71 . 10 1 1 A 8 8 GLY HA2 H 8 3.896 3.053 0.843 1
1 72 . 10 1 1 A 8 8 GLY HA3 H 8 2.085 3.608 -1.523 1
1 73 . 10 1 1 A 8 8 GLY C C 8 174.730 172.728 2.002 1
1 74 . 10 1 1 A 8 8 GLY CA C 8 46.895 44.555 2.340 1
1 75 . 10 1 1 A 8 8 GLY N N 8 111.178 112.330 -1.152 1
1 76 . 10 1 1 A 9 9 HIS H H 9 9.112 7.285 1.827 1
1 77 . 10 1 1 A 9 9 HIS HA H 9 5.699 4.982 0.717 1
1 81 . 10 1 1 A 9 9 HIS C C 9 170.886 172.925 -2.039 1
1 82 . 10 1 1 A 9 9 HIS CA C 9 55.252 55.974 -0.722 1
1 83 . 10 1 1 A 9 9 HIS CB C 9 32.029 32.773 -0.744 1
1 85 . 10 1 1 A 9 9 HIS N N 9 122.719 118.533 4.186 1
1 86 . 10 1 1 A 10 10 LEU H H 10 9.637 8.687 0.950 1
1 87 . 10 1 1 A 10 10 LEU HA H 10 5.198 4.904 0.294 1
1 97 . 10 1 1 A 10 10 LEU C C 10 173.565 173.642 -0.077 1
1 98 . 10 1 1 A 10 10 LEU CA C 10 54.377 53.972 0.405 1
1 99 . 10 1 1 A 10 10 LEU CB C 10 46.916 46.503 0.413 1
1 103 . 10 1 1 A 10 10 LEU N N 10 130.516 125.644 4.872 1
1 104 . 10 1 1 A 11 11 HIS H H 11 9.237 8.853 0.384 1
1 105 . 10 1 1 A 11 11 HIS HA H 11 5.478 5.520 -0.042 1
1 109 . 10 1 1 A 11 11 HIS C C 11 173.559 173.560 -0.001 1
1 110 . 10 1 1 A 11 11 HIS CA C 11 53.302 54.171 -0.869 1
1 111 . 10 1 1 A 11 11 HIS CB C 11 34.638 33.156 1.482 1
1 113 . 10 1 1 A 11 11 HIS N N 11 128.715 125.619 3.096 1
1 114 . 10 1 1 A 12 12 LEU H H 12 9.370 8.769 0.601 1
1 115 . 10 1 1 A 12 12 LEU HA H 12 4.863 5.095 -0.232 1
1 125 . 10 1 1 A 12 12 LEU CA C 12 54.243 53.367 0.876 1
1 126 . 10 1 1 A 12 12 LEU CB C 12 45.047 44.797 0.250 1
1 130 . 10 1 1 A 12 12 LEU N N 12 127.423 123.827 3.596 1
1 131 . 10 1 1 A 13 13 VAL HA H 13 4.847 5.241 -0.394 1
1 139 . 10 1 1 A 13 13 VAL CA C 13 60.665 59.684 0.981 1
1 140 . 10 1 1 A 13 13 VAL CB C 13 35.978 34.299 1.679 1
1 143 . 10 1 1 A 14 14 SER H H 14 8.220 8.739 -0.519 1
1 144 . 10 1 1 A 14 14 SER HA H 14 4.563 4.732 -0.169 1
1 147 . 10 1 1 A 14 14 SER CA C 14 58.588 57.160 1.428 1
1 148 . 10 1 1 A 14 14 SER CB C 14 65.442 63.497 1.945 1
1 149 . 10 1 1 A 14 14 SER N N 14 118.092 117.868 0.224 1
1 150 . 10 1 1 A 15 15 LEU H H 15 8.965 8.223 0.742 1
1 151 . 10 1 1 A 15 15 LEU HA H 15 4.725 4.567 0.158 1
1 161 . 10 1 1 A 15 15 LEU CA C 15 53.203 53.108 0.095 1
1 162 . 10 1 1 A 15 15 LEU CB C 15 42.658 41.687 0.971 1
1 166 . 10 1 1 A 15 15 LEU N N 15 124.969 126.192 -1.223 1
1 167 . 10 1 1 A 16 16 PRO HA H 16 4.326 4.382 -0.056 1
1 174 . 10 1 1 A 16 16 PRO C C 16 177.551 177.222 0.329 1
1 175 . 10 1 1 A 16 16 PRO CA C 16 64.262 62.994 1.268 1
1 176 . 10 1 1 A 16 16 PRO CB C 16 32.855 30.240 2.615 1
1 179 . 10 1 1 A 17 17 GLY H H 17 8.597 8.010 0.587 1
1 180 . 10 1 1 A 17 17 GLY HA2 H 17 4.091 3.967 0.124 1
1 181 . 10 1 1 A 17 17 GLY HA3 H 17 3.773 3.969 -0.196 1
1 182 . 10 1 1 A 17 17 GLY C C 17 173.908 174.221 -0.313 1
1 183 . 10 1 1 A 17 17 GLY CA C 17 46.155 45.410 0.745 1
1 184 . 10 1 1 A 17 17 GLY N N 17 110.651 112.269 -1.618 1
1 185 . 10 1 1 A 18 18 LEU H H 18 7.998 7.554 0.444 1
1 186 . 10 1 1 A 18 18 LEU HA H 18 4.318 4.193 0.125 1
1 192 . 10 1 1 A 18 18 LEU CA C 18 56.800 53.507 3.293 1
1 193 . 10 1 1 A 18 18 LEU CB C 18 43.502 42.061 1.441 1
1 195 . 10 1 1 A 18 18 LEU N N 18 122.006 122.450 -0.444 1
1 196 . 10 1 1 A 19 19 ASP HA H 19 4.330 4.519 -0.189 1
1 199 . 10 1 1 A 19 19 ASP CA C 19 56.800 56.619 0.181 1
1 200 . 10 1 1 A 19 19 ASP CB C 19 43.498 39.818 3.680 1
1 201 . 10 1 1 A 20 20 GLN HA H 20 4.248 5.087 -0.839 1
1 208 . 10 1 1 A 20 20 GLN CA C 20 56.991 54.747 2.244 1
1 209 . 10 1 1 A 20 20 GLN CB C 20 31.005 30.217 0.788 1
1 212 . 10 1 1 A 21 21 GLN H H 21 7.823 8.625 -0.802 1
1 213 . 10 1 1 A 21 21 GLN HA H 21 4.478 5.007 -0.529 1
1 220 . 10 1 1 A 21 21 GLN C C 21 174.199 173.316 0.883 1
1 221 . 10 1 1 A 21 21 GLN CA C 21 56.424 54.473 1.951 1
1 222 . 10 1 1 A 21 21 GLN CB C 21 33.930 32.483 1.447 1
1 224 . 10 1 1 A 21 21 GLN N N 21 118.190 121.961 -3.771 1
1 226 . 10 1 1 A 22 22 ASP H H 22 8.549 8.672 -0.123 1
1 227 . 10 1 1 A 22 22 ASP HA H 22 4.708 4.694 0.014 1
1 230 . 10 1 1 A 22 22 ASP C C 22 175.399 174.952 0.447 1
1 231 . 10 1 1 A 22 22 ASP CA C 22 54.415 53.017 1.398 1
1 232 . 10 1 1 A 22 22 ASP CB C 22 42.744 39.011 3.733 1
1 233 . 10 1 1 A 22 22 ASP N N 22 122.563 122.598 -0.035 1
1 234 . 10 1 1 A 23 23 ILE H H 23 8.681 7.673 1.008 1
1 235 . 10 1 1 A 23 23 ILE HA H 23 4.726 4.624 0.102 1
1 245 . 10 1 1 A 23 23 ILE C C 23 174.896 175.104 -0.208 1
1 246 . 10 1 1 A 23 23 ILE CA C 23 60.384 60.260 0.124 1
1 247 . 10 1 1 A 23 23 ILE CB C 23 42.843 38.741 4.102 1
1 251 . 10 1 1 A 23 23 ILE N N 23 121.642 118.675 2.967 1
1 252 . 10 1 1 A 24 24 ASN H H 24 8.224 9.046 -0.822 1
1 253 . 10 1 1 A 24 24 ASN HA H 24 5.252 5.762 -0.510 1
1 258 . 10 1 1 A 24 24 ASN C C 24 174.672 173.991 0.681 1
1 259 . 10 1 1 A 24 24 ASN CA C 24 54.262 52.000 2.262 1
1 260 . 10 1 1 A 24 24 ASN CB C 24 40.495 42.159 -1.664 1
1 261 . 10 1 1 A 24 24 ASN N N 24 124.418 123.169 1.249 1
1 263 . 10 1 1 A 25 25 ILE H H 25 9.453 9.070 0.383 1
1 264 . 10 1 1 A 25 25 ILE HA H 25 4.896 4.980 -0.084 1
1 274 . 10 1 1 A 25 25 ILE C C 25 173.645 174.922 -1.277 1
1 275 . 10 1 1 A 25 25 ILE CA C 25 61.580 60.258 1.322 1
1 276 . 10 1 1 A 25 25 ILE CB C 25 44.146 42.508 1.638 1
1 280 . 10 1 1 A 25 25 ILE N N 25 122.056 123.991 -1.935 1
1 281 . 10 1 1 A 26 26 HIS H H 26 9.716 8.956 0.760 1
1 282 . 10 1 1 A 26 26 HIS HA H 26 5.404 5.500 -0.096 1
1 286 . 10 1 1 A 26 26 HIS C C 26 175.078 174.833 0.245 1
1 287 . 10 1 1 A 26 26 HIS CA C 26 55.881 54.717 1.164 1
1 288 . 10 1 1 A 26 26 HIS CB C 26 32.829 32.144 0.685 1
1 290 . 10 1 1 A 26 26 HIS N N 26 126.720 125.096 1.624 1
1 291 . 10 1 1 A 27 27 ILE H H 27 9.935 9.453 0.482 1
1 292 . 10 1 1 A 27 27 ILE HA H 27 5.096 4.882 0.214 1
1 302 . 10 1 1 A 27 27 ILE C C 27 174.860 175.208 -0.348 1
1 303 . 10 1 1 A 27 27 ILE CA C 27 61.915 60.955 0.960 1
1 304 . 10 1 1 A 27 27 ILE CB C 27 40.667 40.234 0.433 1
1 308 . 10 1 1 A 27 27 ILE N N 27 123.352 122.996 0.356 1
1 309 . 10 1 1 A 28 28 ARG H H 28 9.315 9.270 0.045 1
1 310 . 10 1 1 A 28 28 ARG HA H 28 5.621 5.109 0.512 1
1 317 . 10 1 1 A 28 28 ARG C C 28 175.573 175.365 0.208 1
1 318 . 10 1 1 A 28 28 ARG CA C 28 54.904 55.207 -0.303 1
1 319 . 10 1 1 A 28 28 ARG CB C 28 33.782 32.965 0.817 1
1 322 . 10 1 1 A 28 28 ARG N N 28 127.731 127.585 0.146 1
1 323 . 10 1 1 A 29 29 TYR H H 29 7.656 8.694 -1.038 1
1 324 . 10 1 1 A 29 29 TYR HA H 29 5.831 5.606 0.225 1
1 331 . 10 1 1 A 29 29 TYR C C 29 173.770 174.676 -0.906 1
1 332 . 10 1 1 A 29 29 TYR CA C 29 55.377 55.741 -0.364 1
1 333 . 10 1 1 A 29 29 TYR CB C 29 43.035 41.472 1.563 1
1 338 . 10 1 1 A 29 29 TYR N N 29 117.229 119.526 -2.297 1
1 339 . 10 1 1 A 30 30 GLU H H 30 8.323 8.665 -0.342 1
1 340 . 10 1 1 A 30 30 GLU HA H 30 4.381 4.732 -0.351 1
1 345 . 10 1 1 A 30 30 GLU C C 30 173.976 175.198 -1.222 1
1 346 . 10 1 1 A 30 30 GLU CA C 30 55.235 55.245 -0.010 1
1 347 . 10 1 1 A 30 30 GLU CB C 30 34.494 31.837 2.657 1
1 349 . 10 1 1 A 30 30 GLU N N 30 117.003 124.826 -7.823 1
1 350 . 10 1 1 A 31 31 VAL H H 31 8.957 8.464 0.493 1
1 351 . 10 1 1 A 31 31 VAL HA H 31 4.262 4.168 0.094 1
1 359 . 10 1 1 A 31 31 VAL C C 31 175.045 175.527 -0.482 1
1 360 . 10 1 1 A 31 31 VAL CA C 31 63.418 62.072 1.346 1
1 361 . 10 1 1 A 31 31 VAL CB C 31 32.211 31.617 0.594 1
1 364 . 10 1 1 A 31 31 VAL N N 31 125.299 125.356 -0.057 1
1 365 . 10 1 1 A 32 32 ARG H H 32 8.550 8.112 0.438 1
1 366 . 10 1 1 A 32 32 ARG HA H 32 4.408 4.715 -0.307 1
1 373 . 10 1 1 A 32 32 ARG C C 32 173.222 173.997 -0.775 1
1 374 . 10 1 1 A 32 32 ARG CA C 32 55.048 54.279 0.769 1
1 375 . 10 1 1 A 32 32 ARG CB C 32 34.646 34.284 0.362 1
1 378 . 10 1 1 A 32 32 ARG N N 32 128.345 127.034 1.311 1
1 379 . 10 1 1 A 33 33 GLN H H 33 8.148 8.549 -0.401 1
1 380 . 10 1 1 A 33 33 GLN HA H 33 4.697 5.171 -0.474 1
1 387 . 10 1 1 A 33 33 GLN C C 33 175.419 175.419 0.000 1
1 388 . 10 1 1 A 33 33 GLN CA C 33 55.943 54.692 1.251 1
1 389 . 10 1 1 A 33 33 GLN CB C 33 31.679 30.500 1.179 1
1 391 . 10 1 1 A 33 33 GLN N N 33 116.088 122.684 -6.596 1
1 393 . 10 1 1 A 34 34 ASN H H 34 8.323 8.830 -0.507 1
1 394 . 10 1 1 A 34 34 ASN HA H 34 4.825 5.204 -0.379 1
1 399 . 10 1 1 A 34 34 ASN CA C 34 53.468 52.303 1.165 1
1 400 . 10 1 1 A 34 34 ASN CB C 34 41.559 39.895 1.664 1
1 401 . 10 1 1 A 34 34 ASN N N 34 121.088 123.860 -2.772 1
1 403 . 10 1 1 A 35 35 ALA HA H 35 4.099 4.041 0.058 1
1 407 . 10 1 1 A 35 35 ALA C C 35 178.472 179.270 -0.798 1
1 408 . 10 1 1 A 35 35 ALA CA C 35 55.591 54.526 1.065 1
1 409 . 10 1 1 A 35 35 ALA CB C 35 19.600 18.452 1.148 1
1 410 . 10 1 1 A 36 36 GLU H H 36 8.362 8.014 0.348 1
1 411 . 10 1 1 A 36 36 GLU HA H 36 4.263 4.094 0.169 1
1 416 . 10 1 1 A 36 36 GLU C C 36 177.727 178.001 -0.274 1
1 417 . 10 1 1 A 36 36 GLU CA C 36 59.010 58.935 0.075 1
1 418 . 10 1 1 A 36 36 GLU CB C 36 31.059 29.968 1.091 1
1 420 . 10 1 1 A 36 36 GLU N N 36 116.669 119.500 -2.831 1
1 421 . 10 1 1 A 37 37 SER H H 37 8.338 8.044 0.294 1
1 422 . 10 1 1 A 37 37 SER HA H 37 4.515 4.640 -0.125 1
1 425 . 10 1 1 A 37 37 SER C C 37 175.134 174.565 0.569 1
1 426 . 10 1 1 A 37 37 SER CA C 37 59.568 58.224 1.344 1
1 427 . 10 1 1 A 37 37 SER CB C 37 65.114 64.013 1.101 1
1 428 . 10 1 1 A 37 37 SER N N 37 111.971 112.822 -0.851 1
1 429 . 10 1 1 A 38 38 GLY H H 38 8.098 7.826 0.272 1
1 430 . 10 1 1 A 38 38 GLY HA2 H 38 4.294 3.989 0.305 1
1 431 . 10 1 1 A 38 38 GLY HA3 H 38 3.975 3.991 -0.016 1
1 432 . 10 1 1 A 38 38 GLY C C 38 173.759 173.876 -0.117 1
1 433 . 10 1 1 A 38 38 GLY CA C 38 45.904 46.366 -0.462 1
1 434 . 10 1 1 A 38 38 GLY N N 38 111.508 110.015 1.493 1
1 435 . 10 1 1 A 39 39 ALA H H 39 8.450 8.110 0.340 1
1 436 . 10 1 1 A 39 39 ALA HA H 39 4.902 4.720 0.182 1
1 440 . 10 1 1 A 39 39 ALA C C 39 177.193 177.272 -0.079 1
1 441 . 10 1 1 A 39 39 ALA CA C 39 52.880 51.744 1.136 1
1 442 . 10 1 1 A 39 39 ALA CB C 39 20.714 19.904 0.810 1
1 443 . 10 1 1 A 39 39 ALA N N 39 124.210 126.581 -2.371 1
1 444 . 10 1 1 A 40 40 TYR H H 40 8.854 8.499 0.355 1
1 445 . 10 1 1 A 40 40 TYR HA H 40 4.796 5.295 -0.499 1
1 452 . 10 1 1 A 40 40 TYR C C 40 171.595 172.530 -0.935 1
1 453 . 10 1 1 A 40 40 TYR CA C 40 56.552 55.870 0.682 1
1 454 . 10 1 1 A 40 40 TYR CB C 40 41.319 40.827 0.492 1
1 459 . 10 1 1 A 40 40 TYR N N 40 118.580 117.013 1.567 1
1 460 . 10 1 1 A 41 41 VAL H H 41 9.275 8.230 1.045 1
1 461 . 10 1 1 A 41 41 VAL HA H 41 4.430 4.292 0.138 1
1 469 . 10 1 1 A 41 41 VAL C C 41 174.098 173.886 0.212 1
1 470 . 10 1 1 A 41 41 VAL CA C 41 61.566 60.626 0.940 1
1 471 . 10 1 1 A 41 41 VAL CB C 41 33.852 34.377 -0.525 1
1 474 . 10 1 1 A 41 41 VAL N N 41 118.445 119.049 -0.604 1
1 475 . 10 1 1 A 42 42 HIS H H 42 8.789 8.650 0.139 1
1 476 . 10 1 1 A 42 42 HIS HA H 42 4.814 4.716 0.098 1
1 480 . 10 1 1 A 42 42 HIS C C 42 172.353 173.080 -0.727 1
1 481 . 10 1 1 A 42 42 HIS CA C 42 56.537 55.584 0.953 1
1 482 . 10 1 1 A 42 42 HIS CB C 42 31.587 30.773 0.814 1
1 484 . 10 1 1 A 42 42 HIS N N 42 125.741 126.912 -1.171 1
1 485 . 10 1 1 A 43 43 PHE H H 43 8.604 8.661 -0.057 1
1 486 . 10 1 1 A 43 43 PHE HA H 43 4.933 4.879 0.054 1
1 494 . 10 1 1 A 43 43 PHE C C 43 174.119 173.634 0.485 1
1 495 . 10 1 1 A 43 43 PHE CA C 43 56.591 56.469 0.122 1
1 496 . 10 1 1 A 43 43 PHE CB C 43 41.053 40.411 0.642 1
1 502 . 10 1 1 A 43 43 PHE N N 43 125.631 126.022 -0.391 1
1 503 . 10 1 1 A 44 44 ASP H H 44 9.322 8.848 0.474 1
1 504 . 10 1 1 A 44 44 ASP HA H 44 5.187 5.340 -0.153 1
1 507 . 10 1 1 A 44 44 ASP C C 44 175.076 174.972 0.104 1
1 508 . 10 1 1 A 44 44 ASP CA C 44 55.145 52.714 2.431 1
1 509 . 10 1 1 A 44 44 ASP CB C 44 45.197 43.553 1.644 1
1 510 . 10 1 1 A 44 44 ASP N N 44 121.184 123.753 -2.569 1
1 511 . 10 1 1 A 45 45 MET H H 45 9.110 9.188 -0.078 1
1 512 . 10 1 1 A 45 45 MET HA H 45 5.765 6.015 -0.250 1
1 520 . 10 1 1 A 45 45 MET C C 45 173.254 174.392 -1.138 1
1 521 . 10 1 1 A 45 45 MET CA C 45 54.810 53.802 1.008 1
1 522 . 10 1 1 A 45 45 MET CB C 45 38.632 37.034 1.598 1
1 525 . 10 1 1 A 45 45 MET N N 45 121.976 124.910 -2.934 1
1 526 . 10 1 1 A 46 46 ASP H H 46 8.763 8.494 0.269 1
1 527 . 10 1 1 A 46 46 ASP HA H 46 4.373 4.487 -0.114 1
1 530 . 10 1 1 A 46 46 ASP C C 46 173.396 173.869 -0.473 1
1 531 . 10 1 1 A 46 46 ASP CA C 46 53.810 52.551 1.259 1
1 532 . 10 1 1 A 46 46 ASP CB C 46 44.722 43.938 0.784 1
1 533 . 10 1 1 A 46 46 ASP N N 46 121.797 120.591 1.206 1
1 534 . 10 1 1 A 47 47 GLY H H 47 7.154 7.341 -0.187 1
1 535 . 10 1 1 A 47 47 GLY HA2 H 47 5.075 3.842 1.233 1
1 536 . 10 1 1 A 47 47 GLY HA3 H 47 3.927 3.873 0.054 1
1 537 . 10 1 1 A 47 47 GLY C C 47 172.328 171.798 0.530 1
1 538 . 10 1 1 A 47 47 GLY CA C 47 45.820 45.313 0.507 1
1 539 . 10 1 1 A 47 47 GLY N N 47 105.470 105.275 0.195 1
1 540 . 10 1 1 A 48 48 GLU H H 48 9.100 8.552 0.548 1
1 541 . 10 1 1 A 48 48 GLU HA H 48 5.257 5.826 -0.569 1
1 546 . 10 1 1 A 48 48 GLU C C 48 175.019 174.505 0.514 1
1 547 . 10 1 1 A 48 48 GLU CA C 48 56.247 55.205 1.042 1
1 548 . 10 1 1 A 48 48 GLU CB C 48 35.076 31.955 3.121 1
1 550 . 10 1 1 A 48 48 GLU N N 48 119.799 118.558 1.241 1
1 551 . 10 1 1 A 49 49 ILE H H 49 7.945 8.492 -0.547 1
1 552 . 10 1 1 A 49 49 ILE HA H 49 4.540 4.893 -0.353 1
1 562 . 10 1 1 A 49 49 ILE C C 49 176.382 176.318 0.064 1
1 563 . 10 1 1 A 49 49 ILE CA C 49 61.321 59.971 1.350 1
1 564 . 10 1 1 A 49 49 ILE CB C 49 41.847 38.760 3.087 1
1 568 . 10 1 1 A 49 49 ILE N N 49 120.718 126.520 -5.802 1
1 569 . 10 1 1 A 50 50 ASP H H 50 10.048 9.533 0.515 1
1 570 . 10 1 1 A 50 50 ASP HA H 50 4.522 4.320 0.202 1
1 573 . 10 1 1 A 50 50 ASP C C 50 176.193 175.451 0.742 1
1 574 . 10 1 1 A 50 50 ASP CA C 50 56.872 55.134 1.738 1
1 575 . 10 1 1 A 50 50 ASP CB C 50 40.754 39.858 0.896 1
1 576 . 10 1 1 A 50 50 ASP N N 50 130.256 127.905 2.351 1
1 577 . 10 1 1 A 51 51 GLY H H 51 9.048 8.294 0.754 1
1 578 . 10 1 1 A 51 51 GLY HA2 H 51 4.126 3.914 0.212 1
1 579 . 10 1 1 A 51 51 GLY HA3 H 51 3.660 3.925 -0.265 1
1 580 . 10 1 1 A 51 51 GLY C C 51 173.935 173.953 -0.018 1
1 581 . 10 1 1 A 51 51 GLY CA C 51 46.194 45.442 0.752 1
1 582 . 10 1 1 A 51 51 GLY N N 51 103.446 104.491 -1.045 1
1 583 . 10 1 1 A 52 52 LYS H H 52 7.905 7.642 0.263 1
1 584 . 10 1 1 A 52 52 LYS HA H 52 5.014 4.516 0.498 1
1 593 . 10 1 1 A 52 52 LYS CA C 52 53.809 53.000 0.809 1
1 594 . 10 1 1 A 52 52 LYS CB C 52 33.788 32.618 1.170 1
1 598 . 10 1 1 A 52 52 LYS N N 52 122.692 121.171 1.521 1
1 599 . 10 1 1 A 53 53 PRO HA H 53 5.523 5.263 0.260 1
1 606 . 10 1 1 A 53 53 PRO C C 53 176.300 176.961 -0.661 1
1 607 . 10 1 1 A 53 53 PRO CA C 53 62.896 62.909 -0.013 1
1 608 . 10 1 1 A 53 53 PRO CB C 53 33.920 32.317 1.603 1
1 611 . 10 1 1 A 54 54 PHE H H 54 8.643 8.730 -0.087 1
1 612 . 10 1 1 A 54 54 PHE HA H 54 4.907 5.317 -0.410 1
1 620 . 10 1 1 A 54 54 PHE C C 54 172.840 172.577 0.263 1
1 621 . 10 1 1 A 54 54 PHE CA C 54 57.173 55.801 1.372 1
1 622 . 10 1 1 A 54 54 PHE CB C 54 43.620 42.511 1.109 1
1 628 . 10 1 1 A 54 54 PHE N N 54 117.436 119.273 -1.837 1
1 629 . 10 1 1 A 55 55 SER H H 55 8.009 8.771 -0.762 1
1 630 . 10 1 1 A 55 55 SER HA H 55 4.822 4.998 -0.176 1
1 633 . 10 1 1 A 55 55 SER C C 55 172.856 172.327 0.529 1
1 634 . 10 1 1 A 55 55 SER CA C 55 58.238 56.807 1.431 1
1 635 . 10 1 1 A 55 55 SER CB C 55 66.163 65.243 0.920 1
1 636 . 10 1 1 A 55 55 SER N N 55 113.907 114.974 -1.067 1
1 637 . 10 1 1 A 56 56 ASP H H 56 9.593 9.067 0.526 1
1 638 . 10 1 1 A 56 56 ASP HA H 56 4.985 5.704 -0.719 1
1 641 . 10 1 1 A 56 56 ASP C C 56 175.049 174.465 0.584 1
1 642 . 10 1 1 A 56 56 ASP CA C 56 54.043 52.957 1.086 1
1 643 . 10 1 1 A 56 56 ASP CB C 56 46.425 45.025 1.400 1
1 644 . 10 1 1 A 56 56 ASP N N 56 125.145 127.879 -2.734 1
1 645 . 10 1 1 A 57 57 SER H H 57 10.207 8.835 1.372 1
1 646 . 10 1 1 A 57 57 SER HA H 57 5.383 5.513 -0.130 1
1 649 . 10 1 1 A 57 57 SER C C 57 172.452 173.870 -1.418 1
1 650 . 10 1 1 A 57 57 SER CA C 57 59.008 57.029 1.979 1
1 651 . 10 1 1 A 57 57 SER CB C 57 67.802 65.839 1.963 1
1 652 . 10 1 1 A 57 57 SER N N 57 115.172 118.241 -3.069 1
1 653 . 10 1 1 A 58 58 PHE H H 58 8.623 8.654 -0.031 1
1 654 . 10 1 1 A 58 58 PHE HA H 58 4.904 5.573 -0.669 1
1 662 . 10 1 1 A 58 58 PHE C C 58 172.447 173.219 -0.772 1
1 663 . 10 1 1 A 58 58 PHE CA C 58 57.781 55.477 2.304 1
1 664 . 10 1 1 A 58 58 PHE CB C 58 40.736 43.109 -2.373 1
1 670 . 10 1 1 A 58 58 PHE N N 58 115.065 118.322 -3.257 1
1 671 . 10 1 1 A 59 59 GLU H H 59 8.721 8.988 -0.267 1
1 672 . 10 1 1 A 59 59 GLU HA H 59 5.595 5.273 0.322 1
1 677 . 10 1 1 A 59 59 GLU C C 59 175.836 175.406 0.430 1
1 678 . 10 1 1 A 59 59 GLU CA C 59 55.290 55.223 0.067 1
1 679 . 10 1 1 A 59 59 GLU CB C 59 34.345 32.923 1.422 1
1 681 . 10 1 1 A 59 59 GLU N N 59 118.122 119.221 -1.099 1
1 682 . 10 1 1 A 60 60 LEU H H 60 9.016 8.950 0.066 1
1 683 . 10 1 1 A 60 60 LEU HA H 60 5.221 5.002 0.219 1
1 693 . 10 1 1 A 60 60 LEU CA C 60 52.275 51.155 1.120 1
1 694 . 10 1 1 A 60 60 LEU CB C 60 46.774 45.971 0.803 1
1 698 . 10 1 1 A 60 60 LEU N N 60 121.299 125.151 -3.852 1
1 699 . 10 1 1 A 61 61 PRO HA H 61 4.614 4.654 -0.040 1
1 706 . 10 1 1 A 61 61 PRO C C 61 176.316 177.837 -1.521 1
1 707 . 10 1 1 A 61 61 PRO CA C 61 62.719 62.878 -0.159 1
1 708 . 10 1 1 A 61 61 PRO CB C 61 33.758 32.639 1.119 1
1 711 . 10 1 1 A 62 62 ARG H H 62 8.017 8.485 -0.468 1
1 712 . 10 1 1 A 62 62 ARG HA H 62 3.738 3.923 -0.185 1
1 719 . 10 1 1 A 62 62 ARG C C 62 176.976 178.252 -1.276 1
1 720 . 10 1 1 A 62 62 ARG CA C 62 60.653 59.180 1.473 1
1 721 . 10 1 1 A 62 62 ARG CB C 62 31.549 29.715 1.834 1
1 724 . 10 1 1 A 62 62 ARG N N 62 118.159 122.847 -4.688 1
1 725 . 10 1 1 A 63 63 ASP H H 63 8.665 7.789 0.876 1
1 726 . 10 1 1 A 63 63 ASP HA H 63 4.484 4.572 -0.088 1
1 729 . 10 1 1 A 63 63 ASP C C 63 177.483 176.960 0.523 1
1 730 . 10 1 1 A 63 63 ASP CA C 63 57.335 56.309 1.026 1
1 731 . 10 1 1 A 63 63 ASP CB C 63 41.410 41.089 0.321 1
1 732 . 10 1 1 A 63 63 ASP N N 63 113.726 120.243 -6.517 1
1 733 . 10 1 1 A 64 64 THR H H 64 7.553 7.891 -0.338 1
1 734 . 10 1 1 A 64 64 THR HA H 64 4.562 4.776 -0.214 1
1 739 . 10 1 1 A 64 64 THR C C 64 175.654 175.429 0.225 1
1 740 . 10 1 1 A 64 64 THR CA C 64 61.499 61.008 0.491 1
1 741 . 10 1 1 A 64 64 THR CB C 64 69.606 70.076 -0.470 1
1 743 . 10 1 1 A 64 64 THR N N 64 107.855 105.616 2.239 1
1 744 . 10 1 1 A 65 65 ALA H H 65 7.406 7.707 -0.301 1
1 745 . 10 1 1 A 65 65 ALA HA H 65 4.012 4.206 -0.194 1
1 749 . 10 1 1 A 65 65 ALA C C 65 176.820 179.527 -2.707 1
1 750 . 10 1 1 A 65 65 ALA CA C 65 55.939 55.030 0.909 1
1 751 . 10 1 1 A 65 65 ALA CB C 65 19.454 17.994 1.460 1
1 752 . 10 1 1 A 65 65 ALA N N 65 123.777 126.024 -2.247 1
1 753 . 10 1 1 A 66 66 PHE H H 66 7.583 7.599 -0.016 1
1 754 . 10 1 1 A 66 66 PHE HA H 66 4.381 4.931 -0.550 1
1 762 . 10 1 1 A 66 66 PHE C C 66 176.104 177.306 -1.202 1
1 763 . 10 1 1 A 66 66 PHE CA C 66 58.836 60.405 -1.569 1
1 764 . 10 1 1 A 66 66 PHE CB C 66 37.740 37.940 -0.200 1
1 770 . 10 1 1 A 66 66 PHE N N 66 110.346 115.124 -4.778 1
1 771 . 10 1 1 A 67 67 ASN H H 67 7.984 8.284 -0.300 1
1 772 . 10 1 1 A 67 67 ASN HA H 67 4.848 4.877 -0.029 1
1 777 . 10 1 1 A 67 67 ASN C C 67 175.700 176.418 -0.718 1
1 778 . 10 1 1 A 67 67 ASN CA C 67 53.469 53.227 0.242 1
1 779 . 10 1 1 A 67 67 ASN CB C 67 38.836 39.107 -0.271 1
1 780 . 10 1 1 A 67 67 ASN N N 67 120.591 118.607 1.984 1
1 782 . 10 1 1 A 68 68 PHE H H 68 7.218 8.098 -0.880 1
1 783 . 10 1 1 A 68 68 PHE HA H 68 4.054 4.149 -0.095 1
1 790 . 10 1 1 A 68 68 PHE C C 68 174.796 176.921 -2.125 1
1 791 . 10 1 1 A 68 68 PHE CA C 68 60.849 60.785 0.064 1
1 792 . 10 1 1 A 68 68 PHE CB C 68 40.263 37.161 3.102 1
1 797 . 10 1 1 A 68 68 PHE N N 68 115.915 118.686 -2.771 1
1 798 . 10 1 1 A 69 69 ALA H H 69 7.780 7.110 0.670 1
1 799 . 10 1 1 A 69 69 ALA HA H 69 3.484 3.659 -0.175 1
1 803 . 10 1 1 A 69 69 ALA C C 69 180.022 179.434 0.588 1
1 804 . 10 1 1 A 69 69 ALA CA C 69 56.283 54.639 1.644 1
1 805 . 10 1 1 A 69 69 ALA CB C 69 18.935 17.588 1.347 1
1 806 . 10 1 1 A 69 69 ALA N N 69 124.604 123.011 1.593 1
1 807 . 10 1 1 A 70 70 SER H H 70 7.852 7.789 0.063 1
1 808 . 10 1 1 A 70 70 SER HA H 70 4.061 4.047 0.014 1
1 811 . 10 1 1 A 70 70 SER C C 70 177.054 175.823 1.231 1
1 812 . 10 1 1 A 70 70 SER CA C 70 62.085 61.738 0.347 1
1 813 . 10 1 1 A 70 70 SER CB C 70 62.976 63.057 -0.081 1
1 814 . 10 1 1 A 70 70 SER N N 70 114.973 114.165 0.808 1
1 815 . 10 1 1 A 71 71 ASP H H 71 7.602 8.160 -0.558 1
1 816 . 10 1 1 A 71 71 ASP HA H 71 4.012 4.132 -0.120 1
1 819 . 10 1 1 A 71 71 ASP C C 71 177.086 177.670 -0.584 1
1 820 . 10 1 1 A 71 71 ASP CA C 71 58.501 56.847 1.654 1
1 821 . 10 1 1 A 71 71 ASP CB C 71 42.006 40.819 1.187 1
1 822 . 10 1 1 A 71 71 ASP N N 71 123.211 122.169 1.042 1
1 823 . 10 1 1 A 72 72 ALA H H 72 8.406 8.154 0.252 1
1 824 . 10 1 1 A 72 72 ALA HA H 72 3.671 4.130 -0.459 1
1 828 . 10 1 1 A 72 72 ALA C C 72 179.377 179.490 -0.113 1
1 829 . 10 1 1 A 72 72 ALA CA C 72 55.717 55.354 0.363 1
1 830 . 10 1 1 A 72 72 ALA CB C 72 18.658 18.863 -0.205 1
1 831 . 10 1 1 A 72 72 ALA N N 72 119.793 121.068 -1.275 1
1 832 . 10 1 1 A 73 73 THR H H 73 7.631 7.450 0.181 1
1 833 . 10 1 1 A 73 73 THR HA H 73 3.562 4.007 -0.445 1
1 838 . 10 1 1 A 73 73 THR C C 73 175.072 176.239 -1.167 1
1 839 . 10 1 1 A 73 73 THR CA C 73 68.525 65.529 2.996 1
1 840 . 10 1 1 A 73 73 THR CB C 73 69.564 68.428 1.136 1
1 842 . 10 1 1 A 73 73 THR N N 73 114.702 114.242 0.460 1
1 843 . 10 1 1 A 74 74 ARG H H 74 7.629 7.855 -0.226 1
1 844 . 10 1 1 A 74 74 ARG HA H 74 3.795 3.980 -0.185 1
1 851 . 10 1 1 A 74 74 ARG C C 74 176.832 178.774 -1.942 1
1 852 . 10 1 1 A 74 74 ARG CA C 74 60.580 58.573 2.007 1
1 853 . 10 1 1 A 74 74 ARG CB C 74 30.409 29.811 0.598 1
1 856 . 10 1 1 A 74 74 ARG N N 74 122.528 121.553 0.975 1
1 857 . 10 1 1 A 75 75 VAL H H 75 8.008 7.976 0.032 1
1 858 . 10 1 1 A 75 75 VAL HA H 75 3.439 3.689 -0.250 1
1 866 . 10 1 1 A 75 75 VAL C C 75 177.802 177.814 -0.012 1
1 867 . 10 1 1 A 75 75 VAL CA C 75 67.492 66.294 1.198 1
1 868 . 10 1 1 A 75 75 VAL CB C 75 32.220 31.262 0.958 1
1 871 . 10 1 1 A 75 75 VAL N N 75 120.044 119.501 0.543 1
1 872 . 10 1 1 A 76 76 ALA H H 76 8.092 8.064 0.028 1
1 873 . 10 1 1 A 76 76 ALA HA H 76 3.537 3.906 -0.369 1
1 877 . 10 1 1 A 76 76 ALA C C 76 180.078 179.454 0.624 1
1 878 . 10 1 1 A 76 76 ALA CA C 76 56.194 55.775 0.419 1
1 879 . 10 1 1 A 76 76 ALA CB C 76 18.882 18.108 0.774 1
1 880 . 10 1 1 A 76 76 ALA N N 76 120.726 122.110 -1.384 1
1 881 . 10 1 1 A 77 77 GLN H H 77 8.432 8.120 0.312 1
1 882 . 10 1 1 A 77 77 GLN HA H 77 4.428 4.034 0.394 1
1 885 . 10 1 1 A 77 77 GLN CA C 77 58.987 58.531 0.456 1
1 887 . 10 1 1 A 77 77 GLN N N 77 118.235 116.291 1.944 1
1 888 . 10 1 1 A 78 78 LYS H H 78 7.655 7.804 -0.149 1
1 889 . 10 1 1 A 78 78 LYS HA H 78 3.874 4.104 -0.230 1
1 898 . 10 1 1 A 78 78 LYS C C 78 177.044 178.179 -1.135 1
1 899 . 10 1 1 A 78 78 LYS CA C 78 59.393 59.080 0.313 1
1 900 . 10 1 1 A 78 78 LYS CB C 78 32.583 32.078 0.505 1
1 904 . 10 1 1 A 78 78 LYS N N 78 121.797 120.274 1.523 1
1 905 . 10 1 1 A 79 79 HIS H H 79 6.888 7.286 -0.398 1
1 906 . 10 1 1 A 79 79 HIS HA H 79 4.501 4.468 0.033 1
1 909 . 10 1 1 A 79 79 HIS C C 79 174.191 175.066 -0.875 1
1 910 . 10 1 1 A 79 79 HIS CA C 79 56.166 56.040 0.126 1
1 911 . 10 1 1 A 79 79 HIS CB C 79 30.993 29.692 1.301 1
1 912 . 10 1 1 A 79 79 HIS N N 79 115.368 115.041 0.327 1
1 913 . 10 1 1 A 80 80 GLY H H 80 7.159 7.546 -0.387 1
1 914 . 10 1 1 A 80 80 GLY HA2 H 80 4.433 3.934 0.499 1
1 915 . 10 1 1 A 80 80 GLY HA3 H 80 3.541 3.934 -0.393 1
1 916 . 10 1 1 A 80 80 GLY C C 80 175.246 174.716 0.530 1
1 917 . 10 1 1 A 80 80 GLY CA C 80 45.823 45.136 0.687 1
1 918 . 10 1 1 A 80 80 GLY N N 80 104.319 105.554 -1.235 1
1 919 . 10 1 1 A 81 81 LEU H H 81 7.962 7.531 0.431 1
1 920 . 10 1 1 A 81 81 LEU HA H 81 4.012 4.523 -0.511 1
1 930 . 10 1 1 A 81 81 LEU CA C 81 56.383 53.942 2.441 1
1 931 . 10 1 1 A 81 81 LEU CB C 81 43.506 40.031 3.475 1
1 935 . 10 1 1 A 81 81 LEU N N 81 124.945 123.211 1.734 1
1 936 . 10 1 1 A 83 83 PRO HA H 83 4.248 4.379 -0.131 1
1 943 . 10 1 1 A 83 83 PRO CA C 83 65.606 62.892 2.714 1
1 944 . 10 1 1 A 83 83 PRO CB C 83 32.805 31.418 1.387 1
1 947 . 10 1 1 A 84 84 LYS HA H 84 4.132 4.107 0.025 1
1 956 . 10 1 1 A 84 84 LYS CA C 84 59.351 59.522 -0.171 1
1 957 . 10 1 1 A 84 84 LYS CB C 84 33.109 32.256 0.853 1
1 961 . 10 1 1 A 85 85 PHE HA H 85 3.941 4.456 -0.515 1
1 964 . 10 1 1 A 85 85 PHE CA C 85 59.693 58.158 1.535 1
1 965 . 10 1 1 A 85 85 PHE CB C 85 39.968 39.886 0.082 1
1 966 . 10 1 1 A 86 86 GLY HA2 H 86 3.721 3.736 -0.015 1
1 967 . 10 1 1 A 86 86 GLY HA3 H 86 3.659 3.813 -0.154 1
1 968 . 10 1 1 A 86 86 GLY CA C 86 44.471 45.323 -0.852 1
1 969 . 10 1 1 A 87 87 ALA HA H 87 4.274 4.293 -0.019 1
1 973 . 10 1 1 A 87 87 ALA CA C 87 53.390 51.373 2.017 1
1 974 . 10 1 1 A 87 87 ALA CB C 87 20.262 20.614 -0.352 1
1 975 . 10 1 1 A 88 88 ILE HA H 88 4.015 4.734 -0.719 1
1 985 . 10 1 1 A 88 88 ILE CA C 88 63.697 58.831 4.866 1
1 986 . 10 1 1 A 88 88 ILE CB C 88 38.931 40.551 -1.620 1
1 990 . 10 1 1 A 89 89 THR HA H 89 4.224 4.123 0.101 1
1 994 . 10 1 1 A 89 89 THR CA C 89 63.088 65.683 -2.595 1
1 996 . 10 1 1 A 90 90 ARG HA H 90 4.105 4.111 -0.006 1
1 1003 . 10 1 1 A 90 90 ARG CA C 90 58.412 58.988 -0.576 1
1 1004 . 10 1 1 A 90 90 ARG CB C 90 30.907 29.762 1.145 1
1 1007 . 10 1 1 A 91 91 VAL HA H 91 4.047 4.016 0.031 1
1 1015 . 10 1 1 A 91 91 VAL C C 91 175.627 175.978 -0.351 1
1 1016 . 10 1 1 A 91 91 VAL CA C 91 62.923 62.067 0.856 1
1 1017 . 10 1 1 A 91 91 VAL CB C 91 32.060 30.885 1.175 1
1 1020 . 10 1 1 A 92 92 HIS HA H 92 4.567 4.865 -0.298 1
1 1023 . 10 1 1 A 92 92 HIS CA C 92 57.021 54.576 2.445 1
1 1024 . 10 1 1 A 92 92 HIS CB C 92 31.579 33.929 -2.350 1
1 1025 . 10 1 1 A 93 93 LYS H H 93 8.490 8.927 -0.437 1
1 1026 . 10 1 1 A 93 93 LYS HA H 93 4.149 4.575 -0.426 1
1 1035 . 10 1 1 A 93 93 LYS CA C 93 58.472 56.204 2.268 1
1 1036 . 10 1 1 A 93 93 LYS CB C 93 32.632 32.506 0.126 1
1 1040 . 10 1 1 A 93 93 LYS N N 93 123.001 122.366 0.635 1
1 1041 . 10 1 1 A 94 94 GLU HA H 94 4.265 4.069 0.196 1
1 1046 . 10 1 1 A 94 94 GLU CA C 94 57.682 59.047 -1.365 1
1 1047 . 10 1 1 A 94 94 GLU CB C 94 30.952 29.436 1.516 1
1 1049 . 10 1 1 A 95 95 TYR HA H 95 4.205 4.241 -0.036 1
1 1056 . 10 1 1 A 95 95 TYR C C 95 176.555 177.525 -0.970 1
1 1057 . 10 1 1 A 95 95 TYR CA C 95 60.582 60.638 -0.056 1
1 1058 . 10 1 1 A 95 95 TYR CB C 95 39.000 38.378 0.622 1
1 1063 . 10 1 1 A 96 96 ASP H H 96 8.104 8.478 -0.374 1
1 1064 . 10 1 1 A 96 96 ASP HA H 96 4.252 4.265 -0.013 1
1 1067 . 10 1 1 A 96 96 ASP CA C 96 58.583 57.864 0.719 1
1 1068 . 10 1 1 A 96 96 ASP CB C 96 41.058 42.056 -0.998 1
1 1069 . 10 1 1 A 96 96 ASP N N 96 120.068 119.507 0.561 1
1 1070 . 10 1 1 A 97 97 ALA HA H 97 3.964 4.126 -0.162 1
1 1074 . 10 1 1 A 97 97 ALA C C 97 179.912 180.754 -0.842 1
1 1075 . 10 1 1 A 97 97 ALA CA C 97 55.582 55.312 0.270 1
1 1076 . 10 1 1 A 97 97 ALA CB C 97 18.849 18.305 0.544 1
1 1077 . 10 1 1 A 98 98 MET H H 98 7.422 8.171 -0.749 1
1 1078 . 10 1 1 A 98 98 MET HA H 98 3.847 4.289 -0.442 1
1 1083 . 10 1 1 A 98 98 MET C C 98 177.185 178.673 -1.488 1
1 1084 . 10 1 1 A 98 98 MET CA C 98 59.943 58.674 1.269 1
1 1085 . 10 1 1 A 98 98 MET CB C 98 32.583 32.330 0.253 1
1 1087 . 10 1 1 A 98 98 MET N N 98 120.651 117.024 3.627 1
1 1088 . 10 1 1 A 99 99 PHE H H 99 8.652 8.538 0.114 1
1 1089 . 10 1 1 A 99 99 PHE HA H 99 4.150 4.097 0.053 1
1 1097 . 10 1 1 A 99 99 PHE C C 99 177.911 177.879 0.032 1
1 1098 . 10 1 1 A 99 99 PHE CA C 99 61.936 62.055 -0.119 1
1 1099 . 10 1 1 A 99 99 PHE CB C 99 39.302 38.874 0.428 1
1 1105 . 10 1 1 A 99 99 PHE N N 99 119.857 122.140 -2.283 1
1 1106 . 10 1 1 A 100 100 GLU H H 100 8.232 8.194 0.038 1
1 1107 . 10 1 1 A 100 100 GLU HA H 100 4.094 4.180 -0.086 1
1 1112 . 10 1 1 A 100 100 GLU CA C 100 59.579 59.497 0.082 1
1 1113 . 10 1 1 A 100 100 GLU CB C 100 29.878 28.957 0.921 1
1 1115 . 10 1 1 A 100 100 GLU N N 100 117.666 117.894 -0.228 1
1 1116 . 10 1 1 A 101 101 ASP HA H 101 4.568 4.464 0.104 1
1 1119 . 10 1 1 A 101 101 ASP C C 101 177.667 178.561 -0.894 1
1 1120 . 10 1 1 A 101 101 ASP CA C 101 58.940 57.323 1.617 1
1 1121 . 10 1 1 A 101 101 ASP CB C 101 43.462 41.074 2.388 1
1 1122 . 10 1 1 A 102 102 ILE H H 102 8.370 8.211 0.159 1
1 1123 . 10 1 1 A 102 102 ILE HA H 102 3.319 3.667 -0.348 1
1 1133 . 10 1 1 A 102 102 ILE C C 102 177.347 178.105 -0.758 1
1 1134 . 10 1 1 A 102 102 ILE CA C 102 67.567 65.160 2.407 1
1 1135 . 10 1 1 A 102 102 ILE CB C 102 38.766 37.334 1.432 1
1 1139 . 10 1 1 A 102 102 ILE N N 102 118.449 119.534 -1.085 1
1 1140 . 10 1 1 A 103 103 ARG H H 103 8.450 8.477 -0.027 1
1 1141 . 10 1 1 A 103 103 ARG HA H 103 3.834 4.282 -0.448 1
1 1148 . 10 1 1 A 103 103 ARG C C 103 178.760 178.367 0.393 1
1 1149 . 10 1 1 A 103 103 ARG CA C 103 61.318 58.742 2.576 1
1 1150 . 10 1 1 A 103 103 ARG CB C 103 30.978 30.040 0.938 1
1 1153 . 10 1 1 A 103 103 ARG N N 103 118.941 120.561 -1.620 1
1 1154 . 10 1 1 A 104 104 ALA H H 104 8.289 8.095 0.194 1
1 1155 . 10 1 1 A 104 104 ALA HA H 104 4.072 4.146 -0.074 1
1 1159 . 10 1 1 A 104 104 ALA C C 104 181.340 179.725 1.615 1
1 1160 . 10 1 1 A 104 104 ALA CA C 104 56.021 55.067 0.954 1
1 1161 . 10 1 1 A 104 104 ALA CB C 104 18.962 18.375 0.587 1
1 1162 . 10 1 1 A 104 104 ALA N N 104 121.028 122.090 -1.062 1
1 1163 . 10 1 1 A 105 105 LYS H H 105 8.231 7.916 0.315 1
1 1164 . 10 1 1 A 105 105 LYS HA H 105 4.013 4.051 -0.038 1
1 1173 . 10 1 1 A 105 105 LYS C C 105 179.414 178.920 0.494 1
1 1174 . 10 1 1 A 105 105 LYS CA C 105 60.025 59.135 0.890 1
1 1175 . 10 1 1 A 105 105 LYS CB C 105 34.341 31.931 2.410 1
1 1179 . 10 1 1 A 105 105 LYS N N 105 118.789 118.450 0.339 1
1 1180 . 10 1 1 A 106 106 LEU H H 106 8.289 8.412 -0.123 1
1 1181 . 10 1 1 A 106 106 LEU HA H 106 4.043 4.076 -0.033 1
1 1191 . 10 1 1 A 106 106 LEU C C 106 178.091 177.859 0.232 1
1 1192 . 10 1 1 A 106 106 LEU CA C 106 57.469 57.230 0.239 1
1 1193 . 10 1 1 A 106 106 LEU CB C 106 43.248 41.521 1.727 1
1 1197 . 10 1 1 A 106 106 LEU N N 106 119.086 119.230 -0.144 1
1 1198 . 10 1 1 A 107 107 HIS H H 107 7.861 8.025 -0.164 1
1 1199 . 10 1 1 A 107 107 HIS HA H 107 4.428 4.539 -0.111 1
1 1203 . 10 1 1 A 107 107 HIS C C 107 175.263 174.877 0.386 1
1 1204 . 10 1 1 A 107 107 HIS CA C 107 58.218 57.987 0.231 1
1 1205 . 10 1 1 A 107 107 HIS CB C 107 30.819 30.518 0.301 1
1 1207 . 10 1 1 A 107 107 HIS N N 107 118.172 119.107 -0.935 1
1 1208 . 10 1 1 A 108 108 ALA H H 108 7.505 7.794 -0.289 1
1 1209 . 10 1 1 A 108 108 ALA HA H 108 4.218 4.093 0.125 1
1 1213 . 10 1 1 A 108 108 ALA C C 108 179.374 175.810 3.564 1
1 1214 . 10 1 1 A 108 108 ALA CA C 108 53.303 53.728 -0.425 1
1 1215 . 10 1 1 A 108 108 ALA CB C 108 20.005 17.985 2.020 1
1 1216 . 10 1 1 A 108 108 ALA N N 108 121.363 120.738 0.625 1
1 1217 . 10 1 1 A 109 109 HIS H H 109 7.987 7.814 0.173 1
1 1218 . 10 1 1 A 109 109 HIS HA H 109 4.770 5.009 -0.239 1
1 1221 . 10 1 1 A 109 109 HIS CA C 109 55.217 53.325 1.892 1
1 1222 . 10 1 1 A 109 109 HIS CB C 109 31.250 33.164 -1.914 1
1 1223 . 10 1 1 A 109 109 HIS N N 109 120.133 116.678 3.455 1
1 1224 . 10 1 1 A 110 110 PRO HA H 110 4.368 4.497 -0.129 1
1 1231 . 10 1 1 A 110 110 PRO C C 110 177.350 176.063 1.287 1
1 1232 . 10 1 1 A 110 110 PRO CA C 110 64.430 63.051 1.379 1
1 1233 . 10 1 1 A 110 110 PRO CB C 110 32.912 32.591 0.321 1
1 1236 . 10 1 1 A 111 111 GLY H H 111 8.492 8.024 0.468 1
1 1237 . 10 1 1 A 111 111 GLY HA2 H 111 3.925 4.125 -0.200 1
1 1238 . 10 1 1 A 111 111 GLY HA3 H 111 3.925 4.129 -0.204 1
1 1239 . 10 1 1 A 111 111 GLY C C 111 173.681 172.981 0.700 1
1 1240 . 10 1 1 A 111 111 GLY CA C 111 45.831 45.906 -0.075 1
1 1241 . 10 1 1 A 111 111 GLY N N 111 109.622 107.556 2.066 1
1 1242 . 10 1 1 A 112 112 GLU H H 112 8.139 7.950 0.189 1
1 1243 . 10 1 1 A 112 112 GLU HA H 112 4.573 4.590 -0.017 1
1 1248 . 10 1 1 A 112 112 GLU CA C 112 55.099 55.481 -0.382 1
1 1249 . 10 1 1 A 112 112 GLU CB C 112 30.664 29.668 0.996 1
1 1251 . 10 1 1 A 112 112 GLU N N 112 121.771 118.857 2.914 1
1 1252 . 10 1 1 A 113 113 PRO HA H 113 4.411 4.828 -0.417 1
1 1259 . 10 1 1 A 113 113 PRO C C 113 176.943 175.409 1.534 1
1 1260 . 10 1 1 A 113 113 PRO CA C 113 63.990 62.443 1.547 1
1 1261 . 10 1 1 A 113 113 PRO CB C 113 32.817 29.078 3.739 1
1 1264 . 10 1 1 A 114 114 VAL H H 114 8.226 8.234 -0.008 1
1 1265 . 10 1 1 A 114 114 VAL HA H 114 4.036 4.121 -0.085 1
1 1273 . 10 1 1 A 114 114 VAL C C 114 175.708 176.074 -0.366 1
1 1274 . 10 1 1 A 114 114 VAL CA C 114 63.021 61.758 1.263 1
1 1275 . 10 1 1 A 114 114 VAL CB C 114 33.996 30.216 3.780 1
1 1278 . 10 1 1 A 114 114 VAL N N 114 120.138 122.949 -2.811 1
1 1279 . 10 1 1 A 115 115 ASP H H 115 8.313 8.169 0.144 1
1 1280 . 10 1 1 A 115 115 ASP HA H 115 4.587 4.761 -0.174 1
1 1283 . 10 1 1 A 115 115 ASP C C 115 176.361 176.615 -0.254 1
1 1284 . 10 1 1 A 115 115 ASP CA C 115 54.760 53.538 1.222 1
1 1285 . 10 1 1 A 115 115 ASP CB C 115 41.888 40.196 1.692 1
1 1286 . 10 1 1 A 115 115 ASP N N 115 123.840 126.848 -3.008 1
1 1287 . 10 1 1 A 116 116 LEU H H 116 8.202 8.028 0.174 1
1 1288 . 10 1 1 A 116 116 LEU HA H 116 4.168 3.882 0.286 1
1 1298 . 10 1 1 A 116 116 LEU C C 116 177.811 178.842 -1.031 1
1 1299 . 10 1 1 A 116 116 LEU CA C 116 56.696 57.819 -1.123 1
1 1300 . 10 1 1 A 116 116 LEU CB C 116 43.084 41.196 1.888 1
1 1304 . 10 1 1 A 116 116 LEU N N 116 123.362 120.270 3.092 1
1 1305 . 10 1 1 A 117 117 GLU H H 117 8.311 8.263 0.048 1
1 1306 . 10 1 1 A 117 117 GLU HA H 117 4.141 4.105 0.036 1
1 1311 . 10 1 1 A 117 117 GLU C C 117 176.687 178.842 -2.155 1
1 1312 . 10 1 1 A 117 117 GLU CA C 117 57.937 58.906 -0.969 1
1 1313 . 10 1 1 A 117 117 GLU CB C 117 30.685 29.338 1.347 1
1 1315 . 10 1 1 A 117 117 GLU N N 117 119.881 118.865 1.016 1
1 1316 . 10 1 1 A 118 118 ARG H H 118 7.930 7.664 0.266 1
1 1317 . 10 1 1 A 118 118 ARG HA H 118 4.223 4.128 0.095 1
1 1324 . 10 1 1 A 118 118 ARG C C 118 176.125 178.915 -2.790 1
1 1325 . 10 1 1 A 118 118 ARG CA C 118 57.133 58.581 -1.448 1
1 1326 . 10 1 1 A 118 118 ARG CB C 118 31.445 29.830 1.615 1
1 1329 . 10 1 1 A 118 118 ARG N N 118 120.580 119.440 1.140 1
1 1330 . 10 1 1 A 119 119 ILE H H 119 7.926 7.402 0.524 1
1 1331 . 10 1 1 A 119 119 ILE HA H 119 4.041 3.983 0.058 1
1 1341 . 10 1 1 A 119 119 ILE C C 119 176.166 176.636 -0.470 1
1 1342 . 10 1 1 A 119 119 ILE CA C 119 62.131 64.620 -2.489 1
1 1343 . 10 1 1 A 119 119 ILE CB C 119 39.327 38.029 1.298 1
1 1347 . 10 1 1 A 119 119 ILE N N 119 121.721 118.289 3.432 1
1 1348 . 10 1 1 A 120 120 ILE H H 120 8.152 7.511 0.641 1
1 1349 . 10 1 1 A 120 120 ILE HA H 120 4.038 4.359 -0.321 1
1 1359 . 10 1 1 A 120 120 ILE C C 120 175.922 176.009 -0.087 1
1 1360 . 10 1 1 A 120 120 ILE CA C 120 61.812 61.180 0.632 1
1 1361 . 10 1 1 A 120 120 ILE CB C 120 39.091 35.786 3.305 1
1 1365 . 10 1 1 A 120 120 ILE N N 120 125.274 121.430 3.844 1
1 1366 . 10 1 1 A 121 121 ARG H H 121 8.266 8.168 0.098 1
1 1367 . 10 1 1 A 121 121 ARG HA H 121 4.293 4.613 -0.320 1
1 1374 . 10 1 1 A 121 121 ARG CA C 121 56.489 55.947 0.542 1
1 1375 . 10 1 1 A 121 121 ARG CB C 121 31.785 32.334 -0.549 1
1 1378 . 10 1 1 A 121 121 ARG N N 121 125.412 122.181 3.231 1
1 1379 . 10 1 1 A 122 122 HIS HA H 122 5.066 4.479 0.587 1
1 1383 . 10 1 1 A 122 122 HIS C C 122 175.210 174.721 0.489 1
1 1384 . 10 1 1 A 122 122 HIS CA C 122 56.554 56.740 -0.186 1
1 1385 . 10 1 1 A 122 122 HIS CB C 122 32.905 30.308 2.597 1
1 1387 . 10 1 1 A 123 123 GLU H H 123 8.936 8.667 0.269 1
1 1388 . 10 1 1 A 123 123 GLU N N 123 121.008 125.343 -4.335 1
1 1389 . 10 1 1 A 124 124 GLY HA2 H 124 3.984 3.861 0.123 1
1 1390 . 10 1 1 A 124 124 GLY HA3 H 124 3.913 3.870 0.043 1
1 1391 . 10 1 1 A 124 124 GLY C C 124 173.408 173.206 0.202 1
1 1392 . 10 1 1 A 124 124 GLY CA C 124 46.124 47.470 -1.346 1
1 10 . 11 1 1 A 2 2 GLY H H 2 8.402 8.502 -0.100 1
1 11 . 11 1 1 A 2 2 GLY HA2 H 2 3.903 3.964 -0.061 1
1 12 . 11 1 1 A 2 2 GLY HA3 H 2 3.903 4.003 -0.100 1
1 13 . 11 1 1 A 2 2 GLY C C 2 172.919 174.082 -1.163 1
1 14 . 11 1 1 A 2 2 GLY CA C 2 45.814 44.987 0.827 1
1 15 . 11 1 1 A 2 2 GLY N N 2 110.769 109.862 0.907 1
1 16 . 11 1 1 A 3 3 HIS H H 3 8.198 8.372 -0.174 1
1 17 . 11 1 1 A 3 3 HIS N N 3 120.514 117.873 2.641 1
1 18 . 11 1 1 A 4 4 MET HA H 4 4.688 5.186 -0.498 1
1 26 . 11 1 1 A 4 4 MET CA C 4 56.462 53.891 2.571 1
1 27 . 11 1 1 A 4 4 MET CB C 4 35.293 35.842 -0.549 1
1 30 . 11 1 1 A 5 5 PHE H H 5 8.690 9.016 -0.326 1
1 31 . 11 1 1 A 5 5 PHE HA H 5 5.254 5.206 0.048 1
1 39 . 11 1 1 A 5 5 PHE C C 5 173.490 173.478 0.012 1
1 40 . 11 1 1 A 5 5 PHE CA C 5 58.548 57.222 1.326 1
1 41 . 11 1 1 A 5 5 PHE CB C 5 43.312 42.835 0.477 1
1 47 . 11 1 1 A 5 5 PHE N N 5 123.462 127.131 -3.669 1
1 48 . 11 1 1 A 6 6 GLU H H 6 7.963 8.511 -0.548 1
1 49 . 11 1 1 A 6 6 GLU HA H 6 4.182 4.666 -0.484 1
1 54 . 11 1 1 A 6 6 GLU CA C 6 53.572 53.539 0.033 1
1 55 . 11 1 1 A 6 6 GLU CB C 6 31.259 32.901 -1.642 1
1 57 . 11 1 1 A 6 6 GLU N N 6 127.826 124.373 3.453 1
1 58 . 11 1 1 A 7 7 PRO HA H 7 3.783 4.218 -0.435 1
1 65 . 11 1 1 A 7 7 PRO C C 7 177.433 177.328 0.105 1
1 66 . 11 1 1 A 7 7 PRO CA C 7 66.503 63.694 2.809 1
1 67 . 11 1 1 A 7 7 PRO CB C 7 31.785 31.248 0.537 1
1 70 . 11 1 1 A 8 8 GLY H H 8 7.537 8.625 -1.088 1
1 71 . 11 1 1 A 8 8 GLY HA2 H 8 3.896 3.319 0.577 1
1 72 . 11 1 1 A 8 8 GLY HA3 H 8 2.085 3.659 -1.574 1
1 73 . 11 1 1 A 8 8 GLY C C 8 174.730 172.686 2.044 1
1 74 . 11 1 1 A 8 8 GLY CA C 8 46.895 44.688 2.207 1
1 75 . 11 1 1 A 8 8 GLY N N 8 111.178 112.538 -1.360 1
1 76 . 11 1 1 A 9 9 HIS H H 9 9.112 7.362 1.750 1
1 77 . 11 1 1 A 9 9 HIS HA H 9 5.699 4.832 0.867 1
1 81 . 11 1 1 A 9 9 HIS C C 9 170.886 172.605 -1.719 1
1 82 . 11 1 1 A 9 9 HIS CA C 9 55.252 55.427 -0.175 1
1 83 . 11 1 1 A 9 9 HIS CB C 9 32.029 33.441 -1.412 1
1 85 . 11 1 1 A 9 9 HIS N N 9 122.719 119.091 3.628 1
1 86 . 11 1 1 A 10 10 LEU H H 10 9.637 9.301 0.336 1
1 87 . 11 1 1 A 10 10 LEU HA H 10 5.198 5.310 -0.112 1
1 97 . 11 1 1 A 10 10 LEU C C 10 173.565 174.182 -0.617 1
1 98 . 11 1 1 A 10 10 LEU CA C 10 54.377 53.070 1.307 1
1 99 . 11 1 1 A 10 10 LEU CB C 10 46.916 45.842 1.074 1
1 103 . 11 1 1 A 10 10 LEU N N 10 130.516 128.816 1.700 1
1 104 . 11 1 1 A 11 11 HIS H H 11 9.237 8.930 0.307 1
1 105 . 11 1 1 A 11 11 HIS HA H 11 5.478 5.400 0.078 1
1 109 . 11 1 1 A 11 11 HIS C C 11 173.559 173.347 0.212 1
1 110 . 11 1 1 A 11 11 HIS CA C 11 53.302 54.148 -0.846 1
1 111 . 11 1 1 A 11 11 HIS CB C 11 34.638 33.056 1.582 1
1 113 . 11 1 1 A 11 11 HIS N N 11 128.715 125.595 3.120 1
1 114 . 11 1 1 A 12 12 LEU H H 12 9.370 8.608 0.762 1
1 115 . 11 1 1 A 12 12 LEU HA H 12 4.863 4.909 -0.046 1
1 125 . 11 1 1 A 12 12 LEU CA C 12 54.243 53.394 0.849 1
1 126 . 11 1 1 A 12 12 LEU CB C 12 45.047 44.069 0.978 1
1 130 . 11 1 1 A 12 12 LEU N N 12 127.423 123.670 3.753 1
1 131 . 11 1 1 A 13 13 VAL HA H 13 4.847 4.975 -0.128 1
1 139 . 11 1 1 A 13 13 VAL CA C 13 60.665 59.652 1.013 1
1 140 . 11 1 1 A 13 13 VAL CB C 13 35.978 34.230 1.748 1
1 143 . 11 1 1 A 14 14 SER H H 14 8.220 8.828 -0.608 1
1 144 . 11 1 1 A 14 14 SER HA H 14 4.563 4.526 0.037 1
1 147 . 11 1 1 A 14 14 SER CA C 14 58.588 58.018 0.570 1
1 148 . 11 1 1 A 14 14 SER CB C 14 65.442 63.676 1.766 1
1 149 . 11 1 1 A 14 14 SER N N 14 118.092 121.116 -3.024 1
1 150 . 11 1 1 A 15 15 LEU H H 15 8.965 8.601 0.364 1
1 151 . 11 1 1 A 15 15 LEU HA H 15 4.725 4.762 -0.037 1
1 161 . 11 1 1 A 15 15 LEU CA C 15 53.203 52.404 0.799 1
1 162 . 11 1 1 A 15 15 LEU CB C 15 42.658 41.974 0.684 1
1 166 . 11 1 1 A 15 15 LEU N N 15 124.969 125.826 -0.857 1
1 167 . 11 1 1 A 16 16 PRO HA H 16 4.326 4.380 -0.054 1
1 174 . 11 1 1 A 16 16 PRO C C 16 177.551 176.874 0.677 1
1 175 . 11 1 1 A 16 16 PRO CA C 16 64.262 63.686 0.576 1
1 176 . 11 1 1 A 16 16 PRO CB C 16 32.855 31.507 1.348 1
1 179 . 11 1 1 A 17 17 GLY H H 17 8.597 8.086 0.511 1
1 180 . 11 1 1 A 17 17 GLY HA2 H 17 4.091 4.072 0.019 1
1 181 . 11 1 1 A 17 17 GLY HA3 H 17 3.773 4.074 -0.301 1
1 182 . 11 1 1 A 17 17 GLY C C 17 173.908 174.178 -0.270 1
1 183 . 11 1 1 A 17 17 GLY CA C 17 46.155 45.910 0.245 1
1 184 . 11 1 1 A 17 17 GLY N N 17 110.651 110.240 0.411 1
1 185 . 11 1 1 A 18 18 LEU H H 18 7.998 8.016 -0.018 1
1 186 . 11 1 1 A 18 18 LEU HA H 18 4.318 4.212 0.106 1
1 192 . 11 1 1 A 18 18 LEU CA C 18 56.800 56.862 -0.062 1
1 193 . 11 1 1 A 18 18 LEU CB C 18 43.502 43.046 0.456 1
1 195 . 11 1 1 A 18 18 LEU N N 18 122.006 123.561 -1.555 1
1 196 . 11 1 1 A 19 19 ASP HA H 19 4.330 4.846 -0.516 1
1 199 . 11 1 1 A 19 19 ASP CA C 19 56.800 53.495 3.305 1
1 200 . 11 1 1 A 19 19 ASP CB C 19 43.498 43.775 -0.277 1
1 201 . 11 1 1 A 20 20 GLN HA H 20 4.248 4.681 -0.433 1
1 208 . 11 1 1 A 20 20 GLN CA C 20 56.991 55.031 1.960 1
1 209 . 11 1 1 A 20 20 GLN CB C 20 31.005 29.247 1.758 1
1 212 . 11 1 1 A 21 21 GLN H H 21 7.823 7.551 0.272 1
1 213 . 11 1 1 A 21 21 GLN HA H 21 4.478 4.212 0.266 1
1 220 . 11 1 1 A 21 21 GLN C C 21 174.199 175.169 -0.970 1
1 221 . 11 1 1 A 21 21 GLN CA C 21 56.424 55.654 0.770 1
1 222 . 11 1 1 A 21 21 GLN CB C 21 33.930 29.814 4.116 1
1 224 . 11 1 1 A 21 21 GLN N N 21 118.190 121.571 -3.381 1
1 226 . 11 1 1 A 22 22 ASP H H 22 8.549 8.619 -0.070 1
1 227 . 11 1 1 A 22 22 ASP HA H 22 4.708 4.752 -0.044 1
1 230 . 11 1 1 A 22 22 ASP C C 22 175.399 175.076 0.323 1
1 231 . 11 1 1 A 22 22 ASP CA C 22 54.415 52.998 1.417 1
1 232 . 11 1 1 A 22 22 ASP CB C 22 42.744 38.970 3.774 1
1 233 . 11 1 1 A 22 22 ASP N N 22 122.563 124.109 -1.546 1
1 234 . 11 1 1 A 23 23 ILE H H 23 8.681 7.675 1.006 1
1 235 . 11 1 1 A 23 23 ILE HA H 23 4.726 4.566 0.160 1
1 245 . 11 1 1 A 23 23 ILE C C 23 174.896 175.168 -0.272 1
1 246 . 11 1 1 A 23 23 ILE CA C 23 60.384 60.319 0.065 1
1 247 . 11 1 1 A 23 23 ILE CB C 23 42.843 38.692 4.151 1
1 251 . 11 1 1 A 23 23 ILE N N 23 121.642 118.634 3.008 1
1 252 . 11 1 1 A 24 24 ASN H H 24 8.224 8.975 -0.751 1
1 253 . 11 1 1 A 24 24 ASN HA H 24 5.252 5.456 -0.204 1
1 258 . 11 1 1 A 24 24 ASN C C 24 174.672 174.093 0.579 1
1 259 . 11 1 1 A 24 24 ASN CA C 24 54.262 51.999 2.263 1
1 260 . 11 1 1 A 24 24 ASN CB C 24 40.495 41.046 -0.551 1
1 261 . 11 1 1 A 24 24 ASN N N 24 124.418 123.509 0.909 1
1 263 . 11 1 1 A 25 25 ILE H H 25 9.453 8.872 0.581 1
1 264 . 11 1 1 A 25 25 ILE HA H 25 4.896 5.116 -0.220 1
1 274 . 11 1 1 A 25 25 ILE C C 25 173.645 174.660 -1.015 1
1 275 . 11 1 1 A 25 25 ILE CA C 25 61.580 60.432 1.148 1
1 276 . 11 1 1 A 25 25 ILE CB C 25 44.146 41.513 2.633 1
1 280 . 11 1 1 A 25 25 ILE N N 25 122.056 123.939 -1.883 1
1 281 . 11 1 1 A 26 26 HIS H H 26 9.716 9.256 0.460 1
1 282 . 11 1 1 A 26 26 HIS HA H 26 5.404 5.414 -0.010 1
1 286 . 11 1 1 A 26 26 HIS C C 26 175.078 174.528 0.550 1
1 287 . 11 1 1 A 26 26 HIS CA C 26 55.881 54.471 1.410 1
1 288 . 11 1 1 A 26 26 HIS CB C 26 32.829 32.080 0.749 1
1 290 . 11 1 1 A 26 26 HIS N N 26 126.720 125.684 1.036 1
1 291 . 11 1 1 A 27 27 ILE H H 27 9.935 9.377 0.558 1
1 292 . 11 1 1 A 27 27 ILE HA H 27 5.096 4.812 0.284 1
1 302 . 11 1 1 A 27 27 ILE C C 27 174.860 175.133 -0.273 1
1 303 . 11 1 1 A 27 27 ILE CA C 27 61.915 60.649 1.266 1
1 304 . 11 1 1 A 27 27 ILE CB C 27 40.667 40.261 0.406 1
1 308 . 11 1 1 A 27 27 ILE N N 27 123.352 123.756 -0.404 1
1 309 . 11 1 1 A 28 28 ARG H H 28 9.315 9.373 -0.058 1
1 310 . 11 1 1 A 28 28 ARG HA H 28 5.621 5.004 0.617 1
1 317 . 11 1 1 A 28 28 ARG C C 28 175.573 175.209 0.364 1
1 318 . 11 1 1 A 28 28 ARG CA C 28 54.904 55.044 -0.140 1
1 319 . 11 1 1 A 28 28 ARG CB C 28 33.782 33.075 0.707 1
1 322 . 11 1 1 A 28 28 ARG N N 28 127.731 127.413 0.318 1
1 323 . 11 1 1 A 29 29 TYR H H 29 7.656 8.239 -0.583 1
1 324 . 11 1 1 A 29 29 TYR HA H 29 5.831 5.457 0.374 1
1 331 . 11 1 1 A 29 29 TYR C C 29 173.770 174.619 -0.849 1
1 332 . 11 1 1 A 29 29 TYR CA C 29 55.377 55.630 -0.253 1
1 333 . 11 1 1 A 29 29 TYR CB C 29 43.035 41.359 1.676 1
1 338 . 11 1 1 A 29 29 TYR N N 29 117.229 119.499 -2.270 1
1 339 . 11 1 1 A 30 30 GLU H H 30 8.323 8.588 -0.265 1
1 340 . 11 1 1 A 30 30 GLU HA H 30 4.381 4.772 -0.391 1
1 345 . 11 1 1 A 30 30 GLU C C 30 173.976 175.320 -1.344 1
1 346 . 11 1 1 A 30 30 GLU CA C 30 55.235 55.294 -0.059 1
1 347 . 11 1 1 A 30 30 GLU CB C 30 34.494 31.680 2.814 1
1 349 . 11 1 1 A 30 30 GLU N N 30 117.003 124.836 -7.833 1
1 350 . 11 1 1 A 31 31 VAL H H 31 8.957 8.580 0.377 1
1 351 . 11 1 1 A 31 31 VAL HA H 31 4.262 4.204 0.058 1
1 359 . 11 1 1 A 31 31 VAL C C 31 175.045 174.947 0.098 1
1 360 . 11 1 1 A 31 31 VAL CA C 31 63.418 61.987 1.431 1
1 361 . 11 1 1 A 31 31 VAL CB C 31 32.211 31.313 0.898 1
1 364 . 11 1 1 A 31 31 VAL N N 31 125.299 125.708 -0.409 1
1 365 . 11 1 1 A 32 32 ARG H H 32 8.550 8.474 0.076 1
1 366 . 11 1 1 A 32 32 ARG HA H 32 4.408 4.980 -0.572 1
1 373 . 11 1 1 A 32 32 ARG C C 32 173.222 174.381 -1.159 1
1 374 . 11 1 1 A 32 32 ARG CA C 32 55.048 53.475 1.573 1
1 375 . 11 1 1 A 32 32 ARG CB C 32 34.646 33.651 0.995 1
1 378 . 11 1 1 A 32 32 ARG N N 32 128.345 128.717 -0.372 1
1 379 . 11 1 1 A 33 33 GLN H H 33 8.148 8.602 -0.454 1
1 380 . 11 1 1 A 33 33 GLN HA H 33 4.697 5.258 -0.561 1
1 387 . 11 1 1 A 33 33 GLN C C 33 175.419 175.672 -0.253 1
1 388 . 11 1 1 A 33 33 GLN CA C 33 55.943 54.701 1.242 1
1 389 . 11 1 1 A 33 33 GLN CB C 33 31.679 30.470 1.209 1
1 391 . 11 1 1 A 33 33 GLN N N 33 116.088 123.650 -7.562 1
1 393 . 11 1 1 A 34 34 ASN H H 34 8.323 8.784 -0.461 1
1 394 . 11 1 1 A 34 34 ASN HA H 34 4.825 5.156 -0.331 1
1 399 . 11 1 1 A 34 34 ASN CA C 34 53.468 51.703 1.765 1
1 400 . 11 1 1 A 34 34 ASN CB C 34 41.559 39.959 1.600 1
1 401 . 11 1 1 A 34 34 ASN N N 34 121.088 123.260 -2.172 1
1 403 . 11 1 1 A 35 35 ALA HA H 35 4.099 4.003 0.096 1
1 407 . 11 1 1 A 35 35 ALA C C 35 178.472 179.210 -0.738 1
1 408 . 11 1 1 A 35 35 ALA CA C 35 55.591 54.925 0.666 1
1 409 . 11 1 1 A 35 35 ALA CB C 35 19.600 18.147 1.453 1
1 410 . 11 1 1 A 36 36 GLU H H 36 8.362 8.012 0.350 1
1 411 . 11 1 1 A 36 36 GLU HA H 36 4.263 4.102 0.161 1
1 416 . 11 1 1 A 36 36 GLU C C 36 177.727 178.174 -0.447 1
1 417 . 11 1 1 A 36 36 GLU CA C 36 59.010 58.758 0.252 1
1 418 . 11 1 1 A 36 36 GLU CB C 36 31.059 29.925 1.134 1
1 420 . 11 1 1 A 36 36 GLU N N 36 116.669 119.231 -2.562 1
1 421 . 11 1 1 A 37 37 SER H H 37 8.338 7.956 0.382 1
1 422 . 11 1 1 A 37 37 SER HA H 37 4.515 4.615 -0.100 1
1 425 . 11 1 1 A 37 37 SER C C 37 175.134 174.606 0.528 1
1 426 . 11 1 1 A 37 37 SER CA C 37 59.568 58.440 1.128 1
1 427 . 11 1 1 A 37 37 SER CB C 37 65.114 64.130 0.984 1
1 428 . 11 1 1 A 37 37 SER N N 37 111.971 113.300 -1.329 1
1 429 . 11 1 1 A 38 38 GLY H H 38 8.098 7.791 0.307 1
1 430 . 11 1 1 A 38 38 GLY HA2 H 38 4.294 3.973 0.321 1
1 431 . 11 1 1 A 38 38 GLY HA3 H 38 3.975 3.974 0.001 1
1 432 . 11 1 1 A 38 38 GLY C C 38 173.759 173.950 -0.191 1
1 433 . 11 1 1 A 38 38 GLY CA C 38 45.904 46.947 -1.043 1
1 434 . 11 1 1 A 38 38 GLY N N 38 111.508 109.843 1.665 1
1 435 . 11 1 1 A 39 39 ALA H H 39 8.450 8.130 0.320 1
1 436 . 11 1 1 A 39 39 ALA HA H 39 4.902 4.664 0.238 1
1 440 . 11 1 1 A 39 39 ALA C C 39 177.193 177.263 -0.070 1
1 441 . 11 1 1 A 39 39 ALA CA C 39 52.880 51.964 0.916 1
1 442 . 11 1 1 A 39 39 ALA CB C 39 20.714 19.663 1.051 1
1 443 . 11 1 1 A 39 39 ALA N N 39 124.210 126.806 -2.596 1
1 444 . 11 1 1 A 40 40 TYR H H 40 8.854 8.487 0.367 1
1 445 . 11 1 1 A 40 40 TYR HA H 40 4.796 5.442 -0.646 1
1 452 . 11 1 1 A 40 40 TYR C C 40 171.595 172.698 -1.103 1
1 453 . 11 1 1 A 40 40 TYR CA C 40 56.552 55.783 0.769 1
1 454 . 11 1 1 A 40 40 TYR CB C 40 41.319 41.709 -0.390 1
1 459 . 11 1 1 A 40 40 TYR N N 40 118.580 117.014 1.566 1
1 460 . 11 1 1 A 41 41 VAL H H 41 9.275 8.407 0.868 1
1 461 . 11 1 1 A 41 41 VAL HA H 41 4.430 4.398 0.032 1
1 469 . 11 1 1 A 41 41 VAL C C 41 174.098 173.974 0.124 1
1 470 . 11 1 1 A 41 41 VAL CA C 41 61.566 60.623 0.943 1
1 471 . 11 1 1 A 41 41 VAL CB C 41 33.852 34.608 -0.756 1
1 474 . 11 1 1 A 41 41 VAL N N 41 118.445 119.441 -0.996 1
1 475 . 11 1 1 A 42 42 HIS H H 42 8.789 8.772 0.017 1
1 476 . 11 1 1 A 42 42 HIS HA H 42 4.814 4.699 0.115 1
1 480 . 11 1 1 A 42 42 HIS C C 42 172.353 172.860 -0.507 1
1 481 . 11 1 1 A 42 42 HIS CA C 42 56.537 55.217 1.320 1
1 482 . 11 1 1 A 42 42 HIS CB C 42 31.587 30.559 1.028 1
1 484 . 11 1 1 A 42 42 HIS N N 42 125.741 126.556 -0.815 1
1 485 . 11 1 1 A 43 43 PHE H H 43 8.604 8.552 0.052 1
1 486 . 11 1 1 A 43 43 PHE HA H 43 4.933 5.136 -0.203 1
1 494 . 11 1 1 A 43 43 PHE C C 43 174.119 173.698 0.421 1
1 495 . 11 1 1 A 43 43 PHE CA C 43 56.591 56.701 -0.110 1
1 496 . 11 1 1 A 43 43 PHE CB C 43 41.053 39.370 1.683 1
1 502 . 11 1 1 A 43 43 PHE N N 43 125.631 126.625 -0.994 1
1 503 . 11 1 1 A 44 44 ASP H H 44 9.322 8.803 0.519 1
1 504 . 11 1 1 A 44 44 ASP HA H 44 5.187 5.185 0.002 1
1 507 . 11 1 1 A 44 44 ASP C C 44 175.076 174.817 0.259 1
1 508 . 11 1 1 A 44 44 ASP CA C 44 55.145 52.567 2.578 1
1 509 . 11 1 1 A 44 44 ASP CB C 44 45.197 44.077 1.120 1
1 510 . 11 1 1 A 44 44 ASP N N 44 121.184 125.396 -4.212 1
1 511 . 11 1 1 A 45 45 MET H H 45 9.110 9.031 0.079 1
1 512 . 11 1 1 A 45 45 MET HA H 45 5.765 5.903 -0.138 1
1 520 . 11 1 1 A 45 45 MET C C 45 173.254 174.594 -1.340 1
1 521 . 11 1 1 A 45 45 MET CA C 45 54.810 54.108 0.702 1
1 522 . 11 1 1 A 45 45 MET CB C 45 38.632 37.187 1.445 1
1 525 . 11 1 1 A 45 45 MET N N 45 121.976 124.008 -2.032 1
1 526 . 11 1 1 A 46 46 ASP H H 46 8.763 8.686 0.077 1
1 527 . 11 1 1 A 46 46 ASP HA H 46 4.373 4.919 -0.546 1
1 530 . 11 1 1 A 46 46 ASP C C 46 173.396 174.264 -0.868 1
1 531 . 11 1 1 A 46 46 ASP CA C 46 53.810 52.529 1.281 1
1 532 . 11 1 1 A 46 46 ASP CB C 46 44.722 43.572 1.150 1
1 533 . 11 1 1 A 46 46 ASP N N 46 121.797 121.184 0.613 1
1 534 . 11 1 1 A 47 47 GLY H H 47 7.154 7.597 -0.443 1
1 535 . 11 1 1 A 47 47 GLY HA2 H 47 5.075 4.380 0.695 1
1 536 . 11 1 1 A 47 47 GLY HA3 H 47 3.927 4.386 -0.459 1
1 537 . 11 1 1 A 47 47 GLY C C 47 172.328 172.030 0.298 1
1 538 . 11 1 1 A 47 47 GLY CA C 47 45.820 45.298 0.522 1
1 539 . 11 1 1 A 47 47 GLY N N 47 105.470 105.392 0.078 1
1 540 . 11 1 1 A 48 48 GLU H H 48 9.100 9.139 -0.039 1
1 541 . 11 1 1 A 48 48 GLU HA H 48 5.257 5.692 -0.435 1
1 546 . 11 1 1 A 48 48 GLU C C 48 175.019 174.450 0.569 1
1 547 . 11 1 1 A 48 48 GLU CA C 48 56.247 54.781 1.466 1
1 548 . 11 1 1 A 48 48 GLU CB C 48 35.076 34.121 0.955 1
1 550 . 11 1 1 A 48 48 GLU N N 48 119.799 119.334 0.465 1
1 551 . 11 1 1 A 49 49 ILE H H 49 7.945 8.733 -0.788 1
1 552 . 11 1 1 A 49 49 ILE HA H 49 4.540 4.687 -0.147 1
1 562 . 11 1 1 A 49 49 ILE C C 49 176.382 175.944 0.438 1
1 563 . 11 1 1 A 49 49 ILE CA C 49 61.321 60.494 0.827 1
1 564 . 11 1 1 A 49 49 ILE CB C 49 41.847 40.311 1.536 1
1 568 . 11 1 1 A 49 49 ILE N N 49 120.718 121.019 -0.301 1
1 569 . 11 1 1 A 50 50 ASP H H 50 10.048 9.310 0.738 1
1 570 . 11 1 1 A 50 50 ASP HA H 50 4.522 4.288 0.234 1
1 573 . 11 1 1 A 50 50 ASP C C 50 176.193 175.215 0.978 1
1 574 . 11 1 1 A 50 50 ASP CA C 50 56.872 55.089 1.783 1
1 575 . 11 1 1 A 50 50 ASP CB C 50 40.754 39.995 0.759 1
1 576 . 11 1 1 A 50 50 ASP N N 50 130.256 127.848 2.408 1
1 577 . 11 1 1 A 51 51 GLY H H 51 9.048 8.221 0.827 1
1 578 . 11 1 1 A 51 51 GLY HA2 H 51 4.126 3.893 0.233 1
1 579 . 11 1 1 A 51 51 GLY HA3 H 51 3.660 3.900 -0.240 1
1 580 . 11 1 1 A 51 51 GLY C C 51 173.935 173.962 -0.027 1
1 581 . 11 1 1 A 51 51 GLY CA C 51 46.194 45.280 0.914 1
1 582 . 11 1 1 A 51 51 GLY N N 51 103.446 104.827 -1.381 1
1 583 . 11 1 1 A 52 52 LYS H H 52 7.905 7.359 0.546 1
1 584 . 11 1 1 A 52 52 LYS HA H 52 5.014 4.674 0.340 1
1 593 . 11 1 1 A 52 52 LYS CA C 52 53.809 53.232 0.577 1
1 594 . 11 1 1 A 52 52 LYS CB C 52 33.788 32.906 0.882 1
1 598 . 11 1 1 A 52 52 LYS N N 52 122.692 121.221 1.471 1
1 599 . 11 1 1 A 53 53 PRO HA H 53 5.523 5.433 0.090 1
1 606 . 11 1 1 A 53 53 PRO C C 53 176.300 176.588 -0.288 1
1 607 . 11 1 1 A 53 53 PRO CA C 53 62.896 62.649 0.247 1
1 608 . 11 1 1 A 53 53 PRO CB C 53 33.920 32.940 0.980 1
1 611 . 11 1 1 A 54 54 PHE H H 54 8.643 8.589 0.054 1
1 612 . 11 1 1 A 54 54 PHE HA H 54 4.907 5.060 -0.153 1
1 620 . 11 1 1 A 54 54 PHE C C 54 172.840 172.882 -0.042 1
1 621 . 11 1 1 A 54 54 PHE CA C 54 57.173 55.984 1.189 1
1 622 . 11 1 1 A 54 54 PHE CB C 54 43.620 41.615 2.005 1
1 628 . 11 1 1 A 54 54 PHE N N 54 117.436 117.740 -0.304 1
1 629 . 11 1 1 A 55 55 SER H H 55 8.009 8.765 -0.756 1
1 630 . 11 1 1 A 55 55 SER HA H 55 4.822 5.177 -0.355 1
1 633 . 11 1 1 A 55 55 SER C C 55 172.856 172.977 -0.121 1
1 634 . 11 1 1 A 55 55 SER CA C 55 58.238 57.558 0.680 1
1 635 . 11 1 1 A 55 55 SER CB C 55 66.163 65.554 0.609 1
1 636 . 11 1 1 A 55 55 SER N N 55 113.907 115.837 -1.930 1
1 637 . 11 1 1 A 56 56 ASP H H 56 9.593 8.945 0.648 1
1 638 . 11 1 1 A 56 56 ASP HA H 56 4.985 5.525 -0.540 1
1 641 . 11 1 1 A 56 56 ASP C C 56 175.049 175.340 -0.291 1
1 642 . 11 1 1 A 56 56 ASP CA C 56 54.043 53.040 1.003 1
1 643 . 11 1 1 A 56 56 ASP CB C 56 46.425 44.719 1.706 1
1 644 . 11 1 1 A 56 56 ASP N N 56 125.145 126.398 -1.253 1
1 645 . 11 1 1 A 57 57 SER H H 57 10.207 8.829 1.378 1
1 646 . 11 1 1 A 57 57 SER HA H 57 5.383 5.454 -0.071 1
1 649 . 11 1 1 A 57 57 SER C C 57 172.452 172.751 -0.299 1
1 650 . 11 1 1 A 57 57 SER CA C 57 59.008 56.701 2.307 1
1 651 . 11 1 1 A 57 57 SER CB C 57 67.802 65.390 2.412 1
1 652 . 11 1 1 A 57 57 SER N N 57 115.172 118.128 -2.956 1
1 653 . 11 1 1 A 58 58 PHE H H 58 8.623 8.770 -0.147 1
1 654 . 11 1 1 A 58 58 PHE HA H 58 4.904 5.523 -0.619 1
1 662 . 11 1 1 A 58 58 PHE C C 58 172.447 172.735 -0.288 1
1 663 . 11 1 1 A 58 58 PHE CA C 58 57.781 55.522 2.259 1
1 664 . 11 1 1 A 58 58 PHE CB C 58 40.736 42.596 -1.860 1
1 670 . 11 1 1 A 58 58 PHE N N 58 115.065 121.077 -6.012 1
1 671 . 11 1 1 A 59 59 GLU H H 59 8.721 8.940 -0.219 1
1 672 . 11 1 1 A 59 59 GLU HA H 59 5.595 5.519 0.076 1
1 677 . 11 1 1 A 59 59 GLU C C 59 175.836 175.626 0.210 1
1 678 . 11 1 1 A 59 59 GLU CA C 59 55.290 54.903 0.387 1
1 679 . 11 1 1 A 59 59 GLU CB C 59 34.345 33.407 0.938 1
1 681 . 11 1 1 A 59 59 GLU N N 59 118.122 119.486 -1.364 1
1 682 . 11 1 1 A 60 60 LEU H H 60 9.016 8.917 0.099 1
1 683 . 11 1 1 A 60 60 LEU HA H 60 5.221 5.031 0.190 1
1 693 . 11 1 1 A 60 60 LEU CA C 60 52.275 51.198 1.077 1
1 694 . 11 1 1 A 60 60 LEU CB C 60 46.774 46.049 0.725 1
1 698 . 11 1 1 A 60 60 LEU N N 60 121.299 124.357 -3.058 1
1 699 . 11 1 1 A 61 61 PRO HA H 61 4.614 4.690 -0.076 1
1 706 . 11 1 1 A 61 61 PRO C C 61 176.316 177.880 -1.564 1
1 707 . 11 1 1 A 61 61 PRO CA C 61 62.719 62.611 0.108 1
1 708 . 11 1 1 A 61 61 PRO CB C 61 33.758 32.662 1.096 1
1 711 . 11 1 1 A 62 62 ARG H H 62 8.017 8.490 -0.473 1
1 712 . 11 1 1 A 62 62 ARG HA H 62 3.738 3.903 -0.165 1
1 719 . 11 1 1 A 62 62 ARG C C 62 176.976 177.834 -0.858 1
1 720 . 11 1 1 A 62 62 ARG CA C 62 60.653 59.284 1.369 1
1 721 . 11 1 1 A 62 62 ARG CB C 62 31.549 29.651 1.898 1
1 724 . 11 1 1 A 62 62 ARG N N 62 118.159 122.630 -4.471 1
1 725 . 11 1 1 A 63 63 ASP H H 63 8.665 7.791 0.874 1
1 726 . 11 1 1 A 63 63 ASP HA H 63 4.484 4.488 -0.004 1
1 729 . 11 1 1 A 63 63 ASP C C 63 177.483 176.912 0.571 1
1 730 . 11 1 1 A 63 63 ASP CA C 63 57.335 56.304 1.031 1
1 731 . 11 1 1 A 63 63 ASP CB C 63 41.410 40.921 0.489 1
1 732 . 11 1 1 A 63 63 ASP N N 63 113.726 119.851 -6.125 1
1 733 . 11 1 1 A 64 64 THR H H 64 7.553 7.649 -0.096 1
1 734 . 11 1 1 A 64 64 THR HA H 64 4.562 4.753 -0.191 1
1 739 . 11 1 1 A 64 64 THR C C 64 175.654 175.392 0.262 1
1 740 . 11 1 1 A 64 64 THR CA C 64 61.499 61.044 0.455 1
1 741 . 11 1 1 A 64 64 THR CB C 64 69.606 69.621 -0.015 1
1 743 . 11 1 1 A 64 64 THR N N 64 107.855 106.901 0.954 1
1 744 . 11 1 1 A 65 65 ALA H H 65 7.406 7.424 -0.018 1
1 745 . 11 1 1 A 65 65 ALA HA H 65 4.012 4.171 -0.159 1
1 749 . 11 1 1 A 65 65 ALA C C 65 176.820 179.680 -2.860 1
1 750 . 11 1 1 A 65 65 ALA CA C 65 55.939 54.915 1.024 1
1 751 . 11 1 1 A 65 65 ALA CB C 65 19.454 17.816 1.638 1
1 752 . 11 1 1 A 65 65 ALA N N 65 123.777 125.937 -2.160 1
1 753 . 11 1 1 A 66 66 PHE H H 66 7.583 7.509 0.074 1
1 754 . 11 1 1 A 66 66 PHE HA H 66 4.381 4.784 -0.403 1
1 762 . 11 1 1 A 66 66 PHE C C 66 176.104 177.628 -1.524 1
1 763 . 11 1 1 A 66 66 PHE CA C 66 58.836 60.876 -2.040 1
1 764 . 11 1 1 A 66 66 PHE CB C 66 37.740 38.072 -0.332 1
1 770 . 11 1 1 A 66 66 PHE N N 66 110.346 115.401 -5.055 1
1 771 . 11 1 1 A 67 67 ASN H H 67 7.984 8.395 -0.411 1
1 772 . 11 1 1 A 67 67 ASN HA H 67 4.848 4.853 -0.005 1
1 777 . 11 1 1 A 67 67 ASN C C 67 175.700 177.646 -1.946 1
1 778 . 11 1 1 A 67 67 ASN CA C 67 53.469 54.599 -1.130 1
1 779 . 11 1 1 A 67 67 ASN CB C 67 38.836 38.508 0.328 1
1 780 . 11 1 1 A 67 67 ASN N N 67 120.591 118.847 1.744 1
1 782 . 11 1 1 A 68 68 PHE H H 68 7.218 7.997 -0.779 1
1 783 . 11 1 1 A 68 68 PHE HA H 68 4.054 4.327 -0.273 1
1 790 . 11 1 1 A 68 68 PHE C C 68 174.796 177.019 -2.223 1
1 791 . 11 1 1 A 68 68 PHE CA C 68 60.849 59.678 1.171 1
1 792 . 11 1 1 A 68 68 PHE CB C 68 40.263 37.078 3.185 1
1 797 . 11 1 1 A 68 68 PHE N N 68 115.915 118.111 -2.196 1
1 798 . 11 1 1 A 69 69 ALA H H 69 7.780 7.740 0.040 1
1 799 . 11 1 1 A 69 69 ALA HA H 69 3.484 3.288 0.196 1
1 803 . 11 1 1 A 69 69 ALA C C 69 180.022 179.960 0.062 1
1 804 . 11 1 1 A 69 69 ALA CA C 69 56.283 54.475 1.808 1
1 805 . 11 1 1 A 69 69 ALA CB C 69 18.935 18.020 0.915 1
1 806 . 11 1 1 A 69 69 ALA N N 69 124.604 123.482 1.122 1
1 807 . 11 1 1 A 70 70 SER H H 70 7.852 7.902 -0.050 1
1 808 . 11 1 1 A 70 70 SER HA H 70 4.061 4.116 -0.055 1
1 811 . 11 1 1 A 70 70 SER C C 70 177.054 176.086 0.968 1
1 812 . 11 1 1 A 70 70 SER CA C 70 62.085 61.540 0.545 1
1 813 . 11 1 1 A 70 70 SER CB C 70 62.976 63.192 -0.216 1
1 814 . 11 1 1 A 70 70 SER N N 70 114.973 113.595 1.378 1
1 815 . 11 1 1 A 71 71 ASP H H 71 7.602 7.552 0.050 1
1 816 . 11 1 1 A 71 71 ASP HA H 71 4.012 4.207 -0.195 1
1 819 . 11 1 1 A 71 71 ASP C C 71 177.086 177.949 -0.863 1
1 820 . 11 1 1 A 71 71 ASP CA C 71 58.501 56.913 1.588 1
1 821 . 11 1 1 A 71 71 ASP CB C 71 42.006 40.863 1.143 1
1 822 . 11 1 1 A 71 71 ASP N N 71 123.211 121.831 1.380 1
1 823 . 11 1 1 A 72 72 ALA H H 72 8.406 8.234 0.172 1
1 824 . 11 1 1 A 72 72 ALA HA H 72 3.671 4.239 -0.568 1
1 828 . 11 1 1 A 72 72 ALA C C 72 179.377 179.899 -0.522 1
1 829 . 11 1 1 A 72 72 ALA CA C 72 55.717 55.393 0.324 1
1 830 . 11 1 1 A 72 72 ALA CB C 72 18.658 18.141 0.517 1
1 831 . 11 1 1 A 72 72 ALA N N 72 119.793 121.677 -1.884 1
1 832 . 11 1 1 A 73 73 THR H H 73 7.631 7.699 -0.068 1
1 833 . 11 1 1 A 73 73 THR HA H 73 3.562 3.929 -0.367 1
1 838 . 11 1 1 A 73 73 THR C C 73 175.072 176.139 -1.067 1
1 839 . 11 1 1 A 73 73 THR CA C 73 68.525 66.571 1.954 1
1 840 . 11 1 1 A 73 73 THR CB C 73 69.564 68.568 0.996 1
1 842 . 11 1 1 A 73 73 THR N N 73 114.702 114.981 -0.279 1
1 843 . 11 1 1 A 74 74 ARG H H 74 7.629 7.969 -0.340 1
1 844 . 11 1 1 A 74 74 ARG HA H 74 3.795 4.010 -0.215 1
1 851 . 11 1 1 A 74 74 ARG C C 74 176.832 178.227 -1.395 1
1 852 . 11 1 1 A 74 74 ARG CA C 74 60.580 58.839 1.741 1
1 853 . 11 1 1 A 74 74 ARG CB C 74 30.409 29.477 0.932 1
1 856 . 11 1 1 A 74 74 ARG N N 74 122.528 120.925 1.603 1
1 857 . 11 1 1 A 75 75 VAL H H 75 8.008 8.015 -0.007 1
1 858 . 11 1 1 A 75 75 VAL HA H 75 3.439 3.812 -0.373 1
1 866 . 11 1 1 A 75 75 VAL C C 75 177.802 177.356 0.446 1
1 867 . 11 1 1 A 75 75 VAL CA C 75 67.492 64.635 2.857 1
1 868 . 11 1 1 A 75 75 VAL CB C 75 32.220 31.507 0.713 1
1 871 . 11 1 1 A 75 75 VAL N N 75 120.044 119.177 0.867 1
1 872 . 11 1 1 A 76 76 ALA H H 76 8.092 7.799 0.293 1
1 873 . 11 1 1 A 76 76 ALA HA H 76 3.537 4.021 -0.484 1
1 877 . 11 1 1 A 76 76 ALA C C 76 180.078 179.513 0.565 1
1 878 . 11 1 1 A 76 76 ALA CA C 76 56.194 55.531 0.663 1
1 879 . 11 1 1 A 76 76 ALA CB C 76 18.882 18.098 0.784 1
1 880 . 11 1 1 A 76 76 ALA N N 76 120.726 123.863 -3.137 1
1 881 . 11 1 1 A 77 77 GLN H H 77 8.432 8.071 0.361 1
1 882 . 11 1 1 A 77 77 GLN HA H 77 4.428 3.968 0.460 1
1 885 . 11 1 1 A 77 77 GLN CA C 77 58.987 58.153 0.834 1
1 887 . 11 1 1 A 77 77 GLN N N 77 118.235 116.019 2.216 1
1 888 . 11 1 1 A 78 78 LYS H H 78 7.655 7.817 -0.162 1
1 889 . 11 1 1 A 78 78 LYS HA H 78 3.874 3.998 -0.124 1
1 898 . 11 1 1 A 78 78 LYS C C 78 177.044 177.829 -0.785 1
1 899 . 11 1 1 A 78 78 LYS CA C 78 59.393 58.496 0.897 1
1 900 . 11 1 1 A 78 78 LYS CB C 78 32.583 32.270 0.313 1
1 904 . 11 1 1 A 78 78 LYS N N 78 121.797 118.472 3.325 1
1 905 . 11 1 1 A 79 79 HIS H H 79 6.888 7.316 -0.428 1
1 906 . 11 1 1 A 79 79 HIS HA H 79 4.501 4.529 -0.028 1
1 909 . 11 1 1 A 79 79 HIS C C 79 174.191 174.919 -0.728 1
1 910 . 11 1 1 A 79 79 HIS CA C 79 56.166 56.102 0.064 1
1 911 . 11 1 1 A 79 79 HIS CB C 79 30.993 29.895 1.098 1
1 912 . 11 1 1 A 79 79 HIS N N 79 115.368 115.204 0.164 1
1 913 . 11 1 1 A 80 80 GLY H H 80 7.159 7.394 -0.235 1
1 914 . 11 1 1 A 80 80 GLY HA2 H 80 4.433 3.845 0.588 1
1 915 . 11 1 1 A 80 80 GLY HA3 H 80 3.541 3.862 -0.321 1
1 916 . 11 1 1 A 80 80 GLY C C 80 175.246 174.953 0.293 1
1 917 . 11 1 1 A 80 80 GLY CA C 80 45.823 46.330 -0.507 1
1 918 . 11 1 1 A 80 80 GLY N N 80 104.319 107.769 -3.450 1
1 919 . 11 1 1 A 81 81 LEU H H 81 7.962 7.819 0.143 1
1 920 . 11 1 1 A 81 81 LEU HA H 81 4.012 4.358 -0.346 1
1 930 . 11 1 1 A 81 81 LEU CA C 81 56.383 54.636 1.747 1
1 931 . 11 1 1 A 81 81 LEU CB C 81 43.506 42.367 1.139 1
1 935 . 11 1 1 A 81 81 LEU N N 81 124.945 121.087 3.858 1
1 936 . 11 1 1 A 83 83 PRO HA H 83 4.248 4.349 -0.101 1
1 943 . 11 1 1 A 83 83 PRO CA C 83 65.606 63.262 2.344 1
1 944 . 11 1 1 A 83 83 PRO CB C 83 32.805 31.828 0.977 1
1 947 . 11 1 1 A 84 84 LYS HA H 84 4.132 3.846 0.286 1
1 956 . 11 1 1 A 84 84 LYS CA C 84 59.351 58.286 1.065 1
1 957 . 11 1 1 A 84 84 LYS CB C 84 33.109 31.956 1.153 1
1 961 . 11 1 1 A 85 85 PHE HA H 85 3.941 4.429 -0.488 1
1 964 . 11 1 1 A 85 85 PHE CA C 85 59.693 59.663 0.030 1
1 965 . 11 1 1 A 85 85 PHE CB C 85 39.968 37.536 2.432 1
1 966 . 11 1 1 A 86 86 GLY HA2 H 86 3.721 4.027 -0.306 1
1 967 . 11 1 1 A 86 86 GLY HA3 H 86 3.659 4.032 -0.373 1
1 968 . 11 1 1 A 86 86 GLY CA C 86 44.471 45.652 -1.181 1
1 969 . 11 1 1 A 87 87 ALA HA H 87 4.274 4.285 -0.011 1
1 973 . 11 1 1 A 87 87 ALA CA C 87 53.390 52.485 0.905 1
1 974 . 11 1 1 A 87 87 ALA CB C 87 20.262 19.281 0.981 1
1 975 . 11 1 1 A 88 88 ILE HA H 88 4.015 4.402 -0.387 1
1 985 . 11 1 1 A 88 88 ILE CA C 88 63.697 60.017 3.680 1
1 986 . 11 1 1 A 88 88 ILE CB C 88 38.931 39.682 -0.751 1
1 990 . 11 1 1 A 89 89 THR HA H 89 4.224 4.106 0.118 1
1 994 . 11 1 1 A 89 89 THR CA C 89 63.088 64.776 -1.688 1
1 996 . 11 1 1 A 90 90 ARG HA H 90 4.105 4.292 -0.187 1
1 1003 . 11 1 1 A 90 90 ARG CA C 90 58.412 55.114 3.298 1
1 1004 . 11 1 1 A 90 90 ARG CB C 90 30.907 28.880 2.027 1
1 1007 . 11 1 1 A 91 91 VAL HA H 91 4.047 4.798 -0.751 1
1 1015 . 11 1 1 A 91 91 VAL C C 91 175.627 173.727 1.900 1
1 1016 . 11 1 1 A 91 91 VAL CA C 91 62.923 59.153 3.770 1
1 1017 . 11 1 1 A 91 91 VAL CB C 91 32.060 35.798 -3.738 1
1 1020 . 11 1 1 A 92 92 HIS HA H 92 4.567 4.936 -0.369 1
1 1023 . 11 1 1 A 92 92 HIS CA C 92 57.021 54.505 2.516 1
1 1024 . 11 1 1 A 92 92 HIS CB C 92 31.579 29.905 1.674 1
1 1025 . 11 1 1 A 93 93 LYS H H 93 8.490 8.984 -0.494 1
1 1026 . 11 1 1 A 93 93 LYS HA H 93 4.149 4.543 -0.394 1
1 1035 . 11 1 1 A 93 93 LYS CA C 93 58.472 54.963 3.509 1
1 1036 . 11 1 1 A 93 93 LYS CB C 93 32.632 32.574 0.058 1
1 1040 . 11 1 1 A 93 93 LYS N N 93 123.001 124.837 -1.836 1
1 1041 . 11 1 1 A 94 94 GLU HA H 94 4.265 4.544 -0.279 1
1 1046 . 11 1 1 A 94 94 GLU CA C 94 57.682 55.269 2.413 1
1 1047 . 11 1 1 A 94 94 GLU CB C 94 30.952 27.529 3.423 1
1 1049 . 11 1 1 A 95 95 TYR HA H 95 4.205 4.052 0.153 1
1 1056 . 11 1 1 A 95 95 TYR C C 95 176.555 177.315 -0.760 1
1 1057 . 11 1 1 A 95 95 TYR CA C 95 60.582 61.296 -0.714 1
1 1058 . 11 1 1 A 95 95 TYR CB C 95 39.000 38.609 0.391 1
1 1063 . 11 1 1 A 96 96 ASP H H 96 8.104 8.196 -0.092 1
1 1064 . 11 1 1 A 96 96 ASP HA H 96 4.252 4.453 -0.201 1
1 1067 . 11 1 1 A 96 96 ASP CA C 96 58.583 57.399 1.184 1
1 1068 . 11 1 1 A 96 96 ASP CB C 96 41.058 40.354 0.704 1
1 1069 . 11 1 1 A 96 96 ASP N N 96 120.068 120.179 -0.111 1
1 1070 . 11 1 1 A 97 97 ALA HA H 97 3.964 4.143 -0.179 1
1 1074 . 11 1 1 A 97 97 ALA C C 97 179.912 179.337 0.575 1
1 1075 . 11 1 1 A 97 97 ALA CA C 97 55.582 55.233 0.349 1
1 1076 . 11 1 1 A 97 97 ALA CB C 97 18.849 18.218 0.631 1
1 1077 . 11 1 1 A 98 98 MET H H 98 7.422 7.515 -0.093 1
1 1078 . 11 1 1 A 98 98 MET HA H 98 3.847 4.159 -0.312 1
1 1083 . 11 1 1 A 98 98 MET C C 98 177.185 178.172 -0.987 1
1 1084 . 11 1 1 A 98 98 MET CA C 98 59.943 58.240 1.703 1
1 1085 . 11 1 1 A 98 98 MET CB C 98 32.583 31.558 1.025 1
1 1087 . 11 1 1 A 98 98 MET N N 98 120.651 118.727 1.924 1
1 1088 . 11 1 1 A 99 99 PHE H H 99 8.652 8.734 -0.082 1
1 1089 . 11 1 1 A 99 99 PHE HA H 99 4.150 4.129 0.021 1
1 1097 . 11 1 1 A 99 99 PHE C C 99 177.911 177.962 -0.051 1
1 1098 . 11 1 1 A 99 99 PHE CA C 99 61.936 61.880 0.056 1
1 1099 . 11 1 1 A 99 99 PHE CB C 99 39.302 39.271 0.031 1
1 1105 . 11 1 1 A 99 99 PHE N N 99 119.857 120.502 -0.645 1
1 1106 . 11 1 1 A 100 100 GLU H H 100 8.232 8.570 -0.338 1
1 1107 . 11 1 1 A 100 100 GLU HA H 100 4.094 4.053 0.041 1
1 1112 . 11 1 1 A 100 100 GLU CA C 100 59.579 59.204 0.375 1
1 1113 . 11 1 1 A 100 100 GLU CB C 100 29.878 28.998 0.880 1
1 1115 . 11 1 1 A 100 100 GLU N N 100 117.666 117.694 -0.028 1
1 1116 . 11 1 1 A 101 101 ASP HA H 101 4.568 4.467 0.101 1
1 1119 . 11 1 1 A 101 101 ASP C C 101 177.667 178.641 -0.974 1
1 1120 . 11 1 1 A 101 101 ASP CA C 101 58.940 57.895 1.045 1
1 1121 . 11 1 1 A 101 101 ASP CB C 101 43.462 41.705 1.757 1
1 1122 . 11 1 1 A 102 102 ILE H H 102 8.370 8.031 0.339 1
1 1123 . 11 1 1 A 102 102 ILE HA H 102 3.319 3.635 -0.316 1
1 1133 . 11 1 1 A 102 102 ILE C C 102 177.347 178.382 -1.035 1
1 1134 . 11 1 1 A 102 102 ILE CA C 102 67.567 65.228 2.339 1
1 1135 . 11 1 1 A 102 102 ILE CB C 102 38.766 37.676 1.090 1
1 1139 . 11 1 1 A 102 102 ILE N N 102 118.449 119.254 -0.805 1
1 1140 . 11 1 1 A 103 103 ARG H H 103 8.450 8.216 0.234 1
1 1141 . 11 1 1 A 103 103 ARG HA H 103 3.834 4.254 -0.420 1
1 1148 . 11 1 1 A 103 103 ARG C C 103 178.760 178.476 0.284 1
1 1149 . 11 1 1 A 103 103 ARG CA C 103 61.318 58.631 2.687 1
1 1150 . 11 1 1 A 103 103 ARG CB C 103 30.978 29.766 1.212 1
1 1153 . 11 1 1 A 103 103 ARG N N 103 118.941 120.631 -1.690 1
1 1154 . 11 1 1 A 104 104 ALA H H 104 8.289 7.901 0.388 1
1 1155 . 11 1 1 A 104 104 ALA HA H 104 4.072 4.025 0.047 1
1 1159 . 11 1 1 A 104 104 ALA C C 104 181.340 179.633 1.707 1
1 1160 . 11 1 1 A 104 104 ALA CA C 104 56.021 55.521 0.500 1
1 1161 . 11 1 1 A 104 104 ALA CB C 104 18.962 18.537 0.425 1
1 1162 . 11 1 1 A 104 104 ALA N N 104 121.028 122.637 -1.609 1
1 1163 . 11 1 1 A 105 105 LYS H H 105 8.231 8.152 0.079 1
1 1164 . 11 1 1 A 105 105 LYS HA H 105 4.013 3.975 0.038 1
1 1173 . 11 1 1 A 105 105 LYS C C 105 179.414 179.547 -0.133 1
1 1174 . 11 1 1 A 105 105 LYS CA C 105 60.025 59.411 0.614 1
1 1175 . 11 1 1 A 105 105 LYS CB C 105 34.341 32.710 1.631 1
1 1179 . 11 1 1 A 105 105 LYS N N 105 118.789 117.441 1.348 1
1 1180 . 11 1 1 A 106 106 LEU H H 106 8.289 8.315 -0.026 1
1 1181 . 11 1 1 A 106 106 LEU HA H 106 4.043 4.010 0.033 1
1 1191 . 11 1 1 A 106 106 LEU C C 106 178.091 178.454 -0.363 1
1 1192 . 11 1 1 A 106 106 LEU CA C 106 57.469 57.792 -0.323 1
1 1193 . 11 1 1 A 106 106 LEU CB C 106 43.248 41.375 1.873 1
1 1197 . 11 1 1 A 106 106 LEU N N 106 119.086 119.590 -0.504 1
1 1198 . 11 1 1 A 107 107 HIS H H 107 7.861 7.897 -0.036 1
1 1199 . 11 1 1 A 107 107 HIS HA H 107 4.428 4.436 -0.008 1
1 1203 . 11 1 1 A 107 107 HIS C C 107 175.263 174.773 0.490 1
1 1204 . 11 1 1 A 107 107 HIS CA C 107 58.218 58.348 -0.130 1
1 1205 . 11 1 1 A 107 107 HIS CB C 107 30.819 30.456 0.363 1
1 1207 . 11 1 1 A 107 107 HIS N N 107 118.172 118.317 -0.145 1
1 1208 . 11 1 1 A 108 108 ALA H H 108 7.505 7.852 -0.347 1
1 1209 . 11 1 1 A 108 108 ALA HA H 108 4.218 3.822 0.396 1
1 1213 . 11 1 1 A 108 108 ALA C C 108 179.374 175.694 3.680 1
1 1214 . 11 1 1 A 108 108 ALA CA C 108 53.303 53.505 -0.202 1
1 1215 . 11 1 1 A 108 108 ALA CB C 108 20.005 17.860 2.145 1
1 1216 . 11 1 1 A 108 108 ALA N N 108 121.363 120.747 0.616 1
1 1217 . 11 1 1 A 109 109 HIS H H 109 7.987 7.637 0.350 1
1 1218 . 11 1 1 A 109 109 HIS HA H 109 4.770 5.067 -0.297 1
1 1221 . 11 1 1 A 109 109 HIS CA C 109 55.217 53.652 1.565 1
1 1222 . 11 1 1 A 109 109 HIS CB C 109 31.250 33.115 -1.865 1
1 1223 . 11 1 1 A 109 109 HIS N N 109 120.133 116.299 3.834 1
1 1224 . 11 1 1 A 110 110 PRO HA H 110 4.368 4.417 -0.049 1
1 1231 . 11 1 1 A 110 110 PRO C C 110 177.350 177.474 -0.124 1
1 1232 . 11 1 1 A 110 110 PRO CA C 110 64.430 63.628 0.802 1
1 1233 . 11 1 1 A 110 110 PRO CB C 110 32.912 32.076 0.836 1
1 1236 . 11 1 1 A 111 111 GLY H H 111 8.492 8.729 -0.237 1
1 1237 . 11 1 1 A 111 111 GLY HA2 H 111 3.925 3.876 0.049 1
1 1238 . 11 1 1 A 111 111 GLY HA3 H 111 3.925 3.929 -0.004 1
1 1239 . 11 1 1 A 111 111 GLY C C 111 173.681 174.534 -0.853 1
1 1240 . 11 1 1 A 111 111 GLY CA C 111 45.831 45.558 0.273 1
1 1241 . 11 1 1 A 111 111 GLY N N 111 109.622 108.568 1.054 1
1 1242 . 11 1 1 A 112 112 GLU H H 112 8.139 7.720 0.419 1
1 1243 . 11 1 1 A 112 112 GLU HA H 112 4.573 4.530 0.043 1
1 1248 . 11 1 1 A 112 112 GLU CA C 112 55.099 55.301 -0.202 1
1 1249 . 11 1 1 A 112 112 GLU CB C 112 30.664 30.019 0.645 1
1 1251 . 11 1 1 A 112 112 GLU N N 112 121.771 119.234 2.537 1
1 1252 . 11 1 1 A 113 113 PRO HA H 113 4.411 4.911 -0.500 1
1 1259 . 11 1 1 A 113 113 PRO C C 113 176.943 176.381 0.562 1
1 1260 . 11 1 1 A 113 113 PRO CA C 113 63.990 62.183 1.807 1
1 1261 . 11 1 1 A 113 113 PRO CB C 113 32.817 32.011 0.806 1
1 1264 . 11 1 1 A 114 114 VAL H H 114 8.226 8.310 -0.084 1
1 1265 . 11 1 1 A 114 114 VAL HA H 114 4.036 4.215 -0.179 1
1 1273 . 11 1 1 A 114 114 VAL C C 114 175.708 175.912 -0.204 1
1 1274 . 11 1 1 A 114 114 VAL CA C 114 63.021 61.745 1.276 1
1 1275 . 11 1 1 A 114 114 VAL CB C 114 33.996 32.704 1.292 1
1 1278 . 11 1 1 A 114 114 VAL N N 114 120.138 121.615 -1.477 1
1 1279 . 11 1 1 A 115 115 ASP H H 115 8.313 8.926 -0.613 1
1 1280 . 11 1 1 A 115 115 ASP HA H 115 4.587 4.998 -0.411 1
1 1283 . 11 1 1 A 115 115 ASP C C 115 176.361 176.636 -0.275 1
1 1284 . 11 1 1 A 115 115 ASP CA C 115 54.760 53.634 1.126 1
1 1285 . 11 1 1 A 115 115 ASP CB C 115 41.888 41.200 0.688 1
1 1286 . 11 1 1 A 115 115 ASP N N 115 123.840 126.720 -2.880 1
1 1287 . 11 1 1 A 116 116 LEU H H 116 8.202 8.299 -0.097 1
1 1288 . 11 1 1 A 116 116 LEU HA H 116 4.168 4.006 0.162 1
1 1298 . 11 1 1 A 116 116 LEU C C 116 177.811 177.135 0.676 1
1 1299 . 11 1 1 A 116 116 LEU CA C 116 56.696 57.625 -0.929 1
1 1300 . 11 1 1 A 116 116 LEU CB C 116 43.084 41.363 1.721 1
1 1304 . 11 1 1 A 116 116 LEU N N 116 123.362 119.683 3.679 1
1 1305 . 11 1 1 A 117 117 GLU H H 117 8.311 7.909 0.402 1
1 1306 . 11 1 1 A 117 117 GLU HA H 117 4.141 4.518 -0.377 1
1 1311 . 11 1 1 A 117 117 GLU C C 117 176.687 177.968 -1.281 1
1 1312 . 11 1 1 A 117 117 GLU CA C 117 57.937 56.431 1.506 1
1 1313 . 11 1 1 A 117 117 GLU CB C 117 30.685 30.397 0.288 1
1 1315 . 11 1 1 A 117 117 GLU N N 117 119.881 118.675 1.206 1
1 1316 . 11 1 1 A 118 118 ARG H H 118 7.930 7.569 0.361 1
1 1317 . 11 1 1 A 118 118 ARG HA H 118 4.223 4.159 0.064 1
1 1324 . 11 1 1 A 118 118 ARG C C 118 176.125 178.103 -1.978 1
1 1325 . 11 1 1 A 118 118 ARG CA C 118 57.133 58.136 -1.003 1
1 1326 . 11 1 1 A 118 118 ARG CB C 118 31.445 30.188 1.257 1
1 1329 . 11 1 1 A 118 118 ARG N N 118 120.580 119.760 0.820 1
1 1330 . 11 1 1 A 119 119 ILE H H 119 7.926 7.659 0.267 1
1 1331 . 11 1 1 A 119 119 ILE HA H 119 4.041 4.054 -0.013 1
1 1341 . 11 1 1 A 119 119 ILE C C 119 176.166 175.320 0.846 1
1 1342 . 11 1 1 A 119 119 ILE CA C 119 62.131 61.794 0.337 1
1 1343 . 11 1 1 A 119 119 ILE CB C 119 39.327 38.072 1.255 1
1 1347 . 11 1 1 A 119 119 ILE N N 119 121.721 117.373 4.348 1
1 1348 . 11 1 1 A 120 120 ILE H H 120 8.152 7.752 0.400 1
1 1349 . 11 1 1 A 120 120 ILE HA H 120 4.038 3.622 0.416 1
1 1359 . 11 1 1 A 120 120 ILE C C 120 175.922 175.125 0.797 1
1 1360 . 11 1 1 A 120 120 ILE CA C 120 61.812 62.389 -0.577 1
1 1361 . 11 1 1 A 120 120 ILE CB C 120 39.091 36.111 2.980 1
1 1365 . 11 1 1 A 120 120 ILE N N 120 125.274 119.543 5.731 1
1 1366 . 11 1 1 A 121 121 ARG H H 121 8.266 7.731 0.535 1
1 1367 . 11 1 1 A 121 121 ARG HA H 121 4.293 4.434 -0.141 1
1 1374 . 11 1 1 A 121 121 ARG CA C 121 56.489 55.106 1.383 1
1 1375 . 11 1 1 A 121 121 ARG CB C 121 31.785 29.185 2.600 1
1 1378 . 11 1 1 A 121 121 ARG N N 121 125.412 122.241 3.171 1
1 1379 . 11 1 1 A 122 122 HIS HA H 122 5.066 4.882 0.184 1
1 1383 . 11 1 1 A 122 122 HIS C C 122 175.210 175.966 -0.756 1
1 1384 . 11 1 1 A 122 122 HIS CA C 122 56.554 55.707 0.847 1
1 1385 . 11 1 1 A 122 122 HIS CB C 122 32.905 30.715 2.190 1
1 1387 . 11 1 1 A 123 123 GLU H H 123 8.936 9.084 -0.148 1
1 1388 . 11 1 1 A 123 123 GLU N N 123 121.008 122.256 -1.248 1
1 1389 . 11 1 1 A 124 124 GLY HA2 H 124 3.984 4.141 -0.157 1
1 1390 . 11 1 1 A 124 124 GLY HA3 H 124 3.913 4.230 -0.317 1
1 1391 . 11 1 1 A 124 124 GLY C C 124 173.408 171.904 1.504 1
1 1392 . 11 1 1 A 124 124 GLY CA C 124 46.124 45.953 0.171 1
1 10 . 12 1 1 A 2 2 GLY H H 2 8.402 8.685 -0.283 1
1 11 . 12 1 1 A 2 2 GLY HA2 H 2 3.903 4.143 -0.240 1
1 12 . 12 1 1 A 2 2 GLY HA3 H 2 3.903 4.162 -0.259 1
1 13 . 12 1 1 A 2 2 GLY C C 2 172.919 174.168 -1.249 1
1 14 . 12 1 1 A 2 2 GLY CA C 2 45.814 44.758 1.056 1
1 15 . 12 1 1 A 2 2 GLY N N 2 110.769 108.141 2.628 1
1 16 . 12 1 1 A 3 3 HIS H H 3 8.198 8.145 0.053 1
1 17 . 12 1 1 A 3 3 HIS N N 3 120.514 121.907 -1.393 1
1 18 . 12 1 1 A 4 4 MET HA H 4 4.688 4.950 -0.262 1
1 26 . 12 1 1 A 4 4 MET CA C 4 56.462 54.694 1.768 1
1 27 . 12 1 1 A 4 4 MET CB C 4 35.293 35.124 0.169 1
1 30 . 12 1 1 A 5 5 PHE H H 5 8.690 9.160 -0.470 1
1 31 . 12 1 1 A 5 5 PHE HA H 5 5.254 5.333 -0.079 1
1 39 . 12 1 1 A 5 5 PHE C C 5 173.490 174.083 -0.593 1
1 40 . 12 1 1 A 5 5 PHE CA C 5 58.548 56.914 1.634 1
1 41 . 12 1 1 A 5 5 PHE CB C 5 43.312 42.627 0.685 1
1 47 . 12 1 1 A 5 5 PHE N N 5 123.462 126.601 -3.139 1
1 48 . 12 1 1 A 6 6 GLU H H 6 7.963 8.333 -0.370 1
1 49 . 12 1 1 A 6 6 GLU HA H 6 4.182 4.589 -0.407 1
1 54 . 12 1 1 A 6 6 GLU CA C 6 53.572 53.868 -0.296 1
1 55 . 12 1 1 A 6 6 GLU CB C 6 31.259 32.629 -1.370 1
1 57 . 12 1 1 A 6 6 GLU N N 6 127.826 123.142 4.684 1
1 58 . 12 1 1 A 7 7 PRO HA H 7 3.783 4.411 -0.628 1
1 65 . 12 1 1 A 7 7 PRO C C 7 177.433 177.297 0.136 1
1 66 . 12 1 1 A 7 7 PRO CA C 7 66.503 63.376 3.127 1
1 67 . 12 1 1 A 7 7 PRO CB C 7 31.785 30.832 0.953 1
1 70 . 12 1 1 A 8 8 GLY H H 8 7.537 8.604 -1.067 1
1 71 . 12 1 1 A 8 8 GLY HA2 H 8 3.896 3.437 0.459 1
1 72 . 12 1 1 A 8 8 GLY HA3 H 8 2.085 3.771 -1.686 1
1 73 . 12 1 1 A 8 8 GLY C C 8 174.730 173.050 1.680 1
1 74 . 12 1 1 A 8 8 GLY CA C 8 46.895 44.984 1.911 1
1 75 . 12 1 1 A 8 8 GLY N N 8 111.178 112.714 -1.536 1
1 76 . 12 1 1 A 9 9 HIS H H 9 9.112 7.434 1.678 1
1 77 . 12 1 1 A 9 9 HIS HA H 9 5.699 5.148 0.551 1
1 81 . 12 1 1 A 9 9 HIS C C 9 170.886 172.710 -1.824 1
1 82 . 12 1 1 A 9 9 HIS CA C 9 55.252 55.955 -0.703 1
1 83 . 12 1 1 A 9 9 HIS CB C 9 32.029 32.954 -0.925 1
1 85 . 12 1 1 A 9 9 HIS N N 9 122.719 119.382 3.337 1
1 86 . 12 1 1 A 10 10 LEU H H 10 9.637 8.489 1.148 1
1 87 . 12 1 1 A 10 10 LEU HA H 10 5.198 5.011 0.187 1
1 97 . 12 1 1 A 10 10 LEU C C 10 173.565 174.017 -0.452 1
1 98 . 12 1 1 A 10 10 LEU CA C 10 54.377 54.125 0.252 1
1 99 . 12 1 1 A 10 10 LEU CB C 10 46.916 45.602 1.314 1
1 103 . 12 1 1 A 10 10 LEU N N 10 130.516 126.211 4.305 1
1 104 . 12 1 1 A 11 11 HIS H H 11 9.237 9.393 -0.156 1
1 105 . 12 1 1 A 11 11 HIS HA H 11 5.478 5.482 -0.004 1
1 109 . 12 1 1 A 11 11 HIS C C 11 173.559 174.226 -0.667 1
1 110 . 12 1 1 A 11 11 HIS CA C 11 53.302 54.123 -0.821 1
1 111 . 12 1 1 A 11 11 HIS CB C 11 34.638 32.865 1.773 1
1 113 . 12 1 1 A 11 11 HIS N N 11 128.715 127.477 1.238 1
1 114 . 12 1 1 A 12 12 LEU H H 12 9.370 8.876 0.494 1
1 115 . 12 1 1 A 12 12 LEU HA H 12 4.863 5.128 -0.265 1
1 125 . 12 1 1 A 12 12 LEU CA C 12 54.243 52.928 1.315 1
1 126 . 12 1 1 A 12 12 LEU CB C 12 45.047 44.817 0.230 1
1 130 . 12 1 1 A 12 12 LEU N N 12 127.423 123.250 4.173 1
1 131 . 12 1 1 A 13 13 VAL HA H 13 4.847 5.356 -0.509 1
1 139 . 12 1 1 A 13 13 VAL CA C 13 60.665 58.763 1.902 1
1 140 . 12 1 1 A 13 13 VAL CB C 13 35.978 35.370 0.608 1
1 143 . 12 1 1 A 14 14 SER H H 14 8.220 8.931 -0.711 1
1 144 . 12 1 1 A 14 14 SER HA H 14 4.563 5.039 -0.476 1
1 147 . 12 1 1 A 14 14 SER CA C 14 58.588 56.505 2.083 1
1 148 . 12 1 1 A 14 14 SER CB C 14 65.442 65.249 0.193 1
1 149 . 12 1 1 A 14 14 SER N N 14 118.092 117.371 0.721 1
1 150 . 12 1 1 A 15 15 LEU H H 15 8.965 8.498 0.467 1
1 151 . 12 1 1 A 15 15 LEU HA H 15 4.725 4.281 0.444 1
1 161 . 12 1 1 A 15 15 LEU CA C 15 53.203 53.888 -0.685 1
1 162 . 12 1 1 A 15 15 LEU CB C 15 42.658 41.335 1.323 1
1 166 . 12 1 1 A 15 15 LEU N N 15 124.969 128.647 -3.678 1
1 167 . 12 1 1 A 16 16 PRO HA H 16 4.326 4.270 0.056 1
1 174 . 12 1 1 A 16 16 PRO C C 16 177.551 178.276 -0.725 1
1 175 . 12 1 1 A 16 16 PRO CA C 16 64.262 65.912 -1.650 1
1 176 . 12 1 1 A 16 16 PRO CB C 16 32.855 31.583 1.272 1
1 179 . 12 1 1 A 17 17 GLY H H 17 8.597 8.209 0.388 1
1 180 . 12 1 1 A 17 17 GLY HA2 H 17 4.091 3.846 0.245 1
1 181 . 12 1 1 A 17 17 GLY HA3 H 17 3.773 3.851 -0.078 1
1 182 . 12 1 1 A 17 17 GLY C C 17 173.908 174.806 -0.898 1
1 183 . 12 1 1 A 17 17 GLY CA C 17 46.155 47.195 -1.040 1
1 184 . 12 1 1 A 17 17 GLY N N 17 110.651 108.666 1.985 1
1 185 . 12 1 1 A 18 18 LEU H H 18 7.998 8.383 -0.385 1
1 186 . 12 1 1 A 18 18 LEU HA H 18 4.318 4.294 0.024 1
1 192 . 12 1 1 A 18 18 LEU CA C 18 56.800 55.842 0.958 1
1 193 . 12 1 1 A 18 18 LEU CB C 18 43.502 42.801 0.701 1
1 195 . 12 1 1 A 18 18 LEU N N 18 122.006 124.769 -2.763 1
1 196 . 12 1 1 A 19 19 ASP HA H 19 4.330 5.002 -0.672 1
1 199 . 12 1 1 A 19 19 ASP CA C 19 56.800 53.044 3.756 1
1 200 . 12 1 1 A 19 19 ASP CB C 19 43.498 45.151 -1.653 1
1 201 . 12 1 1 A 20 20 GLN HA H 20 4.248 4.364 -0.116 1
1 208 . 12 1 1 A 20 20 GLN CA C 20 56.991 55.245 1.746 1
1 209 . 12 1 1 A 20 20 GLN CB C 20 31.005 27.813 3.192 1
1 212 . 12 1 1 A 21 21 GLN H H 21 7.823 8.491 -0.668 1
1 213 . 12 1 1 A 21 21 GLN HA H 21 4.478 4.563 -0.085 1
1 220 . 12 1 1 A 21 21 GLN C C 21 174.199 174.721 -0.522 1
1 221 . 12 1 1 A 21 21 GLN CA C 21 56.424 55.812 0.612 1
1 222 . 12 1 1 A 21 21 GLN CB C 21 33.930 30.115 3.815 1
1 224 . 12 1 1 A 21 21 GLN N N 21 118.190 127.657 -9.467 1
1 226 . 12 1 1 A 22 22 ASP H H 22 8.549 8.807 -0.258 1
1 227 . 12 1 1 A 22 22 ASP HA H 22 4.708 4.731 -0.023 1
1 230 . 12 1 1 A 22 22 ASP C C 22 175.399 174.969 0.430 1
1 231 . 12 1 1 A 22 22 ASP CA C 22 54.415 53.095 1.320 1
1 232 . 12 1 1 A 22 22 ASP CB C 22 42.744 39.202 3.542 1
1 233 . 12 1 1 A 22 22 ASP N N 22 122.563 125.430 -2.867 1
1 234 . 12 1 1 A 23 23 ILE H H 23 8.681 8.013 0.668 1
1 235 . 12 1 1 A 23 23 ILE HA H 23 4.726 4.656 0.070 1
1 245 . 12 1 1 A 23 23 ILE C C 23 174.896 175.271 -0.375 1
1 246 . 12 1 1 A 23 23 ILE CA C 23 60.384 59.925 0.459 1
1 247 . 12 1 1 A 23 23 ILE CB C 23 42.843 38.911 3.932 1
1 251 . 12 1 1 A 23 23 ILE N N 23 121.642 119.396 2.246 1
1 252 . 12 1 1 A 24 24 ASN H H 24 8.224 8.759 -0.535 1
1 253 . 12 1 1 A 24 24 ASN HA H 24 5.252 5.880 -0.628 1
1 258 . 12 1 1 A 24 24 ASN C C 24 174.672 173.745 0.927 1
1 259 . 12 1 1 A 24 24 ASN CA C 24 54.262 52.718 1.544 1
1 260 . 12 1 1 A 24 24 ASN CB C 24 40.495 40.935 -0.440 1
1 261 . 12 1 1 A 24 24 ASN N N 24 124.418 122.722 1.696 1
1 263 . 12 1 1 A 25 25 ILE H H 25 9.453 9.101 0.352 1
1 264 . 12 1 1 A 25 25 ILE HA H 25 4.896 5.081 -0.185 1
1 274 . 12 1 1 A 25 25 ILE C C 25 173.645 174.942 -1.297 1
1 275 . 12 1 1 A 25 25 ILE CA C 25 61.580 60.436 1.144 1
1 276 . 12 1 1 A 25 25 ILE CB C 25 44.146 42.632 1.514 1
1 280 . 12 1 1 A 25 25 ILE N N 25 122.056 125.162 -3.106 1
1 281 . 12 1 1 A 26 26 HIS H H 26 9.716 8.850 0.866 1
1 282 . 12 1 1 A 26 26 HIS HA H 26 5.404 5.308 0.096 1
1 286 . 12 1 1 A 26 26 HIS C C 26 175.078 174.725 0.353 1
1 287 . 12 1 1 A 26 26 HIS CA C 26 55.881 55.107 0.774 1
1 288 . 12 1 1 A 26 26 HIS CB C 26 32.829 31.534 1.295 1
1 290 . 12 1 1 A 26 26 HIS N N 26 126.720 125.423 1.297 1
1 291 . 12 1 1 A 27 27 ILE H H 27 9.935 9.123 0.812 1
1 292 . 12 1 1 A 27 27 ILE HA H 27 5.096 5.168 -0.072 1
1 302 . 12 1 1 A 27 27 ILE C C 27 174.860 174.807 0.053 1
1 303 . 12 1 1 A 27 27 ILE CA C 27 61.915 60.558 1.357 1
1 304 . 12 1 1 A 27 27 ILE CB C 27 40.667 40.086 0.581 1
1 308 . 12 1 1 A 27 27 ILE N N 27 123.352 123.600 -0.248 1
1 309 . 12 1 1 A 28 28 ARG H H 28 9.315 9.071 0.244 1
1 310 . 12 1 1 A 28 28 ARG HA H 28 5.621 4.850 0.771 1
1 317 . 12 1 1 A 28 28 ARG C C 28 175.573 175.236 0.337 1
1 318 . 12 1 1 A 28 28 ARG CA C 28 54.904 55.144 -0.240 1
1 319 . 12 1 1 A 28 28 ARG CB C 28 33.782 31.887 1.895 1
1 322 . 12 1 1 A 28 28 ARG N N 28 127.731 127.687 0.044 1
1 323 . 12 1 1 A 29 29 TYR H H 29 7.656 8.199 -0.543 1
1 324 . 12 1 1 A 29 29 TYR HA H 29 5.831 5.320 0.511 1
1 331 . 12 1 1 A 29 29 TYR C C 29 173.770 174.900 -1.130 1
1 332 . 12 1 1 A 29 29 TYR CA C 29 55.377 55.620 -0.243 1
1 333 . 12 1 1 A 29 29 TYR CB C 29 43.035 40.605 2.430 1
1 338 . 12 1 1 A 29 29 TYR N N 29 117.229 121.015 -3.786 1
1 339 . 12 1 1 A 30 30 GLU H H 30 8.323 8.551 -0.228 1
1 340 . 12 1 1 A 30 30 GLU HA H 30 4.381 4.696 -0.315 1
1 345 . 12 1 1 A 30 30 GLU C C 30 173.976 175.160 -1.184 1
1 346 . 12 1 1 A 30 30 GLU CA C 30 55.235 55.145 0.090 1
1 347 . 12 1 1 A 30 30 GLU CB C 30 34.494 31.770 2.724 1
1 349 . 12 1 1 A 30 30 GLU N N 30 117.003 125.053 -8.050 1
1 350 . 12 1 1 A 31 31 VAL H H 31 8.957 8.528 0.429 1
1 351 . 12 1 1 A 31 31 VAL HA H 31 4.262 4.259 0.003 1
1 359 . 12 1 1 A 31 31 VAL C C 31 175.045 175.340 -0.295 1
1 360 . 12 1 1 A 31 31 VAL CA C 31 63.418 62.550 0.868 1
1 361 . 12 1 1 A 31 31 VAL CB C 31 32.211 31.317 0.894 1
1 364 . 12 1 1 A 31 31 VAL N N 31 125.299 124.863 0.436 1
1 365 . 12 1 1 A 32 32 ARG H H 32 8.550 8.129 0.421 1
1 366 . 12 1 1 A 32 32 ARG HA H 32 4.408 4.724 -0.316 1
1 373 . 12 1 1 A 32 32 ARG C C 32 173.222 174.105 -0.883 1
1 374 . 12 1 1 A 32 32 ARG CA C 32 55.048 54.131 0.917 1
1 375 . 12 1 1 A 32 32 ARG CB C 32 34.646 34.336 0.310 1
1 378 . 12 1 1 A 32 32 ARG N N 32 128.345 127.178 1.167 1
1 379 . 12 1 1 A 33 33 GLN H H 33 8.148 8.580 -0.432 1
1 380 . 12 1 1 A 33 33 GLN HA H 33 4.697 5.125 -0.428 1
1 387 . 12 1 1 A 33 33 GLN C C 33 175.419 175.665 -0.246 1
1 388 . 12 1 1 A 33 33 GLN CA C 33 55.943 55.286 0.657 1
1 389 . 12 1 1 A 33 33 GLN CB C 33 31.679 30.263 1.416 1
1 391 . 12 1 1 A 33 33 GLN N N 33 116.088 123.620 -7.532 1
1 393 . 12 1 1 A 34 34 ASN H H 34 8.323 8.940 -0.617 1
1 394 . 12 1 1 A 34 34 ASN HA H 34 4.825 5.281 -0.456 1
1 399 . 12 1 1 A 34 34 ASN CA C 34 53.468 52.034 1.434 1
1 400 . 12 1 1 A 34 34 ASN CB C 34 41.559 40.080 1.479 1
1 401 . 12 1 1 A 34 34 ASN N N 34 121.088 122.682 -1.594 1
1 403 . 12 1 1 A 35 35 ALA HA H 35 4.099 4.094 0.005 1
1 407 . 12 1 1 A 35 35 ALA C C 35 178.472 179.235 -0.763 1
1 408 . 12 1 1 A 35 35 ALA CA C 35 55.591 54.086 1.505 1
1 409 . 12 1 1 A 35 35 ALA CB C 35 19.600 18.743 0.857 1
1 410 . 12 1 1 A 36 36 GLU H H 36 8.362 8.021 0.341 1
1 411 . 12 1 1 A 36 36 GLU HA H 36 4.263 4.107 0.156 1
1 416 . 12 1 1 A 36 36 GLU C C 36 177.727 177.593 0.134 1
1 417 . 12 1 1 A 36 36 GLU CA C 36 59.010 58.827 0.183 1
1 418 . 12 1 1 A 36 36 GLU CB C 36 31.059 30.144 0.915 1
1 420 . 12 1 1 A 36 36 GLU N N 36 116.669 119.386 -2.717 1
1 421 . 12 1 1 A 37 37 SER H H 37 8.338 7.989 0.349 1
1 422 . 12 1 1 A 37 37 SER HA H 37 4.515 4.658 -0.143 1
1 425 . 12 1 1 A 37 37 SER C C 37 175.134 175.197 -0.063 1
1 426 . 12 1 1 A 37 37 SER CA C 37 59.568 57.995 1.573 1
1 427 . 12 1 1 A 37 37 SER CB C 37 65.114 65.153 -0.039 1
1 428 . 12 1 1 A 37 37 SER N N 37 111.971 111.249 0.722 1
1 429 . 12 1 1 A 38 38 GLY H H 38 8.098 7.795 0.303 1
1 430 . 12 1 1 A 38 38 GLY HA2 H 38 4.294 3.997 0.297 1
1 431 . 12 1 1 A 38 38 GLY HA3 H 38 3.975 3.999 -0.024 1
1 432 . 12 1 1 A 38 38 GLY C C 38 173.759 173.868 -0.109 1
1 433 . 12 1 1 A 38 38 GLY CA C 38 45.904 46.440 -0.536 1
1 434 . 12 1 1 A 38 38 GLY N N 38 111.508 111.107 0.401 1
1 435 . 12 1 1 A 39 39 ALA H H 39 8.450 8.094 0.356 1
1 436 . 12 1 1 A 39 39 ALA HA H 39 4.902 4.620 0.282 1
1 440 . 12 1 1 A 39 39 ALA C C 39 177.193 177.201 -0.008 1
1 441 . 12 1 1 A 39 39 ALA CA C 39 52.880 51.908 0.972 1
1 442 . 12 1 1 A 39 39 ALA CB C 39 20.714 19.947 0.767 1
1 443 . 12 1 1 A 39 39 ALA N N 39 124.210 127.159 -2.949 1
1 444 . 12 1 1 A 40 40 TYR H H 40 8.854 8.347 0.507 1
1 445 . 12 1 1 A 40 40 TYR HA H 40 4.796 5.372 -0.576 1
1 452 . 12 1 1 A 40 40 TYR C C 40 171.595 172.653 -1.058 1
1 453 . 12 1 1 A 40 40 TYR CA C 40 56.552 55.904 0.648 1
1 454 . 12 1 1 A 40 40 TYR CB C 40 41.319 40.773 0.546 1
1 459 . 12 1 1 A 40 40 TYR N N 40 118.580 117.011 1.569 1
1 460 . 12 1 1 A 41 41 VAL H H 41 9.275 8.392 0.883 1
1 461 . 12 1 1 A 41 41 VAL HA H 41 4.430 4.357 0.073 1
1 469 . 12 1 1 A 41 41 VAL C C 41 174.098 173.896 0.202 1
1 470 . 12 1 1 A 41 41 VAL CA C 41 61.566 60.384 1.182 1
1 471 . 12 1 1 A 41 41 VAL CB C 41 33.852 34.492 -0.640 1
1 474 . 12 1 1 A 41 41 VAL N N 41 118.445 119.077 -0.632 1
1 475 . 12 1 1 A 42 42 HIS H H 42 8.789 8.659 0.130 1
1 476 . 12 1 1 A 42 42 HIS HA H 42 4.814 4.748 0.066 1
1 480 . 12 1 1 A 42 42 HIS C C 42 172.353 173.204 -0.851 1
1 481 . 12 1 1 A 42 42 HIS CA C 42 56.537 54.868 1.669 1
1 482 . 12 1 1 A 42 42 HIS CB C 42 31.587 30.609 0.978 1
1 484 . 12 1 1 A 42 42 HIS N N 42 125.741 126.312 -0.571 1
1 485 . 12 1 1 A 43 43 PHE H H 43 8.604 8.669 -0.065 1
1 486 . 12 1 1 A 43 43 PHE HA H 43 4.933 5.115 -0.182 1
1 494 . 12 1 1 A 43 43 PHE C C 43 174.119 174.149 -0.030 1
1 495 . 12 1 1 A 43 43 PHE CA C 43 56.591 56.762 -0.171 1
1 496 . 12 1 1 A 43 43 PHE CB C 43 41.053 40.459 0.594 1
1 502 . 12 1 1 A 43 43 PHE N N 43 125.631 126.392 -0.761 1
1 503 . 12 1 1 A 44 44 ASP H H 44 9.322 8.884 0.438 1
1 504 . 12 1 1 A 44 44 ASP HA H 44 5.187 5.478 -0.291 1
1 507 . 12 1 1 A 44 44 ASP C C 44 175.076 174.292 0.784 1
1 508 . 12 1 1 A 44 44 ASP CA C 44 55.145 52.871 2.274 1
1 509 . 12 1 1 A 44 44 ASP CB C 44 45.197 44.472 0.725 1
1 510 . 12 1 1 A 44 44 ASP N N 44 121.184 122.565 -1.381 1
1 511 . 12 1 1 A 45 45 MET H H 45 9.110 8.984 0.126 1
1 512 . 12 1 1 A 45 45 MET HA H 45 5.765 6.046 -0.281 1
1 520 . 12 1 1 A 45 45 MET C C 45 173.254 174.294 -1.040 1
1 521 . 12 1 1 A 45 45 MET CA C 45 54.810 54.194 0.616 1
1 522 . 12 1 1 A 45 45 MET CB C 45 38.632 35.881 2.751 1
1 525 . 12 1 1 A 45 45 MET N N 45 121.976 124.092 -2.116 1
1 526 . 12 1 1 A 46 46 ASP H H 46 8.763 8.473 0.290 1
1 527 . 12 1 1 A 46 46 ASP HA H 46 4.373 4.153 0.220 1
1 530 . 12 1 1 A 46 46 ASP C C 46 173.396 174.054 -0.658 1
1 531 . 12 1 1 A 46 46 ASP CA C 46 53.810 52.185 1.625 1
1 532 . 12 1 1 A 46 46 ASP CB C 46 44.722 43.475 1.247 1
1 533 . 12 1 1 A 46 46 ASP N N 46 121.797 121.800 -0.003 1
1 534 . 12 1 1 A 47 47 GLY H H 47 7.154 7.425 -0.271 1
1 535 . 12 1 1 A 47 47 GLY HA2 H 47 5.075 4.006 1.069 1
1 536 . 12 1 1 A 47 47 GLY HA3 H 47 3.927 4.076 -0.149 1
1 537 . 12 1 1 A 47 47 GLY C C 47 172.328 172.008 0.320 1
1 538 . 12 1 1 A 47 47 GLY CA C 47 45.820 45.184 0.636 1
1 539 . 12 1 1 A 47 47 GLY N N 47 105.470 105.406 0.064 1
1 540 . 12 1 1 A 48 48 GLU H H 48 9.100 8.744 0.356 1
1 541 . 12 1 1 A 48 48 GLU HA H 48 5.257 5.603 -0.346 1
1 546 . 12 1 1 A 48 48 GLU C C 48 175.019 174.413 0.606 1
1 547 . 12 1 1 A 48 48 GLU CA C 48 56.247 55.124 1.123 1
1 548 . 12 1 1 A 48 48 GLU CB C 48 35.076 34.043 1.033 1
1 550 . 12 1 1 A 48 48 GLU N N 48 119.799 119.550 0.249 1
1 551 . 12 1 1 A 49 49 ILE H H 49 7.945 8.696 -0.751 1
1 552 . 12 1 1 A 49 49 ILE HA H 49 4.540 4.724 -0.184 1
1 562 . 12 1 1 A 49 49 ILE C C 49 176.382 175.540 0.842 1
1 563 . 12 1 1 A 49 49 ILE CA C 49 61.321 60.377 0.944 1
1 564 . 12 1 1 A 49 49 ILE CB C 49 41.847 40.273 1.574 1
1 568 . 12 1 1 A 49 49 ILE N N 49 120.718 120.484 0.234 1
1 569 . 12 1 1 A 50 50 ASP H H 50 10.048 9.569 0.479 1
1 570 . 12 1 1 A 50 50 ASP HA H 50 4.522 4.404 0.118 1
1 573 . 12 1 1 A 50 50 ASP C C 50 176.193 176.283 -0.090 1
1 574 . 12 1 1 A 50 50 ASP CA C 50 56.872 55.675 1.197 1
1 575 . 12 1 1 A 50 50 ASP CB C 50 40.754 39.596 1.158 1
1 576 . 12 1 1 A 50 50 ASP N N 50 130.256 129.479 0.777 1
1 577 . 12 1 1 A 51 51 GLY H H 51 9.048 8.330 0.718 1
1 578 . 12 1 1 A 51 51 GLY HA2 H 51 4.126 3.880 0.246 1
1 579 . 12 1 1 A 51 51 GLY HA3 H 51 3.660 3.889 -0.229 1
1 580 . 12 1 1 A 51 51 GLY C C 51 173.935 173.995 -0.060 1
1 581 . 12 1 1 A 51 51 GLY CA C 51 46.194 45.296 0.898 1
1 582 . 12 1 1 A 51 51 GLY N N 51 103.446 104.157 -0.711 1
1 583 . 12 1 1 A 52 52 LYS H H 52 7.905 7.366 0.539 1
1 584 . 12 1 1 A 52 52 LYS HA H 52 5.014 4.537 0.477 1
1 593 . 12 1 1 A 52 52 LYS CA C 52 53.809 53.417 0.392 1
1 594 . 12 1 1 A 52 52 LYS CB C 52 33.788 32.708 1.080 1
1 598 . 12 1 1 A 52 52 LYS N N 52 122.692 121.228 1.464 1
1 599 . 12 1 1 A 53 53 PRO HA H 53 5.523 5.422 0.101 1
1 606 . 12 1 1 A 53 53 PRO C C 53 176.300 176.748 -0.448 1
1 607 . 12 1 1 A 53 53 PRO CA C 53 62.896 62.701 0.195 1
1 608 . 12 1 1 A 53 53 PRO CB C 53 33.920 32.847 1.073 1
1 611 . 12 1 1 A 54 54 PHE H H 54 8.643 8.740 -0.097 1
1 612 . 12 1 1 A 54 54 PHE HA H 54 4.907 5.223 -0.316 1
1 620 . 12 1 1 A 54 54 PHE C C 54 172.840 172.894 -0.054 1
1 621 . 12 1 1 A 54 54 PHE CA C 54 57.173 56.305 0.868 1
1 622 . 12 1 1 A 54 54 PHE CB C 54 43.620 41.638 1.982 1
1 628 . 12 1 1 A 54 54 PHE N N 54 117.436 117.810 -0.374 1
1 629 . 12 1 1 A 55 55 SER H H 55 8.009 8.976 -0.967 1
1 630 . 12 1 1 A 55 55 SER HA H 55 4.822 4.966 -0.144 1
1 633 . 12 1 1 A 55 55 SER C C 55 172.856 172.416 0.440 1
1 634 . 12 1 1 A 55 55 SER CA C 55 58.238 56.955 1.283 1
1 635 . 12 1 1 A 55 55 SER CB C 55 66.163 65.474 0.689 1
1 636 . 12 1 1 A 55 55 SER N N 55 113.907 114.057 -0.150 1
1 637 . 12 1 1 A 56 56 ASP H H 56 9.593 8.742 0.851 1
1 638 . 12 1 1 A 56 56 ASP HA H 56 4.985 5.492 -0.507 1
1 641 . 12 1 1 A 56 56 ASP C C 56 175.049 174.287 0.762 1
1 642 . 12 1 1 A 56 56 ASP CA C 56 54.043 53.285 0.758 1
1 643 . 12 1 1 A 56 56 ASP CB C 56 46.425 44.746 1.679 1
1 644 . 12 1 1 A 56 56 ASP N N 56 125.145 124.551 0.594 1
1 645 . 12 1 1 A 57 57 SER H H 57 10.207 8.690 1.517 1
1 646 . 12 1 1 A 57 57 SER HA H 57 5.383 5.357 0.026 1
1 649 . 12 1 1 A 57 57 SER C C 57 172.452 173.311 -0.859 1
1 650 . 12 1 1 A 57 57 SER CA C 57 59.008 57.063 1.945 1
1 651 . 12 1 1 A 57 57 SER CB C 57 67.802 66.472 1.330 1
1 652 . 12 1 1 A 57 57 SER N N 57 115.172 117.220 -2.048 1
1 653 . 12 1 1 A 58 58 PHE H H 58 8.623 8.584 0.039 1
1 654 . 12 1 1 A 58 58 PHE HA H 58 4.904 5.595 -0.691 1
1 662 . 12 1 1 A 58 58 PHE C C 58 172.447 172.970 -0.523 1
1 663 . 12 1 1 A 58 58 PHE CA C 58 57.781 55.384 2.397 1
1 664 . 12 1 1 A 58 58 PHE CB C 58 40.736 43.067 -2.331 1
1 670 . 12 1 1 A 58 58 PHE N N 58 115.065 117.636 -2.571 1
1 671 . 12 1 1 A 59 59 GLU H H 59 8.721 8.850 -0.129 1
1 672 . 12 1 1 A 59 59 GLU HA H 59 5.595 5.277 0.318 1
1 677 . 12 1 1 A 59 59 GLU C C 59 175.836 175.514 0.322 1
1 678 . 12 1 1 A 59 59 GLU CA C 59 55.290 55.069 0.221 1
1 679 . 12 1 1 A 59 59 GLU CB C 59 34.345 32.968 1.377 1
1 681 . 12 1 1 A 59 59 GLU N N 59 118.122 119.283 -1.161 1
1 682 . 12 1 1 A 60 60 LEU H H 60 9.016 8.871 0.145 1
1 683 . 12 1 1 A 60 60 LEU HA H 60 5.221 5.001 0.220 1
1 693 . 12 1 1 A 60 60 LEU CA C 60 52.275 51.269 1.006 1
1 694 . 12 1 1 A 60 60 LEU CB C 60 46.774 45.728 1.046 1
1 698 . 12 1 1 A 60 60 LEU N N 60 121.299 124.816 -3.517 1
1 699 . 12 1 1 A 61 61 PRO HA H 61 4.614 4.679 -0.065 1
1 706 . 12 1 1 A 61 61 PRO C C 61 176.316 177.929 -1.613 1
1 707 . 12 1 1 A 61 61 PRO CA C 61 62.719 62.746 -0.027 1
1 708 . 12 1 1 A 61 61 PRO CB C 61 33.758 32.633 1.125 1
1 711 . 12 1 1 A 62 62 ARG H H 62 8.017 8.546 -0.529 1
1 712 . 12 1 1 A 62 62 ARG HA H 62 3.738 3.995 -0.257 1
1 719 . 12 1 1 A 62 62 ARG C C 62 176.976 178.025 -1.049 1
1 720 . 12 1 1 A 62 62 ARG CA C 62 60.653 59.177 1.476 1
1 721 . 12 1 1 A 62 62 ARG CB C 62 31.549 29.688 1.861 1
1 724 . 12 1 1 A 62 62 ARG N N 62 118.159 122.930 -4.771 1
1 725 . 12 1 1 A 63 63 ASP H H 63 8.665 7.909 0.756 1
1 726 . 12 1 1 A 63 63 ASP HA H 63 4.484 4.535 -0.051 1
1 729 . 12 1 1 A 63 63 ASP C C 63 177.483 176.878 0.605 1
1 730 . 12 1 1 A 63 63 ASP CA C 63 57.335 56.289 1.046 1
1 731 . 12 1 1 A 63 63 ASP CB C 63 41.410 40.824 0.586 1
1 732 . 12 1 1 A 63 63 ASP N N 63 113.726 119.941 -6.215 1
1 733 . 12 1 1 A 64 64 THR H H 64 7.553 7.907 -0.354 1
1 734 . 12 1 1 A 64 64 THR HA H 64 4.562 4.832 -0.270 1
1 739 . 12 1 1 A 64 64 THR C C 64 175.654 175.474 0.180 1
1 740 . 12 1 1 A 64 64 THR CA C 64 61.499 60.864 0.635 1
1 741 . 12 1 1 A 64 64 THR CB C 64 69.606 69.447 0.159 1
1 743 . 12 1 1 A 64 64 THR N N 64 107.855 106.240 1.615 1
1 744 . 12 1 1 A 65 65 ALA H H 65 7.406 7.916 -0.510 1
1 745 . 12 1 1 A 65 65 ALA HA H 65 4.012 4.287 -0.275 1
1 749 . 12 1 1 A 65 65 ALA C C 65 176.820 179.946 -3.126 1
1 750 . 12 1 1 A 65 65 ALA CA C 65 55.939 55.037 0.902 1
1 751 . 12 1 1 A 65 65 ALA CB C 65 19.454 18.128 1.326 1
1 752 . 12 1 1 A 65 65 ALA N N 65 123.777 125.995 -2.218 1
1 753 . 12 1 1 A 66 66 PHE H H 66 7.583 7.813 -0.230 1
1 754 . 12 1 1 A 66 66 PHE HA H 66 4.381 4.423 -0.042 1
1 762 . 12 1 1 A 66 66 PHE C C 66 176.104 177.989 -1.885 1
1 763 . 12 1 1 A 66 66 PHE CA C 66 58.836 61.449 -2.613 1
1 764 . 12 1 1 A 66 66 PHE CB C 66 37.740 37.944 -0.204 1
1 770 . 12 1 1 A 66 66 PHE N N 66 110.346 115.825 -5.479 1
1 771 . 12 1 1 A 67 67 ASN H H 67 7.984 8.651 -0.667 1
1 772 . 12 1 1 A 67 67 ASN HA H 67 4.848 4.736 0.112 1
1 777 . 12 1 1 A 67 67 ASN C C 67 175.700 177.268 -1.568 1
1 778 . 12 1 1 A 67 67 ASN CA C 67 53.469 55.470 -2.001 1
1 779 . 12 1 1 A 67 67 ASN CB C 67 38.836 38.613 0.223 1
1 780 . 12 1 1 A 67 67 ASN N N 67 120.591 119.554 1.037 1
1 782 . 12 1 1 A 68 68 PHE H H 68 7.218 8.203 -0.985 1
1 783 . 12 1 1 A 68 68 PHE HA H 68 4.054 4.230 -0.176 1
1 790 . 12 1 1 A 68 68 PHE C C 68 174.796 177.321 -2.525 1
1 791 . 12 1 1 A 68 68 PHE CA C 68 60.849 60.365 0.484 1
1 792 . 12 1 1 A 68 68 PHE CB C 68 40.263 37.157 3.106 1
1 797 . 12 1 1 A 68 68 PHE N N 68 115.915 117.617 -1.702 1
1 798 . 12 1 1 A 69 69 ALA H H 69 7.780 7.793 -0.013 1
1 799 . 12 1 1 A 69 69 ALA HA H 69 3.484 3.360 0.124 1
1 803 . 12 1 1 A 69 69 ALA C C 69 180.022 179.142 0.880 1
1 804 . 12 1 1 A 69 69 ALA CA C 69 56.283 54.711 1.572 1
1 805 . 12 1 1 A 69 69 ALA CB C 69 18.935 17.924 1.011 1
1 806 . 12 1 1 A 69 69 ALA N N 69 124.604 123.733 0.871 1
1 807 . 12 1 1 A 70 70 SER H H 70 7.852 7.811 0.041 1
1 808 . 12 1 1 A 70 70 SER HA H 70 4.061 4.023 0.038 1
1 811 . 12 1 1 A 70 70 SER C C 70 177.054 176.177 0.877 1
1 812 . 12 1 1 A 70 70 SER CA C 70 62.085 61.779 0.306 1
1 813 . 12 1 1 A 70 70 SER CB C 70 62.976 62.989 -0.013 1
1 814 . 12 1 1 A 70 70 SER N N 70 114.973 113.715 1.258 1
1 815 . 12 1 1 A 71 71 ASP H H 71 7.602 8.056 -0.454 1
1 816 . 12 1 1 A 71 71 ASP HA H 71 4.012 4.164 -0.152 1
1 819 . 12 1 1 A 71 71 ASP C C 71 177.086 178.470 -1.384 1
1 820 . 12 1 1 A 71 71 ASP CA C 71 58.501 56.649 1.852 1
1 821 . 12 1 1 A 71 71 ASP CB C 71 42.006 40.165 1.841 1
1 822 . 12 1 1 A 71 71 ASP N N 71 123.211 122.052 1.159 1
1 823 . 12 1 1 A 72 72 ALA H H 72 8.406 8.324 0.082 1
1 824 . 12 1 1 A 72 72 ALA HA H 72 3.671 4.108 -0.437 1
1 828 . 12 1 1 A 72 72 ALA C C 72 179.377 179.568 -0.191 1
1 829 . 12 1 1 A 72 72 ALA CA C 72 55.717 55.340 0.377 1
1 830 . 12 1 1 A 72 72 ALA CB C 72 18.658 18.719 -0.061 1
1 831 . 12 1 1 A 72 72 ALA N N 72 119.793 121.944 -2.151 1
1 832 . 12 1 1 A 73 73 THR H H 73 7.631 7.484 0.147 1
1 833 . 12 1 1 A 73 73 THR HA H 73 3.562 3.898 -0.336 1
1 838 . 12 1 1 A 73 73 THR C C 73 175.072 176.305 -1.233 1
1 839 . 12 1 1 A 73 73 THR CA C 73 68.525 66.065 2.460 1
1 840 . 12 1 1 A 73 73 THR CB C 73 69.564 68.177 1.387 1
1 842 . 12 1 1 A 73 73 THR N N 73 114.702 114.566 0.136 1
1 843 . 12 1 1 A 74 74 ARG H H 74 7.629 7.670 -0.041 1
1 844 . 12 1 1 A 74 74 ARG HA H 74 3.795 3.970 -0.175 1
1 851 . 12 1 1 A 74 74 ARG C C 74 176.832 178.672 -1.840 1
1 852 . 12 1 1 A 74 74 ARG CA C 74 60.580 58.506 2.074 1
1 853 . 12 1 1 A 74 74 ARG CB C 74 30.409 29.695 0.714 1
1 856 . 12 1 1 A 74 74 ARG N N 74 122.528 120.991 1.537 1
1 857 . 12 1 1 A 75 75 VAL H H 75 8.008 8.428 -0.420 1
1 858 . 12 1 1 A 75 75 VAL HA H 75 3.439 3.650 -0.211 1
1 866 . 12 1 1 A 75 75 VAL C C 75 177.802 178.023 -0.221 1
1 867 . 12 1 1 A 75 75 VAL CA C 75 67.492 66.445 1.047 1
1 868 . 12 1 1 A 75 75 VAL CB C 75 32.220 31.720 0.500 1
1 871 . 12 1 1 A 75 75 VAL N N 75 120.044 119.975 0.069 1
1 872 . 12 1 1 A 76 76 ALA H H 76 8.092 8.006 0.086 1
1 873 . 12 1 1 A 76 76 ALA HA H 76 3.537 3.860 -0.323 1
1 877 . 12 1 1 A 76 76 ALA C C 76 180.078 179.447 0.631 1
1 878 . 12 1 1 A 76 76 ALA CA C 76 56.194 55.769 0.425 1
1 879 . 12 1 1 A 76 76 ALA CB C 76 18.882 18.463 0.419 1
1 880 . 12 1 1 A 76 76 ALA N N 76 120.726 121.849 -1.123 1
1 881 . 12 1 1 A 77 77 GLN H H 77 8.432 8.061 0.371 1
1 882 . 12 1 1 A 77 77 GLN HA H 77 4.428 3.918 0.510 1
1 885 . 12 1 1 A 77 77 GLN CA C 77 58.987 58.510 0.477 1
1 887 . 12 1 1 A 77 77 GLN N N 77 118.235 116.065 2.170 1
1 888 . 12 1 1 A 78 78 LYS H H 78 7.655 7.662 -0.007 1
1 889 . 12 1 1 A 78 78 LYS HA H 78 3.874 3.963 -0.089 1
1 898 . 12 1 1 A 78 78 LYS C C 78 177.044 178.091 -1.047 1
1 899 . 12 1 1 A 78 78 LYS CA C 78 59.393 58.780 0.613 1
1 900 . 12 1 1 A 78 78 LYS CB C 78 32.583 31.951 0.632 1
1 904 . 12 1 1 A 78 78 LYS N N 78 121.797 119.323 2.474 1
1 905 . 12 1 1 A 79 79 HIS H H 79 6.888 7.391 -0.503 1
1 906 . 12 1 1 A 79 79 HIS HA H 79 4.501 4.468 0.033 1
1 909 . 12 1 1 A 79 79 HIS C C 79 174.191 174.869 -0.678 1
1 910 . 12 1 1 A 79 79 HIS CA C 79 56.166 55.962 0.204 1
1 911 . 12 1 1 A 79 79 HIS CB C 79 30.993 29.785 1.208 1
1 912 . 12 1 1 A 79 79 HIS N N 79 115.368 115.542 -0.174 1
1 913 . 12 1 1 A 80 80 GLY H H 80 7.159 7.357 -0.198 1
1 914 . 12 1 1 A 80 80 GLY HA2 H 80 4.433 3.920 0.513 1
1 915 . 12 1 1 A 80 80 GLY HA3 H 80 3.541 3.942 -0.401 1
1 916 . 12 1 1 A 80 80 GLY C C 80 175.246 174.852 0.394 1
1 917 . 12 1 1 A 80 80 GLY CA C 80 45.823 45.337 0.486 1
1 918 . 12 1 1 A 80 80 GLY N N 80 104.319 105.238 -0.919 1
1 919 . 12 1 1 A 81 81 LEU H H 81 7.962 7.755 0.207 1
1 920 . 12 1 1 A 81 81 LEU HA H 81 4.012 4.423 -0.411 1
1 930 . 12 1 1 A 81 81 LEU CA C 81 56.383 54.902 1.481 1
1 931 . 12 1 1 A 81 81 LEU CB C 81 43.506 42.229 1.277 1
1 935 . 12 1 1 A 81 81 LEU N N 81 124.945 122.265 2.680 1
1 936 . 12 1 1 A 83 83 PRO HA H 83 4.248 4.553 -0.305 1
1 943 . 12 1 1 A 83 83 PRO CA C 83 65.606 63.918 1.688 1
1 944 . 12 1 1 A 83 83 PRO CB C 83 32.805 32.640 0.165 1
1 947 . 12 1 1 A 84 84 LYS HA H 84 4.132 3.916 0.216 1
1 956 . 12 1 1 A 84 84 LYS CA C 84 59.351 59.125 0.226 1
1 957 . 12 1 1 A 84 84 LYS CB C 84 33.109 31.710 1.399 1
1 961 . 12 1 1 A 85 85 PHE HA H 85 3.941 4.375 -0.434 1
1 964 . 12 1 1 A 85 85 PHE CA C 85 59.693 59.896 -0.203 1
1 965 . 12 1 1 A 85 85 PHE CB C 85 39.968 39.590 0.378 1
1 966 . 12 1 1 A 86 86 GLY HA2 H 86 3.721 4.027 -0.306 1
1 967 . 12 1 1 A 86 86 GLY HA3 H 86 3.659 4.039 -0.380 1
1 968 . 12 1 1 A 86 86 GLY CA C 86 44.471 45.631 -1.160 1
1 969 . 12 1 1 A 87 87 ALA HA H 87 4.274 3.969 0.305 1
1 973 . 12 1 1 A 87 87 ALA CA C 87 53.390 55.077 -1.687 1
1 974 . 12 1 1 A 87 87 ALA CB C 87 20.262 17.022 3.240 1
1 975 . 12 1 1 A 88 88 ILE HA H 88 4.015 4.185 -0.170 1
1 985 . 12 1 1 A 88 88 ILE CA C 88 63.697 62.099 1.598 1
1 986 . 12 1 1 A 88 88 ILE CB C 88 38.931 37.529 1.402 1
1 990 . 12 1 1 A 89 89 THR HA H 89 4.224 4.059 0.165 1
1 994 . 12 1 1 A 89 89 THR CA C 89 63.088 66.821 -3.733 1
1 996 . 12 1 1 A 90 90 ARG HA H 90 4.105 4.425 -0.320 1
1 1003 . 12 1 1 A 90 90 ARG CA C 90 58.412 54.925 3.487 1
1 1004 . 12 1 1 A 90 90 ARG CB C 90 30.907 28.703 2.204 1
1 1007 . 12 1 1 A 91 91 VAL HA H 91 4.047 4.026 0.021 1
1 1015 . 12 1 1 A 91 91 VAL C C 91 175.627 175.274 0.353 1
1 1016 . 12 1 1 A 91 91 VAL CA C 91 62.923 63.056 -0.133 1
1 1017 . 12 1 1 A 91 91 VAL CB C 91 32.060 31.758 0.302 1
1 1020 . 12 1 1 A 92 92 HIS HA H 92 4.567 4.761 -0.194 1
1 1023 . 12 1 1 A 92 92 HIS CA C 92 57.021 55.945 1.076 1
1 1024 . 12 1 1 A 92 92 HIS CB C 92 31.579 29.084 2.495 1
1 1025 . 12 1 1 A 93 93 LYS H H 93 8.490 8.128 0.362 1
1 1026 . 12 1 1 A 93 93 LYS HA H 93 4.149 4.422 -0.273 1
1 1035 . 12 1 1 A 93 93 LYS CA C 93 58.472 56.112 2.360 1
1 1036 . 12 1 1 A 93 93 LYS CB C 93 32.632 32.275 0.357 1
1 1040 . 12 1 1 A 93 93 LYS N N 93 123.001 124.122 -1.121 1
1 1041 . 12 1 1 A 94 94 GLU HA H 94 4.265 4.479 -0.214 1
1 1046 . 12 1 1 A 94 94 GLU CA C 94 57.682 56.215 1.467 1
1 1047 . 12 1 1 A 94 94 GLU CB C 94 30.952 30.204 0.748 1
1 1049 . 12 1 1 A 95 95 TYR HA H 95 4.205 4.134 0.071 1
1 1056 . 12 1 1 A 95 95 TYR C C 95 176.555 177.760 -1.205 1
1 1057 . 12 1 1 A 95 95 TYR CA C 95 60.582 61.068 -0.486 1
1 1058 . 12 1 1 A 95 95 TYR CB C 95 39.000 38.675 0.325 1
1 1063 . 12 1 1 A 96 96 ASP H H 96 8.104 8.454 -0.350 1
1 1064 . 12 1 1 A 96 96 ASP HA H 96 4.252 4.323 -0.071 1
1 1067 . 12 1 1 A 96 96 ASP CA C 96 58.583 57.387 1.196 1
1 1068 . 12 1 1 A 96 96 ASP CB C 96 41.058 41.133 -0.075 1
1 1069 . 12 1 1 A 96 96 ASP N N 96 120.068 119.151 0.917 1
1 1070 . 12 1 1 A 97 97 ALA HA H 97 3.964 4.099 -0.135 1
1 1074 . 12 1 1 A 97 97 ALA C C 97 179.912 179.716 0.196 1
1 1075 . 12 1 1 A 97 97 ALA CA C 97 55.582 55.269 0.313 1
1 1076 . 12 1 1 A 97 97 ALA CB C 97 18.849 18.374 0.475 1
1 1077 . 12 1 1 A 98 98 MET H H 98 7.422 8.072 -0.650 1
1 1078 . 12 1 1 A 98 98 MET HA H 98 3.847 4.193 -0.346 1
1 1083 . 12 1 1 A 98 98 MET C C 98 177.185 178.132 -0.947 1
1 1084 . 12 1 1 A 98 98 MET CA C 98 59.943 57.940 2.003 1
1 1085 . 12 1 1 A 98 98 MET CB C 98 32.583 32.055 0.528 1
1 1087 . 12 1 1 A 98 98 MET N N 98 120.651 116.494 4.157 1
1 1088 . 12 1 1 A 99 99 PHE H H 99 8.652 8.219 0.433 1
1 1089 . 12 1 1 A 99 99 PHE HA H 99 4.150 4.084 0.066 1
1 1097 . 12 1 1 A 99 99 PHE C C 99 177.911 178.055 -0.144 1
1 1098 . 12 1 1 A 99 99 PHE CA C 99 61.936 61.682 0.254 1
1 1099 . 12 1 1 A 99 99 PHE CB C 99 39.302 38.994 0.308 1
1 1105 . 12 1 1 A 99 99 PHE N N 99 119.857 122.152 -2.295 1
1 1106 . 12 1 1 A 100 100 GLU H H 100 8.232 8.251 -0.019 1
1 1107 . 12 1 1 A 100 100 GLU HA H 100 4.094 4.167 -0.073 1
1 1112 . 12 1 1 A 100 100 GLU CA C 100 59.579 59.303 0.276 1
1 1113 . 12 1 1 A 100 100 GLU CB C 100 29.878 29.022 0.856 1
1 1115 . 12 1 1 A 100 100 GLU N N 100 117.666 117.827 -0.161 1
1 1116 . 12 1 1 A 101 101 ASP HA H 101 4.568 4.469 0.099 1
1 1119 . 12 1 1 A 101 101 ASP C C 101 177.667 178.583 -0.916 1
1 1120 . 12 1 1 A 101 101 ASP CA C 101 58.940 57.716 1.224 1
1 1121 . 12 1 1 A 101 101 ASP CB C 101 43.462 41.584 1.878 1
1 1122 . 12 1 1 A 102 102 ILE H H 102 8.370 8.322 0.048 1
1 1123 . 12 1 1 A 102 102 ILE HA H 102 3.319 3.724 -0.405 1
1 1133 . 12 1 1 A 102 102 ILE C C 102 177.347 178.537 -1.190 1
1 1134 . 12 1 1 A 102 102 ILE CA C 102 67.567 65.314 2.253 1
1 1135 . 12 1 1 A 102 102 ILE CB C 102 38.766 37.511 1.255 1
1 1139 . 12 1 1 A 102 102 ILE N N 102 118.449 119.323 -0.874 1
1 1140 . 12 1 1 A 103 103 ARG H H 103 8.450 8.428 0.022 1
1 1141 . 12 1 1 A 103 103 ARG HA H 103 3.834 4.281 -0.447 1
1 1148 . 12 1 1 A 103 103 ARG C C 103 178.760 178.405 0.355 1
1 1149 . 12 1 1 A 103 103 ARG CA C 103 61.318 58.694 2.624 1
1 1150 . 12 1 1 A 103 103 ARG CB C 103 30.978 30.031 0.947 1
1 1153 . 12 1 1 A 103 103 ARG N N 103 118.941 120.867 -1.926 1
1 1154 . 12 1 1 A 104 104 ALA H H 104 8.289 7.930 0.359 1
1 1155 . 12 1 1 A 104 104 ALA HA H 104 4.072 4.157 -0.085 1
1 1159 . 12 1 1 A 104 104 ALA C C 104 181.340 179.405 1.935 1
1 1160 . 12 1 1 A 104 104 ALA CA C 104 56.021 55.110 0.911 1
1 1161 . 12 1 1 A 104 104 ALA CB C 104 18.962 18.323 0.639 1
1 1162 . 12 1 1 A 104 104 ALA N N 104 121.028 122.428 -1.400 1
1 1163 . 12 1 1 A 105 105 LYS H H 105 8.231 7.997 0.234 1
1 1164 . 12 1 1 A 105 105 LYS HA H 105 4.013 3.939 0.074 1
1 1173 . 12 1 1 A 105 105 LYS C C 105 179.414 179.394 0.020 1
1 1174 . 12 1 1 A 105 105 LYS CA C 105 60.025 59.504 0.521 1
1 1175 . 12 1 1 A 105 105 LYS CB C 105 34.341 32.718 1.623 1
1 1179 . 12 1 1 A 105 105 LYS N N 105 118.789 117.828 0.961 1
1 1180 . 12 1 1 A 106 106 LEU H H 106 8.289 8.421 -0.132 1
1 1181 . 12 1 1 A 106 106 LEU HA H 106 4.043 3.993 0.050 1
1 1191 . 12 1 1 A 106 106 LEU C C 106 178.091 178.064 0.027 1
1 1192 . 12 1 1 A 106 106 LEU CA C 106 57.469 57.534 -0.065 1
1 1193 . 12 1 1 A 106 106 LEU CB C 106 43.248 41.376 1.872 1
1 1197 . 12 1 1 A 106 106 LEU N N 106 119.086 119.285 -0.199 1
1 1198 . 12 1 1 A 107 107 HIS H H 107 7.861 7.620 0.241 1
1 1199 . 12 1 1 A 107 107 HIS HA H 107 4.428 4.469 -0.041 1
1 1203 . 12 1 1 A 107 107 HIS C C 107 175.263 174.764 0.499 1
1 1204 . 12 1 1 A 107 107 HIS CA C 107 58.218 58.279 -0.061 1
1 1205 . 12 1 1 A 107 107 HIS CB C 107 30.819 30.492 0.327 1
1 1207 . 12 1 1 A 107 107 HIS N N 107 118.172 119.135 -0.963 1
1 1208 . 12 1 1 A 108 108 ALA H H 108 7.505 7.754 -0.249 1
1 1209 . 12 1 1 A 108 108 ALA HA H 108 4.218 3.820 0.398 1
1 1213 . 12 1 1 A 108 108 ALA C C 108 179.374 175.678 3.696 1
1 1214 . 12 1 1 A 108 108 ALA CA C 108 53.303 53.459 -0.156 1
1 1215 . 12 1 1 A 108 108 ALA CB C 108 20.005 17.917 2.088 1
1 1216 . 12 1 1 A 108 108 ALA N N 108 121.363 120.722 0.641 1
1 1217 . 12 1 1 A 109 109 HIS H H 109 7.987 7.594 0.393 1
1 1218 . 12 1 1 A 109 109 HIS HA H 109 4.770 5.096 -0.326 1
1 1221 . 12 1 1 A 109 109 HIS CA C 109 55.217 53.760 1.457 1
1 1222 . 12 1 1 A 109 109 HIS CB C 109 31.250 33.251 -2.001 1
1 1223 . 12 1 1 A 109 109 HIS N N 109 120.133 116.260 3.873 1
1 1224 . 12 1 1 A 110 110 PRO HA H 110 4.368 4.641 -0.273 1
1 1231 . 12 1 1 A 110 110 PRO C C 110 177.350 176.491 0.859 1
1 1232 . 12 1 1 A 110 110 PRO CA C 110 64.430 62.983 1.447 1
1 1233 . 12 1 1 A 110 110 PRO CB C 110 32.912 31.652 1.260 1
1 1236 . 12 1 1 A 111 111 GLY H H 111 8.492 8.707 -0.215 1
1 1237 . 12 1 1 A 111 111 GLY HA2 H 111 3.925 4.076 -0.151 1
1 1238 . 12 1 1 A 111 111 GLY HA3 H 111 3.925 4.100 -0.175 1
1 1239 . 12 1 1 A 111 111 GLY C C 111 173.681 173.927 -0.246 1
1 1240 . 12 1 1 A 111 111 GLY CA C 111 45.831 45.870 -0.039 1
1 1241 . 12 1 1 A 111 111 GLY N N 111 109.622 108.358 1.264 1
1 1242 . 12 1 1 A 112 112 GLU H H 112 8.139 7.749 0.390 1
1 1243 . 12 1 1 A 112 112 GLU HA H 112 4.573 4.559 0.014 1
1 1248 . 12 1 1 A 112 112 GLU CA C 112 55.099 54.664 0.435 1
1 1249 . 12 1 1 A 112 112 GLU CB C 112 30.664 29.103 1.561 1
1 1251 . 12 1 1 A 112 112 GLU N N 112 121.771 120.325 1.446 1
1 1252 . 12 1 1 A 113 113 PRO HA H 113 4.411 4.507 -0.096 1
1 1259 . 12 1 1 A 113 113 PRO C C 113 176.943 176.322 0.621 1
1 1260 . 12 1 1 A 113 113 PRO CA C 113 63.990 62.755 1.235 1
1 1261 . 12 1 1 A 113 113 PRO CB C 113 32.817 31.733 1.084 1
1 1264 . 12 1 1 A 114 114 VAL H H 114 8.226 8.311 -0.085 1
1 1265 . 12 1 1 A 114 114 VAL HA H 114 4.036 4.280 -0.244 1
1 1273 . 12 1 1 A 114 114 VAL C C 114 175.708 175.494 0.214 1
1 1274 . 12 1 1 A 114 114 VAL CA C 114 63.021 61.918 1.103 1
1 1275 . 12 1 1 A 114 114 VAL CB C 114 33.996 32.706 1.290 1
1 1278 . 12 1 1 A 114 114 VAL N N 114 120.138 121.402 -1.264 1
1 1279 . 12 1 1 A 115 115 ASP H H 115 8.313 8.635 -0.322 1
1 1280 . 12 1 1 A 115 115 ASP HA H 115 4.587 5.205 -0.618 1
1 1283 . 12 1 1 A 115 115 ASP C C 115 176.361 176.786 -0.425 1
1 1284 . 12 1 1 A 115 115 ASP CA C 115 54.760 52.900 1.860 1
1 1285 . 12 1 1 A 115 115 ASP CB C 115 41.888 40.849 1.039 1
1 1286 . 12 1 1 A 115 115 ASP N N 115 123.840 125.784 -1.944 1
1 1287 . 12 1 1 A 116 116 LEU H H 116 8.202 8.146 0.056 1
1 1288 . 12 1 1 A 116 116 LEU HA H 116 4.168 3.889 0.279 1
1 1298 . 12 1 1 A 116 116 LEU C C 116 177.811 178.430 -0.619 1
1 1299 . 12 1 1 A 116 116 LEU CA C 116 56.696 58.332 -1.636 1
1 1300 . 12 1 1 A 116 116 LEU CB C 116 43.084 41.554 1.530 1
1 1304 . 12 1 1 A 116 116 LEU N N 116 123.362 120.783 2.579 1
1 1305 . 12 1 1 A 117 117 GLU H H 117 8.311 8.565 -0.254 1
1 1306 . 12 1 1 A 117 117 GLU HA H 117 4.141 4.094 0.047 1
1 1311 . 12 1 1 A 117 117 GLU C C 117 176.687 179.248 -2.561 1
1 1312 . 12 1 1 A 117 117 GLU CA C 117 57.937 58.627 -0.690 1
1 1313 . 12 1 1 A 117 117 GLU CB C 117 30.685 28.538 2.147 1
1 1315 . 12 1 1 A 117 117 GLU N N 117 119.881 120.593 -0.712 1
1 1316 . 12 1 1 A 118 118 ARG H H 118 7.930 7.891 0.039 1
1 1317 . 12 1 1 A 118 118 ARG HA H 118 4.223 4.078 0.145 1
1 1324 . 12 1 1 A 118 118 ARG C C 118 176.125 179.020 -2.895 1
1 1325 . 12 1 1 A 118 118 ARG CA C 118 57.133 58.812 -1.679 1
1 1326 . 12 1 1 A 118 118 ARG CB C 118 31.445 29.926 1.519 1
1 1329 . 12 1 1 A 118 118 ARG N N 118 120.580 120.047 0.533 1
1 1330 . 12 1 1 A 119 119 ILE H H 119 7.926 7.935 -0.009 1
1 1331 . 12 1 1 A 119 119 ILE HA H 119 4.041 3.928 0.113 1
1 1341 . 12 1 1 A 119 119 ILE C C 119 176.166 178.771 -2.605 1
1 1342 . 12 1 1 A 119 119 ILE CA C 119 62.131 64.413 -2.282 1
1 1343 . 12 1 1 A 119 119 ILE CB C 119 39.327 36.697 2.630 1
1 1347 . 12 1 1 A 119 119 ILE N N 119 121.721 119.195 2.526 1
1 1348 . 12 1 1 A 120 120 ILE H H 120 8.152 7.687 0.465 1
1 1349 . 12 1 1 A 120 120 ILE HA H 120 4.038 4.032 0.006 1
1 1359 . 12 1 1 A 120 120 ILE C C 120 175.922 176.760 -0.838 1
1 1360 . 12 1 1 A 120 120 ILE CA C 120 61.812 63.621 -1.809 1
1 1361 . 12 1 1 A 120 120 ILE CB C 120 39.091 37.498 1.593 1
1 1365 . 12 1 1 A 120 120 ILE N N 120 125.274 121.313 3.961 1
1 1366 . 12 1 1 A 121 121 ARG H H 121 8.266 7.658 0.608 1
1 1367 . 12 1 1 A 121 121 ARG HA H 121 4.293 4.323 -0.030 1
1 1374 . 12 1 1 A 121 121 ARG CA C 121 56.489 55.289 1.200 1
1 1375 . 12 1 1 A 121 121 ARG CB C 121 31.785 29.179 2.606 1
1 1378 . 12 1 1 A 121 121 ARG N N 121 125.412 119.604 5.808 1
1 1379 . 12 1 1 A 122 122 HIS HA H 122 5.066 4.947 0.119 1
1 1383 . 12 1 1 A 122 122 HIS C C 122 175.210 173.581 1.629 1
1 1384 . 12 1 1 A 122 122 HIS CA C 122 56.554 54.685 1.869 1
1 1385 . 12 1 1 A 122 122 HIS CB C 122 32.905 34.248 -1.343 1
1 1387 . 12 1 1 A 123 123 GLU H H 123 8.936 8.890 0.046 1
1 1388 . 12 1 1 A 123 123 GLU N N 123 121.008 119.472 1.536 1
1 1389 . 12 1 1 A 124 124 GLY HA2 H 124 3.984 3.834 0.150 1
1 1390 . 12 1 1 A 124 124 GLY HA3 H 124 3.913 3.838 0.075 1
1 1391 . 12 1 1 A 124 124 GLY C C 124 173.408 173.503 -0.095 1
1 1392 . 12 1 1 A 124 124 GLY CA C 124 46.124 46.912 -0.788 1
1 10 . 13 1 1 A 2 2 GLY H H 2 8.402 8.085 0.317 1
1 11 . 13 1 1 A 2 2 GLY HA2 H 2 3.903 3.922 -0.019 1
1 12 . 13 1 1 A 2 2 GLY HA3 H 2 3.903 3.960 -0.057 1
1 13 . 13 1 1 A 2 2 GLY C C 2 172.919 174.492 -1.573 1
1 14 . 13 1 1 A 2 2 GLY CA C 2 45.814 47.227 -1.413 1
1 15 . 13 1 1 A 2 2 GLY N N 2 110.769 107.768 3.001 1
1 16 . 13 1 1 A 3 3 HIS H H 3 8.198 8.486 -0.288 1
1 17 . 13 1 1 A 3 3 HIS N N 3 120.514 121.507 -0.993 1
1 18 . 13 1 1 A 4 4 MET HA H 4 4.688 4.653 0.035 1
1 26 . 13 1 1 A 4 4 MET CA C 4 56.462 54.854 1.608 1
1 27 . 13 1 1 A 4 4 MET CB C 4 35.293 33.084 2.209 1
1 30 . 13 1 1 A 5 5 PHE H H 5 8.690 9.110 -0.420 1
1 31 . 13 1 1 A 5 5 PHE HA H 5 5.254 5.084 0.170 1
1 39 . 13 1 1 A 5 5 PHE C C 5 173.490 174.566 -1.076 1
1 40 . 13 1 1 A 5 5 PHE CA C 5 58.548 57.954 0.594 1
1 41 . 13 1 1 A 5 5 PHE CB C 5 43.312 41.626 1.686 1
1 47 . 13 1 1 A 5 5 PHE N N 5 123.462 128.438 -4.976 1
1 48 . 13 1 1 A 6 6 GLU H H 6 7.963 8.742 -0.779 1
1 49 . 13 1 1 A 6 6 GLU HA H 6 4.182 4.763 -0.581 1
1 54 . 13 1 1 A 6 6 GLU CA C 6 53.572 53.400 0.172 1
1 55 . 13 1 1 A 6 6 GLU CB C 6 31.259 32.805 -1.546 1
1 57 . 13 1 1 A 6 6 GLU N N 6 127.826 124.109 3.717 1
1 58 . 13 1 1 A 7 7 PRO HA H 7 3.783 4.238 -0.455 1
1 65 . 13 1 1 A 7 7 PRO C C 7 177.433 177.370 0.063 1
1 66 . 13 1 1 A 7 7 PRO CA C 7 66.503 63.698 2.805 1
1 67 . 13 1 1 A 7 7 PRO CB C 7 31.785 31.289 0.496 1
1 70 . 13 1 1 A 8 8 GLY H H 8 7.537 8.409 -0.872 1
1 71 . 13 1 1 A 8 8 GLY HA2 H 8 3.896 3.085 0.811 1
1 72 . 13 1 1 A 8 8 GLY HA3 H 8 2.085 3.613 -1.528 1
1 73 . 13 1 1 A 8 8 GLY C C 8 174.730 172.884 1.846 1
1 74 . 13 1 1 A 8 8 GLY CA C 8 46.895 44.654 2.241 1
1 75 . 13 1 1 A 8 8 GLY N N 8 111.178 112.421 -1.243 1
1 76 . 13 1 1 A 9 9 HIS H H 9 9.112 7.292 1.820 1
1 77 . 13 1 1 A 9 9 HIS HA H 9 5.699 5.427 0.272 1
1 81 . 13 1 1 A 9 9 HIS C C 9 170.886 172.782 -1.896 1
1 82 . 13 1 1 A 9 9 HIS CA C 9 55.252 55.970 -0.718 1
1 83 . 13 1 1 A 9 9 HIS CB C 9 32.029 33.186 -1.157 1
1 85 . 13 1 1 A 9 9 HIS N N 9 122.719 118.658 4.061 1
1 86 . 13 1 1 A 10 10 LEU H H 10 9.637 8.702 0.935 1
1 87 . 13 1 1 A 10 10 LEU HA H 10 5.198 4.837 0.361 1
1 97 . 13 1 1 A 10 10 LEU C C 10 173.565 173.589 -0.024 1
1 98 . 13 1 1 A 10 10 LEU CA C 10 54.377 54.130 0.247 1
1 99 . 13 1 1 A 10 10 LEU CB C 10 46.916 46.019 0.897 1
1 103 . 13 1 1 A 10 10 LEU N N 10 130.516 127.091 3.425 1
1 104 . 13 1 1 A 11 11 HIS H H 11 9.237 9.041 0.196 1
1 105 . 13 1 1 A 11 11 HIS HA H 11 5.478 5.432 0.046 1
1 109 . 13 1 1 A 11 11 HIS C C 11 173.559 173.724 -0.165 1
1 110 . 13 1 1 A 11 11 HIS CA C 11 53.302 53.885 -0.583 1
1 111 . 13 1 1 A 11 11 HIS CB C 11 34.638 32.524 2.114 1
1 113 . 13 1 1 A 11 11 HIS N N 11 128.715 126.029 2.686 1
1 114 . 13 1 1 A 12 12 LEU H H 12 9.370 9.063 0.307 1
1 115 . 13 1 1 A 12 12 LEU HA H 12 4.863 5.124 -0.261 1
1 125 . 13 1 1 A 12 12 LEU CA C 12 54.243 53.427 0.816 1
1 126 . 13 1 1 A 12 12 LEU CB C 12 45.047 43.545 1.502 1
1 130 . 13 1 1 A 12 12 LEU N N 12 127.423 128.188 -0.765 1
1 131 . 13 1 1 A 13 13 VAL HA H 13 4.847 4.726 0.121 1
1 139 . 13 1 1 A 13 13 VAL CA C 13 60.665 59.739 0.926 1
1 140 . 13 1 1 A 13 13 VAL CB C 13 35.978 35.346 0.632 1
1 143 . 13 1 1 A 14 14 SER H H 14 8.220 8.642 -0.422 1
1 144 . 13 1 1 A 14 14 SER HA H 14 4.563 4.743 -0.180 1
1 147 . 13 1 1 A 14 14 SER CA C 14 58.588 57.565 1.023 1
1 148 . 13 1 1 A 14 14 SER CB C 14 65.442 63.051 2.391 1
1 149 . 13 1 1 A 14 14 SER N N 14 118.092 120.654 -2.562 1
1 150 . 13 1 1 A 15 15 LEU H H 15 8.965 8.330 0.635 1
1 151 . 13 1 1 A 15 15 LEU HA H 15 4.725 4.840 -0.115 1
1 161 . 13 1 1 A 15 15 LEU CA C 15 53.203 52.963 0.240 1
1 162 . 13 1 1 A 15 15 LEU CB C 15 42.658 41.741 0.917 1
1 166 . 13 1 1 A 15 15 LEU N N 15 124.969 125.890 -0.921 1
1 167 . 13 1 1 A 16 16 PRO HA H 16 4.326 4.280 0.046 1
1 174 . 13 1 1 A 16 16 PRO C C 16 177.551 177.349 0.202 1
1 175 . 13 1 1 A 16 16 PRO CA C 16 64.262 63.827 0.435 1
1 176 . 13 1 1 A 16 16 PRO CB C 16 32.855 31.372 1.483 1
1 179 . 13 1 1 A 17 17 GLY H H 17 8.597 8.596 0.001 1
1 180 . 13 1 1 A 17 17 GLY HA2 H 17 4.091 3.989 0.102 1
1 181 . 13 1 1 A 17 17 GLY HA3 H 17 3.773 4.001 -0.228 1
1 182 . 13 1 1 A 17 17 GLY C C 17 173.908 175.059 -1.151 1
1 183 . 13 1 1 A 17 17 GLY CA C 17 46.155 45.352 0.803 1
1 184 . 13 1 1 A 17 17 GLY N N 17 110.651 113.040 -2.389 1
1 185 . 13 1 1 A 18 18 LEU H H 18 7.998 7.891 0.107 1
1 186 . 13 1 1 A 18 18 LEU HA H 18 4.318 4.704 -0.386 1
1 192 . 13 1 1 A 18 18 LEU CA C 18 56.800 53.649 3.151 1
1 193 . 13 1 1 A 18 18 LEU CB C 18 43.502 43.444 0.058 1
1 195 . 13 1 1 A 18 18 LEU N N 18 122.006 121.945 0.061 1
1 196 . 13 1 1 A 19 19 ASP HA H 19 4.330 4.567 -0.237 1
1 199 . 13 1 1 A 19 19 ASP CA C 19 56.800 54.584 2.216 1
1 200 . 13 1 1 A 19 19 ASP CB C 19 43.498 41.203 2.295 1
1 201 . 13 1 1 A 20 20 GLN HA H 20 4.248 4.438 -0.190 1
1 208 . 13 1 1 A 20 20 GLN CA C 20 56.991 56.490 0.501 1
1 209 . 13 1 1 A 20 20 GLN CB C 20 31.005 29.840 1.165 1
1 212 . 13 1 1 A 21 21 GLN H H 21 7.823 8.655 -0.832 1
1 213 . 13 1 1 A 21 21 GLN HA H 21 4.478 4.742 -0.264 1
1 220 . 13 1 1 A 21 21 GLN C C 21 174.199 173.473 0.726 1
1 221 . 13 1 1 A 21 21 GLN CA C 21 56.424 54.925 1.499 1
1 222 . 13 1 1 A 21 21 GLN CB C 21 33.930 32.972 0.958 1
1 224 . 13 1 1 A 21 21 GLN N N 21 118.190 126.167 -7.977 1
1 226 . 13 1 1 A 22 22 ASP H H 22 8.549 8.591 -0.042 1
1 227 . 13 1 1 A 22 22 ASP HA H 22 4.708 4.809 -0.101 1
1 230 . 13 1 1 A 22 22 ASP C C 22 175.399 175.216 0.183 1
1 231 . 13 1 1 A 22 22 ASP CA C 22 54.415 53.072 1.343 1
1 232 . 13 1 1 A 22 22 ASP CB C 22 42.744 39.872 2.872 1
1 233 . 13 1 1 A 22 22 ASP N N 22 122.563 124.193 -1.630 1
1 234 . 13 1 1 A 23 23 ILE H H 23 8.681 7.551 1.130 1
1 235 . 13 1 1 A 23 23 ILE HA H 23 4.726 4.572 0.154 1
1 245 . 13 1 1 A 23 23 ILE C C 23 174.896 175.575 -0.679 1
1 246 . 13 1 1 A 23 23 ILE CA C 23 60.384 60.069 0.315 1
1 247 . 13 1 1 A 23 23 ILE CB C 23 42.843 39.069 3.774 1
1 251 . 13 1 1 A 23 23 ILE N N 23 121.642 117.249 4.393 1
1 252 . 13 1 1 A 24 24 ASN H H 24 8.224 8.847 -0.623 1
1 253 . 13 1 1 A 24 24 ASN HA H 24 5.252 6.108 -0.856 1
1 258 . 13 1 1 A 24 24 ASN C C 24 174.672 173.738 0.934 1
1 259 . 13 1 1 A 24 24 ASN CA C 24 54.262 52.454 1.808 1
1 260 . 13 1 1 A 24 24 ASN CB C 24 40.495 42.010 -1.515 1
1 261 . 13 1 1 A 24 24 ASN N N 24 124.418 120.564 3.854 1
1 263 . 13 1 1 A 25 25 ILE H H 25 9.453 9.266 0.187 1
1 264 . 13 1 1 A 25 25 ILE HA H 25 4.896 5.437 -0.541 1
1 274 . 13 1 1 A 25 25 ILE C C 25 173.645 175.136 -1.491 1
1 275 . 13 1 1 A 25 25 ILE CA C 25 61.580 60.805 0.775 1
1 276 . 13 1 1 A 25 25 ILE CB C 25 44.146 42.215 1.931 1
1 280 . 13 1 1 A 25 25 ILE N N 25 122.056 124.293 -2.237 1
1 281 . 13 1 1 A 26 26 HIS H H 26 9.716 9.301 0.415 1
1 282 . 13 1 1 A 26 26 HIS HA H 26 5.404 5.430 -0.026 1
1 286 . 13 1 1 A 26 26 HIS C C 26 175.078 174.325 0.753 1
1 287 . 13 1 1 A 26 26 HIS CA C 26 55.881 54.640 1.241 1
1 288 . 13 1 1 A 26 26 HIS CB C 26 32.829 31.247 1.582 1
1 290 . 13 1 1 A 26 26 HIS N N 26 126.720 125.794 0.926 1
1 291 . 13 1 1 A 27 27 ILE H H 27 9.935 9.501 0.434 1
1 292 . 13 1 1 A 27 27 ILE HA H 27 5.096 4.934 0.162 1
1 302 . 13 1 1 A 27 27 ILE C C 27 174.860 175.012 -0.152 1
1 303 . 13 1 1 A 27 27 ILE CA C 27 61.915 60.560 1.355 1
1 304 . 13 1 1 A 27 27 ILE CB C 27 40.667 38.692 1.975 1
1 308 . 13 1 1 A 27 27 ILE N N 27 123.352 125.407 -2.055 1
1 309 . 13 1 1 A 28 28 ARG H H 28 9.315 9.472 -0.157 1
1 310 . 13 1 1 A 28 28 ARG HA H 28 5.621 5.036 0.585 1
1 317 . 13 1 1 A 28 28 ARG C C 28 175.573 174.731 0.842 1
1 318 . 13 1 1 A 28 28 ARG CA C 28 54.904 55.218 -0.314 1
1 319 . 13 1 1 A 28 28 ARG CB C 28 33.782 31.227 2.555 1
1 322 . 13 1 1 A 28 28 ARG N N 28 127.731 127.901 -0.170 1
1 323 . 13 1 1 A 29 29 TYR H H 29 7.656 8.738 -1.082 1
1 324 . 13 1 1 A 29 29 TYR HA H 29 5.831 5.950 -0.119 1
1 331 . 13 1 1 A 29 29 TYR C C 29 173.770 174.983 -1.213 1
1 332 . 13 1 1 A 29 29 TYR CA C 29 55.377 55.656 -0.279 1
1 333 . 13 1 1 A 29 29 TYR CB C 29 43.035 41.202 1.833 1
1 338 . 13 1 1 A 29 29 TYR N N 29 117.229 121.530 -4.301 1
1 339 . 13 1 1 A 30 30 GLU H H 30 8.323 8.691 -0.368 1
1 340 . 13 1 1 A 30 30 GLU HA H 30 4.381 4.741 -0.360 1
1 345 . 13 1 1 A 30 30 GLU C C 30 173.976 174.701 -0.725 1
1 346 . 13 1 1 A 30 30 GLU CA C 30 55.235 54.945 0.290 1
1 347 . 13 1 1 A 30 30 GLU CB C 30 34.494 31.892 2.602 1
1 349 . 13 1 1 A 30 30 GLU N N 30 117.003 124.655 -7.652 1
1 350 . 13 1 1 A 31 31 VAL H H 31 8.957 8.460 0.497 1
1 351 . 13 1 1 A 31 31 VAL HA H 31 4.262 4.397 -0.135 1
1 359 . 13 1 1 A 31 31 VAL C C 31 175.045 174.682 0.363 1
1 360 . 13 1 1 A 31 31 VAL CA C 31 63.418 61.889 1.529 1
1 361 . 13 1 1 A 31 31 VAL CB C 31 32.211 32.345 -0.134 1
1 364 . 13 1 1 A 31 31 VAL N N 31 125.299 126.701 -1.402 1
1 365 . 13 1 1 A 32 32 ARG H H 32 8.550 8.266 0.284 1
1 366 . 13 1 1 A 32 32 ARG HA H 32 4.408 4.775 -0.367 1
1 373 . 13 1 1 A 32 32 ARG C C 32 173.222 174.089 -0.867 1
1 374 . 13 1 1 A 32 32 ARG CA C 32 55.048 53.879 1.169 1
1 375 . 13 1 1 A 32 32 ARG CB C 32 34.646 34.075 0.571 1
1 378 . 13 1 1 A 32 32 ARG N N 32 128.345 129.097 -0.752 1
1 379 . 13 1 1 A 33 33 GLN H H 33 8.148 8.578 -0.430 1
1 380 . 13 1 1 A 33 33 GLN HA H 33 4.697 5.190 -0.493 1
1 387 . 13 1 1 A 33 33 GLN C C 33 175.419 175.813 -0.394 1
1 388 . 13 1 1 A 33 33 GLN CA C 33 55.943 54.768 1.175 1
1 389 . 13 1 1 A 33 33 GLN CB C 33 31.679 30.308 1.371 1
1 391 . 13 1 1 A 33 33 GLN N N 33 116.088 121.920 -5.832 1
1 393 . 13 1 1 A 34 34 ASN H H 34 8.323 8.953 -0.630 1
1 394 . 13 1 1 A 34 34 ASN HA H 34 4.825 5.094 -0.269 1
1 399 . 13 1 1 A 34 34 ASN CA C 34 53.468 51.638 1.830 1
1 400 . 13 1 1 A 34 34 ASN CB C 34 41.559 39.712 1.847 1
1 401 . 13 1 1 A 34 34 ASN N N 34 121.088 124.059 -2.971 1
1 403 . 13 1 1 A 35 35 ALA HA H 35 4.099 4.028 0.071 1
1 407 . 13 1 1 A 35 35 ALA C C 35 178.472 179.146 -0.674 1
1 408 . 13 1 1 A 35 35 ALA CA C 35 55.591 54.503 1.088 1
1 409 . 13 1 1 A 35 35 ALA CB C 35 19.600 18.452 1.148 1
1 410 . 13 1 1 A 36 36 GLU H H 36 8.362 7.556 0.806 1
1 411 . 13 1 1 A 36 36 GLU HA H 36 4.263 4.212 0.051 1
1 416 . 13 1 1 A 36 36 GLU C C 36 177.727 177.383 0.344 1
1 417 . 13 1 1 A 36 36 GLU CA C 36 59.010 58.850 0.160 1
1 418 . 13 1 1 A 36 36 GLU CB C 36 31.059 30.695 0.364 1
1 420 . 13 1 1 A 36 36 GLU N N 36 116.669 118.022 -1.353 1
1 421 . 13 1 1 A 37 37 SER H H 37 8.338 8.143 0.195 1
1 422 . 13 1 1 A 37 37 SER HA H 37 4.515 4.650 -0.135 1
1 425 . 13 1 1 A 37 37 SER C C 37 175.134 174.604 0.530 1
1 426 . 13 1 1 A 37 37 SER CA C 37 59.568 58.163 1.405 1
1 427 . 13 1 1 A 37 37 SER CB C 37 65.114 63.870 1.244 1
1 428 . 13 1 1 A 37 37 SER N N 37 111.971 112.208 -0.237 1
1 429 . 13 1 1 A 38 38 GLY H H 38 8.098 7.702 0.396 1
1 430 . 13 1 1 A 38 38 GLY HA2 H 38 4.294 3.995 0.299 1
1 431 . 13 1 1 A 38 38 GLY HA3 H 38 3.975 3.995 -0.020 1
1 432 . 13 1 1 A 38 38 GLY C C 38 173.759 174.097 -0.338 1
1 433 . 13 1 1 A 38 38 GLY CA C 38 45.904 46.592 -0.688 1
1 434 . 13 1 1 A 38 38 GLY N N 38 111.508 109.966 1.542 1
1 435 . 13 1 1 A 39 39 ALA H H 39 8.450 8.096 0.354 1
1 436 . 13 1 1 A 39 39 ALA HA H 39 4.902 4.562 0.340 1
1 440 . 13 1 1 A 39 39 ALA C C 39 177.193 177.202 -0.009 1
1 441 . 13 1 1 A 39 39 ALA CA C 39 52.880 52.132 0.748 1
1 442 . 13 1 1 A 39 39 ALA CB C 39 20.714 19.729 0.985 1
1 443 . 13 1 1 A 39 39 ALA N N 39 124.210 126.215 -2.005 1
1 444 . 13 1 1 A 40 40 TYR H H 40 8.854 8.455 0.399 1
1 445 . 13 1 1 A 40 40 TYR HA H 40 4.796 5.276 -0.480 1
1 452 . 13 1 1 A 40 40 TYR C C 40 171.595 172.558 -0.963 1
1 453 . 13 1 1 A 40 40 TYR CA C 40 56.552 55.901 0.651 1
1 454 . 13 1 1 A 40 40 TYR CB C 40 41.319 40.791 0.528 1
1 459 . 13 1 1 A 40 40 TYR N N 40 118.580 117.014 1.566 1
1 460 . 13 1 1 A 41 41 VAL H H 41 9.275 8.212 1.063 1
1 461 . 13 1 1 A 41 41 VAL HA H 41 4.430 4.524 -0.094 1
1 469 . 13 1 1 A 41 41 VAL C C 41 174.098 173.490 0.608 1
1 470 . 13 1 1 A 41 41 VAL CA C 41 61.566 60.532 1.034 1
1 471 . 13 1 1 A 41 41 VAL CB C 41 33.852 34.660 -0.808 1
1 474 . 13 1 1 A 41 41 VAL N N 41 118.445 119.128 -0.683 1
1 475 . 13 1 1 A 42 42 HIS H H 42 8.789 8.734 0.055 1
1 476 . 13 1 1 A 42 42 HIS HA H 42 4.814 4.864 -0.050 1
1 480 . 13 1 1 A 42 42 HIS C C 42 172.353 173.125 -0.772 1
1 481 . 13 1 1 A 42 42 HIS CA C 42 56.537 55.427 1.110 1
1 482 . 13 1 1 A 42 42 HIS CB C 42 31.587 31.492 0.095 1
1 484 . 13 1 1 A 42 42 HIS N N 42 125.741 126.688 -0.947 1
1 485 . 13 1 1 A 43 43 PHE H H 43 8.604 8.702 -0.098 1
1 486 . 13 1 1 A 43 43 PHE HA H 43 4.933 5.346 -0.413 1
1 494 . 13 1 1 A 43 43 PHE C C 43 174.119 173.597 0.522 1
1 495 . 13 1 1 A 43 43 PHE CA C 43 56.591 55.968 0.623 1
1 496 . 13 1 1 A 43 43 PHE CB C 43 41.053 41.084 -0.031 1
1 502 . 13 1 1 A 43 43 PHE N N 43 125.631 125.333 0.298 1
1 503 . 13 1 1 A 44 44 ASP H H 44 9.322 9.028 0.294 1
1 504 . 13 1 1 A 44 44 ASP HA H 44 5.187 5.260 -0.073 1
1 507 . 13 1 1 A 44 44 ASP C C 44 175.076 173.997 1.079 1
1 508 . 13 1 1 A 44 44 ASP CA C 44 55.145 52.931 2.214 1
1 509 . 13 1 1 A 44 44 ASP CB C 44 45.197 44.878 0.319 1
1 510 . 13 1 1 A 44 44 ASP N N 44 121.184 122.542 -1.358 1
1 511 . 13 1 1 A 45 45 MET H H 45 9.110 8.875 0.235 1
1 512 . 13 1 1 A 45 45 MET HA H 45 5.765 5.917 -0.152 1
1 520 . 13 1 1 A 45 45 MET C C 45 173.254 174.235 -0.981 1
1 521 . 13 1 1 A 45 45 MET CA C 45 54.810 54.623 0.187 1
1 522 . 13 1 1 A 45 45 MET CB C 45 38.632 36.946 1.686 1
1 525 . 13 1 1 A 45 45 MET N N 45 121.976 122.826 -0.850 1
1 526 . 13 1 1 A 46 46 ASP H H 46 8.763 8.689 0.074 1
1 527 . 13 1 1 A 46 46 ASP HA H 46 4.373 4.790 -0.417 1
1 530 . 13 1 1 A 46 46 ASP C C 46 173.396 173.947 -0.551 1
1 531 . 13 1 1 A 46 46 ASP CA C 46 53.810 52.147 1.663 1
1 532 . 13 1 1 A 46 46 ASP CB C 46 44.722 43.724 0.998 1
1 533 . 13 1 1 A 46 46 ASP N N 46 121.797 121.916 -0.119 1
1 534 . 13 1 1 A 47 47 GLY H H 47 7.154 7.245 -0.091 1
1 535 . 13 1 1 A 47 47 GLY HA2 H 47 5.075 3.971 1.104 1
1 536 . 13 1 1 A 47 47 GLY HA3 H 47 3.927 4.175 -0.248 1
1 537 . 13 1 1 A 47 47 GLY C C 47 172.328 171.934 0.394 1
1 538 . 13 1 1 A 47 47 GLY CA C 47 45.820 44.634 1.186 1
1 539 . 13 1 1 A 47 47 GLY N N 47 105.470 105.135 0.335 1
1 540 . 13 1 1 A 48 48 GLU H H 48 9.100 8.638 0.462 1
1 541 . 13 1 1 A 48 48 GLU HA H 48 5.257 5.860 -0.603 1
1 546 . 13 1 1 A 48 48 GLU C C 48 175.019 174.470 0.549 1
1 547 . 13 1 1 A 48 48 GLU CA C 48 56.247 54.776 1.471 1
1 548 . 13 1 1 A 48 48 GLU CB C 48 35.076 34.254 0.822 1
1 550 . 13 1 1 A 48 48 GLU N N 48 119.799 119.096 0.703 1
1 551 . 13 1 1 A 49 49 ILE H H 49 7.945 8.713 -0.768 1
1 552 . 13 1 1 A 49 49 ILE HA H 49 4.540 4.406 0.134 1
1 562 . 13 1 1 A 49 49 ILE C C 49 176.382 175.908 0.474 1
1 563 . 13 1 1 A 49 49 ILE CA C 49 61.321 60.487 0.834 1
1 564 . 13 1 1 A 49 49 ILE CB C 49 41.847 40.285 1.562 1
1 568 . 13 1 1 A 49 49 ILE N N 49 120.718 120.706 0.012 1
1 569 . 13 1 1 A 50 50 ASP H H 50 10.048 9.317 0.731 1
1 570 . 13 1 1 A 50 50 ASP HA H 50 4.522 4.286 0.236 1
1 573 . 13 1 1 A 50 50 ASP C C 50 176.193 175.493 0.700 1
1 574 . 13 1 1 A 50 50 ASP CA C 50 56.872 55.110 1.762 1
1 575 . 13 1 1 A 50 50 ASP CB C 50 40.754 39.701 1.053 1
1 576 . 13 1 1 A 50 50 ASP N N 50 130.256 127.596 2.660 1
1 577 . 13 1 1 A 51 51 GLY H H 51 9.048 8.685 0.363 1
1 578 . 13 1 1 A 51 51 GLY HA2 H 51 4.126 3.974 0.152 1
1 579 . 13 1 1 A 51 51 GLY HA3 H 51 3.660 3.982 -0.322 1
1 580 . 13 1 1 A 51 51 GLY C C 51 173.935 174.044 -0.109 1
1 581 . 13 1 1 A 51 51 GLY CA C 51 46.194 46.467 -0.273 1
1 582 . 13 1 1 A 51 51 GLY N N 51 103.446 104.654 -1.208 1
1 583 . 13 1 1 A 52 52 LYS H H 52 7.905 7.866 0.039 1
1 584 . 13 1 1 A 52 52 LYS HA H 52 5.014 4.826 0.188 1
1 593 . 13 1 1 A 52 52 LYS CA C 52 53.809 53.320 0.489 1
1 594 . 13 1 1 A 52 52 LYS CB C 52 33.788 34.801 -1.013 1
1 598 . 13 1 1 A 52 52 LYS N N 52 122.692 120.107 2.585 1
1 599 . 13 1 1 A 53 53 PRO HA H 53 5.523 5.189 0.334 1
1 606 . 13 1 1 A 53 53 PRO C C 53 176.300 176.670 -0.370 1
1 607 . 13 1 1 A 53 53 PRO CA C 53 62.896 62.837 0.059 1
1 608 . 13 1 1 A 53 53 PRO CB C 53 33.920 31.924 1.996 1
1 611 . 13 1 1 A 54 54 PHE H H 54 8.643 8.741 -0.098 1
1 612 . 13 1 1 A 54 54 PHE HA H 54 4.907 5.543 -0.636 1
1 620 . 13 1 1 A 54 54 PHE C C 54 172.840 173.913 -1.073 1
1 621 . 13 1 1 A 54 54 PHE CA C 54 57.173 55.312 1.861 1
1 622 . 13 1 1 A 54 54 PHE CB C 54 43.620 42.562 1.058 1
1 628 . 13 1 1 A 54 54 PHE N N 54 117.436 119.187 -1.751 1
1 629 . 13 1 1 A 55 55 SER H H 55 8.009 9.055 -1.046 1
1 630 . 13 1 1 A 55 55 SER HA H 55 4.822 5.288 -0.466 1
1 633 . 13 1 1 A 55 55 SER C C 55 172.856 172.987 -0.131 1
1 634 . 13 1 1 A 55 55 SER CA C 55 58.238 56.931 1.307 1
1 635 . 13 1 1 A 55 55 SER CB C 55 66.163 65.122 1.041 1
1 636 . 13 1 1 A 55 55 SER N N 55 113.907 114.633 -0.726 1
1 637 . 13 1 1 A 56 56 ASP H H 56 9.593 9.208 0.385 1
1 638 . 13 1 1 A 56 56 ASP HA H 56 4.985 5.495 -0.510 1
1 641 . 13 1 1 A 56 56 ASP C C 56 175.049 174.675 0.374 1
1 642 . 13 1 1 A 56 56 ASP CA C 56 54.043 53.144 0.899 1
1 643 . 13 1 1 A 56 56 ASP CB C 56 46.425 44.718 1.707 1
1 644 . 13 1 1 A 56 56 ASP N N 56 125.145 126.097 -0.952 1
1 645 . 13 1 1 A 57 57 SER H H 57 10.207 8.774 1.433 1
1 646 . 13 1 1 A 57 57 SER HA H 57 5.383 5.384 -0.001 1
1 649 . 13 1 1 A 57 57 SER C C 57 172.452 173.545 -1.093 1
1 650 . 13 1 1 A 57 57 SER CA C 57 59.008 57.208 1.800 1
1 651 . 13 1 1 A 57 57 SER CB C 57 67.802 65.911 1.891 1
1 652 . 13 1 1 A 57 57 SER N N 57 115.172 115.575 -0.403 1
1 653 . 13 1 1 A 58 58 PHE H H 58 8.623 8.511 0.112 1
1 654 . 13 1 1 A 58 58 PHE HA H 58 4.904 5.561 -0.657 1
1 662 . 13 1 1 A 58 58 PHE C C 58 172.447 173.105 -0.658 1
1 663 . 13 1 1 A 58 58 PHE CA C 58 57.781 55.341 2.440 1
1 664 . 13 1 1 A 58 58 PHE CB C 58 40.736 43.013 -2.277 1
1 670 . 13 1 1 A 58 58 PHE N N 58 115.065 118.725 -3.660 1
1 671 . 13 1 1 A 59 59 GLU H H 59 8.721 8.897 -0.176 1
1 672 . 13 1 1 A 59 59 GLU HA H 59 5.595 5.330 0.265 1
1 677 . 13 1 1 A 59 59 GLU C C 59 175.836 175.331 0.505 1
1 678 . 13 1 1 A 59 59 GLU CA C 59 55.290 54.970 0.320 1
1 679 . 13 1 1 A 59 59 GLU CB C 59 34.345 33.636 0.709 1
1 681 . 13 1 1 A 59 59 GLU N N 59 118.122 119.170 -1.048 1
1 682 . 13 1 1 A 60 60 LEU H H 60 9.016 9.025 -0.009 1
1 683 . 13 1 1 A 60 60 LEU HA H 60 5.221 4.981 0.240 1
1 693 . 13 1 1 A 60 60 LEU CA C 60 52.275 51.136 1.139 1
1 694 . 13 1 1 A 60 60 LEU CB C 60 46.774 45.854 0.920 1
1 698 . 13 1 1 A 60 60 LEU N N 60 121.299 123.911 -2.612 1
1 699 . 13 1 1 A 61 61 PRO HA H 61 4.614 4.665 -0.051 1
1 706 . 13 1 1 A 61 61 PRO C C 61 176.316 177.802 -1.486 1
1 707 . 13 1 1 A 61 61 PRO CA C 61 62.719 62.460 0.259 1
1 708 . 13 1 1 A 61 61 PRO CB C 61 33.758 33.028 0.730 1
1 711 . 13 1 1 A 62 62 ARG H H 62 8.017 8.679 -0.662 1
1 712 . 13 1 1 A 62 62 ARG HA H 62 3.738 3.899 -0.161 1
1 719 . 13 1 1 A 62 62 ARG C C 62 176.976 177.876 -0.900 1
1 720 . 13 1 1 A 62 62 ARG CA C 62 60.653 59.179 1.474 1
1 721 . 13 1 1 A 62 62 ARG CB C 62 31.549 29.753 1.796 1
1 724 . 13 1 1 A 62 62 ARG N N 62 118.159 122.411 -4.252 1
1 725 . 13 1 1 A 63 63 ASP H H 63 8.665 7.838 0.827 1
1 726 . 13 1 1 A 63 63 ASP HA H 63 4.484 4.512 -0.028 1
1 729 . 13 1 1 A 63 63 ASP C C 63 177.483 176.942 0.541 1
1 730 . 13 1 1 A 63 63 ASP CA C 63 57.335 56.507 0.828 1
1 731 . 13 1 1 A 63 63 ASP CB C 63 41.410 40.962 0.448 1
1 732 . 13 1 1 A 63 63 ASP N N 63 113.726 119.891 -6.165 1
1 733 . 13 1 1 A 64 64 THR H H 64 7.553 7.590 -0.037 1
1 734 . 13 1 1 A 64 64 THR HA H 64 4.562 4.773 -0.211 1
1 739 . 13 1 1 A 64 64 THR C C 64 175.654 175.350 0.304 1
1 740 . 13 1 1 A 64 64 THR CA C 64 61.499 60.767 0.732 1
1 741 . 13 1 1 A 64 64 THR CB C 64 69.606 69.529 0.077 1
1 743 . 13 1 1 A 64 64 THR N N 64 107.855 106.502 1.353 1
1 744 . 13 1 1 A 65 65 ALA H H 65 7.406 7.473 -0.067 1
1 745 . 13 1 1 A 65 65 ALA HA H 65 4.012 4.194 -0.182 1
1 749 . 13 1 1 A 65 65 ALA C C 65 176.820 179.482 -2.662 1
1 750 . 13 1 1 A 65 65 ALA CA C 65 55.939 54.919 1.020 1
1 751 . 13 1 1 A 65 65 ALA CB C 65 19.454 18.067 1.387 1
1 752 . 13 1 1 A 65 65 ALA N N 65 123.777 125.881 -2.104 1
1 753 . 13 1 1 A 66 66 PHE H H 66 7.583 7.361 0.222 1
1 754 . 13 1 1 A 66 66 PHE HA H 66 4.381 4.418 -0.037 1
1 762 . 13 1 1 A 66 66 PHE C C 66 176.104 178.025 -1.921 1
1 763 . 13 1 1 A 66 66 PHE CA C 66 58.836 61.302 -2.466 1
1 764 . 13 1 1 A 66 66 PHE CB C 66 37.740 37.985 -0.245 1
1 770 . 13 1 1 A 66 66 PHE N N 66 110.346 115.967 -5.621 1
1 771 . 13 1 1 A 67 67 ASN H H 67 7.984 8.552 -0.568 1
1 772 . 13 1 1 A 67 67 ASN HA H 67 4.848 4.899 -0.051 1
1 777 . 13 1 1 A 67 67 ASN C C 67 175.700 176.947 -1.247 1
1 778 . 13 1 1 A 67 67 ASN CA C 67 53.469 54.663 -1.194 1
1 779 . 13 1 1 A 67 67 ASN CB C 67 38.836 38.175 0.661 1
1 780 . 13 1 1 A 67 67 ASN N N 67 120.591 118.794 1.797 1
1 782 . 13 1 1 A 68 68 PHE H H 68 7.218 8.009 -0.791 1
1 783 . 13 1 1 A 68 68 PHE HA H 68 4.054 4.310 -0.256 1
1 790 . 13 1 1 A 68 68 PHE C C 68 174.796 176.986 -2.190 1
1 791 . 13 1 1 A 68 68 PHE CA C 68 60.849 59.304 1.545 1
1 792 . 13 1 1 A 68 68 PHE CB C 68 40.263 37.260 3.003 1
1 797 . 13 1 1 A 68 68 PHE N N 68 115.915 118.637 -2.722 1
1 798 . 13 1 1 A 69 69 ALA H H 69 7.780 7.973 -0.193 1
1 799 . 13 1 1 A 69 69 ALA HA H 69 3.484 3.399 0.085 1
1 803 . 13 1 1 A 69 69 ALA C C 69 180.022 179.649 0.373 1
1 804 . 13 1 1 A 69 69 ALA CA C 69 56.283 54.563 1.720 1
1 805 . 13 1 1 A 69 69 ALA CB C 69 18.935 18.430 0.505 1
1 806 . 13 1 1 A 69 69 ALA N N 69 124.604 123.790 0.814 1
1 807 . 13 1 1 A 70 70 SER H H 70 7.852 7.806 0.046 1
1 808 . 13 1 1 A 70 70 SER HA H 70 4.061 4.031 0.030 1
1 811 . 13 1 1 A 70 70 SER C C 70 177.054 176.151 0.903 1
1 812 . 13 1 1 A 70 70 SER CA C 70 62.085 61.520 0.565 1
1 813 . 13 1 1 A 70 70 SER CB C 70 62.976 63.084 -0.108 1
1 814 . 13 1 1 A 70 70 SER N N 70 114.973 113.467 1.506 1
1 815 . 13 1 1 A 71 71 ASP H H 71 7.602 7.766 -0.164 1
1 816 . 13 1 1 A 71 71 ASP HA H 71 4.012 4.220 -0.208 1
1 819 . 13 1 1 A 71 71 ASP C C 71 177.086 178.001 -0.915 1
1 820 . 13 1 1 A 71 71 ASP CA C 71 58.501 56.869 1.632 1
1 821 . 13 1 1 A 71 71 ASP CB C 71 42.006 40.944 1.062 1
1 822 . 13 1 1 A 71 71 ASP N N 71 123.211 121.772 1.439 1
1 823 . 13 1 1 A 72 72 ALA H H 72 8.406 8.127 0.279 1
1 824 . 13 1 1 A 72 72 ALA HA H 72 3.671 4.186 -0.515 1
1 828 . 13 1 1 A 72 72 ALA C C 72 179.377 179.936 -0.559 1
1 829 . 13 1 1 A 72 72 ALA CA C 72 55.717 55.193 0.524 1
1 830 . 13 1 1 A 72 72 ALA CB C 72 18.658 18.283 0.375 1
1 831 . 13 1 1 A 72 72 ALA N N 72 119.793 121.309 -1.516 1
1 832 . 13 1 1 A 73 73 THR H H 73 7.631 7.760 -0.129 1
1 833 . 13 1 1 A 73 73 THR HA H 73 3.562 3.906 -0.344 1
1 838 . 13 1 1 A 73 73 THR C C 73 175.072 176.277 -1.205 1
1 839 . 13 1 1 A 73 73 THR CA C 73 68.525 66.601 1.924 1
1 840 . 13 1 1 A 73 73 THR CB C 73 69.564 68.377 1.187 1
1 842 . 13 1 1 A 73 73 THR N N 73 114.702 113.968 0.734 1
1 843 . 13 1 1 A 74 74 ARG H H 74 7.629 7.720 -0.091 1
1 844 . 13 1 1 A 74 74 ARG HA H 74 3.795 3.951 -0.156 1
1 851 . 13 1 1 A 74 74 ARG C C 74 176.832 178.540 -1.708 1
1 852 . 13 1 1 A 74 74 ARG CA C 74 60.580 58.691 1.889 1
1 853 . 13 1 1 A 74 74 ARG CB C 74 30.409 29.521 0.888 1
1 856 . 13 1 1 A 74 74 ARG N N 74 122.528 121.059 1.469 1
1 857 . 13 1 1 A 75 75 VAL H H 75 8.008 7.998 0.010 1
1 858 . 13 1 1 A 75 75 VAL HA H 75 3.439 3.546 -0.107 1
1 866 . 13 1 1 A 75 75 VAL C C 75 177.802 177.945 -0.143 1
1 867 . 13 1 1 A 75 75 VAL CA C 75 67.492 66.388 1.104 1
1 868 . 13 1 1 A 75 75 VAL CB C 75 32.220 31.615 0.605 1
1 871 . 13 1 1 A 75 75 VAL N N 75 120.044 119.968 0.076 1
1 872 . 13 1 1 A 76 76 ALA H H 76 8.092 7.958 0.134 1
1 873 . 13 1 1 A 76 76 ALA HA H 76 3.537 4.081 -0.544 1
1 877 . 13 1 1 A 76 76 ALA C C 76 180.078 180.146 -0.068 1
1 878 . 13 1 1 A 76 76 ALA CA C 76 56.194 55.706 0.488 1
1 879 . 13 1 1 A 76 76 ALA CB C 76 18.882 18.217 0.665 1
1 880 . 13 1 1 A 76 76 ALA N N 76 120.726 122.135 -1.409 1
1 881 . 13 1 1 A 77 77 GLN H H 77 8.432 8.313 0.119 1
1 882 . 13 1 1 A 77 77 GLN HA H 77 4.428 4.009 0.419 1
1 885 . 13 1 1 A 77 77 GLN CA C 77 58.987 58.238 0.749 1
1 887 . 13 1 1 A 77 77 GLN N N 77 118.235 117.272 0.963 1
1 888 . 13 1 1 A 78 78 LYS H H 78 7.655 7.603 0.052 1
1 889 . 13 1 1 A 78 78 LYS HA H 78 3.874 3.948 -0.074 1
1 898 . 13 1 1 A 78 78 LYS C C 78 177.044 177.821 -0.777 1
1 899 . 13 1 1 A 78 78 LYS CA C 78 59.393 58.761 0.632 1
1 900 . 13 1 1 A 78 78 LYS CB C 78 32.583 31.776 0.807 1
1 904 . 13 1 1 A 78 78 LYS N N 78 121.797 120.703 1.094 1
1 905 . 13 1 1 A 79 79 HIS H H 79 6.888 7.429 -0.541 1
1 906 . 13 1 1 A 79 79 HIS HA H 79 4.501 4.511 -0.010 1
1 909 . 13 1 1 A 79 79 HIS C C 79 174.191 174.813 -0.622 1
1 910 . 13 1 1 A 79 79 HIS CA C 79 56.166 56.124 0.042 1
1 911 . 13 1 1 A 79 79 HIS CB C 79 30.993 29.920 1.073 1
1 912 . 13 1 1 A 79 79 HIS N N 79 115.368 114.548 0.820 1
1 913 . 13 1 1 A 80 80 GLY H H 80 7.159 7.618 -0.459 1
1 914 . 13 1 1 A 80 80 GLY HA2 H 80 4.433 3.832 0.601 1
1 915 . 13 1 1 A 80 80 GLY HA3 H 80 3.541 3.832 -0.291 1
1 916 . 13 1 1 A 80 80 GLY C C 80 175.246 174.485 0.761 1
1 917 . 13 1 1 A 80 80 GLY CA C 80 45.823 46.702 -0.879 1
1 918 . 13 1 1 A 80 80 GLY N N 80 104.319 108.587 -4.268 1
1 919 . 13 1 1 A 81 81 LEU H H 81 7.962 7.793 0.169 1
1 920 . 13 1 1 A 81 81 LEU HA H 81 4.012 4.503 -0.491 1
1 930 . 13 1 1 A 81 81 LEU CA C 81 56.383 52.768 3.615 1
1 931 . 13 1 1 A 81 81 LEU CB C 81 43.506 44.203 -0.697 1
1 935 . 13 1 1 A 81 81 LEU N N 81 124.945 120.759 4.186 1
1 936 . 13 1 1 A 83 83 PRO HA H 83 4.248 3.942 0.306 1
1 943 . 13 1 1 A 83 83 PRO CA C 83 65.606 64.842 0.764 1
1 944 . 13 1 1 A 83 83 PRO CB C 83 32.805 31.384 1.421 1
1 947 . 13 1 1 A 84 84 LYS HA H 84 4.132 3.962 0.170 1
1 956 . 13 1 1 A 84 84 LYS CA C 84 59.351 59.423 -0.072 1
1 957 . 13 1 1 A 84 84 LYS CB C 84 33.109 32.178 0.931 1
1 961 . 13 1 1 A 85 85 PHE HA H 85 3.941 4.399 -0.458 1
1 964 . 13 1 1 A 85 85 PHE CA C 85 59.693 59.360 0.333 1
1 965 . 13 1 1 A 85 85 PHE CB C 85 39.968 37.674 2.294 1
1 966 . 13 1 1 A 86 86 GLY HA2 H 86 3.721 3.530 0.191 1
1 967 . 13 1 1 A 86 86 GLY HA3 H 86 3.659 3.713 -0.054 1
1 968 . 13 1 1 A 86 86 GLY CA C 86 44.471 46.787 -2.316 1
1 969 . 13 1 1 A 87 87 ALA HA H 87 4.274 4.228 0.046 1
1 973 . 13 1 1 A 87 87 ALA CA C 87 53.390 51.899 1.491 1
1 974 . 13 1 1 A 87 87 ALA CB C 87 20.262 19.729 0.533 1
1 975 . 13 1 1 A 88 88 ILE HA H 88 4.015 3.713 0.302 1
1 985 . 13 1 1 A 88 88 ILE CA C 88 63.697 63.961 -0.264 1
1 986 . 13 1 1 A 88 88 ILE CB C 88 38.931 35.783 3.148 1
1 990 . 13 1 1 A 89 89 THR HA H 89 4.224 4.038 0.186 1
1 994 . 13 1 1 A 89 89 THR CA C 89 63.088 64.546 -1.458 1
1 996 . 13 1 1 A 90 90 ARG HA H 90 4.105 4.085 0.020 1
1 1003 . 13 1 1 A 90 90 ARG CA C 90 58.412 58.327 0.085 1
1 1004 . 13 1 1 A 90 90 ARG CB C 90 30.907 29.684 1.223 1
1 1007 . 13 1 1 A 91 91 VAL HA H 91 4.047 4.496 -0.449 1
1 1015 . 13 1 1 A 91 91 VAL C C 91 175.627 174.286 1.341 1
1 1016 . 13 1 1 A 91 91 VAL CA C 91 62.923 60.604 2.319 1
1 1017 . 13 1 1 A 91 91 VAL CB C 91 32.060 31.645 0.415 1
1 1020 . 13 1 1 A 92 92 HIS HA H 92 4.567 4.696 -0.129 1
1 1023 . 13 1 1 A 92 92 HIS CA C 92 57.021 54.711 2.310 1
1 1024 . 13 1 1 A 92 92 HIS CB C 92 31.579 28.846 2.733 1
1 1025 . 13 1 1 A 93 93 LYS H H 93 8.490 7.908 0.582 1
1 1026 . 13 1 1 A 93 93 LYS HA H 93 4.149 3.868 0.281 1
1 1035 . 13 1 1 A 93 93 LYS CA C 93 58.472 57.708 0.764 1
1 1036 . 13 1 1 A 93 93 LYS CB C 93 32.632 29.421 3.211 1
1 1040 . 13 1 1 A 93 93 LYS N N 93 123.001 114.402 8.599 1
1 1041 . 13 1 1 A 94 94 GLU HA H 94 4.265 4.218 0.047 1
1 1046 . 13 1 1 A 94 94 GLU CA C 94 57.682 57.928 -0.246 1
1 1047 . 13 1 1 A 94 94 GLU CB C 94 30.952 28.281 2.671 1
1 1049 . 13 1 1 A 95 95 TYR HA H 95 4.205 4.252 -0.047 1
1 1056 . 13 1 1 A 95 95 TYR C C 95 176.555 177.323 -0.768 1
1 1057 . 13 1 1 A 95 95 TYR CA C 95 60.582 61.410 -0.828 1
1 1058 . 13 1 1 A 95 95 TYR CB C 95 39.000 38.836 0.164 1
1 1063 . 13 1 1 A 96 96 ASP H H 96 8.104 8.248 -0.144 1
1 1064 . 13 1 1 A 96 96 ASP HA H 96 4.252 4.046 0.206 1
1 1067 . 13 1 1 A 96 96 ASP CA C 96 58.583 57.190 1.393 1
1 1068 . 13 1 1 A 96 96 ASP CB C 96 41.058 40.408 0.650 1
1 1069 . 13 1 1 A 96 96 ASP N N 96 120.068 119.502 0.566 1
1 1070 . 13 1 1 A 97 97 ALA HA H 97 3.964 4.139 -0.175 1
1 1074 . 13 1 1 A 97 97 ALA C C 97 179.912 179.477 0.435 1
1 1075 . 13 1 1 A 97 97 ALA CA C 97 55.582 55.278 0.304 1
1 1076 . 13 1 1 A 97 97 ALA CB C 97 18.849 18.648 0.201 1
1 1077 . 13 1 1 A 98 98 MET H H 98 7.422 8.097 -0.675 1
1 1078 . 13 1 1 A 98 98 MET HA H 98 3.847 4.485 -0.638 1
1 1083 . 13 1 1 A 98 98 MET C C 98 177.185 178.247 -1.062 1
1 1084 . 13 1 1 A 98 98 MET CA C 98 59.943 57.955 1.988 1
1 1085 . 13 1 1 A 98 98 MET CB C 98 32.583 32.575 0.008 1
1 1087 . 13 1 1 A 98 98 MET N N 98 120.651 116.889 3.762 1
1 1088 . 13 1 1 A 99 99 PHE H H 99 8.652 8.443 0.209 1
1 1089 . 13 1 1 A 99 99 PHE HA H 99 4.150 4.024 0.126 1
1 1097 . 13 1 1 A 99 99 PHE C C 99 177.911 177.542 0.369 1
1 1098 . 13 1 1 A 99 99 PHE CA C 99 61.936 61.765 0.171 1
1 1099 . 13 1 1 A 99 99 PHE CB C 99 39.302 39.090 0.212 1
1 1105 . 13 1 1 A 99 99 PHE N N 99 119.857 122.485 -2.628 1
1 1106 . 13 1 1 A 100 100 GLU H H 100 8.232 7.990 0.242 1
1 1107 . 13 1 1 A 100 100 GLU HA H 100 4.094 4.192 -0.098 1
1 1112 . 13 1 1 A 100 100 GLU CA C 100 59.579 59.296 0.283 1
1 1113 . 13 1 1 A 100 100 GLU CB C 100 29.878 28.923 0.955 1
1 1115 . 13 1 1 A 100 100 GLU N N 100 117.666 118.754 -1.088 1
1 1116 . 13 1 1 A 101 101 ASP HA H 101 4.568 4.521 0.047 1
1 1119 . 13 1 1 A 101 101 ASP C C 101 177.667 178.990 -1.323 1
1 1120 . 13 1 1 A 101 101 ASP CA C 101 58.940 57.232 1.708 1
1 1121 . 13 1 1 A 101 101 ASP CB C 101 43.462 40.867 2.595 1
1 1122 . 13 1 1 A 102 102 ILE H H 102 8.370 8.204 0.166 1
1 1123 . 13 1 1 A 102 102 ILE HA H 102 3.319 3.651 -0.332 1
1 1133 . 13 1 1 A 102 102 ILE C C 102 177.347 178.526 -1.179 1
1 1134 . 13 1 1 A 102 102 ILE CA C 102 67.567 65.543 2.024 1
1 1135 . 13 1 1 A 102 102 ILE CB C 102 38.766 37.544 1.222 1
1 1139 . 13 1 1 A 102 102 ILE N N 102 118.449 120.479 -2.030 1
1 1140 . 13 1 1 A 103 103 ARG H H 103 8.450 8.302 0.148 1
1 1141 . 13 1 1 A 103 103 ARG HA H 103 3.834 4.217 -0.383 1
1 1148 . 13 1 1 A 103 103 ARG C C 103 178.760 178.396 0.364 1
1 1149 . 13 1 1 A 103 103 ARG CA C 103 61.318 58.678 2.640 1
1 1150 . 13 1 1 A 103 103 ARG CB C 103 30.978 29.988 0.990 1
1 1153 . 13 1 1 A 103 103 ARG N N 103 118.941 120.866 -1.925 1
1 1154 . 13 1 1 A 104 104 ALA H H 104 8.289 7.815 0.474 1
1 1155 . 13 1 1 A 104 104 ALA HA H 104 4.072 4.146 -0.074 1
1 1159 . 13 1 1 A 104 104 ALA C C 104 181.340 179.524 1.816 1
1 1160 . 13 1 1 A 104 104 ALA CA C 104 56.021 55.115 0.906 1
1 1161 . 13 1 1 A 104 104 ALA CB C 104 18.962 18.272 0.690 1
1 1162 . 13 1 1 A 104 104 ALA N N 104 121.028 122.496 -1.468 1
1 1163 . 13 1 1 A 105 105 LYS H H 105 8.231 8.197 0.034 1
1 1164 . 13 1 1 A 105 105 LYS HA H 105 4.013 4.008 0.005 1
1 1173 . 13 1 1 A 105 105 LYS C C 105 179.414 179.411 0.003 1
1 1174 . 13 1 1 A 105 105 LYS CA C 105 60.025 59.452 0.573 1
1 1175 . 13 1 1 A 105 105 LYS CB C 105 34.341 32.668 1.673 1
1 1179 . 13 1 1 A 105 105 LYS N N 105 118.789 117.800 0.989 1
1 1180 . 13 1 1 A 106 106 LEU H H 106 8.289 8.434 -0.145 1
1 1181 . 13 1 1 A 106 106 LEU HA H 106 4.043 4.038 0.005 1
1 1191 . 13 1 1 A 106 106 LEU C C 106 178.091 178.380 -0.289 1
1 1192 . 13 1 1 A 106 106 LEU CA C 106 57.469 57.603 -0.134 1
1 1193 . 13 1 1 A 106 106 LEU CB C 106 43.248 41.404 1.844 1
1 1197 . 13 1 1 A 106 106 LEU N N 106 119.086 119.511 -0.425 1
1 1198 . 13 1 1 A 107 107 HIS H H 107 7.861 7.726 0.135 1
1 1199 . 13 1 1 A 107 107 HIS HA H 107 4.428 4.457 -0.029 1
1 1203 . 13 1 1 A 107 107 HIS C C 107 175.263 174.635 0.628 1
1 1204 . 13 1 1 A 107 107 HIS CA C 107 58.218 58.231 -0.013 1
1 1205 . 13 1 1 A 107 107 HIS CB C 107 30.819 30.506 0.313 1
1 1207 . 13 1 1 A 107 107 HIS N N 107 118.172 119.113 -0.941 1
1 1208 . 13 1 1 A 108 108 ALA H H 108 7.505 7.681 -0.176 1
1 1209 . 13 1 1 A 108 108 ALA HA H 108 4.218 3.873 0.345 1
1 1213 . 13 1 1 A 108 108 ALA C C 108 179.374 175.600 3.774 1
1 1214 . 13 1 1 A 108 108 ALA CA C 108 53.303 53.224 0.079 1
1 1215 . 13 1 1 A 108 108 ALA CB C 108 20.005 17.308 2.697 1
1 1216 . 13 1 1 A 108 108 ALA N N 108 121.363 120.682 0.681 1
1 1217 . 13 1 1 A 109 109 HIS H H 109 7.987 7.808 0.179 1
1 1218 . 13 1 1 A 109 109 HIS HA H 109 4.770 5.030 -0.260 1
1 1221 . 13 1 1 A 109 109 HIS CA C 109 55.217 53.767 1.450 1
1 1222 . 13 1 1 A 109 109 HIS CB C 109 31.250 33.309 -2.059 1
1 1223 . 13 1 1 A 109 109 HIS N N 109 120.133 116.162 3.971 1
1 1224 . 13 1 1 A 110 110 PRO HA H 110 4.368 4.326 0.042 1
1 1231 . 13 1 1 A 110 110 PRO C C 110 177.350 176.310 1.040 1
1 1232 . 13 1 1 A 110 110 PRO CA C 110 64.430 63.948 0.482 1
1 1233 . 13 1 1 A 110 110 PRO CB C 110 32.912 32.358 0.554 1
1 1236 . 13 1 1 A 111 111 GLY H H 111 8.492 8.332 0.160 1
1 1237 . 13 1 1 A 111 111 GLY HA2 H 111 3.925 4.190 -0.265 1
1 1238 . 13 1 1 A 111 111 GLY HA3 H 111 3.925 4.194 -0.269 1
1 1239 . 13 1 1 A 111 111 GLY C C 111 173.681 173.384 0.297 1
1 1240 . 13 1 1 A 111 111 GLY CA C 111 45.831 45.940 -0.109 1
1 1241 . 13 1 1 A 111 111 GLY N N 111 109.622 108.365 1.257 1
1 1242 . 13 1 1 A 112 112 GLU H H 112 8.139 8.143 -0.004 1
1 1243 . 13 1 1 A 112 112 GLU HA H 112 4.573 4.794 -0.221 1
1 1248 . 13 1 1 A 112 112 GLU CA C 112 55.099 52.896 2.203 1
1 1249 . 13 1 1 A 112 112 GLU CB C 112 30.664 30.419 0.245 1
1 1251 . 13 1 1 A 112 112 GLU N N 112 121.771 121.523 0.248 1
1 1252 . 13 1 1 A 113 113 PRO HA H 113 4.411 4.773 -0.362 1
1 1259 . 13 1 1 A 113 113 PRO C C 113 176.943 176.092 0.851 1
1 1260 . 13 1 1 A 113 113 PRO CA C 113 63.990 62.773 1.217 1
1 1261 . 13 1 1 A 113 113 PRO CB C 113 32.817 30.486 2.331 1
1 1264 . 13 1 1 A 114 114 VAL H H 114 8.226 8.125 0.101 1
1 1265 . 13 1 1 A 114 114 VAL HA H 114 4.036 4.473 -0.437 1
1 1273 . 13 1 1 A 114 114 VAL C C 114 175.708 176.650 -0.942 1
1 1274 . 13 1 1 A 114 114 VAL CA C 114 63.021 61.977 1.044 1
1 1275 . 13 1 1 A 114 114 VAL CB C 114 33.996 31.978 2.018 1
1 1278 . 13 1 1 A 114 114 VAL N N 114 120.138 122.983 -2.845 1
1 1279 . 13 1 1 A 115 115 ASP H H 115 8.313 8.677 -0.364 1
1 1280 . 13 1 1 A 115 115 ASP HA H 115 4.587 4.854 -0.267 1
1 1283 . 13 1 1 A 115 115 ASP C C 115 176.361 176.740 -0.379 1
1 1284 . 13 1 1 A 115 115 ASP CA C 115 54.760 53.558 1.202 1
1 1285 . 13 1 1 A 115 115 ASP CB C 115 41.888 40.129 1.759 1
1 1286 . 13 1 1 A 115 115 ASP N N 115 123.840 125.929 -2.089 1
1 1287 . 13 1 1 A 116 116 LEU H H 116 8.202 8.073 0.129 1
1 1288 . 13 1 1 A 116 116 LEU HA H 116 4.168 3.917 0.251 1
1 1298 . 13 1 1 A 116 116 LEU C C 116 177.811 178.749 -0.938 1
1 1299 . 13 1 1 A 116 116 LEU CA C 116 56.696 57.800 -1.104 1
1 1300 . 13 1 1 A 116 116 LEU CB C 116 43.084 41.242 1.842 1
1 1304 . 13 1 1 A 116 116 LEU N N 116 123.362 120.261 3.101 1
1 1305 . 13 1 1 A 117 117 GLU H H 117 8.311 8.177 0.134 1
1 1306 . 13 1 1 A 117 117 GLU HA H 117 4.141 4.135 0.006 1
1 1311 . 13 1 1 A 117 117 GLU C C 117 176.687 178.473 -1.786 1
1 1312 . 13 1 1 A 117 117 GLU CA C 117 57.937 59.006 -1.069 1
1 1313 . 13 1 1 A 117 117 GLU CB C 117 30.685 29.276 1.409 1
1 1315 . 13 1 1 A 117 117 GLU N N 117 119.881 118.818 1.063 1
1 1316 . 13 1 1 A 118 118 ARG H H 118 7.930 7.838 0.092 1
1 1317 . 13 1 1 A 118 118 ARG HA H 118 4.223 4.160 0.063 1
1 1324 . 13 1 1 A 118 118 ARG C C 118 176.125 176.700 -0.575 1
1 1325 . 13 1 1 A 118 118 ARG CA C 118 57.133 58.386 -1.253 1
1 1326 . 13 1 1 A 118 118 ARG CB C 118 31.445 29.835 1.610 1
1 1329 . 13 1 1 A 118 118 ARG N N 118 120.580 118.781 1.799 1
1 1330 . 13 1 1 A 119 119 ILE H H 119 7.926 7.519 0.407 1
1 1331 . 13 1 1 A 119 119 ILE HA H 119 4.041 4.298 -0.257 1
1 1341 . 13 1 1 A 119 119 ILE C C 119 176.166 176.430 -0.264 1
1 1342 . 13 1 1 A 119 119 ILE CA C 119 62.131 60.812 1.319 1
1 1343 . 13 1 1 A 119 119 ILE CB C 119 39.327 36.359 2.968 1
1 1347 . 13 1 1 A 119 119 ILE N N 119 121.721 118.013 3.708 1
1 1348 . 13 1 1 A 120 120 ILE H H 120 8.152 8.507 -0.355 1
1 1349 . 13 1 1 A 120 120 ILE HA H 120 4.038 3.771 0.267 1
1 1359 . 13 1 1 A 120 120 ILE C C 120 175.922 175.296 0.626 1
1 1360 . 13 1 1 A 120 120 ILE CA C 120 61.812 63.423 -1.611 1
1 1361 . 13 1 1 A 120 120 ILE CB C 120 39.091 36.053 3.038 1
1 1365 . 13 1 1 A 120 120 ILE N N 120 125.274 124.619 0.655 1
1 1366 . 13 1 1 A 121 121 ARG H H 121 8.266 7.693 0.573 1
1 1367 . 13 1 1 A 121 121 ARG HA H 121 4.293 4.324 -0.031 1
1 1374 . 13 1 1 A 121 121 ARG CA C 121 56.489 55.755 0.734 1
1 1375 . 13 1 1 A 121 121 ARG CB C 121 31.785 30.785 1.000 1
1 1378 . 13 1 1 A 121 121 ARG N N 121 125.412 124.147 1.265 1
1 1379 . 13 1 1 A 122 122 HIS HA H 122 5.066 4.765 0.301 1
1 1383 . 13 1 1 A 122 122 HIS C C 122 175.210 173.977 1.233 1
1 1384 . 13 1 1 A 122 122 HIS CA C 122 56.554 56.885 -0.331 1
1 1385 . 13 1 1 A 122 122 HIS CB C 122 32.905 30.844 2.061 1
1 1387 . 13 1 1 A 123 123 GLU H H 123 8.936 8.287 0.649 1
1 1388 . 13 1 1 A 123 123 GLU N N 123 121.008 126.425 -5.417 1
1 1389 . 13 1 1 A 124 124 GLY HA2 H 124 3.984 4.236 -0.252 1
1 1390 . 13 1 1 A 124 124 GLY HA3 H 124 3.913 4.260 -0.347 1
1 1391 . 13 1 1 A 124 124 GLY C C 124 173.408 173.328 0.080 1
1 1392 . 13 1 1 A 124 124 GLY CA C 124 46.124 45.634 0.490 1
1 10 . 14 1 1 A 2 2 GLY H H 2 8.402 8.192 0.210 1
1 11 . 14 1 1 A 2 2 GLY HA2 H 2 3.903 4.252 -0.349 1
1 12 . 14 1 1 A 2 2 GLY HA3 H 2 3.903 4.315 -0.412 1
1 13 . 14 1 1 A 2 2 GLY C C 2 172.919 173.918 -0.999 1
1 14 . 14 1 1 A 2 2 GLY CA C 2 45.814 45.634 0.180 1
1 15 . 14 1 1 A 2 2 GLY N N 2 110.769 109.353 1.416 1
1 16 . 14 1 1 A 3 3 HIS H H 3 8.198 7.899 0.299 1
1 17 . 14 1 1 A 3 3 HIS N N 3 120.514 115.415 5.099 1
1 18 . 14 1 1 A 4 4 MET HA H 4 4.688 4.852 -0.164 1
1 26 . 14 1 1 A 4 4 MET CA C 4 56.462 55.212 1.250 1
1 27 . 14 1 1 A 4 4 MET CB C 4 35.293 34.639 0.654 1
1 30 . 14 1 1 A 5 5 PHE H H 5 8.690 9.375 -0.685 1
1 31 . 14 1 1 A 5 5 PHE HA H 5 5.254 5.213 0.041 1
1 39 . 14 1 1 A 5 5 PHE C C 5 173.490 174.405 -0.915 1
1 40 . 14 1 1 A 5 5 PHE CA C 5 58.548 57.750 0.798 1
1 41 . 14 1 1 A 5 5 PHE CB C 5 43.312 42.047 1.265 1
1 47 . 14 1 1 A 5 5 PHE N N 5 123.462 128.725 -5.263 1
1 48 . 14 1 1 A 6 6 GLU H H 6 7.963 8.686 -0.723 1
1 49 . 14 1 1 A 6 6 GLU HA H 6 4.182 4.568 -0.386 1
1 54 . 14 1 1 A 6 6 GLU CA C 6 53.572 53.980 -0.408 1
1 55 . 14 1 1 A 6 6 GLU CB C 6 31.259 32.567 -1.308 1
1 57 . 14 1 1 A 6 6 GLU N N 6 127.826 123.766 4.060 1
1 58 . 14 1 1 A 7 7 PRO HA H 7 3.783 4.528 -0.745 1
1 65 . 14 1 1 A 7 7 PRO C C 7 177.433 177.134 0.299 1
1 66 . 14 1 1 A 7 7 PRO CA C 7 66.503 63.199 3.304 1
1 67 . 14 1 1 A 7 7 PRO CB C 7 31.785 30.495 1.290 1
1 70 . 14 1 1 A 8 8 GLY H H 8 7.537 7.679 -0.142 1
1 71 . 14 1 1 A 8 8 GLY HA2 H 8 3.896 3.242 0.654 1
1 72 . 14 1 1 A 8 8 GLY HA3 H 8 2.085 3.688 -1.603 1
1 73 . 14 1 1 A 8 8 GLY C C 8 174.730 172.987 1.743 1
1 74 . 14 1 1 A 8 8 GLY CA C 8 46.895 44.568 2.327 1
1 75 . 14 1 1 A 8 8 GLY N N 8 111.178 112.363 -1.185 1
1 76 . 14 1 1 A 9 9 HIS H H 9 9.112 7.419 1.693 1
1 77 . 14 1 1 A 9 9 HIS HA H 9 5.699 5.279 0.420 1
1 81 . 14 1 1 A 9 9 HIS C C 9 170.886 172.948 -2.062 1
1 82 . 14 1 1 A 9 9 HIS CA C 9 55.252 56.186 -0.934 1
1 83 . 14 1 1 A 9 9 HIS CB C 9 32.029 32.710 -0.681 1
1 85 . 14 1 1 A 9 9 HIS N N 9 122.719 118.581 4.138 1
1 86 . 14 1 1 A 10 10 LEU H H 10 9.637 8.369 1.268 1
1 87 . 14 1 1 A 10 10 LEU HA H 10 5.198 5.202 -0.004 1
1 97 . 14 1 1 A 10 10 LEU C C 10 173.565 173.600 -0.035 1
1 98 . 14 1 1 A 10 10 LEU CA C 10 54.377 54.500 -0.123 1
1 99 . 14 1 1 A 10 10 LEU CB C 10 46.916 46.060 0.856 1
1 103 . 14 1 1 A 10 10 LEU N N 10 130.516 124.830 5.686 1
1 104 . 14 1 1 A 11 11 HIS H H 11 9.237 9.029 0.208 1
1 105 . 14 1 1 A 11 11 HIS HA H 11 5.478 5.716 -0.238 1
1 109 . 14 1 1 A 11 11 HIS C C 11 173.559 173.407 0.152 1
1 110 . 14 1 1 A 11 11 HIS CA C 11 53.302 53.753 -0.451 1
1 111 . 14 1 1 A 11 11 HIS CB C 11 34.638 33.118 1.520 1
1 113 . 14 1 1 A 11 11 HIS N N 11 128.715 126.009 2.706 1
1 114 . 14 1 1 A 12 12 LEU H H 12 9.370 9.223 0.147 1
1 115 . 14 1 1 A 12 12 LEU HA H 12 4.863 5.117 -0.254 1
1 125 . 14 1 1 A 12 12 LEU CA C 12 54.243 53.306 0.937 1
1 126 . 14 1 1 A 12 12 LEU CB C 12 45.047 43.569 1.478 1
1 130 . 14 1 1 A 12 12 LEU N N 12 127.423 127.503 -0.080 1
1 131 . 14 1 1 A 13 13 VAL HA H 13 4.847 4.449 0.398 1
1 139 . 14 1 1 A 13 13 VAL CA C 13 60.665 61.877 -1.212 1
1 140 . 14 1 1 A 13 13 VAL CB C 13 35.978 33.555 2.423 1
1 143 . 14 1 1 A 14 14 SER H H 14 8.220 8.901 -0.681 1
1 144 . 14 1 1 A 14 14 SER HA H 14 4.563 4.801 -0.238 1
1 147 . 14 1 1 A 14 14 SER CA C 14 58.588 56.859 1.729 1
1 148 . 14 1 1 A 14 14 SER CB C 14 65.442 63.760 1.682 1
1 149 . 14 1 1 A 14 14 SER N N 14 118.092 123.543 -5.451 1
1 150 . 14 1 1 A 15 15 LEU H H 15 8.965 8.695 0.270 1
1 151 . 14 1 1 A 15 15 LEU HA H 15 4.725 4.811 -0.086 1
1 161 . 14 1 1 A 15 15 LEU CA C 15 53.203 53.143 0.060 1
1 162 . 14 1 1 A 15 15 LEU CB C 15 42.658 41.664 0.994 1
1 166 . 14 1 1 A 15 15 LEU N N 15 124.969 126.273 -1.304 1
1 167 . 14 1 1 A 16 16 PRO HA H 16 4.326 4.245 0.081 1
1 174 . 14 1 1 A 16 16 PRO C C 16 177.551 177.872 -0.321 1
1 175 . 14 1 1 A 16 16 PRO CA C 16 64.262 65.051 -0.789 1
1 176 . 14 1 1 A 16 16 PRO CB C 16 32.855 31.944 0.911 1
1 179 . 14 1 1 A 17 17 GLY H H 17 8.597 8.405 0.192 1
1 180 . 14 1 1 A 17 17 GLY HA2 H 17 4.091 3.867 0.224 1
1 181 . 14 1 1 A 17 17 GLY HA3 H 17 3.773 3.869 -0.096 1
1 182 . 14 1 1 A 17 17 GLY C C 17 173.908 174.921 -1.013 1
1 183 . 14 1 1 A 17 17 GLY CA C 17 46.155 47.227 -1.072 1
1 184 . 14 1 1 A 17 17 GLY N N 17 110.651 109.901 0.750 1
1 185 . 14 1 1 A 18 18 LEU H H 18 7.998 8.180 -0.182 1
1 186 . 14 1 1 A 18 18 LEU HA H 18 4.318 4.413 -0.095 1
1 192 . 14 1 1 A 18 18 LEU CA C 18 56.800 54.329 2.471 1
1 193 . 14 1 1 A 18 18 LEU CB C 18 43.502 41.884 1.618 1
1 195 . 14 1 1 A 18 18 LEU N N 18 122.006 126.160 -4.154 1
1 196 . 14 1 1 A 19 19 ASP HA H 19 4.330 4.194 0.136 1
1 199 . 14 1 1 A 19 19 ASP CA C 19 56.800 55.369 1.431 1
1 200 . 14 1 1 A 19 19 ASP CB C 19 43.498 39.042 4.456 1
1 201 . 14 1 1 A 20 20 GLN HA H 20 4.248 4.548 -0.300 1
1 208 . 14 1 1 A 20 20 GLN CA C 20 56.991 55.528 1.463 1
1 209 . 14 1 1 A 20 20 GLN CB C 20 31.005 30.742 0.263 1
1 212 . 14 1 1 A 21 21 GLN H H 21 7.823 8.286 -0.463 1
1 213 . 14 1 1 A 21 21 GLN HA H 21 4.478 4.963 -0.485 1
1 220 . 14 1 1 A 21 21 GLN C C 21 174.199 174.932 -0.733 1
1 221 . 14 1 1 A 21 21 GLN CA C 21 56.424 54.605 1.819 1
1 222 . 14 1 1 A 21 21 GLN CB C 21 33.930 31.126 2.804 1
1 224 . 14 1 1 A 21 21 GLN N N 21 118.190 121.336 -3.146 1
1 226 . 14 1 1 A 22 22 ASP H H 22 8.549 8.871 -0.322 1
1 227 . 14 1 1 A 22 22 ASP HA H 22 4.708 4.982 -0.274 1
1 230 . 14 1 1 A 22 22 ASP C C 22 175.399 175.656 -0.257 1
1 231 . 14 1 1 A 22 22 ASP CA C 22 54.415 53.484 0.931 1
1 232 . 14 1 1 A 22 22 ASP CB C 22 42.744 41.845 0.899 1
1 233 . 14 1 1 A 22 22 ASP N N 22 122.563 126.687 -4.124 1
1 234 . 14 1 1 A 23 23 ILE H H 23 8.681 8.888 -0.207 1
1 235 . 14 1 1 A 23 23 ILE HA H 23 4.726 5.100 -0.374 1
1 245 . 14 1 1 A 23 23 ILE C C 23 174.896 175.408 -0.512 1
1 246 . 14 1 1 A 23 23 ILE CA C 23 60.384 59.183 1.201 1
1 247 . 14 1 1 A 23 23 ILE CB C 23 42.843 40.276 2.567 1
1 251 . 14 1 1 A 23 23 ILE N N 23 121.642 121.648 -0.006 1
1 252 . 14 1 1 A 24 24 ASN H H 24 8.224 9.064 -0.840 1
1 253 . 14 1 1 A 24 24 ASN HA H 24 5.252 6.123 -0.871 1
1 258 . 14 1 1 A 24 24 ASN C C 24 174.672 173.738 0.934 1
1 259 . 14 1 1 A 24 24 ASN CA C 24 54.262 52.317 1.945 1
1 260 . 14 1 1 A 24 24 ASN CB C 24 40.495 42.081 -1.586 1
1 261 . 14 1 1 A 24 24 ASN N N 24 124.418 120.587 3.831 1
1 263 . 14 1 1 A 25 25 ILE H H 25 9.453 8.930 0.523 1
1 264 . 14 1 1 A 25 25 ILE HA H 25 4.896 4.903 -0.007 1
1 274 . 14 1 1 A 25 25 ILE C C 25 173.645 174.774 -1.129 1
1 275 . 14 1 1 A 25 25 ILE CA C 25 61.580 60.342 1.238 1
1 276 . 14 1 1 A 25 25 ILE CB C 25 44.146 41.672 2.474 1
1 280 . 14 1 1 A 25 25 ILE N N 25 122.056 123.875 -1.819 1
1 281 . 14 1 1 A 26 26 HIS H H 26 9.716 8.795 0.921 1
1 282 . 14 1 1 A 26 26 HIS HA H 26 5.404 5.129 0.275 1
1 286 . 14 1 1 A 26 26 HIS C C 26 175.078 175.136 -0.058 1
1 287 . 14 1 1 A 26 26 HIS CA C 26 55.881 55.257 0.624 1
1 288 . 14 1 1 A 26 26 HIS CB C 26 32.829 31.190 1.639 1
1 290 . 14 1 1 A 26 26 HIS N N 26 126.720 126.032 0.688 1
1 291 . 14 1 1 A 27 27 ILE H H 27 9.935 9.323 0.612 1
1 292 . 14 1 1 A 27 27 ILE HA H 27 5.096 4.757 0.339 1
1 302 . 14 1 1 A 27 27 ILE C C 27 174.860 175.261 -0.401 1
1 303 . 14 1 1 A 27 27 ILE CA C 27 61.915 60.728 1.187 1
1 304 . 14 1 1 A 27 27 ILE CB C 27 40.667 39.752 0.915 1
1 308 . 14 1 1 A 27 27 ILE N N 27 123.352 123.547 -0.195 1
1 309 . 14 1 1 A 28 28 ARG H H 28 9.315 9.321 -0.006 1
1 310 . 14 1 1 A 28 28 ARG HA H 28 5.621 4.967 0.654 1
1 317 . 14 1 1 A 28 28 ARG C C 28 175.573 175.671 -0.098 1
1 318 . 14 1 1 A 28 28 ARG CA C 28 54.904 55.613 -0.709 1
1 319 . 14 1 1 A 28 28 ARG CB C 28 33.782 32.432 1.350 1
1 322 . 14 1 1 A 28 28 ARG N N 28 127.731 127.556 0.175 1
1 323 . 14 1 1 A 29 29 TYR H H 29 7.656 8.564 -0.908 1
1 324 . 14 1 1 A 29 29 TYR HA H 29 5.831 5.544 0.287 1
1 331 . 14 1 1 A 29 29 TYR C C 29 173.770 173.200 0.570 1
1 332 . 14 1 1 A 29 29 TYR CA C 29 55.377 56.320 -0.943 1
1 333 . 14 1 1 A 29 29 TYR CB C 29 43.035 41.657 1.378 1
1 338 . 14 1 1 A 29 29 TYR N N 29 117.229 118.845 -1.616 1
1 339 . 14 1 1 A 30 30 GLU H H 30 8.323 8.416 -0.093 1
1 340 . 14 1 1 A 30 30 GLU HA H 30 4.381 4.813 -0.432 1
1 345 . 14 1 1 A 30 30 GLU C C 30 173.976 175.384 -1.408 1
1 346 . 14 1 1 A 30 30 GLU CA C 30 55.235 54.937 0.298 1
1 347 . 14 1 1 A 30 30 GLU CB C 30 34.494 33.388 1.106 1
1 349 . 14 1 1 A 30 30 GLU N N 30 117.003 120.845 -3.842 1
1 350 . 14 1 1 A 31 31 VAL H H 31 8.957 8.556 0.401 1
1 351 . 14 1 1 A 31 31 VAL HA H 31 4.262 4.174 0.088 1
1 359 . 14 1 1 A 31 31 VAL C C 31 175.045 175.226 -0.181 1
1 360 . 14 1 1 A 31 31 VAL CA C 31 63.418 62.300 1.118 1
1 361 . 14 1 1 A 31 31 VAL CB C 31 32.211 31.104 1.107 1
1 364 . 14 1 1 A 31 31 VAL N N 31 125.299 123.975 1.324 1
1 365 . 14 1 1 A 32 32 ARG H H 32 8.550 8.512 0.038 1
1 366 . 14 1 1 A 32 32 ARG HA H 32 4.408 4.942 -0.534 1
1 373 . 14 1 1 A 32 32 ARG C C 32 173.222 174.159 -0.937 1
1 374 . 14 1 1 A 32 32 ARG CA C 32 55.048 53.677 1.371 1
1 375 . 14 1 1 A 32 32 ARG CB C 32 34.646 33.814 0.832 1
1 378 . 14 1 1 A 32 32 ARG N N 32 128.345 128.179 0.166 1
1 379 . 14 1 1 A 33 33 GLN H H 33 8.148 8.589 -0.441 1
1 380 . 14 1 1 A 33 33 GLN HA H 33 4.697 5.270 -0.573 1
1 387 . 14 1 1 A 33 33 GLN C C 33 175.419 175.546 -0.127 1
1 388 . 14 1 1 A 33 33 GLN CA C 33 55.943 54.769 1.174 1
1 389 . 14 1 1 A 33 33 GLN CB C 33 31.679 30.702 0.977 1
1 391 . 14 1 1 A 33 33 GLN N N 33 116.088 122.241 -6.153 1
1 393 . 14 1 1 A 34 34 ASN H H 34 8.323 8.996 -0.673 1
1 394 . 14 1 1 A 34 34 ASN HA H 34 4.825 5.217 -0.392 1
1 399 . 14 1 1 A 34 34 ASN CA C 34 53.468 51.771 1.697 1
1 400 . 14 1 1 A 34 34 ASN CB C 34 41.559 39.995 1.564 1
1 401 . 14 1 1 A 34 34 ASN N N 34 121.088 122.537 -1.449 1
1 403 . 14 1 1 A 35 35 ALA HA H 35 4.099 4.082 0.017 1
1 407 . 14 1 1 A 35 35 ALA C C 35 178.472 179.171 -0.699 1
1 408 . 14 1 1 A 35 35 ALA CA C 35 55.591 54.185 1.406 1
1 409 . 14 1 1 A 35 35 ALA CB C 35 19.600 18.611 0.989 1
1 410 . 14 1 1 A 36 36 GLU H H 36 8.362 7.951 0.411 1
1 411 . 14 1 1 A 36 36 GLU HA H 36 4.263 4.098 0.165 1
1 416 . 14 1 1 A 36 36 GLU C C 36 177.727 178.291 -0.564 1
1 417 . 14 1 1 A 36 36 GLU CA C 36 59.010 58.617 0.393 1
1 418 . 14 1 1 A 36 36 GLU CB C 36 31.059 29.974 1.085 1
1 420 . 14 1 1 A 36 36 GLU N N 36 116.669 119.317 -2.648 1
1 421 . 14 1 1 A 37 37 SER H H 37 8.338 8.103 0.235 1
1 422 . 14 1 1 A 37 37 SER HA H 37 4.515 4.580 -0.065 1
1 425 . 14 1 1 A 37 37 SER C C 37 175.134 174.558 0.576 1
1 426 . 14 1 1 A 37 37 SER CA C 37 59.568 58.616 0.952 1
1 427 . 14 1 1 A 37 37 SER CB C 37 65.114 64.878 0.236 1
1 428 . 14 1 1 A 37 37 SER N N 37 111.971 113.041 -1.070 1
1 429 . 14 1 1 A 38 38 GLY H H 38 8.098 7.542 0.556 1
1 430 . 14 1 1 A 38 38 GLY HA2 H 38 4.294 4.067 0.227 1
1 431 . 14 1 1 A 38 38 GLY HA3 H 38 3.975 4.070 -0.095 1
1 432 . 14 1 1 A 38 38 GLY C C 38 173.759 173.598 0.161 1
1 433 . 14 1 1 A 38 38 GLY CA C 38 45.904 45.275 0.629 1
1 434 . 14 1 1 A 38 38 GLY N N 38 111.508 108.742 2.766 1
1 435 . 14 1 1 A 39 39 ALA H H 39 8.450 8.135 0.315 1
1 436 . 14 1 1 A 39 39 ALA HA H 39 4.902 4.527 0.375 1
1 440 . 14 1 1 A 39 39 ALA C C 39 177.193 177.113 0.080 1
1 441 . 14 1 1 A 39 39 ALA CA C 39 52.880 52.249 0.631 1
1 442 . 14 1 1 A 39 39 ALA CB C 39 20.714 19.836 0.878 1
1 443 . 14 1 1 A 39 39 ALA N N 39 124.210 126.864 -2.654 1
1 444 . 14 1 1 A 40 40 TYR H H 40 8.854 8.544 0.310 1
1 445 . 14 1 1 A 40 40 TYR HA H 40 4.796 5.265 -0.469 1
1 452 . 14 1 1 A 40 40 TYR C C 40 171.595 172.409 -0.814 1
1 453 . 14 1 1 A 40 40 TYR CA C 40 56.552 56.015 0.537 1
1 454 . 14 1 1 A 40 40 TYR CB C 40 41.319 40.642 0.677 1
1 459 . 14 1 1 A 40 40 TYR N N 40 118.580 116.807 1.773 1
1 460 . 14 1 1 A 41 41 VAL H H 41 9.275 8.235 1.040 1
1 461 . 14 1 1 A 41 41 VAL HA H 41 4.430 4.454 -0.024 1
1 469 . 14 1 1 A 41 41 VAL C C 41 174.098 173.635 0.463 1
1 470 . 14 1 1 A 41 41 VAL CA C 41 61.566 60.640 0.926 1
1 471 . 14 1 1 A 41 41 VAL CB C 41 33.852 34.216 -0.364 1
1 474 . 14 1 1 A 41 41 VAL N N 41 118.445 119.052 -0.607 1
1 475 . 14 1 1 A 42 42 HIS H H 42 8.789 8.553 0.236 1
1 476 . 14 1 1 A 42 42 HIS HA H 42 4.814 4.754 0.060 1
1 480 . 14 1 1 A 42 42 HIS C C 42 172.353 173.079 -0.726 1
1 481 . 14 1 1 A 42 42 HIS CA C 42 56.537 55.508 1.029 1
1 482 . 14 1 1 A 42 42 HIS CB C 42 31.587 31.047 0.540 1
1 484 . 14 1 1 A 42 42 HIS N N 42 125.741 126.716 -0.975 1
1 485 . 14 1 1 A 43 43 PHE H H 43 8.604 8.869 -0.265 1
1 486 . 14 1 1 A 43 43 PHE HA H 43 4.933 5.172 -0.239 1
1 494 . 14 1 1 A 43 43 PHE C C 43 174.119 174.493 -0.374 1
1 495 . 14 1 1 A 43 43 PHE CA C 43 56.591 56.233 0.358 1
1 496 . 14 1 1 A 43 43 PHE CB C 43 41.053 41.114 -0.061 1
1 502 . 14 1 1 A 43 43 PHE N N 43 125.631 125.994 -0.363 1
1 503 . 14 1 1 A 44 44 ASP H H 44 9.322 8.869 0.453 1
1 504 . 14 1 1 A 44 44 ASP HA H 44 5.187 5.518 -0.331 1
1 507 . 14 1 1 A 44 44 ASP C C 44 175.076 174.946 0.130 1
1 508 . 14 1 1 A 44 44 ASP CA C 44 55.145 53.398 1.747 1
1 509 . 14 1 1 A 44 44 ASP CB C 44 45.197 44.060 1.137 1
1 510 . 14 1 1 A 44 44 ASP N N 44 121.184 121.478 -0.294 1
1 511 . 14 1 1 A 45 45 MET H H 45 9.110 9.336 -0.226 1
1 512 . 14 1 1 A 45 45 MET HA H 45 5.765 5.844 -0.079 1
1 520 . 14 1 1 A 45 45 MET C C 45 173.254 174.805 -1.551 1
1 521 . 14 1 1 A 45 45 MET CA C 45 54.810 54.111 0.699 1
1 522 . 14 1 1 A 45 45 MET CB C 45 38.632 35.534 3.098 1
1 525 . 14 1 1 A 45 45 MET N N 45 121.976 122.945 -0.969 1
1 526 . 14 1 1 A 46 46 ASP H H 46 8.763 8.694 0.069 1
1 527 . 14 1 1 A 46 46 ASP HA H 46 4.373 4.858 -0.485 1
1 530 . 14 1 1 A 46 46 ASP C C 46 173.396 174.033 -0.637 1
1 531 . 14 1 1 A 46 46 ASP CA C 46 53.810 52.414 1.396 1
1 532 . 14 1 1 A 46 46 ASP CB C 46 44.722 43.771 0.951 1
1 533 . 14 1 1 A 46 46 ASP N N 46 121.797 122.719 -0.922 1
1 534 . 14 1 1 A 47 47 GLY H H 47 7.154 7.092 0.062 1
1 535 . 14 1 1 A 47 47 GLY HA2 H 47 5.075 3.748 1.327 1
1 536 . 14 1 1 A 47 47 GLY HA3 H 47 3.927 3.756 0.171 1
1 537 . 14 1 1 A 47 47 GLY C C 47 172.328 171.726 0.602 1
1 538 . 14 1 1 A 47 47 GLY CA C 47 45.820 45.090 0.730 1
1 539 . 14 1 1 A 47 47 GLY N N 47 105.470 105.052 0.418 1
1 540 . 14 1 1 A 48 48 GLU H H 48 9.100 8.283 0.817 1
1 541 . 14 1 1 A 48 48 GLU HA H 48 5.257 5.709 -0.452 1
1 546 . 14 1 1 A 48 48 GLU C C 48 175.019 174.512 0.507 1
1 547 . 14 1 1 A 48 48 GLU CA C 48 56.247 54.939 1.308 1
1 548 . 14 1 1 A 48 48 GLU CB C 48 35.076 31.921 3.155 1
1 550 . 14 1 1 A 48 48 GLU N N 48 119.799 117.855 1.944 1
1 551 . 14 1 1 A 49 49 ILE H H 49 7.945 8.520 -0.575 1
1 552 . 14 1 1 A 49 49 ILE HA H 49 4.540 4.638 -0.098 1
1 562 . 14 1 1 A 49 49 ILE C C 49 176.382 176.329 0.053 1
1 563 . 14 1 1 A 49 49 ILE CA C 49 61.321 60.015 1.306 1
1 564 . 14 1 1 A 49 49 ILE CB C 49 41.847 38.754 3.093 1
1 568 . 14 1 1 A 49 49 ILE N N 49 120.718 126.528 -5.810 1
1 569 . 14 1 1 A 50 50 ASP H H 50 10.048 9.508 0.540 1
1 570 . 14 1 1 A 50 50 ASP HA H 50 4.522 4.335 0.187 1
1 573 . 14 1 1 A 50 50 ASP C C 50 176.193 175.435 0.758 1
1 574 . 14 1 1 A 50 50 ASP CA C 50 56.872 55.148 1.724 1
1 575 . 14 1 1 A 50 50 ASP CB C 50 40.754 39.835 0.919 1
1 576 . 14 1 1 A 50 50 ASP N N 50 130.256 127.977 2.279 1
1 577 . 14 1 1 A 51 51 GLY H H 51 9.048 8.573 0.475 1
1 578 . 14 1 1 A 51 51 GLY HA2 H 51 4.126 3.884 0.242 1
1 579 . 14 1 1 A 51 51 GLY HA3 H 51 3.660 3.892 -0.232 1
1 580 . 14 1 1 A 51 51 GLY C C 51 173.935 173.931 0.004 1
1 581 . 14 1 1 A 51 51 GLY CA C 51 46.194 45.418 0.776 1
1 582 . 14 1 1 A 51 51 GLY N N 51 103.446 104.547 -1.101 1
1 583 . 14 1 1 A 52 52 LYS H H 52 7.905 7.707 0.198 1
1 584 . 14 1 1 A 52 52 LYS HA H 52 5.014 4.536 0.478 1
1 593 . 14 1 1 A 52 52 LYS CA C 52 53.809 52.801 1.008 1
1 594 . 14 1 1 A 52 52 LYS CB C 52 33.788 32.813 0.975 1
1 598 . 14 1 1 A 52 52 LYS N N 52 122.692 121.093 1.599 1
1 599 . 14 1 1 A 53 53 PRO HA H 53 5.523 5.299 0.224 1
1 606 . 14 1 1 A 53 53 PRO C C 53 176.300 176.742 -0.442 1
1 607 . 14 1 1 A 53 53 PRO CA C 53 62.896 62.950 -0.054 1
1 608 . 14 1 1 A 53 53 PRO CB C 53 33.920 32.212 1.708 1
1 611 . 14 1 1 A 54 54 PHE H H 54 8.643 8.544 0.099 1
1 612 . 14 1 1 A 54 54 PHE HA H 54 4.907 5.380 -0.473 1
1 620 . 14 1 1 A 54 54 PHE C C 54 172.840 173.283 -0.443 1
1 621 . 14 1 1 A 54 54 PHE CA C 54 57.173 55.346 1.827 1
1 622 . 14 1 1 A 54 54 PHE CB C 54 43.620 42.206 1.414 1
1 628 . 14 1 1 A 54 54 PHE N N 54 117.436 119.080 -1.644 1
1 629 . 14 1 1 A 55 55 SER H H 55 8.009 9.051 -1.042 1
1 630 . 14 1 1 A 55 55 SER HA H 55 4.822 5.273 -0.451 1
1 633 . 14 1 1 A 55 55 SER C C 55 172.856 172.657 0.199 1
1 634 . 14 1 1 A 55 55 SER CA C 55 58.238 56.810 1.428 1
1 635 . 14 1 1 A 55 55 SER CB C 55 66.163 65.811 0.352 1
1 636 . 14 1 1 A 55 55 SER N N 55 113.907 114.248 -0.341 1
1 637 . 14 1 1 A 56 56 ASP H H 56 9.593 9.003 0.590 1
1 638 . 14 1 1 A 56 56 ASP HA H 56 4.985 5.648 -0.663 1
1 641 . 14 1 1 A 56 56 ASP C C 56 175.049 174.398 0.651 1
1 642 . 14 1 1 A 56 56 ASP CA C 56 54.043 53.288 0.755 1
1 643 . 14 1 1 A 56 56 ASP CB C 56 46.425 45.181 1.244 1
1 644 . 14 1 1 A 56 56 ASP N N 56 125.145 123.295 1.850 1
1 645 . 14 1 1 A 57 57 SER H H 57 10.207 8.754 1.453 1
1 646 . 14 1 1 A 57 57 SER HA H 57 5.383 5.456 -0.073 1
1 649 . 14 1 1 A 57 57 SER C C 57 172.452 173.274 -0.822 1
1 650 . 14 1 1 A 57 57 SER CA C 57 59.008 57.065 1.943 1
1 651 . 14 1 1 A 57 57 SER CB C 57 67.802 66.217 1.585 1
1 652 . 14 1 1 A 57 57 SER N N 57 115.172 116.614 -1.442 1
1 653 . 14 1 1 A 58 58 PHE H H 58 8.623 8.588 0.035 1
1 654 . 14 1 1 A 58 58 PHE HA H 58 4.904 5.466 -0.562 1
1 662 . 14 1 1 A 58 58 PHE C C 58 172.447 172.794 -0.347 1
1 663 . 14 1 1 A 58 58 PHE CA C 58 57.781 55.562 2.219 1
1 664 . 14 1 1 A 58 58 PHE CB C 58 40.736 42.896 -2.160 1
1 670 . 14 1 1 A 58 58 PHE N N 58 115.065 117.984 -2.919 1
1 671 . 14 1 1 A 59 59 GLU H H 59 8.721 8.866 -0.145 1
1 672 . 14 1 1 A 59 59 GLU HA H 59 5.595 5.238 0.357 1
1 677 . 14 1 1 A 59 59 GLU C C 59 175.836 175.468 0.368 1
1 678 . 14 1 1 A 59 59 GLU CA C 59 55.290 55.209 0.081 1
1 679 . 14 1 1 A 59 59 GLU CB C 59 34.345 33.019 1.326 1
1 681 . 14 1 1 A 59 59 GLU N N 59 118.122 119.340 -1.218 1
1 682 . 14 1 1 A 60 60 LEU H H 60 9.016 8.922 0.094 1
1 683 . 14 1 1 A 60 60 LEU HA H 60 5.221 5.005 0.216 1
1 693 . 14 1 1 A 60 60 LEU CA C 60 52.275 51.132 1.143 1
1 694 . 14 1 1 A 60 60 LEU CB C 60 46.774 45.785 0.989 1
1 698 . 14 1 1 A 60 60 LEU N N 60 121.299 124.473 -3.174 1
1 699 . 14 1 1 A 61 61 PRO HA H 61 4.614 4.653 -0.039 1
1 706 . 14 1 1 A 61 61 PRO C C 61 176.316 177.829 -1.513 1
1 707 . 14 1 1 A 61 61 PRO CA C 61 62.719 62.860 -0.141 1
1 708 . 14 1 1 A 61 61 PRO CB C 61 33.758 32.612 1.146 1
1 711 . 14 1 1 A 62 62 ARG H H 62 8.017 8.574 -0.557 1
1 712 . 14 1 1 A 62 62 ARG HA H 62 3.738 3.895 -0.157 1
1 719 . 14 1 1 A 62 62 ARG C C 62 176.976 178.214 -1.238 1
1 720 . 14 1 1 A 62 62 ARG CA C 62 60.653 59.177 1.476 1
1 721 . 14 1 1 A 62 62 ARG CB C 62 31.549 29.712 1.837 1
1 724 . 14 1 1 A 62 62 ARG N N 62 118.159 122.838 -4.679 1
1 725 . 14 1 1 A 63 63 ASP H H 63 8.665 7.909 0.756 1
1 726 . 14 1 1 A 63 63 ASP HA H 63 4.484 4.543 -0.059 1
1 729 . 14 1 1 A 63 63 ASP C C 63 177.483 176.982 0.501 1
1 730 . 14 1 1 A 63 63 ASP CA C 63 57.335 56.487 0.848 1
1 731 . 14 1 1 A 63 63 ASP CB C 63 41.410 41.118 0.292 1
1 732 . 14 1 1 A 63 63 ASP N N 63 113.726 120.249 -6.523 1
1 733 . 14 1 1 A 64 64 THR H H 64 7.553 7.813 -0.260 1
1 734 . 14 1 1 A 64 64 THR HA H 64 4.562 4.760 -0.198 1
1 739 . 14 1 1 A 64 64 THR C C 64 175.654 175.399 0.255 1
1 740 . 14 1 1 A 64 64 THR CA C 64 61.499 60.825 0.674 1
1 741 . 14 1 1 A 64 64 THR CB C 64 69.606 69.856 -0.250 1
1 743 . 14 1 1 A 64 64 THR N N 64 107.855 106.532 1.323 1
1 744 . 14 1 1 A 65 65 ALA H H 65 7.406 7.856 -0.450 1
1 745 . 14 1 1 A 65 65 ALA HA H 65 4.012 4.209 -0.197 1
1 749 . 14 1 1 A 65 65 ALA C C 65 176.820 179.416 -2.596 1
1 750 . 14 1 1 A 65 65 ALA CA C 65 55.939 54.996 0.943 1
1 751 . 14 1 1 A 65 65 ALA CB C 65 19.454 18.101 1.353 1
1 752 . 14 1 1 A 65 65 ALA N N 65 123.777 126.006 -2.229 1
1 753 . 14 1 1 A 66 66 PHE H H 66 7.583 7.618 -0.035 1
1 754 . 14 1 1 A 66 66 PHE HA H 66 4.381 4.529 -0.148 1
1 762 . 14 1 1 A 66 66 PHE C C 66 176.104 177.173 -1.069 1
1 763 . 14 1 1 A 66 66 PHE CA C 66 58.836 60.650 -1.814 1
1 764 . 14 1 1 A 66 66 PHE CB C 66 37.740 37.819 -0.079 1
1 770 . 14 1 1 A 66 66 PHE N N 66 110.346 115.622 -5.276 1
1 771 . 14 1 1 A 67 67 ASN H H 67 7.984 8.237 -0.253 1
1 772 . 14 1 1 A 67 67 ASN HA H 67 4.848 4.962 -0.114 1
1 777 . 14 1 1 A 67 67 ASN C C 67 175.700 176.369 -0.669 1
1 778 . 14 1 1 A 67 67 ASN CA C 67 53.469 53.266 0.203 1
1 779 . 14 1 1 A 67 67 ASN CB C 67 38.836 39.238 -0.402 1
1 780 . 14 1 1 A 67 67 ASN N N 67 120.591 118.514 2.077 1
1 782 . 14 1 1 A 68 68 PHE H H 68 7.218 7.992 -0.774 1
1 783 . 14 1 1 A 68 68 PHE HA H 68 4.054 4.096 -0.042 1
1 790 . 14 1 1 A 68 68 PHE C C 68 174.796 177.019 -2.223 1
1 791 . 14 1 1 A 68 68 PHE CA C 68 60.849 60.803 0.046 1
1 792 . 14 1 1 A 68 68 PHE CB C 68 40.263 37.353 2.910 1
1 797 . 14 1 1 A 68 68 PHE N N 68 115.915 118.430 -2.515 1
1 798 . 14 1 1 A 69 69 ALA H H 69 7.780 7.166 0.614 1
1 799 . 14 1 1 A 69 69 ALA HA H 69 3.484 3.434 0.050 1
1 803 . 14 1 1 A 69 69 ALA C C 69 180.022 179.567 0.455 1
1 804 . 14 1 1 A 69 69 ALA CA C 69 56.283 54.549 1.734 1
1 805 . 14 1 1 A 69 69 ALA CB C 69 18.935 17.628 1.307 1
1 806 . 14 1 1 A 69 69 ALA N N 69 124.604 123.363 1.241 1
1 807 . 14 1 1 A 70 70 SER H H 70 7.852 7.502 0.350 1
1 808 . 14 1 1 A 70 70 SER HA H 70 4.061 4.121 -0.060 1
1 811 . 14 1 1 A 70 70 SER C C 70 177.054 176.683 0.371 1
1 812 . 14 1 1 A 70 70 SER CA C 70 62.085 61.290 0.795 1
1 813 . 14 1 1 A 70 70 SER CB C 70 62.976 62.894 0.082 1
1 814 . 14 1 1 A 70 70 SER N N 70 114.973 113.610 1.363 1
1 815 . 14 1 1 A 71 71 ASP H H 71 7.602 7.751 -0.149 1
1 816 . 14 1 1 A 71 71 ASP HA H 71 4.012 4.135 -0.123 1
1 819 . 14 1 1 A 71 71 ASP C C 71 177.086 177.687 -0.601 1
1 820 . 14 1 1 A 71 71 ASP CA C 71 58.501 56.849 1.652 1
1 821 . 14 1 1 A 71 71 ASP CB C 71 42.006 40.619 1.387 1
1 822 . 14 1 1 A 71 71 ASP N N 71 123.211 120.843 2.368 1
1 823 . 14 1 1 A 72 72 ALA H H 72 8.406 8.133 0.273 1
1 824 . 14 1 1 A 72 72 ALA HA H 72 3.671 4.243 -0.572 1
1 828 . 14 1 1 A 72 72 ALA C C 72 179.377 179.691 -0.314 1
1 829 . 14 1 1 A 72 72 ALA CA C 72 55.717 55.056 0.661 1
1 830 . 14 1 1 A 72 72 ALA CB C 72 18.658 18.658 0.000 1
1 831 . 14 1 1 A 72 72 ALA N N 72 119.793 121.289 -1.496 1
1 832 . 14 1 1 A 73 73 THR H H 73 7.631 7.216 0.415 1
1 833 . 14 1 1 A 73 73 THR HA H 73 3.562 3.948 -0.386 1
1 838 . 14 1 1 A 73 73 THR C C 73 175.072 176.063 -0.991 1
1 839 . 14 1 1 A 73 73 THR CA C 73 68.525 65.983 2.542 1
1 840 . 14 1 1 A 73 73 THR CB C 73 69.564 68.225 1.339 1
1 842 . 14 1 1 A 73 73 THR N N 73 114.702 114.062 0.640 1
1 843 . 14 1 1 A 74 74 ARG H H 74 7.629 7.674 -0.045 1
1 844 . 14 1 1 A 74 74 ARG HA H 74 3.795 3.954 -0.159 1
1 851 . 14 1 1 A 74 74 ARG C C 74 176.832 178.544 -1.712 1
1 852 . 14 1 1 A 74 74 ARG CA C 74 60.580 58.970 1.610 1
1 853 . 14 1 1 A 74 74 ARG CB C 74 30.409 29.440 0.969 1
1 856 . 14 1 1 A 74 74 ARG N N 74 122.528 120.416 2.112 1
1 857 . 14 1 1 A 75 75 VAL H H 75 8.008 8.391 -0.383 1
1 858 . 14 1 1 A 75 75 VAL HA H 75 3.439 3.572 -0.133 1
1 866 . 14 1 1 A 75 75 VAL C C 75 177.802 177.868 -0.066 1
1 867 . 14 1 1 A 75 75 VAL CA C 75 67.492 66.322 1.170 1
1 868 . 14 1 1 A 75 75 VAL CB C 75 32.220 31.648 0.572 1
1 871 . 14 1 1 A 75 75 VAL N N 75 120.044 119.820 0.224 1
1 872 . 14 1 1 A 76 76 ALA H H 76 8.092 7.883 0.209 1
1 873 . 14 1 1 A 76 76 ALA HA H 76 3.537 3.936 -0.399 1
1 877 . 14 1 1 A 76 76 ALA C C 76 180.078 179.723 0.355 1
1 878 . 14 1 1 A 76 76 ALA CA C 76 56.194 55.549 0.645 1
1 879 . 14 1 1 A 76 76 ALA CB C 76 18.882 17.731 1.151 1
1 880 . 14 1 1 A 76 76 ALA N N 76 120.726 121.745 -1.019 1
1 881 . 14 1 1 A 77 77 GLN H H 77 8.432 8.052 0.380 1
1 882 . 14 1 1 A 77 77 GLN HA H 77 4.428 4.006 0.422 1
1 885 . 14 1 1 A 77 77 GLN CA C 77 58.987 58.601 0.386 1
1 887 . 14 1 1 A 77 77 GLN N N 77 118.235 116.039 2.196 1
1 888 . 14 1 1 A 78 78 LYS H H 78 7.655 7.505 0.150 1
1 889 . 14 1 1 A 78 78 LYS HA H 78 3.874 3.993 -0.119 1
1 898 . 14 1 1 A 78 78 LYS C C 78 177.044 177.845 -0.801 1
1 899 . 14 1 1 A 78 78 LYS CA C 78 59.393 58.545 0.848 1
1 900 . 14 1 1 A 78 78 LYS CB C 78 32.583 31.786 0.797 1
1 904 . 14 1 1 A 78 78 LYS N N 78 121.797 119.100 2.697 1
1 905 . 14 1 1 A 79 79 HIS H H 79 6.888 6.931 -0.043 1
1 906 . 14 1 1 A 79 79 HIS HA H 79 4.501 4.490 0.011 1
1 909 . 14 1 1 A 79 79 HIS C C 79 174.191 175.002 -0.811 1
1 910 . 14 1 1 A 79 79 HIS CA C 79 56.166 55.939 0.227 1
1 911 . 14 1 1 A 79 79 HIS CB C 79 30.993 29.673 1.320 1
1 912 . 14 1 1 A 79 79 HIS N N 79 115.368 114.330 1.038 1
1 913 . 14 1 1 A 80 80 GLY H H 80 7.159 7.640 -0.481 1
1 914 . 14 1 1 A 80 80 GLY HA2 H 80 4.433 3.929 0.504 1
1 915 . 14 1 1 A 80 80 GLY HA3 H 80 3.541 3.938 -0.397 1
1 916 . 14 1 1 A 80 80 GLY C C 80 175.246 173.417 1.829 1
1 917 . 14 1 1 A 80 80 GLY CA C 80 45.823 45.463 0.360 1
1 918 . 14 1 1 A 80 80 GLY N N 80 104.319 108.487 -4.168 1
1 919 . 14 1 1 A 81 81 LEU H H 81 7.962 8.037 -0.075 1
1 920 . 14 1 1 A 81 81 LEU HA H 81 4.012 5.041 -1.029 1
1 930 . 14 1 1 A 81 81 LEU CA C 81 56.383 53.708 2.675 1
1 931 . 14 1 1 A 81 81 LEU CB C 81 43.506 46.209 -2.703 1
1 935 . 14 1 1 A 81 81 LEU N N 81 124.945 124.638 0.307 1
1 936 . 14 1 1 A 83 83 PRO HA H 83 4.248 4.272 -0.024 1
1 943 . 14 1 1 A 83 83 PRO CA C 83 65.606 64.756 0.850 1
1 944 . 14 1 1 A 83 83 PRO CB C 83 32.805 32.091 0.714 1
1 947 . 14 1 1 A 84 84 LYS HA H 84 4.132 4.092 0.040 1
1 956 . 14 1 1 A 84 84 LYS CA C 84 59.351 59.452 -0.101 1
1 957 . 14 1 1 A 84 84 LYS CB C 84 33.109 32.719 0.390 1
1 961 . 14 1 1 A 85 85 PHE HA H 85 3.941 4.251 -0.310 1
1 964 . 14 1 1 A 85 85 PHE CA C 85 59.693 61.018 -1.325 1
1 965 . 14 1 1 A 85 85 PHE CB C 85 39.968 39.752 0.216 1
1 966 . 14 1 1 A 86 86 GLY HA2 H 86 3.721 3.784 -0.063 1
1 967 . 14 1 1 A 86 86 GLY HA3 H 86 3.659 3.790 -0.131 1
1 968 . 14 1 1 A 86 86 GLY CA C 86 44.471 47.088 -2.617 1
1 969 . 14 1 1 A 87 87 ALA HA H 87 4.274 4.045 0.229 1
1 973 . 14 1 1 A 87 87 ALA CA C 87 53.390 53.533 -0.143 1
1 974 . 14 1 1 A 87 87 ALA CB C 87 20.262 17.971 2.291 1
1 975 . 14 1 1 A 88 88 ILE HA H 88 4.015 4.155 -0.140 1
1 985 . 14 1 1 A 88 88 ILE CA C 88 63.697 61.864 1.833 1
1 986 . 14 1 1 A 88 88 ILE CB C 88 38.931 37.123 1.808 1
1 990 . 14 1 1 A 89 89 THR HA H 89 4.224 4.107 0.117 1
1 994 . 14 1 1 A 89 89 THR CA C 89 63.088 63.979 -0.891 1
1 996 . 14 1 1 A 90 90 ARG HA H 90 4.105 4.320 -0.215 1
1 1003 . 14 1 1 A 90 90 ARG CA C 90 58.412 55.476 2.936 1
1 1004 . 14 1 1 A 90 90 ARG CB C 90 30.907 31.110 -0.203 1
1 1007 . 14 1 1 A 91 91 VAL HA H 91 4.047 3.739 0.308 1
1 1015 . 14 1 1 A 91 91 VAL C C 91 175.627 176.016 -0.389 1
1 1016 . 14 1 1 A 91 91 VAL CA C 91 62.923 63.172 -0.249 1
1 1017 . 14 1 1 A 91 91 VAL CB C 91 32.060 29.462 2.598 1
1 1020 . 14 1 1 A 92 92 HIS HA H 92 4.567 4.271 0.296 1
1 1023 . 14 1 1 A 92 92 HIS CA C 92 57.021 58.200 -1.179 1
1 1024 . 14 1 1 A 92 92 HIS CB C 92 31.579 30.931 0.648 1
1 1025 . 14 1 1 A 93 93 LYS H H 93 8.490 7.919 0.571 1
1 1026 . 14 1 1 A 93 93 LYS HA H 93 4.149 4.426 -0.277 1
1 1035 . 14 1 1 A 93 93 LYS CA C 93 58.472 55.325 3.147 1
1 1036 . 14 1 1 A 93 93 LYS CB C 93 32.632 33.194 -0.562 1
1 1040 . 14 1 1 A 93 93 LYS N N 93 123.001 114.289 8.712 1
1 1041 . 14 1 1 A 94 94 GLU HA H 94 4.265 4.451 -0.186 1
1 1046 . 14 1 1 A 94 94 GLU CA C 94 57.682 56.259 1.423 1
1 1047 . 14 1 1 A 94 94 GLU CB C 94 30.952 30.216 0.736 1
1 1049 . 14 1 1 A 95 95 TYR HA H 95 4.205 4.187 0.018 1
1 1056 . 14 1 1 A 95 95 TYR C C 95 176.555 177.392 -0.837 1
1 1057 . 14 1 1 A 95 95 TYR CA C 95 60.582 61.520 -0.938 1
1 1058 . 14 1 1 A 95 95 TYR CB C 95 39.000 38.628 0.372 1
1 1063 . 14 1 1 A 96 96 ASP H H 96 8.104 8.328 -0.224 1
1 1064 . 14 1 1 A 96 96 ASP HA H 96 4.252 4.355 -0.103 1
1 1067 . 14 1 1 A 96 96 ASP CA C 96 58.583 57.360 1.223 1
1 1068 . 14 1 1 A 96 96 ASP CB C 96 41.058 40.078 0.980 1
1 1069 . 14 1 1 A 96 96 ASP N N 96 120.068 119.315 0.753 1
1 1070 . 14 1 1 A 97 97 ALA HA H 97 3.964 4.104 -0.140 1
1 1074 . 14 1 1 A 97 97 ALA C C 97 179.912 180.066 -0.154 1
1 1075 . 14 1 1 A 97 97 ALA CA C 97 55.582 55.329 0.253 1
1 1076 . 14 1 1 A 97 97 ALA CB C 97 18.849 18.446 0.403 1
1 1077 . 14 1 1 A 98 98 MET H H 98 7.422 7.798 -0.376 1
1 1078 . 14 1 1 A 98 98 MET HA H 98 3.847 3.973 -0.126 1
1 1083 . 14 1 1 A 98 98 MET C C 98 177.185 178.535 -1.350 1
1 1084 . 14 1 1 A 98 98 MET CA C 98 59.943 58.962 0.981 1
1 1085 . 14 1 1 A 98 98 MET CB C 98 32.583 32.617 -0.034 1
1 1087 . 14 1 1 A 98 98 MET N N 98 120.651 117.049 3.602 1
1 1088 . 14 1 1 A 99 99 PHE H H 99 8.652 8.344 0.308 1
1 1089 . 14 1 1 A 99 99 PHE HA H 99 4.150 4.207 -0.057 1
1 1097 . 14 1 1 A 99 99 PHE C C 99 177.911 178.089 -0.178 1
1 1098 . 14 1 1 A 99 99 PHE CA C 99 61.936 61.801 0.135 1
1 1099 . 14 1 1 A 99 99 PHE CB C 99 39.302 39.285 0.017 1
1 1105 . 14 1 1 A 99 99 PHE N N 99 119.857 121.687 -1.830 1
1 1106 . 14 1 1 A 100 100 GLU H H 100 8.232 8.527 -0.295 1
1 1107 . 14 1 1 A 100 100 GLU HA H 100 4.094 4.250 -0.156 1
1 1112 . 14 1 1 A 100 100 GLU CA C 100 59.579 59.668 -0.089 1
1 1113 . 14 1 1 A 100 100 GLU CB C 100 29.878 28.977 0.901 1
1 1115 . 14 1 1 A 100 100 GLU N N 100 117.666 118.210 -0.544 1
1 1116 . 14 1 1 A 101 101 ASP HA H 101 4.568 4.476 0.092 1
1 1119 . 14 1 1 A 101 101 ASP C C 101 177.667 178.633 -0.966 1
1 1120 . 14 1 1 A 101 101 ASP CA C 101 58.940 57.898 1.042 1
1 1121 . 14 1 1 A 101 101 ASP CB C 101 43.462 41.833 1.629 1
1 1122 . 14 1 1 A 102 102 ILE H H 102 8.370 8.013 0.357 1
1 1123 . 14 1 1 A 102 102 ILE HA H 102 3.319 3.677 -0.358 1
1 1133 . 14 1 1 A 102 102 ILE C C 102 177.347 178.334 -0.987 1
1 1134 . 14 1 1 A 102 102 ILE CA C 102 67.567 65.498 2.069 1
1 1135 . 14 1 1 A 102 102 ILE CB C 102 38.766 37.379 1.387 1
1 1139 . 14 1 1 A 102 102 ILE N N 102 118.449 119.271 -0.822 1
1 1140 . 14 1 1 A 103 103 ARG H H 103 8.450 8.442 0.008 1
1 1141 . 14 1 1 A 103 103 ARG HA H 103 3.834 4.342 -0.508 1
1 1148 . 14 1 1 A 103 103 ARG C C 103 178.760 178.458 0.302 1
1 1149 . 14 1 1 A 103 103 ARG CA C 103 61.318 58.811 2.507 1
1 1150 . 14 1 1 A 103 103 ARG CB C 103 30.978 29.920 1.058 1
1 1153 . 14 1 1 A 103 103 ARG N N 103 118.941 120.880 -1.939 1
1 1154 . 14 1 1 A 104 104 ALA H H 104 8.289 7.645 0.644 1
1 1155 . 14 1 1 A 104 104 ALA HA H 104 4.072 4.121 -0.049 1
1 1159 . 14 1 1 A 104 104 ALA C C 104 181.340 179.582 1.758 1
1 1160 . 14 1 1 A 104 104 ALA CA C 104 56.021 55.343 0.678 1
1 1161 . 14 1 1 A 104 104 ALA CB C 104 18.962 18.207 0.755 1
1 1162 . 14 1 1 A 104 104 ALA N N 104 121.028 121.997 -0.969 1
1 1163 . 14 1 1 A 105 105 LYS H H 105 8.231 7.772 0.459 1
1 1164 . 14 1 1 A 105 105 LYS HA H 105 4.013 3.929 0.084 1
1 1173 . 14 1 1 A 105 105 LYS C C 105 179.414 179.022 0.392 1
1 1174 . 14 1 1 A 105 105 LYS CA C 105 60.025 59.710 0.315 1
1 1175 . 14 1 1 A 105 105 LYS CB C 105 34.341 31.944 2.397 1
1 1179 . 14 1 1 A 105 105 LYS N N 105 118.789 118.760 0.029 1
1 1180 . 14 1 1 A 106 106 LEU H H 106 8.289 8.291 -0.002 1
1 1181 . 14 1 1 A 106 106 LEU HA H 106 4.043 3.953 0.090 1
1 1191 . 14 1 1 A 106 106 LEU C C 106 178.091 179.167 -1.076 1
1 1192 . 14 1 1 A 106 106 LEU CA C 106 57.469 57.826 -0.357 1
1 1193 . 14 1 1 A 106 106 LEU CB C 106 43.248 41.637 1.611 1
1 1197 . 14 1 1 A 106 106 LEU N N 106 119.086 119.495 -0.409 1
1 1198 . 14 1 1 A 107 107 HIS H H 107 7.861 8.130 -0.269 1
1 1199 . 14 1 1 A 107 107 HIS HA H 107 4.428 4.240 0.188 1
1 1203 . 14 1 1 A 107 107 HIS C C 107 175.263 175.018 0.245 1
1 1204 . 14 1 1 A 107 107 HIS CA C 107 58.218 59.204 -0.986 1
1 1205 . 14 1 1 A 107 107 HIS CB C 107 30.819 29.895 0.924 1
1 1207 . 14 1 1 A 107 107 HIS N N 107 118.172 117.746 0.426 1
1 1208 . 14 1 1 A 108 108 ALA H H 108 7.505 7.924 -0.419 1
1 1209 . 14 1 1 A 108 108 ALA HA H 108 4.218 3.860 0.358 1
1 1213 . 14 1 1 A 108 108 ALA C C 108 179.374 175.701 3.673 1
1 1214 . 14 1 1 A 108 108 ALA CA C 108 53.303 53.625 -0.322 1
1 1215 . 14 1 1 A 108 108 ALA CB C 108 20.005 17.881 2.124 1
1 1216 . 14 1 1 A 108 108 ALA N N 108 121.363 120.701 0.662 1
1 1217 . 14 1 1 A 109 109 HIS H H 109 7.987 7.946 0.041 1
1 1218 . 14 1 1 A 109 109 HIS HA H 109 4.770 5.041 -0.271 1
1 1221 . 14 1 1 A 109 109 HIS CA C 109 55.217 53.617 1.600 1
1 1222 . 14 1 1 A 109 109 HIS CB C 109 31.250 32.909 -1.659 1
1 1223 . 14 1 1 A 109 109 HIS N N 109 120.133 116.468 3.665 1
1 1224 . 14 1 1 A 110 110 PRO HA H 110 4.368 4.360 0.008 1
1 1231 . 14 1 1 A 110 110 PRO C C 110 177.350 176.831 0.519 1
1 1232 . 14 1 1 A 110 110 PRO CA C 110 64.430 63.453 0.977 1
1 1233 . 14 1 1 A 110 110 PRO CB C 110 32.912 31.031 1.881 1
1 1236 . 14 1 1 A 111 111 GLY H H 111 8.492 8.246 0.246 1
1 1237 . 14 1 1 A 111 111 GLY HA2 H 111 3.925 3.954 -0.029 1
1 1238 . 14 1 1 A 111 111 GLY HA3 H 111 3.925 4.073 -0.148 1
1 1239 . 14 1 1 A 111 111 GLY C C 111 173.681 173.862 -0.181 1
1 1240 . 14 1 1 A 111 111 GLY CA C 111 45.831 45.636 0.195 1
1 1241 . 14 1 1 A 111 111 GLY N N 111 109.622 109.024 0.598 1
1 1242 . 14 1 1 A 112 112 GLU H H 112 8.139 7.637 0.502 1
1 1243 . 14 1 1 A 112 112 GLU HA H 112 4.573 4.575 -0.002 1
1 1248 . 14 1 1 A 112 112 GLU CA C 112 55.099 54.663 0.436 1
1 1249 . 14 1 1 A 112 112 GLU CB C 112 30.664 30.335 0.329 1
1 1251 . 14 1 1 A 112 112 GLU N N 112 121.771 118.770 3.001 1
1 1252 . 14 1 1 A 113 113 PRO HA H 113 4.411 4.663 -0.252 1
1 1259 . 14 1 1 A 113 113 PRO C C 113 176.943 175.917 1.026 1
1 1260 . 14 1 1 A 113 113 PRO CA C 113 63.990 62.265 1.725 1
1 1261 . 14 1 1 A 113 113 PRO CB C 113 32.817 33.242 -0.425 1
1 1264 . 14 1 1 A 114 114 VAL H H 114 8.226 8.404 -0.178 1
1 1265 . 14 1 1 A 114 114 VAL HA H 114 4.036 4.731 -0.695 1
1 1273 . 14 1 1 A 114 114 VAL C C 114 175.708 176.367 -0.659 1
1 1274 . 14 1 1 A 114 114 VAL CA C 114 63.021 59.415 3.606 1
1 1275 . 14 1 1 A 114 114 VAL CB C 114 33.996 34.984 -0.988 1
1 1278 . 14 1 1 A 114 114 VAL N N 114 120.138 120.684 -0.546 1
1 1279 . 14 1 1 A 115 115 ASP H H 115 8.313 8.857 -0.544 1
1 1280 . 14 1 1 A 115 115 ASP HA H 115 4.587 4.510 0.077 1
1 1283 . 14 1 1 A 115 115 ASP C C 115 176.361 177.531 -1.170 1
1 1284 . 14 1 1 A 115 115 ASP CA C 115 54.760 55.215 -0.455 1
1 1285 . 14 1 1 A 115 115 ASP CB C 115 41.888 40.306 1.582 1
1 1286 . 14 1 1 A 115 115 ASP N N 115 123.840 126.554 -2.714 1
1 1287 . 14 1 1 A 116 116 LEU H H 116 8.202 7.905 0.297 1
1 1288 . 14 1 1 A 116 116 LEU HA H 116 4.168 3.964 0.204 1
1 1298 . 14 1 1 A 116 116 LEU C C 116 177.811 178.627 -0.816 1
1 1299 . 14 1 1 A 116 116 LEU CA C 116 56.696 57.903 -1.207 1
1 1300 . 14 1 1 A 116 116 LEU CB C 116 43.084 41.254 1.830 1
1 1304 . 14 1 1 A 116 116 LEU N N 116 123.362 118.693 4.669 1
1 1305 . 14 1 1 A 117 117 GLU H H 117 8.311 7.986 0.325 1
1 1306 . 14 1 1 A 117 117 GLU HA H 117 4.141 4.156 -0.015 1
1 1311 . 14 1 1 A 117 117 GLU C C 117 176.687 178.446 -1.759 1
1 1312 . 14 1 1 A 117 117 GLU CA C 117 57.937 57.764 0.173 1
1 1313 . 14 1 1 A 117 117 GLU CB C 117 30.685 29.610 1.075 1
1 1315 . 14 1 1 A 117 117 GLU N N 117 119.881 118.820 1.061 1
1 1316 . 14 1 1 A 118 118 ARG H H 118 7.930 7.737 0.193 1
1 1317 . 14 1 1 A 118 118 ARG HA H 118 4.223 4.151 0.072 1
1 1324 . 14 1 1 A 118 118 ARG C C 118 176.125 178.697 -2.572 1
1 1325 . 14 1 1 A 118 118 ARG CA C 118 57.133 58.464 -1.331 1
1 1326 . 14 1 1 A 118 118 ARG CB C 118 31.445 29.902 1.543 1
1 1329 . 14 1 1 A 118 118 ARG N N 118 120.580 119.123 1.457 1
1 1330 . 14 1 1 A 119 119 ILE H H 119 7.926 7.751 0.175 1
1 1331 . 14 1 1 A 119 119 ILE HA H 119 4.041 3.909 0.132 1
1 1341 . 14 1 1 A 119 119 ILE C C 119 176.166 176.069 0.097 1
1 1342 . 14 1 1 A 119 119 ILE CA C 119 62.131 64.496 -2.365 1
1 1343 . 14 1 1 A 119 119 ILE CB C 119 39.327 38.566 0.761 1
1 1347 . 14 1 1 A 119 119 ILE N N 119 121.721 118.432 3.289 1
1 1348 . 14 1 1 A 120 120 ILE H H 120 8.152 7.969 0.183 1
1 1349 . 14 1 1 A 120 120 ILE HA H 120 4.038 4.273 -0.235 1
1 1359 . 14 1 1 A 120 120 ILE C C 120 175.922 175.353 0.569 1
1 1360 . 14 1 1 A 120 120 ILE CA C 120 61.812 60.984 0.828 1
1 1361 . 14 1 1 A 120 120 ILE CB C 120 39.091 36.899 2.192 1
1 1365 . 14 1 1 A 120 120 ILE N N 120 125.274 120.803 4.471 1
1 1366 . 14 1 1 A 121 121 ARG H H 121 8.266 8.954 -0.688 1
1 1367 . 14 1 1 A 121 121 ARG HA H 121 4.293 4.358 -0.065 1
1 1374 . 14 1 1 A 121 121 ARG CA C 121 56.489 57.639 -1.150 1
1 1375 . 14 1 1 A 121 121 ARG CB C 121 31.785 31.010 0.775 1
1 1378 . 14 1 1 A 121 121 ARG N N 121 125.412 128.651 -3.239 1
1 1379 . 14 1 1 A 122 122 HIS HA H 122 5.066 4.748 0.318 1
1 1383 . 14 1 1 A 122 122 HIS C C 122 175.210 174.713 0.497 1
1 1384 . 14 1 1 A 122 122 HIS CA C 122 56.554 56.164 0.390 1
1 1385 . 14 1 1 A 122 122 HIS CB C 122 32.905 32.965 -0.060 1
1 1387 . 14 1 1 A 123 123 GLU H H 123 8.936 9.053 -0.117 1
1 1388 . 14 1 1 A 123 123 GLU N N 123 121.008 127.027 -6.019 1
1 1389 . 14 1 1 A 124 124 GLY HA2 H 124 3.984 4.009 -0.025 1
1 1390 . 14 1 1 A 124 124 GLY HA3 H 124 3.913 4.028 -0.115 1
1 1391 . 14 1 1 A 124 124 GLY C C 124 173.408 174.557 -1.149 1
1 1392 . 14 1 1 A 124 124 GLY CA C 124 46.124 44.979 1.145 1
1 10 . 15 1 1 A 2 2 GLY H H 2 8.402 8.534 -0.132 1
1 11 . 15 1 1 A 2 2 GLY HA2 H 2 3.903 3.789 0.114 1
1 12 . 15 1 1 A 2 2 GLY HA3 H 2 3.903 3.804 0.099 1
1 13 . 15 1 1 A 2 2 GLY C C 2 172.919 174.082 -1.163 1
1 14 . 15 1 1 A 2 2 GLY CA C 2 45.814 47.096 -1.282 1
1 15 . 15 1 1 A 2 2 GLY N N 2 110.769 109.160 1.609 1
1 16 . 15 1 1 A 3 3 HIS H H 3 8.198 7.865 0.333 1
1 17 . 15 1 1 A 3 3 HIS N N 3 120.514 120.983 -0.469 1
1 18 . 15 1 1 A 4 4 MET HA H 4 4.688 5.136 -0.448 1
1 26 . 15 1 1 A 4 4 MET CA C 4 56.462 54.309 2.153 1
1 27 . 15 1 1 A 4 4 MET CB C 4 35.293 37.996 -2.703 1
1 30 . 15 1 1 A 5 5 PHE H H 5 8.690 8.756 -0.066 1
1 31 . 15 1 1 A 5 5 PHE HA H 5 5.254 5.105 0.149 1
1 39 . 15 1 1 A 5 5 PHE C C 5 173.490 173.444 0.046 1
1 40 . 15 1 1 A 5 5 PHE CA C 5 58.548 57.495 1.053 1
1 41 . 15 1 1 A 5 5 PHE CB C 5 43.312 42.729 0.583 1
1 47 . 15 1 1 A 5 5 PHE N N 5 123.462 123.405 0.057 1
1 48 . 15 1 1 A 6 6 GLU H H 6 7.963 8.621 -0.658 1
1 49 . 15 1 1 A 6 6 GLU HA H 6 4.182 4.454 -0.272 1
1 54 . 15 1 1 A 6 6 GLU CA C 6 53.572 54.021 -0.449 1
1 55 . 15 1 1 A 6 6 GLU CB C 6 31.259 32.648 -1.389 1
1 57 . 15 1 1 A 6 6 GLU N N 6 127.826 124.197 3.629 1
1 58 . 15 1 1 A 7 7 PRO HA H 7 3.783 4.387 -0.604 1
1 65 . 15 1 1 A 7 7 PRO C C 7 177.433 177.296 0.137 1
1 66 . 15 1 1 A 7 7 PRO CA C 7 66.503 63.644 2.859 1
1 67 . 15 1 1 A 7 7 PRO CB C 7 31.785 31.232 0.553 1
1 70 . 15 1 1 A 8 8 GLY H H 8 7.537 8.141 -0.604 1
1 71 . 15 1 1 A 8 8 GLY HA2 H 8 3.896 2.913 0.983 1
1 72 . 15 1 1 A 8 8 GLY HA3 H 8 2.085 3.548 -1.463 1
1 73 . 15 1 1 A 8 8 GLY C C 8 174.730 172.825 1.905 1
1 74 . 15 1 1 A 8 8 GLY CA C 8 46.895 44.543 2.352 1
1 75 . 15 1 1 A 8 8 GLY N N 8 111.178 112.259 -1.081 1
1 76 . 15 1 1 A 9 9 HIS H H 9 9.112 7.360 1.752 1
1 77 . 15 1 1 A 9 9 HIS HA H 9 5.699 5.017 0.682 1
1 81 . 15 1 1 A 9 9 HIS C C 9 170.886 172.939 -2.053 1
1 82 . 15 1 1 A 9 9 HIS CA C 9 55.252 56.004 -0.752 1
1 83 . 15 1 1 A 9 9 HIS CB C 9 32.029 32.748 -0.719 1
1 85 . 15 1 1 A 9 9 HIS N N 9 122.719 118.142 4.577 1
1 86 . 15 1 1 A 10 10 LEU H H 10 9.637 8.460 1.177 1
1 87 . 15 1 1 A 10 10 LEU HA H 10 5.198 4.891 0.307 1
1 97 . 15 1 1 A 10 10 LEU C C 10 173.565 173.912 -0.347 1
1 98 . 15 1 1 A 10 10 LEU CA C 10 54.377 53.959 0.418 1
1 99 . 15 1 1 A 10 10 LEU CB C 10 46.916 46.587 0.329 1
1 103 . 15 1 1 A 10 10 LEU N N 10 130.516 124.932 5.584 1
1 104 . 15 1 1 A 11 11 HIS H H 11 9.237 8.950 0.287 1
1 105 . 15 1 1 A 11 11 HIS HA H 11 5.478 5.540 -0.062 1
1 109 . 15 1 1 A 11 11 HIS C C 11 173.559 173.276 0.283 1
1 110 . 15 1 1 A 11 11 HIS CA C 11 53.302 54.172 -0.870 1
1 111 . 15 1 1 A 11 11 HIS CB C 11 34.638 33.303 1.335 1
1 113 . 15 1 1 A 11 11 HIS N N 11 128.715 125.267 3.448 1
1 114 . 15 1 1 A 12 12 LEU H H 12 9.370 9.197 0.173 1
1 115 . 15 1 1 A 12 12 LEU HA H 12 4.863 5.091 -0.228 1
1 125 . 15 1 1 A 12 12 LEU CA C 12 54.243 53.443 0.800 1
1 126 . 15 1 1 A 12 12 LEU CB C 12 45.047 45.329 -0.282 1
1 130 . 15 1 1 A 12 12 LEU N N 12 127.423 126.180 1.243 1
1 131 . 15 1 1 A 13 13 VAL HA H 13 4.847 4.856 -0.009 1
1 139 . 15 1 1 A 13 13 VAL CA C 13 60.665 59.701 0.964 1
1 140 . 15 1 1 A 13 13 VAL CB C 13 35.978 35.306 0.672 1
1 143 . 15 1 1 A 14 14 SER H H 14 8.220 8.640 -0.420 1
1 144 . 15 1 1 A 14 14 SER HA H 14 4.563 4.404 0.159 1
1 147 . 15 1 1 A 14 14 SER CA C 14 58.588 59.353 -0.765 1
1 148 . 15 1 1 A 14 14 SER CB C 14 65.442 63.410 2.032 1
1 149 . 15 1 1 A 14 14 SER N N 14 118.092 120.313 -2.221 1
1 150 . 15 1 1 A 15 15 LEU H H 15 8.965 8.729 0.236 1
1 151 . 15 1 1 A 15 15 LEU HA H 15 4.725 5.052 -0.327 1
1 161 . 15 1 1 A 15 15 LEU CA C 15 53.203 51.019 2.184 1
1 162 . 15 1 1 A 15 15 LEU CB C 15 42.658 43.891 -1.233 1
1 166 . 15 1 1 A 15 15 LEU N N 15 124.969 123.721 1.248 1
1 167 . 15 1 1 A 16 16 PRO HA H 16 4.326 4.165 0.161 1
1 174 . 15 1 1 A 16 16 PRO C C 16 177.551 177.115 0.436 1
1 175 . 15 1 1 A 16 16 PRO CA C 16 64.262 63.629 0.633 1
1 176 . 15 1 1 A 16 16 PRO CB C 16 32.855 31.276 1.579 1
1 179 . 15 1 1 A 17 17 GLY H H 17 8.597 8.390 0.207 1
1 180 . 15 1 1 A 17 17 GLY HA2 H 17 4.091 3.547 0.544 1
1 181 . 15 1 1 A 17 17 GLY HA3 H 17 3.773 3.615 0.158 1
1 182 . 15 1 1 A 17 17 GLY C C 17 173.908 175.315 -1.407 1
1 183 . 15 1 1 A 17 17 GLY CA C 17 46.155 45.075 1.080 1
1 184 . 15 1 1 A 17 17 GLY N N 17 110.651 112.101 -1.450 1
1 185 . 15 1 1 A 18 18 LEU H H 18 7.998 7.878 0.120 1
1 186 . 15 1 1 A 18 18 LEU HA H 18 4.318 4.199 0.119 1
1 192 . 15 1 1 A 18 18 LEU CA C 18 56.800 56.902 -0.102 1
1 193 . 15 1 1 A 18 18 LEU CB C 18 43.502 42.295 1.207 1
1 195 . 15 1 1 A 18 18 LEU N N 18 122.006 120.584 1.422 1
1 196 . 15 1 1 A 19 19 ASP HA H 19 4.330 4.798 -0.468 1
1 199 . 15 1 1 A 19 19 ASP CA C 19 56.800 53.564 3.236 1
1 200 . 15 1 1 A 19 19 ASP CB C 19 43.498 43.857 -0.359 1
1 201 . 15 1 1 A 20 20 GLN HA H 20 4.248 4.352 -0.104 1
1 208 . 15 1 1 A 20 20 GLN CA C 20 56.991 55.787 1.204 1
1 209 . 15 1 1 A 20 20 GLN CB C 20 31.005 27.592 3.413 1
1 212 . 15 1 1 A 21 21 GLN H H 21 7.823 7.866 -0.043 1
1 213 . 15 1 1 A 21 21 GLN HA H 21 4.478 4.953 -0.475 1
1 220 . 15 1 1 A 21 21 GLN C C 21 174.199 174.107 0.092 1
1 221 . 15 1 1 A 21 21 GLN CA C 21 56.424 54.276 2.148 1
1 222 . 15 1 1 A 21 21 GLN CB C 21 33.930 32.096 1.834 1
1 224 . 15 1 1 A 21 21 GLN N N 21 118.190 121.717 -3.527 1
1 226 . 15 1 1 A 22 22 ASP H H 22 8.549 8.870 -0.321 1
1 227 . 15 1 1 A 22 22 ASP HA H 22 4.708 4.905 -0.197 1
1 230 . 15 1 1 A 22 22 ASP C C 22 175.399 175.144 0.255 1
1 231 . 15 1 1 A 22 22 ASP CA C 22 54.415 53.210 1.205 1
1 232 . 15 1 1 A 22 22 ASP CB C 22 42.744 40.796 1.948 1
1 233 . 15 1 1 A 22 22 ASP N N 22 122.563 125.683 -3.120 1
1 234 . 15 1 1 A 23 23 ILE H H 23 8.681 8.517 0.164 1
1 235 . 15 1 1 A 23 23 ILE HA H 23 4.726 5.094 -0.368 1
1 245 . 15 1 1 A 23 23 ILE C C 23 174.896 174.865 0.031 1
1 246 . 15 1 1 A 23 23 ILE CA C 23 60.384 59.611 0.773 1
1 247 . 15 1 1 A 23 23 ILE CB C 23 42.843 39.707 3.136 1
1 251 . 15 1 1 A 23 23 ILE N N 23 121.642 122.271 -0.629 1
1 252 . 15 1 1 A 24 24 ASN H H 24 8.224 8.844 -0.620 1
1 253 . 15 1 1 A 24 24 ASN HA H 24 5.252 5.757 -0.505 1
1 258 . 15 1 1 A 24 24 ASN C C 24 174.672 174.124 0.548 1
1 259 . 15 1 1 A 24 24 ASN CA C 24 54.262 51.880 2.382 1
1 260 . 15 1 1 A 24 24 ASN CB C 24 40.495 42.475 -1.980 1
1 261 . 15 1 1 A 24 24 ASN N N 24 124.418 122.686 1.732 1
1 263 . 15 1 1 A 25 25 ILE H H 25 9.453 8.848 0.605 1
1 264 . 15 1 1 A 25 25 ILE HA H 25 4.896 5.045 -0.149 1
1 274 . 15 1 1 A 25 25 ILE C C 25 173.645 174.867 -1.222 1
1 275 . 15 1 1 A 25 25 ILE CA C 25 61.580 60.522 1.058 1
1 276 . 15 1 1 A 25 25 ILE CB C 25 44.146 42.253 1.893 1
1 280 . 15 1 1 A 25 25 ILE N N 25 122.056 122.652 -0.596 1
1 281 . 15 1 1 A 26 26 HIS H H 26 9.716 8.898 0.818 1
1 282 . 15 1 1 A 26 26 HIS HA H 26 5.404 5.569 -0.165 1
1 286 . 15 1 1 A 26 26 HIS C C 26 175.078 174.621 0.457 1
1 287 . 15 1 1 A 26 26 HIS CA C 26 55.881 54.145 1.736 1
1 288 . 15 1 1 A 26 26 HIS CB C 26 32.829 32.971 -0.142 1
1 290 . 15 1 1 A 26 26 HIS N N 26 126.720 125.132 1.588 1
1 291 . 15 1 1 A 27 27 ILE H H 27 9.935 9.362 0.573 1
1 292 . 15 1 1 A 27 27 ILE HA H 27 5.096 4.832 0.264 1
1 302 . 15 1 1 A 27 27 ILE C C 27 174.860 175.151 -0.291 1
1 303 . 15 1 1 A 27 27 ILE CA C 27 61.915 60.880 1.035 1
1 304 . 15 1 1 A 27 27 ILE CB C 27 40.667 40.117 0.550 1
1 308 . 15 1 1 A 27 27 ILE N N 27 123.352 122.706 0.646 1
1 309 . 15 1 1 A 28 28 ARG H H 28 9.315 9.289 0.026 1
1 310 . 15 1 1 A 28 28 ARG HA H 28 5.621 5.144 0.477 1
1 317 . 15 1 1 A 28 28 ARG C C 28 175.573 175.324 0.249 1
1 318 . 15 1 1 A 28 28 ARG CA C 28 54.904 55.233 -0.329 1
1 319 . 15 1 1 A 28 28 ARG CB C 28 33.782 32.940 0.842 1
1 322 . 15 1 1 A 28 28 ARG N N 28 127.731 127.538 0.193 1
1 323 . 15 1 1 A 29 29 TYR H H 29 7.656 8.473 -0.817 1
1 324 . 15 1 1 A 29 29 TYR HA H 29 5.831 5.334 0.497 1
1 331 . 15 1 1 A 29 29 TYR C C 29 173.770 174.405 -0.635 1
1 332 . 15 1 1 A 29 29 TYR CA C 29 55.377 55.569 -0.192 1
1 333 . 15 1 1 A 29 29 TYR CB C 29 43.035 41.382 1.653 1
1 338 . 15 1 1 A 29 29 TYR N N 29 117.229 119.412 -2.183 1
1 339 . 15 1 1 A 30 30 GLU H H 30 8.323 8.380 -0.057 1
1 340 . 15 1 1 A 30 30 GLU HA H 30 4.381 4.718 -0.337 1
1 345 . 15 1 1 A 30 30 GLU C C 30 173.976 175.164 -1.188 1
1 346 . 15 1 1 A 30 30 GLU CA C 30 55.235 55.038 0.197 1
1 347 . 15 1 1 A 30 30 GLU CB C 30 34.494 31.770 2.724 1
1 349 . 15 1 1 A 30 30 GLU N N 30 117.003 124.104 -7.101 1
1 350 . 15 1 1 A 31 31 VAL H H 31 8.957 8.551 0.406 1
1 351 . 15 1 1 A 31 31 VAL HA H 31 4.262 4.209 0.053 1
1 359 . 15 1 1 A 31 31 VAL C C 31 175.045 174.931 0.114 1
1 360 . 15 1 1 A 31 31 VAL CA C 31 63.418 62.220 1.198 1
1 361 . 15 1 1 A 31 31 VAL CB C 31 32.211 31.323 0.888 1
1 364 . 15 1 1 A 31 31 VAL N N 31 125.299 125.315 -0.016 1
1 365 . 15 1 1 A 32 32 ARG H H 32 8.550 8.553 -0.003 1
1 366 . 15 1 1 A 32 32 ARG HA H 32 4.408 4.971 -0.563 1
1 373 . 15 1 1 A 32 32 ARG C C 32 173.222 174.418 -1.196 1
1 374 . 15 1 1 A 32 32 ARG CA C 32 55.048 53.508 1.540 1
1 375 . 15 1 1 A 32 32 ARG CB C 32 34.646 33.516 1.130 1
1 378 . 15 1 1 A 32 32 ARG N N 32 128.345 128.845 -0.500 1
1 379 . 15 1 1 A 33 33 GLN H H 33 8.148 8.607 -0.459 1
1 380 . 15 1 1 A 33 33 GLN HA H 33 4.697 5.114 -0.417 1
1 387 . 15 1 1 A 33 33 GLN C C 33 175.419 175.331 0.088 1
1 388 . 15 1 1 A 33 33 GLN CA C 33 55.943 54.798 1.145 1
1 389 . 15 1 1 A 33 33 GLN CB C 33 31.679 30.348 1.331 1
1 391 . 15 1 1 A 33 33 GLN N N 33 116.088 123.577 -7.489 1
1 393 . 15 1 1 A 34 34 ASN H H 34 8.323 9.046 -0.723 1
1 394 . 15 1 1 A 34 34 ASN HA H 34 4.825 5.261 -0.436 1
1 399 . 15 1 1 A 34 34 ASN CA C 34 53.468 51.954 1.514 1
1 400 . 15 1 1 A 34 34 ASN CB C 34 41.559 40.037 1.522 1
1 401 . 15 1 1 A 34 34 ASN N N 34 121.088 123.352 -2.264 1
1 403 . 15 1 1 A 35 35 ALA HA H 35 4.099 4.052 0.047 1
1 407 . 15 1 1 A 35 35 ALA C C 35 178.472 179.273 -0.801 1
1 408 . 15 1 1 A 35 35 ALA CA C 35 55.591 54.574 1.017 1
1 409 . 15 1 1 A 35 35 ALA CB C 35 19.600 18.491 1.109 1
1 410 . 15 1 1 A 36 36 GLU H H 36 8.362 7.992 0.370 1
1 411 . 15 1 1 A 36 36 GLU HA H 36 4.263 4.095 0.168 1
1 416 . 15 1 1 A 36 36 GLU C C 36 177.727 177.747 -0.020 1
1 417 . 15 1 1 A 36 36 GLU CA C 36 59.010 58.956 0.054 1
1 418 . 15 1 1 A 36 36 GLU CB C 36 31.059 30.409 0.650 1
1 420 . 15 1 1 A 36 36 GLU N N 36 116.669 119.496 -2.827 1
1 421 . 15 1 1 A 37 37 SER H H 37 8.338 8.226 0.112 1
1 422 . 15 1 1 A 37 37 SER HA H 37 4.515 4.751 -0.236 1
1 425 . 15 1 1 A 37 37 SER C C 37 175.134 174.487 0.647 1
1 426 . 15 1 1 A 37 37 SER CA C 37 59.568 58.112 1.456 1
1 427 . 15 1 1 A 37 37 SER CB C 37 65.114 64.850 0.264 1
1 428 . 15 1 1 A 37 37 SER N N 37 111.971 112.812 -0.841 1
1 429 . 15 1 1 A 38 38 GLY H H 38 8.098 7.827 0.271 1
1 430 . 15 1 1 A 38 38 GLY HA2 H 38 4.294 4.038 0.256 1
1 431 . 15 1 1 A 38 38 GLY HA3 H 38 3.975 4.040 -0.065 1
1 432 . 15 1 1 A 38 38 GLY C C 38 173.759 173.921 -0.162 1
1 433 . 15 1 1 A 38 38 GLY CA C 38 45.904 45.657 0.247 1
1 434 . 15 1 1 A 38 38 GLY N N 38 111.508 109.444 2.064 1
1 435 . 15 1 1 A 39 39 ALA H H 39 8.450 8.131 0.319 1
1 436 . 15 1 1 A 39 39 ALA HA H 39 4.902 4.546 0.356 1
1 440 . 15 1 1 A 39 39 ALA C C 39 177.193 177.449 -0.256 1
1 441 . 15 1 1 A 39 39 ALA CA C 39 52.880 52.312 0.568 1
1 442 . 15 1 1 A 39 39 ALA CB C 39 20.714 19.274 1.440 1
1 443 . 15 1 1 A 39 39 ALA N N 39 124.210 126.501 -2.291 1
1 444 . 15 1 1 A 40 40 TYR H H 40 8.854 8.656 0.198 1
1 445 . 15 1 1 A 40 40 TYR HA H 40 4.796 5.468 -0.672 1
1 452 . 15 1 1 A 40 40 TYR C C 40 171.595 173.049 -1.454 1
1 453 . 15 1 1 A 40 40 TYR CA C 40 56.552 55.680 0.872 1
1 454 . 15 1 1 A 40 40 TYR CB C 40 41.319 41.788 -0.469 1
1 459 . 15 1 1 A 40 40 TYR N N 40 118.580 117.764 0.816 1
1 460 . 15 1 1 A 41 41 VAL H H 41 9.275 8.686 0.589 1
1 461 . 15 1 1 A 41 41 VAL HA H 41 4.430 4.423 0.007 1
1 469 . 15 1 1 A 41 41 VAL C C 41 174.098 174.440 -0.342 1
1 470 . 15 1 1 A 41 41 VAL CA C 41 61.566 60.913 0.653 1
1 471 . 15 1 1 A 41 41 VAL CB C 41 33.852 33.867 -0.015 1
1 474 . 15 1 1 A 41 41 VAL N N 41 118.445 120.216 -1.771 1
1 475 . 15 1 1 A 42 42 HIS H H 42 8.789 8.762 0.027 1
1 476 . 15 1 1 A 42 42 HIS HA H 42 4.814 4.742 0.072 1
1 480 . 15 1 1 A 42 42 HIS C C 42 172.353 172.831 -0.478 1
1 481 . 15 1 1 A 42 42 HIS CA C 42 56.537 54.822 1.715 1
1 482 . 15 1 1 A 42 42 HIS CB C 42 31.587 30.510 1.077 1
1 484 . 15 1 1 A 42 42 HIS N N 42 125.741 126.568 -0.827 1
1 485 . 15 1 1 A 43 43 PHE H H 43 8.604 8.695 -0.091 1
1 486 . 15 1 1 A 43 43 PHE HA H 43 4.933 5.003 -0.070 1
1 494 . 15 1 1 A 43 43 PHE C C 43 174.119 173.884 0.235 1
1 495 . 15 1 1 A 43 43 PHE CA C 43 56.591 57.140 -0.549 1
1 496 . 15 1 1 A 43 43 PHE CB C 43 41.053 39.514 1.539 1
1 502 . 15 1 1 A 43 43 PHE N N 43 125.631 126.601 -0.970 1
1 503 . 15 1 1 A 44 44 ASP H H 44 9.322 8.596 0.726 1
1 504 . 15 1 1 A 44 44 ASP HA H 44 5.187 5.294 -0.107 1
1 507 . 15 1 1 A 44 44 ASP C C 44 175.076 174.436 0.640 1
1 508 . 15 1 1 A 44 44 ASP CA C 44 55.145 52.637 2.508 1
1 509 . 15 1 1 A 44 44 ASP CB C 44 45.197 44.371 0.826 1
1 510 . 15 1 1 A 44 44 ASP N N 44 121.184 125.258 -4.074 1
1 511 . 15 1 1 A 45 45 MET H H 45 9.110 8.959 0.151 1
1 512 . 15 1 1 A 45 45 MET HA H 45 5.765 5.825 -0.060 1
1 520 . 15 1 1 A 45 45 MET C C 45 173.254 174.345 -1.091 1
1 521 . 15 1 1 A 45 45 MET CA C 45 54.810 54.388 0.422 1
1 522 . 15 1 1 A 45 45 MET CB C 45 38.632 36.161 2.471 1
1 525 . 15 1 1 A 45 45 MET N N 45 121.976 123.645 -1.669 1
1 526 . 15 1 1 A 46 46 ASP H H 46 8.763 8.576 0.187 1
1 527 . 15 1 1 A 46 46 ASP HA H 46 4.373 4.821 -0.448 1
1 530 . 15 1 1 A 46 46 ASP C C 46 173.396 173.959 -0.563 1
1 531 . 15 1 1 A 46 46 ASP CA C 46 53.810 52.338 1.472 1
1 532 . 15 1 1 A 46 46 ASP CB C 46 44.722 44.114 0.608 1
1 533 . 15 1 1 A 46 46 ASP N N 46 121.797 122.206 -0.409 1
1 534 . 15 1 1 A 47 47 GLY H H 47 7.154 7.226 -0.072 1
1 535 . 15 1 1 A 47 47 GLY HA2 H 47 5.075 3.766 1.309 1
1 536 . 15 1 1 A 47 47 GLY HA3 H 47 3.927 3.903 0.024 1
1 537 . 15 1 1 A 47 47 GLY C C 47 172.328 171.878 0.450 1
1 538 . 15 1 1 A 47 47 GLY CA C 47 45.820 45.590 0.230 1
1 539 . 15 1 1 A 47 47 GLY N N 47 105.470 105.192 0.278 1
1 540 . 15 1 1 A 48 48 GLU H H 48 9.100 8.758 0.342 1
1 541 . 15 1 1 A 48 48 GLU HA H 48 5.257 5.696 -0.439 1
1 546 . 15 1 1 A 48 48 GLU C C 48 175.019 174.588 0.431 1
1 547 . 15 1 1 A 48 48 GLU CA C 48 56.247 55.135 1.112 1
1 548 . 15 1 1 A 48 48 GLU CB C 48 35.076 31.940 3.136 1
1 550 . 15 1 1 A 48 48 GLU N N 48 119.799 118.552 1.247 1
1 551 . 15 1 1 A 49 49 ILE H H 49 7.945 8.658 -0.713 1
1 552 . 15 1 1 A 49 49 ILE HA H 49 4.540 4.911 -0.371 1
1 562 . 15 1 1 A 49 49 ILE C C 49 176.382 176.324 0.058 1
1 563 . 15 1 1 A 49 49 ILE CA C 49 61.321 60.017 1.304 1
1 564 . 15 1 1 A 49 49 ILE CB C 49 41.847 39.173 2.674 1
1 568 . 15 1 1 A 49 49 ILE N N 49 120.718 126.675 -5.957 1
1 569 . 15 1 1 A 50 50 ASP H H 50 10.048 9.504 0.544 1
1 570 . 15 1 1 A 50 50 ASP HA H 50 4.522 4.318 0.204 1
1 573 . 15 1 1 A 50 50 ASP C C 50 176.193 175.483 0.710 1
1 574 . 15 1 1 A 50 50 ASP CA C 50 56.872 55.131 1.741 1
1 575 . 15 1 1 A 50 50 ASP CB C 50 40.754 39.854 0.900 1
1 576 . 15 1 1 A 50 50 ASP N N 50 130.256 127.891 2.365 1
1 577 . 15 1 1 A 51 51 GLY H H 51 9.048 8.405 0.643 1
1 578 . 15 1 1 A 51 51 GLY HA2 H 51 4.126 3.903 0.223 1
1 579 . 15 1 1 A 51 51 GLY HA3 H 51 3.660 3.917 -0.257 1
1 580 . 15 1 1 A 51 51 GLY C C 51 173.935 173.842 0.093 1
1 581 . 15 1 1 A 51 51 GLY CA C 51 46.194 45.375 0.819 1
1 582 . 15 1 1 A 51 51 GLY N N 51 103.446 104.404 -0.958 1
1 583 . 15 1 1 A 52 52 LYS H H 52 7.905 7.807 0.098 1
1 584 . 15 1 1 A 52 52 LYS HA H 52 5.014 4.599 0.415 1
1 593 . 15 1 1 A 52 52 LYS CA C 52 53.809 52.851 0.958 1
1 594 . 15 1 1 A 52 52 LYS CB C 52 33.788 32.974 0.814 1
1 598 . 15 1 1 A 52 52 LYS N N 52 122.692 121.527 1.165 1
1 599 . 15 1 1 A 53 53 PRO HA H 53 5.523 5.376 0.147 1
1 606 . 15 1 1 A 53 53 PRO C C 53 176.300 176.723 -0.423 1
1 607 . 15 1 1 A 53 53 PRO CA C 53 62.896 62.603 0.293 1
1 608 . 15 1 1 A 53 53 PRO CB C 53 33.920 32.774 1.146 1
1 611 . 15 1 1 A 54 54 PHE H H 54 8.643 8.636 0.007 1
1 612 . 15 1 1 A 54 54 PHE HA H 54 4.907 5.155 -0.248 1
1 620 . 15 1 1 A 54 54 PHE C C 54 172.840 172.928 -0.088 1
1 621 . 15 1 1 A 54 54 PHE CA C 54 57.173 55.836 1.337 1
1 622 . 15 1 1 A 54 54 PHE CB C 54 43.620 42.127 1.493 1
1 628 . 15 1 1 A 54 54 PHE N N 54 117.436 118.892 -1.456 1
1 629 . 15 1 1 A 55 55 SER H H 55 8.009 8.792 -0.783 1
1 630 . 15 1 1 A 55 55 SER HA H 55 4.822 5.204 -0.382 1
1 633 . 15 1 1 A 55 55 SER C C 55 172.856 172.567 0.289 1
1 634 . 15 1 1 A 55 55 SER CA C 55 58.238 57.548 0.690 1
1 635 . 15 1 1 A 55 55 SER CB C 55 66.163 65.887 0.276 1
1 636 . 15 1 1 A 55 55 SER N N 55 113.907 115.371 -1.464 1
1 637 . 15 1 1 A 56 56 ASP H H 56 9.593 8.961 0.632 1
1 638 . 15 1 1 A 56 56 ASP HA H 56 4.985 5.471 -0.486 1
1 641 . 15 1 1 A 56 56 ASP C C 56 175.049 174.719 0.330 1
1 642 . 15 1 1 A 56 56 ASP CA C 56 54.043 53.034 1.009 1
1 643 . 15 1 1 A 56 56 ASP CB C 56 46.425 45.929 0.496 1
1 644 . 15 1 1 A 56 56 ASP N N 56 125.145 124.177 0.968 1
1 645 . 15 1 1 A 57 57 SER H H 57 10.207 8.710 1.497 1
1 646 . 15 1 1 A 57 57 SER HA H 57 5.383 5.299 0.084 1
1 649 . 15 1 1 A 57 57 SER C C 57 172.452 173.382 -0.930 1
1 650 . 15 1 1 A 57 57 SER CA C 57 59.008 57.482 1.526 1
1 651 . 15 1 1 A 57 57 SER CB C 57 67.802 66.215 1.587 1
1 652 . 15 1 1 A 57 57 SER N N 57 115.172 116.076 -0.904 1
1 653 . 15 1 1 A 58 58 PHE H H 58 8.623 8.874 -0.251 1
1 654 . 15 1 1 A 58 58 PHE HA H 58 4.904 5.805 -0.901 1
1 662 . 15 1 1 A 58 58 PHE C C 58 172.447 173.295 -0.848 1
1 663 . 15 1 1 A 58 58 PHE CA C 58 57.781 55.397 2.384 1
1 664 . 15 1 1 A 58 58 PHE CB C 58 40.736 42.825 -2.089 1
1 670 . 15 1 1 A 58 58 PHE N N 58 115.065 120.643 -5.578 1
1 671 . 15 1 1 A 59 59 GLU H H 59 8.721 8.968 -0.247 1
1 672 . 15 1 1 A 59 59 GLU HA H 59 5.595 5.540 0.055 1
1 677 . 15 1 1 A 59 59 GLU C C 59 175.836 175.868 -0.032 1
1 678 . 15 1 1 A 59 59 GLU CA C 59 55.290 55.619 -0.329 1
1 679 . 15 1 1 A 59 59 GLU CB C 59 34.345 32.345 2.000 1
1 681 . 15 1 1 A 59 59 GLU N N 59 118.122 121.561 -3.439 1
1 682 . 15 1 1 A 60 60 LEU H H 60 9.016 8.981 0.035 1
1 683 . 15 1 1 A 60 60 LEU HA H 60 5.221 5.032 0.189 1
1 693 . 15 1 1 A 60 60 LEU CA C 60 52.275 51.150 1.125 1
1 694 . 15 1 1 A 60 60 LEU CB C 60 46.774 45.651 1.123 1
1 698 . 15 1 1 A 60 60 LEU N N 60 121.299 125.356 -4.057 1
1 699 . 15 1 1 A 61 61 PRO HA H 61 4.614 4.691 -0.077 1
1 706 . 15 1 1 A 61 61 PRO C C 61 176.316 177.564 -1.248 1
1 707 . 15 1 1 A 61 61 PRO CA C 61 62.719 62.540 0.179 1
1 708 . 15 1 1 A 61 61 PRO CB C 61 33.758 33.052 0.706 1
1 711 . 15 1 1 A 62 62 ARG H H 62 8.017 9.083 -1.066 1
1 712 . 15 1 1 A 62 62 ARG HA H 62 3.738 3.846 -0.108 1
1 719 . 15 1 1 A 62 62 ARG C C 62 176.976 177.411 -0.435 1
1 720 . 15 1 1 A 62 62 ARG CA C 62 60.653 59.319 1.334 1
1 721 . 15 1 1 A 62 62 ARG CB C 62 31.549 29.894 1.655 1
1 724 . 15 1 1 A 62 62 ARG N N 62 118.159 121.616 -3.457 1
1 725 . 15 1 1 A 63 63 ASP H H 63 8.665 7.896 0.769 1
1 726 . 15 1 1 A 63 63 ASP HA H 63 4.484 4.507 -0.023 1
1 729 . 15 1 1 A 63 63 ASP C C 63 177.483 177.010 0.473 1
1 730 . 15 1 1 A 63 63 ASP CA C 63 57.335 56.528 0.807 1
1 731 . 15 1 1 A 63 63 ASP CB C 63 41.410 41.220 0.190 1
1 732 . 15 1 1 A 63 63 ASP N N 63 113.726 119.290 -5.564 1
1 733 . 15 1 1 A 64 64 THR H H 64 7.553 7.699 -0.146 1
1 734 . 15 1 1 A 64 64 THR HA H 64 4.562 4.715 -0.153 1
1 739 . 15 1 1 A 64 64 THR C C 64 175.654 175.330 0.324 1
1 740 . 15 1 1 A 64 64 THR CA C 64 61.499 60.955 0.544 1
1 741 . 15 1 1 A 64 64 THR CB C 64 69.606 69.919 -0.313 1
1 743 . 15 1 1 A 64 64 THR N N 64 107.855 107.296 0.559 1
1 744 . 15 1 1 A 65 65 ALA H H 65 7.406 7.827 -0.421 1
1 745 . 15 1 1 A 65 65 ALA HA H 65 4.012 4.191 -0.179 1
1 749 . 15 1 1 A 65 65 ALA C C 65 176.820 179.518 -2.698 1
1 750 . 15 1 1 A 65 65 ALA CA C 65 55.939 54.960 0.979 1
1 751 . 15 1 1 A 65 65 ALA CB C 65 19.454 17.862 1.592 1
1 752 . 15 1 1 A 65 65 ALA N N 65 123.777 125.963 -2.186 1
1 753 . 15 1 1 A 66 66 PHE H H 66 7.583 7.418 0.165 1
1 754 . 15 1 1 A 66 66 PHE HA H 66 4.381 4.772 -0.391 1
1 762 . 15 1 1 A 66 66 PHE C C 66 176.104 177.159 -1.055 1
1 763 . 15 1 1 A 66 66 PHE CA C 66 58.836 60.310 -1.474 1
1 764 . 15 1 1 A 66 66 PHE CB C 66 37.740 37.870 -0.130 1
1 770 . 15 1 1 A 66 66 PHE N N 66 110.346 115.266 -4.920 1
1 771 . 15 1 1 A 67 67 ASN H H 67 7.984 8.104 -0.120 1
1 772 . 15 1 1 A 67 67 ASN HA H 67 4.848 4.909 -0.061 1
1 777 . 15 1 1 A 67 67 ASN C C 67 175.700 176.387 -0.687 1
1 778 . 15 1 1 A 67 67 ASN CA C 67 53.469 53.319 0.150 1
1 779 . 15 1 1 A 67 67 ASN CB C 67 38.836 39.247 -0.411 1
1 780 . 15 1 1 A 67 67 ASN N N 67 120.591 118.358 2.233 1
1 782 . 15 1 1 A 68 68 PHE H H 68 7.218 8.018 -0.800 1
1 783 . 15 1 1 A 68 68 PHE HA H 68 4.054 4.144 -0.090 1
1 790 . 15 1 1 A 68 68 PHE C C 68 174.796 177.195 -2.399 1
1 791 . 15 1 1 A 68 68 PHE CA C 68 60.849 60.384 0.465 1
1 792 . 15 1 1 A 68 68 PHE CB C 68 40.263 37.294 2.969 1
1 797 . 15 1 1 A 68 68 PHE N N 68 115.915 118.435 -2.520 1
1 798 . 15 1 1 A 69 69 ALA H H 69 7.780 7.589 0.191 1
1 799 . 15 1 1 A 69 69 ALA HA H 69 3.484 3.609 -0.125 1
1 803 . 15 1 1 A 69 69 ALA C C 69 180.022 179.535 0.487 1
1 804 . 15 1 1 A 69 69 ALA CA C 69 56.283 54.751 1.532 1
1 805 . 15 1 1 A 69 69 ALA CB C 69 18.935 17.690 1.245 1
1 806 . 15 1 1 A 69 69 ALA N N 69 124.604 123.719 0.885 1
1 807 . 15 1 1 A 70 70 SER H H 70 7.852 7.528 0.324 1
1 808 . 15 1 1 A 70 70 SER HA H 70 4.061 4.067 -0.006 1
1 811 . 15 1 1 A 70 70 SER C C 70 177.054 176.023 1.031 1
1 812 . 15 1 1 A 70 70 SER CA C 70 62.085 61.465 0.620 1
1 813 . 15 1 1 A 70 70 SER CB C 70 62.976 63.121 -0.145 1
1 814 . 15 1 1 A 70 70 SER N N 70 114.973 114.021 0.952 1
1 815 . 15 1 1 A 71 71 ASP H H 71 7.602 7.989 -0.387 1
1 816 . 15 1 1 A 71 71 ASP HA H 71 4.012 4.111 -0.099 1
1 819 . 15 1 1 A 71 71 ASP C C 71 177.086 178.210 -1.124 1
1 820 . 15 1 1 A 71 71 ASP CA C 71 58.501 56.629 1.872 1
1 821 . 15 1 1 A 71 71 ASP CB C 71 42.006 40.046 1.960 1
1 822 . 15 1 1 A 71 71 ASP N N 71 123.211 122.359 0.852 1
1 823 . 15 1 1 A 72 72 ALA H H 72 8.406 8.195 0.211 1
1 824 . 15 1 1 A 72 72 ALA HA H 72 3.671 4.418 -0.747 1
1 828 . 15 1 1 A 72 72 ALA C C 72 179.377 180.033 -0.656 1
1 829 . 15 1 1 A 72 72 ALA CA C 72 55.717 54.825 0.892 1
1 830 . 15 1 1 A 72 72 ALA CB C 72 18.658 18.694 -0.036 1
1 831 . 15 1 1 A 72 72 ALA N N 72 119.793 122.196 -2.403 1
1 832 . 15 1 1 A 73 73 THR H H 73 7.631 7.515 0.116 1
1 833 . 15 1 1 A 73 73 THR HA H 73 3.562 3.993 -0.431 1
1 838 . 15 1 1 A 73 73 THR C C 73 175.072 176.226 -1.154 1
1 839 . 15 1 1 A 73 73 THR CA C 73 68.525 65.952 2.573 1
1 840 . 15 1 1 A 73 73 THR CB C 73 69.564 68.909 0.655 1
1 842 . 15 1 1 A 73 73 THR N N 73 114.702 113.549 1.153 1
1 843 . 15 1 1 A 74 74 ARG H H 74 7.629 7.786 -0.157 1
1 844 . 15 1 1 A 74 74 ARG HA H 74 3.795 3.961 -0.166 1
1 851 . 15 1 1 A 74 74 ARG C C 74 176.832 178.678 -1.846 1
1 852 . 15 1 1 A 74 74 ARG CA C 74 60.580 58.675 1.905 1
1 853 . 15 1 1 A 74 74 ARG CB C 74 30.409 29.767 0.642 1
1 856 . 15 1 1 A 74 74 ARG N N 74 122.528 120.944 1.584 1
1 857 . 15 1 1 A 75 75 VAL H H 75 8.008 8.274 -0.266 1
1 858 . 15 1 1 A 75 75 VAL HA H 75 3.439 3.659 -0.220 1
1 866 . 15 1 1 A 75 75 VAL C C 75 177.802 177.873 -0.071 1
1 867 . 15 1 1 A 75 75 VAL CA C 75 67.492 66.427 1.065 1
1 868 . 15 1 1 A 75 75 VAL CB C 75 32.220 31.708 0.512 1
1 871 . 15 1 1 A 75 75 VAL N N 75 120.044 119.496 0.548 1
1 872 . 15 1 1 A 76 76 ALA H H 76 8.092 8.302 -0.210 1
1 873 . 15 1 1 A 76 76 ALA HA H 76 3.537 4.017 -0.480 1
1 877 . 15 1 1 A 76 76 ALA C C 76 180.078 179.522 0.556 1
1 878 . 15 1 1 A 76 76 ALA CA C 76 56.194 55.855 0.339 1
1 879 . 15 1 1 A 76 76 ALA CB C 76 18.882 18.059 0.823 1
1 880 . 15 1 1 A 76 76 ALA N N 76 120.726 122.041 -1.315 1
1 881 . 15 1 1 A 77 77 GLN H H 77 8.432 8.035 0.397 1
1 882 . 15 1 1 A 77 77 GLN HA H 77 4.428 4.072 0.356 1
1 885 . 15 1 1 A 77 77 GLN CA C 77 58.987 58.610 0.377 1
1 887 . 15 1 1 A 77 77 GLN N N 77 118.235 116.278 1.957 1
1 888 . 15 1 1 A 78 78 LYS H H 78 7.655 7.899 -0.244 1
1 889 . 15 1 1 A 78 78 LYS HA H 78 3.874 4.098 -0.224 1
1 898 . 15 1 1 A 78 78 LYS C C 78 177.044 178.668 -1.624 1
1 899 . 15 1 1 A 78 78 LYS CA C 78 59.393 59.152 0.241 1
1 900 . 15 1 1 A 78 78 LYS CB C 78 32.583 32.173 0.410 1
1 904 . 15 1 1 A 78 78 LYS N N 78 121.797 119.955 1.842 1
1 905 . 15 1 1 A 79 79 HIS H H 79 6.888 7.336 -0.448 1
1 906 . 15 1 1 A 79 79 HIS HA H 79 4.501 4.510 -0.009 1
1 909 . 15 1 1 A 79 79 HIS C C 79 174.191 175.117 -0.926 1
1 910 . 15 1 1 A 79 79 HIS CA C 79 56.166 56.331 -0.165 1
1 911 . 15 1 1 A 79 79 HIS CB C 79 30.993 29.613 1.380 1
1 912 . 15 1 1 A 79 79 HIS N N 79 115.368 119.105 -3.737 1
1 913 . 15 1 1 A 80 80 GLY H H 80 7.159 7.922 -0.763 1
1 914 . 15 1 1 A 80 80 GLY HA2 H 80 4.433 3.895 0.538 1
1 915 . 15 1 1 A 80 80 GLY HA3 H 80 3.541 3.940 -0.399 1
1 916 . 15 1 1 A 80 80 GLY C C 80 175.246 173.676 1.570 1
1 917 . 15 1 1 A 80 80 GLY CA C 80 45.823 45.956 -0.133 1
1 918 . 15 1 1 A 80 80 GLY N N 80 104.319 107.922 -3.603 1
1 919 . 15 1 1 A 81 81 LEU H H 81 7.962 7.625 0.337 1
1 920 . 15 1 1 A 81 81 LEU HA H 81 4.012 4.978 -0.966 1
1 930 . 15 1 1 A 81 81 LEU CA C 81 56.383 53.243 3.140 1
1 931 . 15 1 1 A 81 81 LEU CB C 81 43.506 46.477 -2.971 1
1 935 . 15 1 1 A 81 81 LEU N N 81 124.945 119.753 5.192 1
1 936 . 15 1 1 A 83 83 PRO HA H 83 4.248 4.624 -0.376 1
1 943 . 15 1 1 A 83 83 PRO CA C 83 65.606 62.161 3.445 1
1 944 . 15 1 1 A 83 83 PRO CB C 83 32.805 29.293 3.512 1
1 947 . 15 1 1 A 84 84 LYS HA H 84 4.132 4.113 0.019 1
1 956 . 15 1 1 A 84 84 LYS CA C 84 59.351 59.029 0.322 1
1 957 . 15 1 1 A 84 84 LYS CB C 84 33.109 32.468 0.641 1
1 961 . 15 1 1 A 85 85 PHE HA H 85 3.941 4.170 -0.229 1
1 964 . 15 1 1 A 85 85 PHE CA C 85 59.693 60.978 -1.285 1
1 965 . 15 1 1 A 85 85 PHE CB C 85 39.968 39.112 0.856 1
1 966 . 15 1 1 A 86 86 GLY HA2 H 86 3.721 3.875 -0.154 1
1 967 . 15 1 1 A 86 86 GLY HA3 H 86 3.659 3.923 -0.264 1
1 968 . 15 1 1 A 86 86 GLY CA C 86 44.471 46.966 -2.495 1
1 969 . 15 1 1 A 87 87 ALA HA H 87 4.274 4.508 -0.234 1
1 973 . 15 1 1 A 87 87 ALA CA C 87 53.390 51.593 1.797 1
1 974 . 15 1 1 A 87 87 ALA CB C 87 20.262 19.056 1.206 1
1 975 . 15 1 1 A 88 88 ILE HA H 88 4.015 3.993 0.022 1
1 985 . 15 1 1 A 88 88 ILE CA C 88 63.697 63.591 0.106 1
1 986 . 15 1 1 A 88 88 ILE CB C 88 38.931 37.794 1.137 1
1 990 . 15 1 1 A 89 89 THR HA H 89 4.224 4.324 -0.100 1
1 994 . 15 1 1 A 89 89 THR CA C 89 63.088 62.254 0.834 1
1 996 . 15 1 1 A 90 90 ARG HA H 90 4.105 4.119 -0.014 1
1 1003 . 15 1 1 A 90 90 ARG CA C 90 58.412 58.303 0.109 1
1 1004 . 15 1 1 A 90 90 ARG CB C 90 30.907 29.902 1.005 1
1 1007 . 15 1 1 A 91 91 VAL HA H 91 4.047 3.922 0.125 1
1 1015 . 15 1 1 A 91 91 VAL C C 91 175.627 175.023 0.604 1
1 1016 . 15 1 1 A 91 91 VAL CA C 91 62.923 61.872 1.051 1
1 1017 . 15 1 1 A 91 91 VAL CB C 91 32.060 32.035 0.025 1
1 1020 . 15 1 1 A 92 92 HIS HA H 92 4.567 4.578 -0.011 1
1 1023 . 15 1 1 A 92 92 HIS CA C 92 57.021 57.375 -0.354 1
1 1024 . 15 1 1 A 92 92 HIS CB C 92 31.579 30.599 0.980 1
1 1025 . 15 1 1 A 93 93 LYS H H 93 8.490 7.814 0.676 1
1 1026 . 15 1 1 A 93 93 LYS HA H 93 4.149 4.050 0.099 1
1 1035 . 15 1 1 A 93 93 LYS CA C 93 58.472 55.703 2.769 1
1 1036 . 15 1 1 A 93 93 LYS CB C 93 32.632 32.953 -0.321 1
1 1040 . 15 1 1 A 93 93 LYS N N 93 123.001 120.334 2.667 1
1 1041 . 15 1 1 A 94 94 GLU HA H 94 4.265 4.091 0.174 1
1 1046 . 15 1 1 A 94 94 GLU CA C 94 57.682 57.417 0.265 1
1 1047 . 15 1 1 A 94 94 GLU CB C 94 30.952 27.453 3.499 1
1 1049 . 15 1 1 A 95 95 TYR HA H 95 4.205 4.263 -0.058 1
1 1056 . 15 1 1 A 95 95 TYR C C 95 176.555 177.504 -0.949 1
1 1057 . 15 1 1 A 95 95 TYR CA C 95 60.582 60.712 -0.130 1
1 1058 . 15 1 1 A 95 95 TYR CB C 95 39.000 38.996 0.004 1
1 1063 . 15 1 1 A 96 96 ASP H H 96 8.104 8.452 -0.348 1
1 1064 . 15 1 1 A 96 96 ASP HA H 96 4.252 4.387 -0.135 1
1 1067 . 15 1 1 A 96 96 ASP CA C 96 58.583 57.593 0.990 1
1 1068 . 15 1 1 A 96 96 ASP CB C 96 41.058 41.531 -0.473 1
1 1069 . 15 1 1 A 96 96 ASP N N 96 120.068 119.294 0.774 1
1 1070 . 15 1 1 A 97 97 ALA HA H 97 3.964 4.124 -0.160 1
1 1074 . 15 1 1 A 97 97 ALA C C 97 179.912 179.420 0.492 1
1 1075 . 15 1 1 A 97 97 ALA CA C 97 55.582 55.276 0.306 1
1 1076 . 15 1 1 A 97 97 ALA CB C 97 18.849 18.347 0.502 1
1 1077 . 15 1 1 A 98 98 MET H H 98 7.422 7.849 -0.427 1
1 1078 . 15 1 1 A 98 98 MET HA H 98 3.847 4.233 -0.386 1
1 1083 . 15 1 1 A 98 98 MET C C 98 177.185 178.173 -0.988 1
1 1084 . 15 1 1 A 98 98 MET CA C 98 59.943 58.386 1.557 1
1 1085 . 15 1 1 A 98 98 MET CB C 98 32.583 31.873 0.710 1
1 1087 . 15 1 1 A 98 98 MET N N 98 120.651 118.844 1.807 1
1 1088 . 15 1 1 A 99 99 PHE H H 99 8.652 8.719 -0.067 1
1 1089 . 15 1 1 A 99 99 PHE HA H 99 4.150 4.052 0.098 1
1 1097 . 15 1 1 A 99 99 PHE C C 99 177.911 177.284 0.627 1
1 1098 . 15 1 1 A 99 99 PHE CA C 99 61.936 61.916 0.020 1
1 1099 . 15 1 1 A 99 99 PHE CB C 99 39.302 39.070 0.232 1
1 1105 . 15 1 1 A 99 99 PHE N N 99 119.857 120.496 -0.639 1
1 1106 . 15 1 1 A 100 100 GLU H H 100 8.232 8.337 -0.105 1
1 1107 . 15 1 1 A 100 100 GLU HA H 100 4.094 4.091 0.003 1
1 1112 . 15 1 1 A 100 100 GLU CA C 100 59.579 59.905 -0.326 1
1 1113 . 15 1 1 A 100 100 GLU CB C 100 29.878 29.452 0.426 1
1 1115 . 15 1 1 A 100 100 GLU N N 100 117.666 118.123 -0.457 1
1 1116 . 15 1 1 A 101 101 ASP HA H 101 4.568 4.485 0.083 1
1 1119 . 15 1 1 A 101 101 ASP C C 101 177.667 178.650 -0.983 1
1 1120 . 15 1 1 A 101 101 ASP CA C 101 58.940 57.989 0.951 1
1 1121 . 15 1 1 A 101 101 ASP CB C 101 43.462 41.819 1.643 1
1 1122 . 15 1 1 A 102 102 ILE H H 102 8.370 8.061 0.309 1
1 1123 . 15 1 1 A 102 102 ILE HA H 102 3.319 3.685 -0.366 1
1 1133 . 15 1 1 A 102 102 ILE C C 102 177.347 178.377 -1.030 1
1 1134 . 15 1 1 A 102 102 ILE CA C 102 67.567 65.140 2.427 1
1 1135 . 15 1 1 A 102 102 ILE CB C 102 38.766 37.071 1.695 1
1 1139 . 15 1 1 A 102 102 ILE N N 102 118.449 119.423 -0.974 1
1 1140 . 15 1 1 A 103 103 ARG H H 103 8.450 8.339 0.111 1
1 1141 . 15 1 1 A 103 103 ARG HA H 103 3.834 4.262 -0.428 1
1 1148 . 15 1 1 A 103 103 ARG C C 103 178.760 178.400 0.360 1
1 1149 . 15 1 1 A 103 103 ARG CA C 103 61.318 58.800 2.518 1
1 1150 . 15 1 1 A 103 103 ARG CB C 103 30.978 29.822 1.156 1
1 1153 . 15 1 1 A 103 103 ARG N N 103 118.941 120.773 -1.832 1
1 1154 . 15 1 1 A 104 104 ALA H H 104 8.289 7.849 0.440 1
1 1155 . 15 1 1 A 104 104 ALA HA H 104 4.072 4.164 -0.092 1
1 1159 . 15 1 1 A 104 104 ALA C C 104 181.340 179.331 2.009 1
1 1160 . 15 1 1 A 104 104 ALA CA C 104 56.021 55.353 0.668 1
1 1161 . 15 1 1 A 104 104 ALA CB C 104 18.962 18.222 0.740 1
1 1162 . 15 1 1 A 104 104 ALA N N 104 121.028 122.342 -1.314 1
1 1163 . 15 1 1 A 105 105 LYS H H 105 8.231 7.881 0.350 1
1 1164 . 15 1 1 A 105 105 LYS HA H 105 4.013 4.032 -0.019 1
1 1173 . 15 1 1 A 105 105 LYS C C 105 179.414 179.130 0.284 1
1 1174 . 15 1 1 A 105 105 LYS CA C 105 60.025 59.307 0.718 1
1 1175 . 15 1 1 A 105 105 LYS CB C 105 34.341 32.223 2.118 1
1 1179 . 15 1 1 A 105 105 LYS N N 105 118.789 118.786 0.003 1
1 1180 . 15 1 1 A 106 106 LEU H H 106 8.289 8.349 -0.060 1
1 1181 . 15 1 1 A 106 106 LEU HA H 106 4.043 4.054 -0.011 1
1 1191 . 15 1 1 A 106 106 LEU C C 106 178.091 178.782 -0.691 1
1 1192 . 15 1 1 A 106 106 LEU CA C 106 57.469 57.649 -0.180 1
1 1193 . 15 1 1 A 106 106 LEU CB C 106 43.248 41.240 2.008 1
1 1197 . 15 1 1 A 106 106 LEU N N 106 119.086 119.029 0.057 1
1 1198 . 15 1 1 A 107 107 HIS H H 107 7.861 8.228 -0.367 1
1 1199 . 15 1 1 A 107 107 HIS HA H 107 4.428 4.316 0.112 1
1 1203 . 15 1 1 A 107 107 HIS C C 107 175.263 174.786 0.477 1
1 1204 . 15 1 1 A 107 107 HIS CA C 107 58.218 58.664 -0.446 1
1 1205 . 15 1 1 A 107 107 HIS CB C 107 30.819 30.466 0.353 1
1 1207 . 15 1 1 A 107 107 HIS N N 107 118.172 118.494 -0.322 1
1 1208 . 15 1 1 A 108 108 ALA H H 108 7.505 7.926 -0.421 1
1 1209 . 15 1 1 A 108 108 ALA HA H 108 4.218 3.799 0.419 1
1 1213 . 15 1 1 A 108 108 ALA C C 108 179.374 175.636 3.738 1
1 1214 . 15 1 1 A 108 108 ALA CA C 108 53.303 53.234 0.069 1
1 1215 . 15 1 1 A 108 108 ALA CB C 108 20.005 17.336 2.669 1
1 1216 . 15 1 1 A 108 108 ALA N N 108 121.363 120.797 0.566 1
1 1217 . 15 1 1 A 109 109 HIS H H 109 7.987 7.260 0.727 1
1 1218 . 15 1 1 A 109 109 HIS HA H 109 4.770 4.950 -0.180 1
1 1221 . 15 1 1 A 109 109 HIS CA C 109 55.217 53.551 1.666 1
1 1222 . 15 1 1 A 109 109 HIS CB C 109 31.250 32.865 -1.615 1
1 1223 . 15 1 1 A 109 109 HIS N N 109 120.133 116.049 4.084 1
1 1224 . 15 1 1 A 110 110 PRO HA H 110 4.368 4.580 -0.212 1
1 1231 . 15 1 1 A 110 110 PRO C C 110 177.350 176.039 1.311 1
1 1232 . 15 1 1 A 110 110 PRO CA C 110 64.430 62.477 1.953 1
1 1233 . 15 1 1 A 110 110 PRO CB C 110 32.912 30.106 2.806 1
1 1236 . 15 1 1 A 111 111 GLY H H 111 8.492 8.477 0.015 1
1 1237 . 15 1 1 A 111 111 GLY HA2 H 111 3.925 3.951 -0.026 1
1 1238 . 15 1 1 A 111 111 GLY HA3 H 111 3.925 3.979 -0.054 1
1 1239 . 15 1 1 A 111 111 GLY C C 111 173.681 174.189 -0.508 1
1 1240 . 15 1 1 A 111 111 GLY CA C 111 45.831 46.924 -1.093 1
1 1241 . 15 1 1 A 111 111 GLY N N 111 109.622 110.805 -1.183 1
1 1242 . 15 1 1 A 112 112 GLU H H 112 8.139 7.884 0.255 1
1 1243 . 15 1 1 A 112 112 GLU HA H 112 4.573 4.770 -0.197 1
1 1248 . 15 1 1 A 112 112 GLU CA C 112 55.099 54.926 0.173 1
1 1249 . 15 1 1 A 112 112 GLU CB C 112 30.664 30.285 0.379 1
1 1251 . 15 1 1 A 112 112 GLU N N 112 121.771 119.909 1.862 1
1 1252 . 15 1 1 A 113 113 PRO HA H 113 4.411 4.739 -0.328 1
1 1259 . 15 1 1 A 113 113 PRO C C 113 176.943 175.292 1.651 1
1 1260 . 15 1 1 A 113 113 PRO CA C 113 63.990 62.358 1.632 1
1 1261 . 15 1 1 A 113 113 PRO CB C 113 32.817 33.105 -0.288 1
1 1264 . 15 1 1 A 114 114 VAL H H 114 8.226 8.552 -0.326 1
1 1265 . 15 1 1 A 114 114 VAL HA H 114 4.036 4.822 -0.786 1
1 1273 . 15 1 1 A 114 114 VAL C C 114 175.708 172.707 3.001 1
1 1274 . 15 1 1 A 114 114 VAL CA C 114 63.021 59.671 3.350 1
1 1275 . 15 1 1 A 114 114 VAL CB C 114 33.996 35.734 -1.738 1
1 1278 . 15 1 1 A 114 114 VAL N N 114 120.138 120.871 -0.733 1
1 1279 . 15 1 1 A 115 115 ASP H H 115 8.313 8.813 -0.500 1
1 1280 . 15 1 1 A 115 115 ASP HA H 115 4.587 4.956 -0.369 1
1 1283 . 15 1 1 A 115 115 ASP C C 115 176.361 176.262 0.099 1
1 1284 . 15 1 1 A 115 115 ASP CA C 115 54.760 52.380 2.380 1
1 1285 . 15 1 1 A 115 115 ASP CB C 115 41.888 40.955 0.933 1
1 1286 . 15 1 1 A 115 115 ASP N N 115 123.840 127.498 -3.658 1
1 1287 . 15 1 1 A 116 116 LEU H H 116 8.202 8.050 0.152 1
1 1288 . 15 1 1 A 116 116 LEU HA H 116 4.168 4.277 -0.109 1
1 1298 . 15 1 1 A 116 116 LEU C C 116 177.811 179.147 -1.336 1
1 1299 . 15 1 1 A 116 116 LEU CA C 116 56.696 56.445 0.251 1
1 1300 . 15 1 1 A 116 116 LEU CB C 116 43.084 42.582 0.502 1
1 1304 . 15 1 1 A 116 116 LEU N N 116 123.362 123.426 -0.064 1
1 1305 . 15 1 1 A 117 117 GLU H H 117 8.311 8.112 0.199 1
1 1306 . 15 1 1 A 117 117 GLU HA H 117 4.141 3.971 0.170 1
1 1311 . 15 1 1 A 117 117 GLU C C 117 176.687 178.429 -1.742 1
1 1312 . 15 1 1 A 117 117 GLU CA C 117 57.937 59.183 -1.246 1
1 1313 . 15 1 1 A 117 117 GLU CB C 117 30.685 29.362 1.323 1
1 1315 . 15 1 1 A 117 117 GLU N N 117 119.881 118.873 1.008 1
1 1316 . 15 1 1 A 118 118 ARG H H 118 7.930 8.024 -0.094 1
1 1317 . 15 1 1 A 118 118 ARG HA H 118 4.223 4.116 0.107 1
1 1324 . 15 1 1 A 118 118 ARG C C 118 176.125 179.031 -2.906 1
1 1325 . 15 1 1 A 118 118 ARG CA C 118 57.133 58.569 -1.436 1
1 1326 . 15 1 1 A 118 118 ARG CB C 118 31.445 29.706 1.739 1
1 1329 . 15 1 1 A 118 118 ARG N N 118 120.580 120.424 0.156 1
1 1330 . 15 1 1 A 119 119 ILE H H 119 7.926 7.598 0.328 1
1 1331 . 15 1 1 A 119 119 ILE HA H 119 4.041 3.933 0.108 1
1 1341 . 15 1 1 A 119 119 ILE C C 119 176.166 175.923 0.243 1
1 1342 . 15 1 1 A 119 119 ILE CA C 119 62.131 64.697 -2.566 1
1 1343 . 15 1 1 A 119 119 ILE CB C 119 39.327 38.612 0.715 1
1 1347 . 15 1 1 A 119 119 ILE N N 119 121.721 117.934 3.787 1
1 1348 . 15 1 1 A 120 120 ILE H H 120 8.152 8.058 0.094 1
1 1349 . 15 1 1 A 120 120 ILE HA H 120 4.038 4.305 -0.267 1
1 1359 . 15 1 1 A 120 120 ILE C C 120 175.922 175.419 0.503 1
1 1360 . 15 1 1 A 120 120 ILE CA C 120 61.812 60.944 0.868 1
1 1361 . 15 1 1 A 120 120 ILE CB C 120 39.091 38.084 1.007 1
1 1365 . 15 1 1 A 120 120 ILE N N 120 125.274 121.245 4.029 1
1 1366 . 15 1 1 A 121 121 ARG H H 121 8.266 8.908 -0.642 1
1 1367 . 15 1 1 A 121 121 ARG HA H 121 4.293 4.605 -0.312 1
1 1374 . 15 1 1 A 121 121 ARG CA C 121 56.489 57.456 -0.967 1
1 1375 . 15 1 1 A 121 121 ARG CB C 121 31.785 33.420 -1.635 1
1 1378 . 15 1 1 A 121 121 ARG N N 121 125.412 127.618 -2.206 1
1 1379 . 15 1 1 A 122 122 HIS HA H 122 5.066 4.861 0.205 1
1 1383 . 15 1 1 A 122 122 HIS C C 122 175.210 174.261 0.949 1
1 1384 . 15 1 1 A 122 122 HIS CA C 122 56.554 54.802 1.752 1
1 1385 . 15 1 1 A 122 122 HIS CB C 122 32.905 31.990 0.915 1
1 1387 . 15 1 1 A 123 123 GLU H H 123 8.936 9.105 -0.169 1
1 1388 . 15 1 1 A 123 123 GLU N N 123 121.008 121.074 -0.066 1
1 1389 . 15 1 1 A 124 124 GLY HA2 H 124 3.984 4.126 -0.142 1
1 1390 . 15 1 1 A 124 124 GLY HA3 H 124 3.913 4.146 -0.233 1
1 1391 . 15 1 1 A 124 124 GLY C C 124 173.408 173.263 0.145 1
1 1392 . 15 1 1 A 124 124 GLY CA C 124 46.124 45.492 0.632 1
1 10 . 16 1 1 A 2 2 GLY H H 2 8.402 8.686 -0.284 1
1 11 . 16 1 1 A 2 2 GLY HA2 H 2 3.903 3.799 0.104 1
1 12 . 16 1 1 A 2 2 GLY HA3 H 2 3.903 3.869 0.034 1
1 13 . 16 1 1 A 2 2 GLY C C 2 172.919 173.442 -0.523 1
1 14 . 16 1 1 A 2 2 GLY CA C 2 45.814 45.231 0.583 1
1 15 . 16 1 1 A 2 2 GLY N N 2 110.769 114.811 -4.042 1
1 16 . 16 1 1 A 3 3 HIS H H 3 8.198 8.026 0.172 1
1 17 . 16 1 1 A 3 3 HIS N N 3 120.514 118.992 1.522 1
1 18 . 16 1 1 A 4 4 MET HA H 4 4.688 4.997 -0.309 1
1 26 . 16 1 1 A 4 4 MET CA C 4 56.462 53.836 2.626 1
1 27 . 16 1 1 A 4 4 MET CB C 4 35.293 34.822 0.471 1
1 30 . 16 1 1 A 5 5 PHE H H 5 8.690 9.247 -0.557 1
1 31 . 16 1 1 A 5 5 PHE HA H 5 5.254 5.317 -0.063 1
1 39 . 16 1 1 A 5 5 PHE C C 5 173.490 174.228 -0.738 1
1 40 . 16 1 1 A 5 5 PHE CA C 5 58.548 56.407 2.141 1
1 41 . 16 1 1 A 5 5 PHE CB C 5 43.312 42.599 0.713 1
1 47 . 16 1 1 A 5 5 PHE N N 5 123.462 128.334 -4.872 1
1 48 . 16 1 1 A 6 6 GLU H H 6 7.963 8.713 -0.750 1
1 49 . 16 1 1 A 6 6 GLU HA H 6 4.182 4.631 -0.449 1
1 54 . 16 1 1 A 6 6 GLU CA C 6 53.572 53.672 -0.100 1
1 55 . 16 1 1 A 6 6 GLU CB C 6 31.259 32.816 -1.557 1
1 57 . 16 1 1 A 6 6 GLU N N 6 127.826 124.635 3.191 1
1 58 . 16 1 1 A 7 7 PRO HA H 7 3.783 4.228 -0.445 1
1 65 . 16 1 1 A 7 7 PRO C C 7 177.433 177.331 0.102 1
1 66 . 16 1 1 A 7 7 PRO CA C 7 66.503 63.733 2.770 1
1 67 . 16 1 1 A 7 7 PRO CB C 7 31.785 31.305 0.480 1
1 70 . 16 1 1 A 8 8 GLY H H 8 7.537 8.557 -1.020 1
1 71 . 16 1 1 A 8 8 GLY HA2 H 8 3.896 3.272 0.624 1
1 72 . 16 1 1 A 8 8 GLY HA3 H 8 2.085 3.642 -1.557 1
1 73 . 16 1 1 A 8 8 GLY C C 8 174.730 172.729 2.001 1
1 74 . 16 1 1 A 8 8 GLY CA C 8 46.895 44.730 2.165 1
1 75 . 16 1 1 A 8 8 GLY N N 8 111.178 112.453 -1.275 1
1 76 . 16 1 1 A 9 9 HIS H H 9 9.112 7.342 1.770 1
1 77 . 16 1 1 A 9 9 HIS HA H 9 5.699 4.987 0.712 1
1 81 . 16 1 1 A 9 9 HIS C C 9 170.886 172.758 -1.872 1
1 82 . 16 1 1 A 9 9 HIS CA C 9 55.252 55.553 -0.301 1
1 83 . 16 1 1 A 9 9 HIS CB C 9 32.029 33.374 -1.345 1
1 85 . 16 1 1 A 9 9 HIS N N 9 122.719 119.263 3.456 1
1 86 . 16 1 1 A 10 10 LEU H H 10 9.637 9.185 0.452 1
1 87 . 16 1 1 A 10 10 LEU HA H 10 5.198 5.278 -0.080 1
1 97 . 16 1 1 A 10 10 LEU C C 10 173.565 173.832 -0.267 1
1 98 . 16 1 1 A 10 10 LEU CA C 10 54.377 52.849 1.528 1
1 99 . 16 1 1 A 10 10 LEU CB C 10 46.916 46.559 0.357 1
1 103 . 16 1 1 A 10 10 LEU N N 10 130.516 128.452 2.064 1
1 104 . 16 1 1 A 11 11 HIS H H 11 9.237 8.983 0.254 1
1 105 . 16 1 1 A 11 11 HIS HA H 11 5.478 5.426 0.052 1
1 109 . 16 1 1 A 11 11 HIS C C 11 173.559 173.496 0.063 1
1 110 . 16 1 1 A 11 11 HIS CA C 11 53.302 53.810 -0.508 1
1 111 . 16 1 1 A 11 11 HIS CB C 11 34.638 33.157 1.481 1
1 113 . 16 1 1 A 11 11 HIS N N 11 128.715 125.790 2.925 1
1 114 . 16 1 1 A 12 12 LEU H H 12 9.370 9.088 0.282 1
1 115 . 16 1 1 A 12 12 LEU HA H 12 4.863 5.032 -0.169 1
1 125 . 16 1 1 A 12 12 LEU CA C 12 54.243 53.588 0.655 1
1 126 . 16 1 1 A 12 12 LEU CB C 12 45.047 44.173 0.874 1
1 130 . 16 1 1 A 12 12 LEU N N 12 127.423 123.915 3.508 1
1 131 . 16 1 1 A 13 13 VAL HA H 13 4.847 5.154 -0.307 1
1 139 . 16 1 1 A 13 13 VAL CA C 13 60.665 59.134 1.531 1
1 140 . 16 1 1 A 13 13 VAL CB C 13 35.978 34.933 1.045 1
1 143 . 16 1 1 A 14 14 SER H H 14 8.220 8.345 -0.125 1
1 144 . 16 1 1 A 14 14 SER HA H 14 4.563 4.914 -0.351 1
1 147 . 16 1 1 A 14 14 SER CA C 14 58.588 56.681 1.907 1
1 148 . 16 1 1 A 14 14 SER CB C 14 65.442 64.319 1.123 1
1 149 . 16 1 1 A 14 14 SER N N 14 118.092 117.598 0.494 1
1 150 . 16 1 1 A 15 15 LEU H H 15 8.965 8.365 0.600 1
1 151 . 16 1 1 A 15 15 LEU HA H 15 4.725 4.374 0.351 1
1 161 . 16 1 1 A 15 15 LEU CA C 15 53.203 53.234 -0.031 1
1 162 . 16 1 1 A 15 15 LEU CB C 15 42.658 41.813 0.845 1
1 166 . 16 1 1 A 15 15 LEU N N 15 124.969 124.354 0.615 1
1 167 . 16 1 1 A 16 16 PRO HA H 16 4.326 4.676 -0.350 1
1 174 . 16 1 1 A 16 16 PRO C C 16 177.551 177.188 0.363 1
1 175 . 16 1 1 A 16 16 PRO CA C 16 64.262 62.824 1.438 1
1 176 . 16 1 1 A 16 16 PRO CB C 16 32.855 32.866 -0.011 1
1 179 . 16 1 1 A 17 17 GLY H H 17 8.597 8.831 -0.234 1
1 180 . 16 1 1 A 17 17 GLY HA2 H 17 4.091 3.966 0.125 1
1 181 . 16 1 1 A 17 17 GLY HA3 H 17 3.773 3.968 -0.195 1
1 182 . 16 1 1 A 17 17 GLY C C 17 173.908 174.472 -0.564 1
1 183 . 16 1 1 A 17 17 GLY CA C 17 46.155 45.980 0.175 1
1 184 . 16 1 1 A 17 17 GLY N N 17 110.651 109.384 1.267 1
1 185 . 16 1 1 A 18 18 LEU H H 18 7.998 8.047 -0.049 1
1 186 . 16 1 1 A 18 18 LEU HA H 18 4.318 4.545 -0.227 1
1 192 . 16 1 1 A 18 18 LEU CA C 18 56.800 53.885 2.915 1
1 193 . 16 1 1 A 18 18 LEU CB C 18 43.502 43.241 0.261 1
1 195 . 16 1 1 A 18 18 LEU N N 18 122.006 121.350 0.656 1
1 196 . 16 1 1 A 19 19 ASP HA H 19 4.330 4.681 -0.351 1
1 199 . 16 1 1 A 19 19 ASP CA C 19 56.800 53.296 3.504 1
1 200 . 16 1 1 A 19 19 ASP CB C 19 43.498 40.341 3.157 1
1 201 . 16 1 1 A 20 20 GLN HA H 20 4.248 4.260 -0.012 1
1 208 . 16 1 1 A 20 20 GLN CA C 20 56.991 57.779 -0.788 1
1 209 . 16 1 1 A 20 20 GLN CB C 20 31.005 29.358 1.647 1
1 212 . 16 1 1 A 21 21 GLN H H 21 7.823 7.776 0.047 1
1 213 . 16 1 1 A 21 21 GLN HA H 21 4.478 4.663 -0.185 1
1 220 . 16 1 1 A 21 21 GLN C C 21 174.199 173.083 1.116 1
1 221 . 16 1 1 A 21 21 GLN CA C 21 56.424 55.331 1.093 1
1 222 . 16 1 1 A 21 21 GLN CB C 21 33.930 32.853 1.077 1
1 224 . 16 1 1 A 21 21 GLN N N 21 118.190 117.759 0.431 1
1 226 . 16 1 1 A 22 22 ASP H H 22 8.549 8.671 -0.122 1
1 227 . 16 1 1 A 22 22 ASP HA H 22 4.708 4.707 0.001 1
1 230 . 16 1 1 A 22 22 ASP C C 22 175.399 174.923 0.476 1
1 231 . 16 1 1 A 22 22 ASP CA C 22 54.415 52.976 1.439 1
1 232 . 16 1 1 A 22 22 ASP CB C 22 42.744 39.088 3.656 1
1 233 . 16 1 1 A 22 22 ASP N N 22 122.563 125.062 -2.499 1
1 234 . 16 1 1 A 23 23 ILE H H 23 8.681 7.637 1.044 1
1 235 . 16 1 1 A 23 23 ILE HA H 23 4.726 4.573 0.153 1
1 245 . 16 1 1 A 23 23 ILE C C 23 174.896 175.193 -0.297 1
1 246 . 16 1 1 A 23 23 ILE CA C 23 60.384 60.303 0.081 1
1 247 . 16 1 1 A 23 23 ILE CB C 23 42.843 38.656 4.187 1
1 251 . 16 1 1 A 23 23 ILE N N 23 121.642 118.702 2.940 1
1 252 . 16 1 1 A 24 24 ASN H H 24 8.224 8.577 -0.353 1
1 253 . 16 1 1 A 24 24 ASN HA H 24 5.252 5.661 -0.409 1
1 258 . 16 1 1 A 24 24 ASN C C 24 174.672 173.734 0.938 1
1 259 . 16 1 1 A 24 24 ASN CA C 24 54.262 52.519 1.743 1
1 260 . 16 1 1 A 24 24 ASN CB C 24 40.495 41.343 -0.848 1
1 261 . 16 1 1 A 24 24 ASN N N 24 124.418 123.114 1.304 1
1 263 . 16 1 1 A 25 25 ILE H H 25 9.453 9.028 0.425 1
1 264 . 16 1 1 A 25 25 ILE HA H 25 4.896 5.104 -0.208 1
1 274 . 16 1 1 A 25 25 ILE C C 25 173.645 174.784 -1.139 1
1 275 . 16 1 1 A 25 25 ILE CA C 25 61.580 60.171 1.409 1
1 276 . 16 1 1 A 25 25 ILE CB C 25 44.146 42.816 1.330 1
1 280 . 16 1 1 A 25 25 ILE N N 25 122.056 124.587 -2.531 1
1 281 . 16 1 1 A 26 26 HIS H H 26 9.716 8.232 1.484 1
1 282 . 16 1 1 A 26 26 HIS HA H 26 5.404 6.013 -0.609 1
1 286 . 16 1 1 A 26 26 HIS C C 26 175.078 173.664 1.414 1
1 287 . 16 1 1 A 26 26 HIS CA C 26 55.881 53.803 2.078 1
1 288 . 16 1 1 A 26 26 HIS CB C 26 32.829 33.267 -0.438 1
1 290 . 16 1 1 A 26 26 HIS N N 26 126.720 121.540 5.180 1
1 291 . 16 1 1 A 27 27 ILE H H 27 9.935 9.310 0.625 1
1 292 . 16 1 1 A 27 27 ILE HA H 27 5.096 5.217 -0.121 1
1 302 . 16 1 1 A 27 27 ILE C C 27 174.860 174.877 -0.017 1
1 303 . 16 1 1 A 27 27 ILE CA C 27 61.915 60.275 1.640 1
1 304 . 16 1 1 A 27 27 ILE CB C 27 40.667 39.628 1.039 1
1 308 . 16 1 1 A 27 27 ILE N N 27 123.352 124.804 -1.452 1
1 309 . 16 1 1 A 28 28 ARG H H 28 9.315 9.099 0.216 1
1 310 . 16 1 1 A 28 28 ARG HA H 28 5.621 4.973 0.648 1
1 317 . 16 1 1 A 28 28 ARG C C 28 175.573 174.666 0.907 1
1 318 . 16 1 1 A 28 28 ARG CA C 28 54.904 54.928 -0.024 1
1 319 . 16 1 1 A 28 28 ARG CB C 28 33.782 32.006 1.776 1
1 322 . 16 1 1 A 28 28 ARG N N 28 127.731 127.592 0.139 1
1 323 . 16 1 1 A 29 29 TYR H H 29 7.656 8.221 -0.565 1
1 324 . 16 1 1 A 29 29 TYR HA H 29 5.831 5.547 0.284 1
1 331 . 16 1 1 A 29 29 TYR C C 29 173.770 174.887 -1.117 1
1 332 . 16 1 1 A 29 29 TYR CA C 29 55.377 55.620 -0.243 1
1 333 . 16 1 1 A 29 29 TYR CB C 29 43.035 40.675 2.360 1
1 338 . 16 1 1 A 29 29 TYR N N 29 117.229 121.225 -3.996 1
1 339 . 16 1 1 A 30 30 GLU H H 30 8.323 8.687 -0.364 1
1 340 . 16 1 1 A 30 30 GLU HA H 30 4.381 4.750 -0.369 1
1 345 . 16 1 1 A 30 30 GLU C C 30 173.976 175.221 -1.245 1
1 346 . 16 1 1 A 30 30 GLU CA C 30 55.235 55.281 -0.046 1
1 347 . 16 1 1 A 30 30 GLU CB C 30 34.494 31.818 2.676 1
1 349 . 16 1 1 A 30 30 GLU N N 30 117.003 124.642 -7.639 1
1 350 . 16 1 1 A 31 31 VAL H H 31 8.957 8.521 0.436 1
1 351 . 16 1 1 A 31 31 VAL HA H 31 4.262 4.242 0.020 1
1 359 . 16 1 1 A 31 31 VAL C C 31 175.045 175.302 -0.257 1
1 360 . 16 1 1 A 31 31 VAL CA C 31 63.418 62.319 1.099 1
1 361 . 16 1 1 A 31 31 VAL CB C 31 32.211 31.168 1.043 1
1 364 . 16 1 1 A 31 31 VAL N N 31 125.299 125.615 -0.316 1
1 365 . 16 1 1 A 32 32 ARG H H 32 8.550 8.575 -0.025 1
1 366 . 16 1 1 A 32 32 ARG HA H 32 4.408 4.881 -0.473 1
1 373 . 16 1 1 A 32 32 ARG C C 32 173.222 174.145 -0.923 1
1 374 . 16 1 1 A 32 32 ARG CA C 32 55.048 53.986 1.062 1
1 375 . 16 1 1 A 32 32 ARG CB C 32 34.646 34.194 0.452 1
1 378 . 16 1 1 A 32 32 ARG N N 32 128.345 127.853 0.492 1
1 379 . 16 1 1 A 33 33 GLN H H 33 8.148 8.644 -0.496 1
1 380 . 16 1 1 A 33 33 GLN HA H 33 4.697 5.233 -0.536 1
1 387 . 16 1 1 A 33 33 GLN C C 33 175.419 175.344 0.075 1
1 388 . 16 1 1 A 33 33 GLN CA C 33 55.943 54.776 1.167 1
1 389 . 16 1 1 A 33 33 GLN CB C 33 31.679 30.575 1.104 1
1 391 . 16 1 1 A 33 33 GLN N N 33 116.088 122.575 -6.487 1
1 393 . 16 1 1 A 34 34 ASN H H 34 8.323 8.880 -0.557 1
1 394 . 16 1 1 A 34 34 ASN HA H 34 4.825 5.227 -0.402 1
1 399 . 16 1 1 A 34 34 ASN CA C 34 53.468 51.772 1.696 1
1 400 . 16 1 1 A 34 34 ASN CB C 34 41.559 39.877 1.682 1
1 401 . 16 1 1 A 34 34 ASN N N 34 121.088 124.117 -3.029 1
1 403 . 16 1 1 A 35 35 ALA HA H 35 4.099 4.034 0.065 1
1 407 . 16 1 1 A 35 35 ALA C C 35 178.472 179.239 -0.767 1
1 408 . 16 1 1 A 35 35 ALA CA C 35 55.591 54.560 1.031 1
1 409 . 16 1 1 A 35 35 ALA CB C 35 19.600 18.431 1.169 1
1 410 . 16 1 1 A 36 36 GLU H H 36 8.362 8.036 0.326 1
1 411 . 16 1 1 A 36 36 GLU HA H 36 4.263 4.046 0.217 1
1 416 . 16 1 1 A 36 36 GLU C C 36 177.727 177.963 -0.236 1
1 417 . 16 1 1 A 36 36 GLU CA C 36 59.010 58.994 0.016 1
1 418 . 16 1 1 A 36 36 GLU CB C 36 31.059 29.916 1.143 1
1 420 . 16 1 1 A 36 36 GLU N N 36 116.669 119.692 -3.023 1
1 421 . 16 1 1 A 37 37 SER H H 37 8.338 7.911 0.427 1
1 422 . 16 1 1 A 37 37 SER HA H 37 4.515 4.656 -0.141 1
1 425 . 16 1 1 A 37 37 SER C C 37 175.134 175.056 0.078 1
1 426 . 16 1 1 A 37 37 SER CA C 37 59.568 58.529 1.039 1
1 427 . 16 1 1 A 37 37 SER CB C 37 65.114 64.820 0.294 1
1 428 . 16 1 1 A 37 37 SER N N 37 111.971 112.238 -0.267 1
1 429 . 16 1 1 A 38 38 GLY H H 38 8.098 7.875 0.223 1
1 430 . 16 1 1 A 38 38 GLY HA2 H 38 4.294 4.005 0.289 1
1 431 . 16 1 1 A 38 38 GLY HA3 H 38 3.975 4.011 -0.036 1
1 432 . 16 1 1 A 38 38 GLY C C 38 173.759 174.036 -0.277 1
1 433 . 16 1 1 A 38 38 GLY CA C 38 45.904 46.508 -0.604 1
1 434 . 16 1 1 A 38 38 GLY N N 38 111.508 108.703 2.805 1
1 435 . 16 1 1 A 39 39 ALA H H 39 8.450 8.104 0.346 1
1 436 . 16 1 1 A 39 39 ALA HA H 39 4.902 4.717 0.185 1
1 440 . 16 1 1 A 39 39 ALA C C 39 177.193 177.312 -0.119 1
1 441 . 16 1 1 A 39 39 ALA CA C 39 52.880 51.991 0.889 1
1 442 . 16 1 1 A 39 39 ALA CB C 39 20.714 19.896 0.818 1
1 443 . 16 1 1 A 39 39 ALA N N 39 124.210 126.158 -1.948 1
1 444 . 16 1 1 A 40 40 TYR H H 40 8.854 8.563 0.291 1
1 445 . 16 1 1 A 40 40 TYR HA H 40 4.796 5.296 -0.500 1
1 452 . 16 1 1 A 40 40 TYR C C 40 171.595 172.384 -0.789 1
1 453 . 16 1 1 A 40 40 TYR CA C 40 56.552 55.940 0.612 1
1 454 . 16 1 1 A 40 40 TYR CB C 40 41.319 40.651 0.668 1
1 459 . 16 1 1 A 40 40 TYR N N 40 118.580 117.134 1.446 1
1 460 . 16 1 1 A 41 41 VAL H H 41 9.275 8.449 0.826 1
1 461 . 16 1 1 A 41 41 VAL HA H 41 4.430 4.606 -0.176 1
1 469 . 16 1 1 A 41 41 VAL C C 41 174.098 173.339 0.759 1
1 470 . 16 1 1 A 41 41 VAL CA C 41 61.566 60.483 1.083 1
1 471 . 16 1 1 A 41 41 VAL CB C 41 33.852 34.553 -0.701 1
1 474 . 16 1 1 A 41 41 VAL N N 41 118.445 119.216 -0.771 1
1 475 . 16 1 1 A 42 42 HIS H H 42 8.789 8.699 0.090 1
1 476 . 16 1 1 A 42 42 HIS HA H 42 4.814 5.008 -0.194 1
1 480 . 16 1 1 A 42 42 HIS C C 42 172.353 172.996 -0.643 1
1 481 . 16 1 1 A 42 42 HIS CA C 42 56.537 54.939 1.598 1
1 482 . 16 1 1 A 42 42 HIS CB C 42 31.587 32.706 -1.119 1
1 484 . 16 1 1 A 42 42 HIS N N 42 125.741 126.548 -0.807 1
1 485 . 16 1 1 A 43 43 PHE H H 43 8.604 8.735 -0.131 1
1 486 . 16 1 1 A 43 43 PHE HA H 43 4.933 4.996 -0.063 1
1 494 . 16 1 1 A 43 43 PHE C C 43 174.119 174.207 -0.088 1
1 495 . 16 1 1 A 43 43 PHE CA C 43 56.591 56.024 0.567 1
1 496 . 16 1 1 A 43 43 PHE CB C 43 41.053 41.390 -0.337 1
1 502 . 16 1 1 A 43 43 PHE N N 43 125.631 124.825 0.806 1
1 503 . 16 1 1 A 44 44 ASP H H 44 9.322 8.732 0.590 1
1 504 . 16 1 1 A 44 44 ASP HA H 44 5.187 5.525 -0.338 1
1 507 . 16 1 1 A 44 44 ASP C C 44 175.076 175.406 -0.330 1
1 508 . 16 1 1 A 44 44 ASP CA C 44 55.145 52.628 2.517 1
1 509 . 16 1 1 A 44 44 ASP CB C 44 45.197 44.389 0.808 1
1 510 . 16 1 1 A 44 44 ASP N N 44 121.184 122.428 -1.244 1
1 511 . 16 1 1 A 45 45 MET H H 45 9.110 8.661 0.449 1
1 512 . 16 1 1 A 45 45 MET HA H 45 5.765 5.365 0.400 1
1 520 . 16 1 1 A 45 45 MET C C 45 173.254 174.043 -0.789 1
1 521 . 16 1 1 A 45 45 MET CA C 45 54.810 54.421 0.389 1
1 522 . 16 1 1 A 45 45 MET CB C 45 38.632 36.886 1.746 1
1 525 . 16 1 1 A 45 45 MET N N 45 121.976 121.211 0.765 1
1 526 . 16 1 1 A 46 46 ASP H H 46 8.763 8.021 0.742 1
1 527 . 16 1 1 A 46 46 ASP HA H 46 4.373 4.537 -0.164 1
1 530 . 16 1 1 A 46 46 ASP C C 46 173.396 174.066 -0.670 1
1 531 . 16 1 1 A 46 46 ASP CA C 46 53.810 52.633 1.177 1
1 532 . 16 1 1 A 46 46 ASP CB C 46 44.722 44.067 0.655 1
1 533 . 16 1 1 A 46 46 ASP N N 46 121.797 122.554 -0.757 1
1 534 . 16 1 1 A 47 47 GLY H H 47 7.154 7.411 -0.257 1
1 535 . 16 1 1 A 47 47 GLY HA2 H 47 5.075 4.181 0.894 1
1 536 . 16 1 1 A 47 47 GLY HA3 H 47 3.927 4.217 -0.290 1
1 537 . 16 1 1 A 47 47 GLY C C 47 172.328 171.912 0.416 1
1 538 . 16 1 1 A 47 47 GLY CA C 47 45.820 45.364 0.456 1
1 539 . 16 1 1 A 47 47 GLY N N 47 105.470 109.482 -4.012 1
1 540 . 16 1 1 A 48 48 GLU H H 48 9.100 8.647 0.453 1
1 541 . 16 1 1 A 48 48 GLU HA H 48 5.257 5.489 -0.232 1
1 546 . 16 1 1 A 48 48 GLU C C 48 175.019 174.468 0.551 1
1 547 . 16 1 1 A 48 48 GLU CA C 48 56.247 55.100 1.147 1
1 548 . 16 1 1 A 48 48 GLU CB C 48 35.076 33.928 1.148 1
1 550 . 16 1 1 A 48 48 GLU N N 48 119.799 119.310 0.489 1
1 551 . 16 1 1 A 49 49 ILE H H 49 7.945 8.688 -0.743 1
1 552 . 16 1 1 A 49 49 ILE HA H 49 4.540 4.790 -0.250 1
1 562 . 16 1 1 A 49 49 ILE C C 49 176.382 175.895 0.487 1
1 563 . 16 1 1 A 49 49 ILE CA C 49 61.321 60.464 0.857 1
1 564 . 16 1 1 A 49 49 ILE CB C 49 41.847 40.346 1.501 1
1 568 . 16 1 1 A 49 49 ILE N N 49 120.718 120.715 0.003 1
1 569 . 16 1 1 A 50 50 ASP H H 50 10.048 9.347 0.701 1
1 570 . 16 1 1 A 50 50 ASP HA H 50 4.522 4.290 0.232 1
1 573 . 16 1 1 A 50 50 ASP C C 50 176.193 175.343 0.850 1
1 574 . 16 1 1 A 50 50 ASP CA C 50 56.872 55.061 1.811 1
1 575 . 16 1 1 A 50 50 ASP CB C 50 40.754 39.728 1.026 1
1 576 . 16 1 1 A 50 50 ASP N N 50 130.256 127.700 2.556 1
1 577 . 16 1 1 A 51 51 GLY H H 51 9.048 8.406 0.642 1
1 578 . 16 1 1 A 51 51 GLY HA2 H 51 4.126 3.878 0.248 1
1 579 . 16 1 1 A 51 51 GLY HA3 H 51 3.660 3.886 -0.226 1
1 580 . 16 1 1 A 51 51 GLY C C 51 173.935 173.834 0.101 1
1 581 . 16 1 1 A 51 51 GLY CA C 51 46.194 45.493 0.701 1
1 582 . 16 1 1 A 51 51 GLY N N 51 103.446 104.481 -1.035 1
1 583 . 16 1 1 A 52 52 LYS H H 52 7.905 7.746 0.159 1
1 584 . 16 1 1 A 52 52 LYS HA H 52 5.014 4.619 0.395 1
1 593 . 16 1 1 A 52 52 LYS CA C 52 53.809 53.197 0.612 1
1 594 . 16 1 1 A 52 52 LYS CB C 52 33.788 33.032 0.756 1
1 598 . 16 1 1 A 52 52 LYS N N 52 122.692 121.206 1.486 1
1 599 . 16 1 1 A 53 53 PRO HA H 53 5.523 5.384 0.139 1
1 606 . 16 1 1 A 53 53 PRO C C 53 176.300 176.676 -0.376 1
1 607 . 16 1 1 A 53 53 PRO CA C 53 62.896 62.496 0.400 1
1 608 . 16 1 1 A 53 53 PRO CB C 53 33.920 33.171 0.749 1
1 611 . 16 1 1 A 54 54 PHE H H 54 8.643 8.564 0.079 1
1 612 . 16 1 1 A 54 54 PHE HA H 54 4.907 5.192 -0.285 1
1 620 . 16 1 1 A 54 54 PHE C C 54 172.840 173.354 -0.514 1
1 621 . 16 1 1 A 54 54 PHE CA C 54 57.173 55.955 1.218 1
1 622 . 16 1 1 A 54 54 PHE CB C 54 43.620 42.393 1.227 1
1 628 . 16 1 1 A 54 54 PHE N N 54 117.436 118.317 -0.881 1
1 629 . 16 1 1 A 55 55 SER H H 55 8.009 8.644 -0.635 1
1 630 . 16 1 1 A 55 55 SER HA H 55 4.822 5.093 -0.271 1
1 633 . 16 1 1 A 55 55 SER C C 55 172.856 172.868 -0.012 1
1 634 . 16 1 1 A 55 55 SER CA C 55 58.238 57.583 0.655 1
1 635 . 16 1 1 A 55 55 SER CB C 55 66.163 65.384 0.779 1
1 636 . 16 1 1 A 55 55 SER N N 55 113.907 115.821 -1.914 1
1 637 . 16 1 1 A 56 56 ASP H H 56 9.593 9.076 0.517 1
1 638 . 16 1 1 A 56 56 ASP HA H 56 4.985 5.357 -0.372 1
1 641 . 16 1 1 A 56 56 ASP C C 56 175.049 174.620 0.429 1
1 642 . 16 1 1 A 56 56 ASP CA C 56 54.043 53.023 1.020 1
1 643 . 16 1 1 A 56 56 ASP CB C 56 46.425 45.486 0.939 1
1 644 . 16 1 1 A 56 56 ASP N N 56 125.145 125.296 -0.151 1
1 645 . 16 1 1 A 57 57 SER H H 57 10.207 8.691 1.516 1
1 646 . 16 1 1 A 57 57 SER HA H 57 5.383 5.452 -0.069 1
1 649 . 16 1 1 A 57 57 SER C C 57 172.452 173.655 -1.203 1
1 650 . 16 1 1 A 57 57 SER CA C 57 59.008 57.109 1.899 1
1 651 . 16 1 1 A 57 57 SER CB C 57 67.802 66.281 1.521 1
1 652 . 16 1 1 A 57 57 SER N N 57 115.172 113.621 1.551 1
1 653 . 16 1 1 A 58 58 PHE H H 58 8.623 8.571 0.052 1
1 654 . 16 1 1 A 58 58 PHE HA H 58 4.904 5.705 -0.801 1
1 662 . 16 1 1 A 58 58 PHE C C 58 172.447 173.049 -0.602 1
1 663 . 16 1 1 A 58 58 PHE CA C 58 57.781 55.359 2.422 1
1 664 . 16 1 1 A 58 58 PHE CB C 58 40.736 42.788 -2.052 1
1 670 . 16 1 1 A 58 58 PHE N N 58 115.065 118.274 -3.209 1
1 671 . 16 1 1 A 59 59 GLU H H 59 8.721 8.981 -0.260 1
1 672 . 16 1 1 A 59 59 GLU HA H 59 5.595 5.343 0.252 1
1 677 . 16 1 1 A 59 59 GLU C C 59 175.836 175.578 0.258 1
1 678 . 16 1 1 A 59 59 GLU CA C 59 55.290 55.595 -0.305 1
1 679 . 16 1 1 A 59 59 GLU CB C 59 34.345 32.668 1.677 1
1 681 . 16 1 1 A 59 59 GLU N N 59 118.122 120.153 -2.031 1
1 682 . 16 1 1 A 60 60 LEU H H 60 9.016 9.061 -0.045 1
1 683 . 16 1 1 A 60 60 LEU HA H 60 5.221 4.981 0.240 1
1 693 . 16 1 1 A 60 60 LEU CA C 60 52.275 51.191 1.084 1
1 694 . 16 1 1 A 60 60 LEU CB C 60 46.774 44.785 1.989 1
1 698 . 16 1 1 A 60 60 LEU N N 60 121.299 126.406 -5.107 1
1 699 . 16 1 1 A 61 61 PRO HA H 61 4.614 4.707 -0.093 1
1 706 . 16 1 1 A 61 61 PRO C C 61 176.316 177.863 -1.547 1
1 707 . 16 1 1 A 61 61 PRO CA C 61 62.719 62.898 -0.179 1
1 708 . 16 1 1 A 61 61 PRO CB C 61 33.758 32.593 1.165 1
1 711 . 16 1 1 A 62 62 ARG H H 62 8.017 9.070 -1.053 1
1 712 . 16 1 1 A 62 62 ARG HA H 62 3.738 3.848 -0.110 1
1 719 . 16 1 1 A 62 62 ARG C C 62 176.976 177.628 -0.652 1
1 720 . 16 1 1 A 62 62 ARG CA C 62 60.653 59.501 1.152 1
1 721 . 16 1 1 A 62 62 ARG CB C 62 31.549 30.211 1.338 1
1 724 . 16 1 1 A 62 62 ARG N N 62 118.159 122.672 -4.513 1
1 725 . 16 1 1 A 63 63 ASP H H 63 8.665 8.112 0.553 1
1 726 . 16 1 1 A 63 63 ASP HA H 63 4.484 4.502 -0.018 1
1 729 . 16 1 1 A 63 63 ASP C C 63 177.483 176.880 0.603 1
1 730 . 16 1 1 A 63 63 ASP CA C 63 57.335 56.277 1.058 1
1 731 . 16 1 1 A 63 63 ASP CB C 63 41.410 40.987 0.423 1
1 732 . 16 1 1 A 63 63 ASP N N 63 113.726 119.726 -6.000 1
1 733 . 16 1 1 A 64 64 THR H H 64 7.553 7.881 -0.328 1
1 734 . 16 1 1 A 64 64 THR HA H 64 4.562 4.795 -0.233 1
1 739 . 16 1 1 A 64 64 THR C C 64 175.654 175.450 0.204 1
1 740 . 16 1 1 A 64 64 THR CA C 64 61.499 60.852 0.647 1
1 741 . 16 1 1 A 64 64 THR CB C 64 69.606 69.262 0.344 1
1 743 . 16 1 1 A 64 64 THR N N 64 107.855 106.447 1.408 1
1 744 . 16 1 1 A 65 65 ALA H H 65 7.406 7.656 -0.250 1
1 745 . 16 1 1 A 65 65 ALA HA H 65 4.012 4.199 -0.187 1
1 749 . 16 1 1 A 65 65 ALA C C 65 176.820 180.039 -3.219 1
1 750 . 16 1 1 A 65 65 ALA CA C 65 55.939 54.889 1.050 1
1 751 . 16 1 1 A 65 65 ALA CB C 65 19.454 18.286 1.168 1
1 752 . 16 1 1 A 65 65 ALA N N 65 123.777 125.689 -1.912 1
1 753 . 16 1 1 A 66 66 PHE H H 66 7.583 7.796 -0.213 1
1 754 . 16 1 1 A 66 66 PHE HA H 66 4.381 5.080 -0.699 1
1 762 . 16 1 1 A 66 66 PHE C C 66 176.104 177.530 -1.426 1
1 763 . 16 1 1 A 66 66 PHE CA C 66 58.836 60.793 -1.957 1
1 764 . 16 1 1 A 66 66 PHE CB C 66 37.740 38.145 -0.405 1
1 770 . 16 1 1 A 66 66 PHE N N 66 110.346 115.392 -5.046 1
1 771 . 16 1 1 A 67 67 ASN H H 67 7.984 8.695 -0.711 1
1 772 . 16 1 1 A 67 67 ASN HA H 67 4.848 4.745 0.103 1
1 777 . 16 1 1 A 67 67 ASN C C 67 175.700 176.975 -1.275 1
1 778 . 16 1 1 A 67 67 ASN CA C 67 53.469 54.027 -0.558 1
1 779 . 16 1 1 A 67 67 ASN CB C 67 38.836 38.598 0.238 1
1 780 . 16 1 1 A 67 67 ASN N N 67 120.591 118.825 1.766 1
1 782 . 16 1 1 A 68 68 PHE H H 68 7.218 7.964 -0.746 1
1 783 . 16 1 1 A 68 68 PHE HA H 68 4.054 4.283 -0.229 1
1 790 . 16 1 1 A 68 68 PHE C C 68 174.796 177.060 -2.264 1
1 791 . 16 1 1 A 68 68 PHE CA C 68 60.849 59.745 1.104 1
1 792 . 16 1 1 A 68 68 PHE CB C 68 40.263 37.322 2.941 1
1 797 . 16 1 1 A 68 68 PHE N N 68 115.915 119.010 -3.095 1
1 798 . 16 1 1 A 69 69 ALA H H 69 7.780 7.731 0.049 1
1 799 . 16 1 1 A 69 69 ALA HA H 69 3.484 3.687 -0.203 1
1 803 . 16 1 1 A 69 69 ALA C C 69 180.022 179.484 0.538 1
1 804 . 16 1 1 A 69 69 ALA CA C 69 56.283 54.690 1.593 1
1 805 . 16 1 1 A 69 69 ALA CB C 69 18.935 18.017 0.918 1
1 806 . 16 1 1 A 69 69 ALA N N 69 124.604 123.710 0.894 1
1 807 . 16 1 1 A 70 70 SER H H 70 7.852 7.726 0.126 1
1 808 . 16 1 1 A 70 70 SER HA H 70 4.061 4.025 0.036 1
1 811 . 16 1 1 A 70 70 SER C C 70 177.054 175.859 1.195 1
1 812 . 16 1 1 A 70 70 SER CA C 70 62.085 61.433 0.652 1
1 813 . 16 1 1 A 70 70 SER CB C 70 62.976 63.072 -0.096 1
1 814 . 16 1 1 A 70 70 SER N N 70 114.973 113.279 1.694 1
1 815 . 16 1 1 A 71 71 ASP H H 71 7.602 7.981 -0.379 1
1 816 . 16 1 1 A 71 71 ASP HA H 71 4.012 4.151 -0.139 1
1 819 . 16 1 1 A 71 71 ASP C C 71 177.086 177.745 -0.659 1
1 820 . 16 1 1 A 71 71 ASP CA C 71 58.501 56.804 1.697 1
1 821 . 16 1 1 A 71 71 ASP CB C 71 42.006 40.707 1.299 1
1 822 . 16 1 1 A 71 71 ASP N N 71 123.211 121.860 1.351 1
1 823 . 16 1 1 A 72 72 ALA H H 72 8.406 8.167 0.239 1
1 824 . 16 1 1 A 72 72 ALA HA H 72 3.671 4.098 -0.427 1
1 828 . 16 1 1 A 72 72 ALA C C 72 179.377 179.514 -0.137 1
1 829 . 16 1 1 A 72 72 ALA CA C 72 55.717 55.329 0.388 1
1 830 . 16 1 1 A 72 72 ALA CB C 72 18.658 18.095 0.563 1
1 831 . 16 1 1 A 72 72 ALA N N 72 119.793 121.687 -1.894 1
1 832 . 16 1 1 A 73 73 THR H H 73 7.631 7.508 0.123 1
1 833 . 16 1 1 A 73 73 THR HA H 73 3.562 3.937 -0.375 1
1 838 . 16 1 1 A 73 73 THR C C 73 175.072 176.000 -0.928 1
1 839 . 16 1 1 A 73 73 THR CA C 73 68.525 66.561 1.964 1
1 840 . 16 1 1 A 73 73 THR CB C 73 69.564 68.205 1.359 1
1 842 . 16 1 1 A 73 73 THR N N 73 114.702 114.985 -0.283 1
1 843 . 16 1 1 A 74 74 ARG H H 74 7.629 7.747 -0.118 1
1 844 . 16 1 1 A 74 74 ARG HA H 74 3.795 3.934 -0.139 1
1 851 . 16 1 1 A 74 74 ARG C C 74 176.832 178.532 -1.700 1
1 852 . 16 1 1 A 74 74 ARG CA C 74 60.580 58.824 1.756 1
1 853 . 16 1 1 A 74 74 ARG CB C 74 30.409 29.694 0.715 1
1 856 . 16 1 1 A 74 74 ARG N N 74 122.528 120.521 2.007 1
1 857 . 16 1 1 A 75 75 VAL H H 75 8.008 7.888 0.120 1
1 858 . 16 1 1 A 75 75 VAL HA H 75 3.439 3.642 -0.203 1
1 866 . 16 1 1 A 75 75 VAL C C 75 177.802 177.971 -0.169 1
1 867 . 16 1 1 A 75 75 VAL CA C 75 67.492 66.566 0.926 1
1 868 . 16 1 1 A 75 75 VAL CB C 75 32.220 31.681 0.539 1
1 871 . 16 1 1 A 75 75 VAL N N 75 120.044 119.614 0.430 1
1 872 . 16 1 1 A 76 76 ALA H H 76 8.092 7.894 0.198 1
1 873 . 16 1 1 A 76 76 ALA HA H 76 3.537 3.980 -0.443 1
1 877 . 16 1 1 A 76 76 ALA C C 76 180.078 179.473 0.605 1
1 878 . 16 1 1 A 76 76 ALA CA C 76 56.194 55.589 0.605 1
1 879 . 16 1 1 A 76 76 ALA CB C 76 18.882 18.193 0.689 1
1 880 . 16 1 1 A 76 76 ALA N N 76 120.726 122.145 -1.419 1
1 881 . 16 1 1 A 77 77 GLN H H 77 8.432 8.177 0.255 1
1 882 . 16 1 1 A 77 77 GLN HA H 77 4.428 4.002 0.426 1
1 885 . 16 1 1 A 77 77 GLN CA C 77 58.987 58.345 0.642 1
1 887 . 16 1 1 A 77 77 GLN N N 77 118.235 116.189 2.046 1
1 888 . 16 1 1 A 78 78 LYS H H 78 7.655 7.498 0.157 1
1 889 . 16 1 1 A 78 78 LYS HA H 78 3.874 3.898 -0.024 1
1 898 . 16 1 1 A 78 78 LYS C C 78 177.044 177.740 -0.696 1
1 899 . 16 1 1 A 78 78 LYS CA C 78 59.393 58.695 0.698 1
1 900 . 16 1 1 A 78 78 LYS CB C 78 32.583 31.838 0.745 1
1 904 . 16 1 1 A 78 78 LYS N N 78 121.797 120.670 1.127 1
1 905 . 16 1 1 A 79 79 HIS H H 79 6.888 7.066 -0.178 1
1 906 . 16 1 1 A 79 79 HIS HA H 79 4.501 4.494 0.007 1
1 909 . 16 1 1 A 79 79 HIS C C 79 174.191 174.952 -0.761 1
1 910 . 16 1 1 A 79 79 HIS CA C 79 56.166 56.152 0.014 1
1 911 . 16 1 1 A 79 79 HIS CB C 79 30.993 29.637 1.356 1
1 912 . 16 1 1 A 79 79 HIS N N 79 115.368 115.083 0.285 1
1 913 . 16 1 1 A 80 80 GLY H H 80 7.159 7.630 -0.471 1
1 914 . 16 1 1 A 80 80 GLY HA2 H 80 4.433 3.883 0.550 1
1 915 . 16 1 1 A 80 80 GLY HA3 H 80 3.541 3.884 -0.343 1
1 916 . 16 1 1 A 80 80 GLY C C 80 175.246 175.168 0.078 1
1 917 . 16 1 1 A 80 80 GLY CA C 80 45.823 46.393 -0.570 1
1 918 . 16 1 1 A 80 80 GLY N N 80 104.319 107.758 -3.439 1
1 919 . 16 1 1 A 81 81 LEU H H 81 7.962 7.283 0.679 1
1 920 . 16 1 1 A 81 81 LEU HA H 81 4.012 3.839 0.173 1
1 930 . 16 1 1 A 81 81 LEU CA C 81 56.383 57.447 -1.064 1
1 931 . 16 1 1 A 81 81 LEU CB C 81 43.506 42.584 0.922 1
1 935 . 16 1 1 A 81 81 LEU N N 81 124.945 121.731 3.214 1
1 936 . 16 1 1 A 83 83 PRO HA H 83 4.248 4.607 -0.359 1
1 943 . 16 1 1 A 83 83 PRO CA C 83 65.606 62.373 3.233 1
1 944 . 16 1 1 A 83 83 PRO CB C 83 32.805 33.538 -0.733 1
1 947 . 16 1 1 A 84 84 LYS HA H 84 4.132 3.947 0.185 1
1 956 . 16 1 1 A 84 84 LYS CA C 84 59.351 58.573 0.778 1
1 957 . 16 1 1 A 84 84 LYS CB C 84 33.109 31.811 1.298 1
1 961 . 16 1 1 A 85 85 PHE HA H 85 3.941 4.338 -0.397 1
1 964 . 16 1 1 A 85 85 PHE CA C 85 59.693 59.615 0.078 1
1 965 . 16 1 1 A 85 85 PHE CB C 85 39.968 38.975 0.993 1
1 966 . 16 1 1 A 86 86 GLY HA2 H 86 3.721 4.095 -0.374 1
1 967 . 16 1 1 A 86 86 GLY HA3 H 86 3.659 4.097 -0.438 1
1 968 . 16 1 1 A 86 86 GLY CA C 86 44.471 45.574 -1.103 1
1 969 . 16 1 1 A 87 87 ALA HA H 87 4.274 4.328 -0.054 1
1 973 . 16 1 1 A 87 87 ALA CA C 87 53.390 55.073 -1.683 1
1 974 . 16 1 1 A 87 87 ALA CB C 87 20.262 19.185 1.077 1
1 975 . 16 1 1 A 88 88 ILE HA H 88 4.015 4.497 -0.482 1
1 985 . 16 1 1 A 88 88 ILE CA C 88 63.697 59.141 4.556 1
1 986 . 16 1 1 A 88 88 ILE CB C 88 38.931 38.154 0.777 1
1 990 . 16 1 1 A 89 89 THR HA H 89 4.224 4.084 0.140 1
1 994 . 16 1 1 A 89 89 THR CA C 89 63.088 66.339 -3.251 1
1 996 . 16 1 1 A 90 90 ARG HA H 90 4.105 4.550 -0.445 1
1 1003 . 16 1 1 A 90 90 ARG CA C 90 58.412 55.346 3.066 1
1 1004 . 16 1 1 A 90 90 ARG CB C 90 30.907 28.808 2.099 1
1 1007 . 16 1 1 A 91 91 VAL HA H 91 4.047 4.116 -0.069 1
1 1015 . 16 1 1 A 91 91 VAL C C 91 175.627 176.305 -0.678 1
1 1016 . 16 1 1 A 91 91 VAL CA C 91 62.923 62.506 0.417 1
1 1017 . 16 1 1 A 91 91 VAL CB C 91 32.060 32.884 -0.824 1
1 1020 . 16 1 1 A 92 92 HIS HA H 92 4.567 4.682 -0.115 1
1 1023 . 16 1 1 A 92 92 HIS CA C 92 57.021 56.607 0.414 1
1 1024 . 16 1 1 A 92 92 HIS CB C 92 31.579 30.356 1.223 1
1 1025 . 16 1 1 A 93 93 LYS H H 93 8.490 8.606 -0.116 1
1 1026 . 16 1 1 A 93 93 LYS HA H 93 4.149 4.294 -0.145 1
1 1035 . 16 1 1 A 93 93 LYS CA C 93 58.472 56.483 1.989 1
1 1036 . 16 1 1 A 93 93 LYS CB C 93 32.632 32.024 0.608 1
1 1040 . 16 1 1 A 93 93 LYS N N 93 123.001 121.116 1.885 1
1 1041 . 16 1 1 A 94 94 GLU HA H 94 4.265 4.232 0.033 1
1 1046 . 16 1 1 A 94 94 GLU CA C 94 57.682 58.385 -0.703 1
1 1047 . 16 1 1 A 94 94 GLU CB C 94 30.952 29.491 1.461 1
1 1049 . 16 1 1 A 95 95 TYR HA H 95 4.205 4.335 -0.130 1
1 1056 . 16 1 1 A 95 95 TYR C C 95 176.555 177.533 -0.978 1
1 1057 . 16 1 1 A 95 95 TYR CA C 95 60.582 61.434 -0.852 1
1 1058 . 16 1 1 A 95 95 TYR CB C 95 39.000 38.615 0.385 1
1 1063 . 16 1 1 A 96 96 ASP H H 96 8.104 7.837 0.267 1
1 1064 . 16 1 1 A 96 96 ASP HA H 96 4.252 4.044 0.208 1
1 1067 . 16 1 1 A 96 96 ASP CA C 96 58.583 57.095 1.488 1
1 1068 . 16 1 1 A 96 96 ASP CB C 96 41.058 39.997 1.061 1
1 1069 . 16 1 1 A 96 96 ASP N N 96 120.068 119.036 1.032 1
1 1070 . 16 1 1 A 97 97 ALA HA H 97 3.964 4.099 -0.135 1
1 1074 . 16 1 1 A 97 97 ALA C C 97 179.912 179.331 0.581 1
1 1075 . 16 1 1 A 97 97 ALA CA C 97 55.582 55.234 0.348 1
1 1076 . 16 1 1 A 97 97 ALA CB C 97 18.849 18.158 0.691 1
1 1077 . 16 1 1 A 98 98 MET H H 98 7.422 7.707 -0.285 1
1 1078 . 16 1 1 A 98 98 MET HA H 98 3.847 4.069 -0.222 1
1 1083 . 16 1 1 A 98 98 MET C C 98 177.185 178.187 -1.002 1
1 1084 . 16 1 1 A 98 98 MET CA C 98 59.943 58.293 1.650 1
1 1085 . 16 1 1 A 98 98 MET CB C 98 32.583 31.859 0.724 1
1 1087 . 16 1 1 A 98 98 MET N N 98 120.651 118.756 1.895 1
1 1088 . 16 1 1 A 99 99 PHE H H 99 8.652 8.606 0.046 1
1 1089 . 16 1 1 A 99 99 PHE HA H 99 4.150 4.087 0.063 1
1 1097 . 16 1 1 A 99 99 PHE C C 99 177.911 177.819 0.092 1
1 1098 . 16 1 1 A 99 99 PHE CA C 99 61.936 61.527 0.409 1
1 1099 . 16 1 1 A 99 99 PHE CB C 99 39.302 38.762 0.540 1
1 1105 . 16 1 1 A 99 99 PHE N N 99 119.857 120.632 -0.775 1
1 1106 . 16 1 1 A 100 100 GLU H H 100 8.232 8.223 0.009 1
1 1107 . 16 1 1 A 100 100 GLU HA H 100 4.094 4.019 0.075 1
1 1112 . 16 1 1 A 100 100 GLU CA C 100 59.579 59.805 -0.226 1
1 1113 . 16 1 1 A 100 100 GLU CB C 100 29.878 28.869 1.009 1
1 1115 . 16 1 1 A 100 100 GLU N N 100 117.666 118.113 -0.447 1
1 1116 . 16 1 1 A 101 101 ASP HA H 101 4.568 4.496 0.072 1
1 1119 . 16 1 1 A 101 101 ASP C C 101 177.667 178.679 -1.012 1
1 1120 . 16 1 1 A 101 101 ASP CA C 101 58.940 57.728 1.212 1
1 1121 . 16 1 1 A 101 101 ASP CB C 101 43.462 41.455 2.007 1
1 1122 . 16 1 1 A 102 102 ILE H H 102 8.370 8.120 0.250 1
1 1123 . 16 1 1 A 102 102 ILE HA H 102 3.319 3.651 -0.332 1
1 1133 . 16 1 1 A 102 102 ILE C C 102 177.347 178.454 -1.107 1
1 1134 . 16 1 1 A 102 102 ILE CA C 102 67.567 65.352 2.215 1
1 1135 . 16 1 1 A 102 102 ILE CB C 102 38.766 37.622 1.144 1
1 1139 . 16 1 1 A 102 102 ILE N N 102 118.449 119.248 -0.799 1
1 1140 . 16 1 1 A 103 103 ARG H H 103 8.450 8.396 0.054 1
1 1141 . 16 1 1 A 103 103 ARG HA H 103 3.834 4.248 -0.414 1
1 1148 . 16 1 1 A 103 103 ARG C C 103 178.760 178.358 0.402 1
1 1149 . 16 1 1 A 103 103 ARG CA C 103 61.318 58.605 2.713 1
1 1150 . 16 1 1 A 103 103 ARG CB C 103 30.978 29.798 1.180 1
1 1153 . 16 1 1 A 103 103 ARG N N 103 118.941 120.649 -1.708 1
1 1154 . 16 1 1 A 104 104 ALA H H 104 8.289 8.073 0.216 1
1 1155 . 16 1 1 A 104 104 ALA HA H 104 4.072 4.109 -0.037 1
1 1159 . 16 1 1 A 104 104 ALA C C 104 181.340 179.645 1.695 1
1 1160 . 16 1 1 A 104 104 ALA CA C 104 56.021 55.254 0.767 1
1 1161 . 16 1 1 A 104 104 ALA CB C 104 18.962 18.277 0.685 1
1 1162 . 16 1 1 A 104 104 ALA N N 104 121.028 122.112 -1.084 1
1 1163 . 16 1 1 A 105 105 LYS H H 105 8.231 8.318 -0.087 1
1 1164 . 16 1 1 A 105 105 LYS HA H 105 4.013 4.046 -0.033 1
1 1173 . 16 1 1 A 105 105 LYS C C 105 179.414 179.458 -0.044 1
1 1174 . 16 1 1 A 105 105 LYS CA C 105 60.025 59.481 0.544 1
1 1175 . 16 1 1 A 105 105 LYS CB C 105 34.341 32.708 1.633 1
1 1179 . 16 1 1 A 105 105 LYS N N 105 118.789 117.791 0.998 1
1 1180 . 16 1 1 A 106 106 LEU H H 106 8.289 8.388 -0.099 1
1 1181 . 16 1 1 A 106 106 LEU HA H 106 4.043 3.997 0.046 1
1 1191 . 16 1 1 A 106 106 LEU C C 106 178.091 178.636 -0.545 1
1 1192 . 16 1 1 A 106 106 LEU CA C 106 57.469 57.788 -0.319 1
1 1193 . 16 1 1 A 106 106 LEU CB C 106 43.248 41.025 2.223 1
1 1197 . 16 1 1 A 106 106 LEU N N 106 119.086 119.817 -0.731 1
1 1198 . 16 1 1 A 107 107 HIS H H 107 7.861 8.009 -0.148 1
1 1199 . 16 1 1 A 107 107 HIS HA H 107 4.428 4.387 0.041 1
1 1203 . 16 1 1 A 107 107 HIS C C 107 175.263 175.221 0.042 1
1 1204 . 16 1 1 A 107 107 HIS CA C 107 58.218 58.342 -0.124 1
1 1205 . 16 1 1 A 107 107 HIS CB C 107 30.819 30.451 0.368 1
1 1207 . 16 1 1 A 107 107 HIS N N 107 118.172 118.498 -0.326 1
1 1208 . 16 1 1 A 108 108 ALA H H 108 7.505 7.795 -0.290 1
1 1209 . 16 1 1 A 108 108 ALA HA H 108 4.218 3.897 0.321 1
1 1213 . 16 1 1 A 108 108 ALA C C 108 179.374 176.664 2.710 1
1 1214 . 16 1 1 A 108 108 ALA CA C 108 53.303 55.104 -1.801 1
1 1215 . 16 1 1 A 108 108 ALA CB C 108 20.005 17.285 2.720 1
1 1216 . 16 1 1 A 108 108 ALA N N 108 121.363 120.706 0.657 1
1 1217 . 16 1 1 A 109 109 HIS H H 109 7.987 8.182 -0.195 1
1 1218 . 16 1 1 A 109 109 HIS HA H 109 4.770 4.870 -0.100 1
1 1221 . 16 1 1 A 109 109 HIS CA C 109 55.217 53.741 1.476 1
1 1222 . 16 1 1 A 109 109 HIS CB C 109 31.250 30.473 0.777 1
1 1223 . 16 1 1 A 109 109 HIS N N 109 120.133 116.398 3.735 1
1 1224 . 16 1 1 A 110 110 PRO HA H 110 4.368 4.668 -0.300 1
1 1231 . 16 1 1 A 110 110 PRO C C 110 177.350 176.369 0.981 1
1 1232 . 16 1 1 A 110 110 PRO CA C 110 64.430 62.527 1.903 1
1 1233 . 16 1 1 A 110 110 PRO CB C 110 32.912 32.037 0.875 1
1 1236 . 16 1 1 A 111 111 GLY H H 111 8.492 8.762 -0.270 1
1 1237 . 16 1 1 A 111 111 GLY HA2 H 111 3.925 4.005 -0.080 1
1 1238 . 16 1 1 A 111 111 GLY HA3 H 111 3.925 4.032 -0.107 1
1 1239 . 16 1 1 A 111 111 GLY C C 111 173.681 174.233 -0.552 1
1 1240 . 16 1 1 A 111 111 GLY CA C 111 45.831 46.151 -0.320 1
1 1241 . 16 1 1 A 111 111 GLY N N 111 109.622 109.255 0.367 1
1 1242 . 16 1 1 A 112 112 GLU H H 112 8.139 8.683 -0.544 1
1 1243 . 16 1 1 A 112 112 GLU HA H 112 4.573 4.548 0.025 1
1 1248 . 16 1 1 A 112 112 GLU CA C 112 55.099 55.369 -0.270 1
1 1249 . 16 1 1 A 112 112 GLU CB C 112 30.664 29.915 0.749 1
1 1251 . 16 1 1 A 112 112 GLU N N 112 121.771 123.142 -1.371 1
1 1252 . 16 1 1 A 113 113 PRO HA H 113 4.411 4.672 -0.261 1
1 1259 . 16 1 1 A 113 113 PRO C C 113 176.943 176.513 0.430 1
1 1260 . 16 1 1 A 113 113 PRO CA C 113 63.990 62.847 1.143 1
1 1261 . 16 1 1 A 113 113 PRO CB C 113 32.817 31.701 1.116 1
1 1264 . 16 1 1 A 114 114 VAL H H 114 8.226 8.219 0.007 1
1 1265 . 16 1 1 A 114 114 VAL HA H 114 4.036 4.213 -0.177 1
1 1273 . 16 1 1 A 114 114 VAL C C 114 175.708 176.074 -0.366 1
1 1274 . 16 1 1 A 114 114 VAL CA C 114 63.021 61.931 1.090 1
1 1275 . 16 1 1 A 114 114 VAL CB C 114 33.996 32.471 1.525 1
1 1278 . 16 1 1 A 114 114 VAL N N 114 120.138 122.813 -2.675 1
1 1279 . 16 1 1 A 115 115 ASP H H 115 8.313 8.509 -0.196 1
1 1280 . 16 1 1 A 115 115 ASP HA H 115 4.587 5.046 -0.459 1
1 1283 . 16 1 1 A 115 115 ASP C C 115 176.361 176.909 -0.548 1
1 1284 . 16 1 1 A 115 115 ASP CA C 115 54.760 52.796 1.964 1
1 1285 . 16 1 1 A 115 115 ASP CB C 115 41.888 40.812 1.076 1
1 1286 . 16 1 1 A 115 115 ASP N N 115 123.840 125.950 -2.110 1
1 1287 . 16 1 1 A 116 116 LEU H H 116 8.202 8.258 -0.056 1
1 1288 . 16 1 1 A 116 116 LEU HA H 116 4.168 3.940 0.228 1
1 1298 . 16 1 1 A 116 116 LEU C C 116 177.811 178.765 -0.954 1
1 1299 . 16 1 1 A 116 116 LEU CA C 116 56.696 57.977 -1.281 1
1 1300 . 16 1 1 A 116 116 LEU CB C 116 43.084 41.334 1.750 1
1 1304 . 16 1 1 A 116 116 LEU N N 116 123.362 120.740 2.622 1
1 1305 . 16 1 1 A 117 117 GLU H H 117 8.311 8.145 0.166 1
1 1306 . 16 1 1 A 117 117 GLU HA H 117 4.141 4.051 0.090 1
1 1311 . 16 1 1 A 117 117 GLU C C 117 176.687 178.552 -1.865 1
1 1312 . 16 1 1 A 117 117 GLU CA C 117 57.937 59.012 -1.075 1
1 1313 . 16 1 1 A 117 117 GLU CB C 117 30.685 29.054 1.631 1
1 1315 . 16 1 1 A 117 117 GLU N N 117 119.881 119.039 0.842 1
1 1316 . 16 1 1 A 118 118 ARG H H 118 7.930 7.931 -0.001 1
1 1317 . 16 1 1 A 118 118 ARG HA H 118 4.223 4.131 0.092 1
1 1324 . 16 1 1 A 118 118 ARG C C 118 176.125 178.588 -2.463 1
1 1325 . 16 1 1 A 118 118 ARG CA C 118 57.133 58.551 -1.418 1
1 1326 . 16 1 1 A 118 118 ARG CB C 118 31.445 29.965 1.480 1
1 1329 . 16 1 1 A 118 118 ARG N N 118 120.580 120.146 0.434 1
1 1330 . 16 1 1 A 119 119 ILE H H 119 7.926 7.709 0.217 1
1 1331 . 16 1 1 A 119 119 ILE HA H 119 4.041 4.016 0.025 1
1 1341 . 16 1 1 A 119 119 ILE C C 119 176.166 176.817 -0.651 1
1 1342 . 16 1 1 A 119 119 ILE CA C 119 62.131 64.456 -2.325 1
1 1343 . 16 1 1 A 119 119 ILE CB C 119 39.327 37.802 1.525 1
1 1347 . 16 1 1 A 119 119 ILE N N 119 121.721 118.778 2.943 1
1 1348 . 16 1 1 A 120 120 ILE H H 120 8.152 7.676 0.476 1
1 1349 . 16 1 1 A 120 120 ILE HA H 120 4.038 4.288 -0.250 1
1 1359 . 16 1 1 A 120 120 ILE C C 120 175.922 174.778 1.144 1
1 1360 . 16 1 1 A 120 120 ILE CA C 120 61.812 61.276 0.536 1
1 1361 . 16 1 1 A 120 120 ILE CB C 120 39.091 36.091 3.000 1
1 1365 . 16 1 1 A 120 120 ILE N N 120 125.274 121.759 3.515 1
1 1366 . 16 1 1 A 121 121 ARG H H 121 8.266 8.663 -0.397 1
1 1367 . 16 1 1 A 121 121 ARG HA H 121 4.293 4.852 -0.559 1
1 1374 . 16 1 1 A 121 121 ARG CA C 121 56.489 54.733 1.756 1
1 1375 . 16 1 1 A 121 121 ARG CB C 121 31.785 30.996 0.789 1
1 1378 . 16 1 1 A 121 121 ARG N N 121 125.412 126.682 -1.270 1
1 1379 . 16 1 1 A 122 122 HIS HA H 122 5.066 4.740 0.326 1
1 1383 . 16 1 1 A 122 122 HIS C C 122 175.210 174.420 0.790 1
1 1384 . 16 1 1 A 122 122 HIS CA C 122 56.554 56.821 -0.267 1
1 1385 . 16 1 1 A 122 122 HIS CB C 122 32.905 30.362 2.543 1
1 1387 . 16 1 1 A 123 123 GLU H H 123 8.936 8.559 0.377 1
1 1388 . 16 1 1 A 123 123 GLU N N 123 121.008 126.936 -5.928 1
1 1389 . 16 1 1 A 124 124 GLY HA2 H 124 3.984 3.980 0.004 1
1 1390 . 16 1 1 A 124 124 GLY HA3 H 124 3.913 4.005 -0.092 1
1 1391 . 16 1 1 A 124 124 GLY C C 124 173.408 173.686 -0.278 1
1 1392 . 16 1 1 A 124 124 GLY CA C 124 46.124 45.803 0.321 1
1 10 . 17 1 1 A 2 2 GLY H H 2 8.402 8.784 -0.382 1
1 11 . 17 1 1 A 2 2 GLY HA2 H 2 3.903 3.974 -0.071 1
1 12 . 17 1 1 A 2 2 GLY HA3 H 2 3.903 4.001 -0.098 1
1 13 . 17 1 1 A 2 2 GLY C C 2 172.919 174.195 -1.276 1
1 14 . 17 1 1 A 2 2 GLY CA C 2 45.814 44.824 0.990 1
1 15 . 17 1 1 A 2 2 GLY N N 2 110.769 111.700 -0.931 1
1 16 . 17 1 1 A 3 3 HIS H H 3 8.198 8.342 -0.144 1
1 17 . 17 1 1 A 3 3 HIS N N 3 120.514 117.322 3.192 1
1 18 . 17 1 1 A 4 4 MET HA H 4 4.688 4.528 0.160 1
1 26 . 17 1 1 A 4 4 MET CA C 4 56.462 53.515 2.947 1
1 27 . 17 1 1 A 4 4 MET CB C 4 35.293 34.749 0.544 1
1 30 . 17 1 1 A 5 5 PHE H H 5 8.690 8.937 -0.247 1
1 31 . 17 1 1 A 5 5 PHE HA H 5 5.254 4.774 0.480 1
1 39 . 17 1 1 A 5 5 PHE C C 5 173.490 174.835 -1.345 1
1 40 . 17 1 1 A 5 5 PHE CA C 5 58.548 58.771 -0.223 1
1 41 . 17 1 1 A 5 5 PHE CB C 5 43.312 40.265 3.047 1
1 47 . 17 1 1 A 5 5 PHE N N 5 123.462 123.359 0.103 1
1 48 . 17 1 1 A 6 6 GLU H H 6 7.963 8.685 -0.722 1
1 49 . 17 1 1 A 6 6 GLU HA H 6 4.182 4.784 -0.602 1
1 54 . 17 1 1 A 6 6 GLU CA C 6 53.572 53.375 0.197 1
1 55 . 17 1 1 A 6 6 GLU CB C 6 31.259 32.548 -1.289 1
1 57 . 17 1 1 A 6 6 GLU N N 6 127.826 124.163 3.663 1
1 58 . 17 1 1 A 7 7 PRO HA H 7 3.783 4.180 -0.397 1
1 65 . 17 1 1 A 7 7 PRO C C 7 177.433 177.407 0.026 1
1 66 . 17 1 1 A 7 7 PRO CA C 7 66.503 63.686 2.817 1
1 67 . 17 1 1 A 7 7 PRO CB C 7 31.785 31.289 0.496 1
1 70 . 17 1 1 A 8 8 GLY H H 8 7.537 8.699 -1.162 1
1 71 . 17 1 1 A 8 8 GLY HA2 H 8 3.896 3.377 0.519 1
1 72 . 17 1 1 A 8 8 GLY HA3 H 8 2.085 3.659 -1.574 1
1 73 . 17 1 1 A 8 8 GLY C C 8 174.730 172.806 1.924 1
1 74 . 17 1 1 A 8 8 GLY CA C 8 46.895 44.765 2.130 1
1 75 . 17 1 1 A 8 8 GLY N N 8 111.178 112.605 -1.427 1
1 76 . 17 1 1 A 9 9 HIS H H 9 9.112 7.331 1.781 1
1 77 . 17 1 1 A 9 9 HIS HA H 9 5.699 4.778 0.921 1
1 81 . 17 1 1 A 9 9 HIS C C 9 170.886 172.585 -1.699 1
1 82 . 17 1 1 A 9 9 HIS CA C 9 55.252 55.936 -0.684 1
1 83 . 17 1 1 A 9 9 HIS CB C 9 32.029 33.276 -1.247 1
1 85 . 17 1 1 A 9 9 HIS N N 9 122.719 118.546 4.173 1
1 86 . 17 1 1 A 10 10 LEU H H 10 9.637 9.177 0.460 1
1 87 . 17 1 1 A 10 10 LEU HA H 10 5.198 5.358 -0.160 1
1 97 . 17 1 1 A 10 10 LEU C C 10 173.565 175.042 -1.477 1
1 98 . 17 1 1 A 10 10 LEU CA C 10 54.377 53.915 0.462 1
1 99 . 17 1 1 A 10 10 LEU CB C 10 46.916 45.442 1.474 1
1 103 . 17 1 1 A 10 10 LEU N N 10 130.516 130.092 0.424 1
1 104 . 17 1 1 A 11 11 HIS H H 11 9.237 9.063 0.174 1
1 105 . 17 1 1 A 11 11 HIS HA H 11 5.478 5.927 -0.449 1
1 109 . 17 1 1 A 11 11 HIS C C 11 173.559 173.390 0.169 1
1 110 . 17 1 1 A 11 11 HIS CA C 11 53.302 53.592 -0.290 1
1 111 . 17 1 1 A 11 11 HIS CB C 11 34.638 32.923 1.715 1
1 113 . 17 1 1 A 11 11 HIS N N 11 128.715 126.096 2.619 1
1 114 . 17 1 1 A 12 12 LEU H H 12 9.370 9.181 0.189 1
1 115 . 17 1 1 A 12 12 LEU HA H 12 4.863 4.858 0.005 1
1 125 . 17 1 1 A 12 12 LEU CA C 12 54.243 53.952 0.291 1
1 126 . 17 1 1 A 12 12 LEU CB C 12 45.047 41.236 3.811 1
1 130 . 17 1 1 A 12 12 LEU N N 12 127.423 128.329 -0.906 1
1 131 . 17 1 1 A 13 13 VAL HA H 13 4.847 5.048 -0.201 1
1 139 . 17 1 1 A 13 13 VAL CA C 13 60.665 60.284 0.381 1
1 140 . 17 1 1 A 13 13 VAL CB C 13 35.978 35.621 0.357 1
1 143 . 17 1 1 A 14 14 SER H H 14 8.220 8.792 -0.572 1
1 144 . 17 1 1 A 14 14 SER HA H 14 4.563 4.531 0.032 1
1 147 . 17 1 1 A 14 14 SER CA C 14 58.588 58.152 0.436 1
1 148 . 17 1 1 A 14 14 SER CB C 14 65.442 63.557 1.885 1
1 149 . 17 1 1 A 14 14 SER N N 14 118.092 121.460 -3.368 1
1 150 . 17 1 1 A 15 15 LEU H H 15 8.965 8.151 0.814 1
1 151 . 17 1 1 A 15 15 LEU HA H 15 4.725 4.331 0.394 1
1 161 . 17 1 1 A 15 15 LEU CA C 15 53.203 53.487 -0.284 1
1 162 . 17 1 1 A 15 15 LEU CB C 15 42.658 41.969 0.689 1
1 166 . 17 1 1 A 15 15 LEU N N 15 124.969 123.754 1.215 1
1 167 . 17 1 1 A 16 16 PRO HA H 16 4.326 4.469 -0.143 1
1 174 . 17 1 1 A 16 16 PRO C C 16 177.551 176.896 0.655 1
1 175 . 17 1 1 A 16 16 PRO CA C 16 64.262 63.254 1.008 1
1 176 . 17 1 1 A 16 16 PRO CB C 16 32.855 32.290 0.565 1
1 179 . 17 1 1 A 17 17 GLY H H 17 8.597 8.747 -0.150 1
1 180 . 17 1 1 A 17 17 GLY HA2 H 17 4.091 3.947 0.144 1
1 181 . 17 1 1 A 17 17 GLY HA3 H 17 3.773 3.954 -0.181 1
1 182 . 17 1 1 A 17 17 GLY C C 17 173.908 173.543 0.365 1
1 183 . 17 1 1 A 17 17 GLY CA C 17 46.155 46.439 -0.284 1
1 184 . 17 1 1 A 17 17 GLY N N 17 110.651 110.571 0.080 1
1 185 . 17 1 1 A 18 18 LEU H H 18 7.998 7.750 0.248 1
1 186 . 17 1 1 A 18 18 LEU HA H 18 4.318 4.715 -0.397 1
1 192 . 17 1 1 A 18 18 LEU CA C 18 56.800 53.730 3.070 1
1 193 . 17 1 1 A 18 18 LEU CB C 18 43.502 45.035 -1.533 1
1 195 . 17 1 1 A 18 18 LEU N N 18 122.006 123.174 -1.168 1
1 196 . 17 1 1 A 19 19 ASP HA H 19 4.330 4.705 -0.375 1
1 199 . 17 1 1 A 19 19 ASP CA C 19 56.800 53.567 3.233 1
1 200 . 17 1 1 A 19 19 ASP CB C 19 43.498 39.497 4.001 1
1 201 . 17 1 1 A 20 20 GLN HA H 20 4.248 4.197 0.051 1
1 208 . 17 1 1 A 20 20 GLN CA C 20 56.991 57.667 -0.676 1
1 209 . 17 1 1 A 20 20 GLN CB C 20 31.005 29.598 1.407 1
1 212 . 17 1 1 A 21 21 GLN H H 21 7.823 7.523 0.300 1
1 213 . 17 1 1 A 21 21 GLN HA H 21 4.478 4.710 -0.232 1
1 220 . 17 1 1 A 21 21 GLN C C 21 174.199 173.014 1.185 1
1 221 . 17 1 1 A 21 21 GLN CA C 21 56.424 54.886 1.538 1
1 222 . 17 1 1 A 21 21 GLN CB C 21 33.930 32.280 1.650 1
1 224 . 17 1 1 A 21 21 GLN N N 21 118.190 117.483 0.707 1
1 226 . 17 1 1 A 22 22 ASP H H 22 8.549 8.665 -0.116 1
1 227 . 17 1 1 A 22 22 ASP HA H 22 4.708 4.655 0.053 1
1 230 . 17 1 1 A 22 22 ASP C C 22 175.399 174.879 0.520 1
1 231 . 17 1 1 A 22 22 ASP CA C 22 54.415 52.983 1.432 1
1 232 . 17 1 1 A 22 22 ASP CB C 22 42.744 39.035 3.709 1
1 233 . 17 1 1 A 22 22 ASP N N 22 122.563 125.286 -2.723 1
1 234 . 17 1 1 A 23 23 ILE H H 23 8.681 7.718 0.963 1
1 235 . 17 1 1 A 23 23 ILE HA H 23 4.726 4.549 0.177 1
1 245 . 17 1 1 A 23 23 ILE C C 23 174.896 175.029 -0.133 1
1 246 . 17 1 1 A 23 23 ILE CA C 23 60.384 60.381 0.003 1
1 247 . 17 1 1 A 23 23 ILE CB C 23 42.843 38.669 4.174 1
1 251 . 17 1 1 A 23 23 ILE N N 23 121.642 118.690 2.952 1
1 252 . 17 1 1 A 24 24 ASN H H 24 8.224 8.821 -0.597 1
1 253 . 17 1 1 A 24 24 ASN HA H 24 5.252 6.129 -0.877 1
1 258 . 17 1 1 A 24 24 ASN C C 24 174.672 173.778 0.894 1
1 259 . 17 1 1 A 24 24 ASN CA C 24 54.262 52.561 1.701 1
1 260 . 17 1 1 A 24 24 ASN CB C 24 40.495 40.914 -0.419 1
1 261 . 17 1 1 A 24 24 ASN N N 24 124.418 123.550 0.868 1
1 263 . 17 1 1 A 25 25 ILE H H 25 9.453 9.177 0.276 1
1 264 . 17 1 1 A 25 25 ILE HA H 25 4.896 4.990 -0.094 1
1 274 . 17 1 1 A 25 25 ILE C C 25 173.645 174.497 -0.852 1
1 275 . 17 1 1 A 25 25 ILE CA C 25 61.580 60.052 1.528 1
1 276 . 17 1 1 A 25 25 ILE CB C 25 44.146 42.497 1.649 1
1 280 . 17 1 1 A 25 25 ILE N N 25 122.056 125.121 -3.065 1
1 281 . 17 1 1 A 26 26 HIS H H 26 9.716 8.774 0.942 1
1 282 . 17 1 1 A 26 26 HIS HA H 26 5.404 5.144 0.260 1
1 286 . 17 1 1 A 26 26 HIS C C 26 175.078 174.505 0.573 1
1 287 . 17 1 1 A 26 26 HIS CA C 26 55.881 54.284 1.597 1
1 288 . 17 1 1 A 26 26 HIS CB C 26 32.829 32.019 0.810 1
1 290 . 17 1 1 A 26 26 HIS N N 26 126.720 125.000 1.720 1
1 291 . 17 1 1 A 27 27 ILE H H 27 9.935 9.436 0.499 1
1 292 . 17 1 1 A 27 27 ILE HA H 27 5.096 5.051 0.045 1
1 302 . 17 1 1 A 27 27 ILE C C 27 174.860 174.370 0.490 1
1 303 . 17 1 1 A 27 27 ILE CA C 27 61.915 60.761 1.154 1
1 304 . 17 1 1 A 27 27 ILE CB C 27 40.667 40.182 0.485 1
1 308 . 17 1 1 A 27 27 ILE N N 27 123.352 123.699 -0.347 1
1 309 . 17 1 1 A 28 28 ARG H H 28 9.315 9.404 -0.089 1
1 310 . 17 1 1 A 28 28 ARG HA H 28 5.621 5.005 0.616 1
1 317 . 17 1 1 A 28 28 ARG C C 28 175.573 175.501 0.072 1
1 318 . 17 1 1 A 28 28 ARG CA C 28 54.904 55.111 -0.207 1
1 319 . 17 1 1 A 28 28 ARG CB C 28 33.782 31.648 2.134 1
1 322 . 17 1 1 A 28 28 ARG N N 28 127.731 129.701 -1.970 1
1 323 . 17 1 1 A 29 29 TYR H H 29 7.656 8.166 -0.510 1
1 324 . 17 1 1 A 29 29 TYR HA H 29 5.831 5.551 0.280 1
1 331 . 17 1 1 A 29 29 TYR C C 29 173.770 174.813 -1.043 1
1 332 . 17 1 1 A 29 29 TYR CA C 29 55.377 55.634 -0.257 1
1 333 . 17 1 1 A 29 29 TYR CB C 29 43.035 41.479 1.556 1
1 338 . 17 1 1 A 29 29 TYR N N 29 117.229 123.181 -5.952 1
1 339 . 17 1 1 A 30 30 GLU H H 30 8.323 8.377 -0.054 1
1 340 . 17 1 1 A 30 30 GLU HA H 30 4.381 4.784 -0.403 1
1 345 . 17 1 1 A 30 30 GLU C C 30 173.976 175.084 -1.108 1
1 346 . 17 1 1 A 30 30 GLU CA C 30 55.235 54.837 0.398 1
1 347 . 17 1 1 A 30 30 GLU CB C 30 34.494 31.815 2.679 1
1 349 . 17 1 1 A 30 30 GLU N N 30 117.003 123.975 -6.972 1
1 350 . 17 1 1 A 31 31 VAL H H 31 8.957 8.591 0.366 1
1 351 . 17 1 1 A 31 31 VAL HA H 31 4.262 4.194 0.068 1
1 359 . 17 1 1 A 31 31 VAL C C 31 175.045 175.072 -0.027 1
1 360 . 17 1 1 A 31 31 VAL CA C 31 63.418 61.976 1.442 1
1 361 . 17 1 1 A 31 31 VAL CB C 31 32.211 31.252 0.959 1
1 364 . 17 1 1 A 31 31 VAL N N 31 125.299 125.645 -0.346 1
1 365 . 17 1 1 A 32 32 ARG H H 32 8.550 8.551 -0.001 1
1 366 . 17 1 1 A 32 32 ARG HA H 32 4.408 4.939 -0.531 1
1 373 . 17 1 1 A 32 32 ARG C C 32 173.222 174.360 -1.138 1
1 374 . 17 1 1 A 32 32 ARG CA C 32 55.048 53.557 1.491 1
1 375 . 17 1 1 A 32 32 ARG CB C 32 34.646 33.829 0.817 1
1 378 . 17 1 1 A 32 32 ARG N N 32 128.345 128.694 -0.349 1
1 379 . 17 1 1 A 33 33 GLN H H 33 8.148 8.634 -0.486 1
1 380 . 17 1 1 A 33 33 GLN HA H 33 4.697 5.284 -0.587 1
1 387 . 17 1 1 A 33 33 GLN C C 33 175.419 175.715 -0.296 1
1 388 . 17 1 1 A 33 33 GLN CA C 33 55.943 54.713 1.230 1
1 389 . 17 1 1 A 33 33 GLN CB C 33 31.679 30.410 1.269 1
1 391 . 17 1 1 A 33 33 GLN N N 33 116.088 123.376 -7.288 1
1 393 . 17 1 1 A 34 34 ASN H H 34 8.323 8.845 -0.522 1
1 394 . 17 1 1 A 34 34 ASN HA H 34 4.825 5.168 -0.343 1
1 399 . 17 1 1 A 34 34 ASN CA C 34 53.468 51.690 1.778 1
1 400 . 17 1 1 A 34 34 ASN CB C 34 41.559 39.970 1.589 1
1 401 . 17 1 1 A 34 34 ASN N N 34 121.088 124.006 -2.918 1
1 403 . 17 1 1 A 35 35 ALA HA H 35 4.099 4.052 0.047 1
1 407 . 17 1 1 A 35 35 ALA C C 35 178.472 179.249 -0.777 1
1 408 . 17 1 1 A 35 35 ALA CA C 35 55.591 54.319 1.272 1
1 409 . 17 1 1 A 35 35 ALA CB C 35 19.600 18.513 1.087 1
1 410 . 17 1 1 A 36 36 GLU H H 36 8.362 8.024 0.338 1
1 411 . 17 1 1 A 36 36 GLU HA H 36 4.263 4.101 0.162 1
1 416 . 17 1 1 A 36 36 GLU C C 36 177.727 177.871 -0.144 1
1 417 . 17 1 1 A 36 36 GLU CA C 36 59.010 58.887 0.123 1
1 418 . 17 1 1 A 36 36 GLU CB C 36 31.059 30.034 1.025 1
1 420 . 17 1 1 A 36 36 GLU N N 36 116.669 119.554 -2.885 1
1 421 . 17 1 1 A 37 37 SER H H 37 8.338 8.120 0.218 1
1 422 . 17 1 1 A 37 37 SER HA H 37 4.515 4.679 -0.164 1
1 425 . 17 1 1 A 37 37 SER C C 37 175.134 174.567 0.567 1
1 426 . 17 1 1 A 37 37 SER CA C 37 59.568 58.186 1.382 1
1 427 . 17 1 1 A 37 37 SER CB C 37 65.114 64.203 0.911 1
1 428 . 17 1 1 A 37 37 SER N N 37 111.971 112.850 -0.879 1
1 429 . 17 1 1 A 38 38 GLY H H 38 8.098 7.737 0.361 1
1 430 . 17 1 1 A 38 38 GLY HA2 H 38 4.294 3.993 0.301 1
1 431 . 17 1 1 A 38 38 GLY HA3 H 38 3.975 3.993 -0.018 1
1 432 . 17 1 1 A 38 38 GLY C C 38 173.759 173.920 -0.161 1
1 433 . 17 1 1 A 38 38 GLY CA C 38 45.904 46.383 -0.479 1
1 434 . 17 1 1 A 38 38 GLY N N 38 111.508 110.009 1.499 1
1 435 . 17 1 1 A 39 39 ALA H H 39 8.450 8.111 0.339 1
1 436 . 17 1 1 A 39 39 ALA HA H 39 4.902 4.651 0.251 1
1 440 . 17 1 1 A 39 39 ALA C C 39 177.193 177.252 -0.059 1
1 441 . 17 1 1 A 39 39 ALA CA C 39 52.880 51.947 0.933 1
1 442 . 17 1 1 A 39 39 ALA CB C 39 20.714 19.913 0.801 1
1 443 . 17 1 1 A 39 39 ALA N N 39 124.210 126.521 -2.311 1
1 444 . 17 1 1 A 40 40 TYR H H 40 8.854 8.537 0.317 1
1 445 . 17 1 1 A 40 40 TYR HA H 40 4.796 5.295 -0.499 1
1 452 . 17 1 1 A 40 40 TYR C C 40 171.595 172.445 -0.850 1
1 453 . 17 1 1 A 40 40 TYR CA C 40 56.552 55.904 0.648 1
1 454 . 17 1 1 A 40 40 TYR CB C 40 41.319 40.732 0.587 1
1 459 . 17 1 1 A 40 40 TYR N N 40 118.580 117.028 1.552 1
1 460 . 17 1 1 A 41 41 VAL H H 41 9.275 8.370 0.905 1
1 461 . 17 1 1 A 41 41 VAL HA H 41 4.430 4.518 -0.088 1
1 469 . 17 1 1 A 41 41 VAL C C 41 174.098 174.029 0.069 1
1 470 . 17 1 1 A 41 41 VAL CA C 41 61.566 60.621 0.945 1
1 471 . 17 1 1 A 41 41 VAL CB C 41 33.852 34.494 -0.642 1
1 474 . 17 1 1 A 41 41 VAL N N 41 118.445 119.036 -0.591 1
1 475 . 17 1 1 A 42 42 HIS H H 42 8.789 8.711 0.078 1
1 476 . 17 1 1 A 42 42 HIS HA H 42 4.814 4.831 -0.017 1
1 480 . 17 1 1 A 42 42 HIS C C 42 172.353 173.201 -0.848 1
1 481 . 17 1 1 A 42 42 HIS CA C 42 56.537 55.719 0.818 1
1 482 . 17 1 1 A 42 42 HIS CB C 42 31.587 30.888 0.699 1
1 484 . 17 1 1 A 42 42 HIS N N 42 125.741 126.651 -0.910 1
1 485 . 17 1 1 A 43 43 PHE H H 43 8.604 8.842 -0.238 1
1 486 . 17 1 1 A 43 43 PHE HA H 43 4.933 5.585 -0.652 1
1 494 . 17 1 1 A 43 43 PHE C C 43 174.119 174.099 0.020 1
1 495 . 17 1 1 A 43 43 PHE CA C 43 56.591 56.276 0.315 1
1 496 . 17 1 1 A 43 43 PHE CB C 43 41.053 41.423 -0.370 1
1 502 . 17 1 1 A 43 43 PHE N N 43 125.631 125.993 -0.362 1
1 503 . 17 1 1 A 44 44 ASP H H 44 9.322 8.764 0.558 1
1 504 . 17 1 1 A 44 44 ASP HA H 44 5.187 5.416 -0.229 1
1 507 . 17 1 1 A 44 44 ASP C C 44 175.076 174.249 0.827 1
1 508 . 17 1 1 A 44 44 ASP CA C 44 55.145 52.451 2.694 1
1 509 . 17 1 1 A 44 44 ASP CB C 44 45.197 44.895 0.302 1
1 510 . 17 1 1 A 44 44 ASP N N 44 121.184 118.792 2.392 1
1 511 . 17 1 1 A 45 45 MET H H 45 9.110 9.253 -0.143 1
1 512 . 17 1 1 A 45 45 MET HA H 45 5.765 6.288 -0.523 1
1 520 . 17 1 1 A 45 45 MET C C 45 173.254 174.567 -1.313 1
1 521 . 17 1 1 A 45 45 MET CA C 45 54.810 54.542 0.268 1
1 522 . 17 1 1 A 45 45 MET CB C 45 38.632 36.820 1.812 1
1 525 . 17 1 1 A 45 45 MET N N 45 121.976 120.586 1.390 1
1 526 . 17 1 1 A 46 46 ASP H H 46 8.763 8.615 0.148 1
1 527 . 17 1 1 A 46 46 ASP HA H 46 4.373 4.595 -0.222 1
1 530 . 17 1 1 A 46 46 ASP C C 46 173.396 173.971 -0.575 1
1 531 . 17 1 1 A 46 46 ASP CA C 46 53.810 52.387 1.423 1
1 532 . 17 1 1 A 46 46 ASP CB C 46 44.722 43.529 1.193 1
1 533 . 17 1 1 A 46 46 ASP N N 46 121.797 121.917 -0.120 1
1 534 . 17 1 1 A 47 47 GLY H H 47 7.154 7.417 -0.263 1
1 535 . 17 1 1 A 47 47 GLY HA2 H 47 5.075 3.853 1.222 1
1 536 . 17 1 1 A 47 47 GLY HA3 H 47 3.927 3.942 -0.015 1
1 537 . 17 1 1 A 47 47 GLY C C 47 172.328 171.820 0.508 1
1 538 . 17 1 1 A 47 47 GLY CA C 47 45.820 44.901 0.919 1
1 539 . 17 1 1 A 47 47 GLY N N 47 105.470 105.128 0.342 1
1 540 . 17 1 1 A 48 48 GLU H H 48 9.100 8.706 0.394 1
1 541 . 17 1 1 A 48 48 GLU HA H 48 5.257 5.491 -0.234 1
1 546 . 17 1 1 A 48 48 GLU C C 48 175.019 174.418 0.601 1
1 547 . 17 1 1 A 48 48 GLU CA C 48 56.247 55.209 1.038 1
1 548 . 17 1 1 A 48 48 GLU CB C 48 35.076 33.892 1.184 1
1 550 . 17 1 1 A 48 48 GLU N N 48 119.799 119.265 0.534 1
1 551 . 17 1 1 A 49 49 ILE H H 49 7.945 8.668 -0.723 1
1 552 . 17 1 1 A 49 49 ILE HA H 49 4.540 4.597 -0.057 1
1 562 . 17 1 1 A 49 49 ILE C C 49 176.382 175.891 0.491 1
1 563 . 17 1 1 A 49 49 ILE CA C 49 61.321 60.387 0.934 1
1 564 . 17 1 1 A 49 49 ILE CB C 49 41.847 40.319 1.528 1
1 568 . 17 1 1 A 49 49 ILE N N 49 120.718 120.458 0.260 1
1 569 . 17 1 1 A 50 50 ASP H H 50 10.048 9.400 0.648 1
1 570 . 17 1 1 A 50 50 ASP HA H 50 4.522 4.272 0.250 1
1 573 . 17 1 1 A 50 50 ASP C C 50 176.193 175.201 0.992 1
1 574 . 17 1 1 A 50 50 ASP CA C 50 56.872 55.115 1.757 1
1 575 . 17 1 1 A 50 50 ASP CB C 50 40.754 39.820 0.934 1
1 576 . 17 1 1 A 50 50 ASP N N 50 130.256 127.812 2.444 1
1 577 . 17 1 1 A 51 51 GLY H H 51 9.048 8.168 0.880 1
1 578 . 17 1 1 A 51 51 GLY HA2 H 51 4.126 3.844 0.282 1
1 579 . 17 1 1 A 51 51 GLY HA3 H 51 3.660 3.848 -0.188 1
1 580 . 17 1 1 A 51 51 GLY C C 51 173.935 174.015 -0.080 1
1 581 . 17 1 1 A 51 51 GLY CA C 51 46.194 45.204 0.990 1
1 582 . 17 1 1 A 51 51 GLY N N 51 103.446 104.547 -1.101 1
1 583 . 17 1 1 A 52 52 LYS H H 52 7.905 7.398 0.507 1
1 584 . 17 1 1 A 52 52 LYS HA H 52 5.014 4.375 0.639 1
1 593 . 17 1 1 A 52 52 LYS CA C 52 53.809 53.308 0.501 1
1 594 . 17 1 1 A 52 52 LYS CB C 52 33.788 32.532 1.256 1
1 598 . 17 1 1 A 52 52 LYS N N 52 122.692 121.365 1.327 1
1 599 . 17 1 1 A 53 53 PRO HA H 53 5.523 5.221 0.302 1
1 606 . 17 1 1 A 53 53 PRO C C 53 176.300 176.737 -0.437 1
1 607 . 17 1 1 A 53 53 PRO CA C 53 62.896 62.433 0.463 1
1 608 . 17 1 1 A 53 53 PRO CB C 53 33.920 32.700 1.220 1
1 611 . 17 1 1 A 54 54 PHE H H 54 8.643 8.607 0.036 1
1 612 . 17 1 1 A 54 54 PHE HA H 54 4.907 5.253 -0.346 1
1 620 . 17 1 1 A 54 54 PHE C C 54 172.840 173.010 -0.170 1
1 621 . 17 1 1 A 54 54 PHE CA C 54 57.173 56.163 1.010 1
1 622 . 17 1 1 A 54 54 PHE CB C 54 43.620 42.265 1.355 1
1 628 . 17 1 1 A 54 54 PHE N N 54 117.436 118.208 -0.772 1
1 629 . 17 1 1 A 55 55 SER H H 55 8.009 8.867 -0.858 1
1 630 . 17 1 1 A 55 55 SER HA H 55 4.822 5.416 -0.594 1
1 633 . 17 1 1 A 55 55 SER C C 55 172.856 172.484 0.372 1
1 634 . 17 1 1 A 55 55 SER CA C 55 58.238 57.279 0.959 1
1 635 . 17 1 1 A 55 55 SER CB C 55 66.163 65.861 0.302 1
1 636 . 17 1 1 A 55 55 SER N N 55 113.907 113.946 -0.039 1
1 637 . 17 1 1 A 56 56 ASP H H 56 9.593 9.046 0.547 1
1 638 . 17 1 1 A 56 56 ASP HA H 56 4.985 5.419 -0.434 1
1 641 . 17 1 1 A 56 56 ASP C C 56 175.049 174.394 0.655 1
1 642 . 17 1 1 A 56 56 ASP CA C 56 54.043 53.197 0.846 1
1 643 . 17 1 1 A 56 56 ASP CB C 56 46.425 45.345 1.080 1
1 644 . 17 1 1 A 56 56 ASP N N 56 125.145 122.934 2.211 1
1 645 . 17 1 1 A 57 57 SER H H 57 10.207 8.615 1.592 1
1 646 . 17 1 1 A 57 57 SER HA H 57 5.383 5.487 -0.104 1
1 649 . 17 1 1 A 57 57 SER C C 57 172.452 173.332 -0.880 1
1 650 . 17 1 1 A 57 57 SER CA C 57 59.008 57.153 1.855 1
1 651 . 17 1 1 A 57 57 SER CB C 57 67.802 66.184 1.618 1
1 652 . 17 1 1 A 57 57 SER N N 57 115.172 115.191 -0.019 1
1 653 . 17 1 1 A 58 58 PHE H H 58 8.623 8.859 -0.236 1
1 654 . 17 1 1 A 58 58 PHE HA H 58 4.904 5.573 -0.669 1
1 662 . 17 1 1 A 58 58 PHE C C 58 172.447 172.997 -0.550 1
1 663 . 17 1 1 A 58 58 PHE CA C 58 57.781 55.590 2.191 1
1 664 . 17 1 1 A 58 58 PHE CB C 58 40.736 42.835 -2.099 1
1 670 . 17 1 1 A 58 58 PHE N N 58 115.065 117.994 -2.929 1
1 671 . 17 1 1 A 59 59 GLU H H 59 8.721 8.926 -0.205 1
1 672 . 17 1 1 A 59 59 GLU HA H 59 5.595 5.211 0.384 1
1 677 . 17 1 1 A 59 59 GLU C C 59 175.836 175.457 0.379 1
1 678 . 17 1 1 A 59 59 GLU CA C 59 55.290 55.245 0.045 1
1 679 . 17 1 1 A 59 59 GLU CB C 59 34.345 32.596 1.749 1
1 681 . 17 1 1 A 59 59 GLU N N 59 118.122 119.254 -1.132 1
1 682 . 17 1 1 A 60 60 LEU H H 60 9.016 8.953 0.063 1
1 683 . 17 1 1 A 60 60 LEU HA H 60 5.221 4.974 0.247 1
1 693 . 17 1 1 A 60 60 LEU CA C 60 52.275 51.133 1.142 1
1 694 . 17 1 1 A 60 60 LEU CB C 60 46.774 45.751 1.023 1
1 698 . 17 1 1 A 60 60 LEU N N 60 121.299 125.355 -4.056 1
1 699 . 17 1 1 A 61 61 PRO HA H 61 4.614 4.685 -0.071 1
1 706 . 17 1 1 A 61 61 PRO C C 61 176.316 177.908 -1.592 1
1 707 . 17 1 1 A 61 61 PRO CA C 61 62.719 62.643 0.076 1
1 708 . 17 1 1 A 61 61 PRO CB C 61 33.758 32.747 1.011 1
1 711 . 17 1 1 A 62 62 ARG H H 62 8.017 8.507 -0.490 1
1 712 . 17 1 1 A 62 62 ARG HA H 62 3.738 3.896 -0.158 1
1 719 . 17 1 1 A 62 62 ARG C C 62 176.976 178.258 -1.282 1
1 720 . 17 1 1 A 62 62 ARG CA C 62 60.653 59.513 1.140 1
1 721 . 17 1 1 A 62 62 ARG CB C 62 31.549 29.531 2.018 1
1 724 . 17 1 1 A 62 62 ARG N N 62 118.159 122.597 -4.438 1
1 725 . 17 1 1 A 63 63 ASP H H 63 8.665 7.995 0.670 1
1 726 . 17 1 1 A 63 63 ASP HA H 63 4.484 4.539 -0.055 1
1 729 . 17 1 1 A 63 63 ASP C C 63 177.483 177.117 0.366 1
1 730 . 17 1 1 A 63 63 ASP CA C 63 57.335 56.642 0.693 1
1 731 . 17 1 1 A 63 63 ASP CB C 63 41.410 41.145 0.265 1
1 732 . 17 1 1 A 63 63 ASP N N 63 113.726 120.357 -6.631 1
1 733 . 17 1 1 A 64 64 THR H H 64 7.553 7.707 -0.154 1
1 734 . 17 1 1 A 64 64 THR HA H 64 4.562 4.798 -0.236 1
1 739 . 17 1 1 A 64 64 THR C C 64 175.654 175.393 0.261 1
1 740 . 17 1 1 A 64 64 THR CA C 64 61.499 60.980 0.519 1
1 741 . 17 1 1 A 64 64 THR CB C 64 69.606 69.267 0.339 1
1 743 . 17 1 1 A 64 64 THR N N 64 107.855 107.368 0.487 1
1 744 . 17 1 1 A 65 65 ALA H H 65 7.406 7.633 -0.227 1
1 745 . 17 1 1 A 65 65 ALA HA H 65 4.012 4.198 -0.186 1
1 749 . 17 1 1 A 65 65 ALA C C 65 176.820 179.566 -2.746 1
1 750 . 17 1 1 A 65 65 ALA CA C 65 55.939 55.007 0.932 1
1 751 . 17 1 1 A 65 65 ALA CB C 65 19.454 18.014 1.440 1
1 752 . 17 1 1 A 65 65 ALA N N 65 123.777 125.787 -2.010 1
1 753 . 17 1 1 A 66 66 PHE H H 66 7.583 7.705 -0.122 1
1 754 . 17 1 1 A 66 66 PHE HA H 66 4.381 4.621 -0.240 1
1 762 . 17 1 1 A 66 66 PHE C C 66 176.104 177.424 -1.320 1
1 763 . 17 1 1 A 66 66 PHE CA C 66 58.836 61.173 -2.337 1
1 764 . 17 1 1 A 66 66 PHE CB C 66 37.740 37.996 -0.256 1
1 770 . 17 1 1 A 66 66 PHE N N 66 110.346 115.495 -5.149 1
1 771 . 17 1 1 A 67 67 ASN H H 67 7.984 8.468 -0.484 1
1 772 . 17 1 1 A 67 67 ASN HA H 67 4.848 4.955 -0.107 1
1 777 . 17 1 1 A 67 67 ASN C C 67 175.700 176.695 -0.995 1
1 778 . 17 1 1 A 67 67 ASN CA C 67 53.469 53.804 -0.335 1
1 779 . 17 1 1 A 67 67 ASN CB C 67 38.836 39.115 -0.279 1
1 780 . 17 1 1 A 67 67 ASN N N 67 120.591 118.815 1.776 1
1 782 . 17 1 1 A 68 68 PHE H H 68 7.218 8.059 -0.841 1
1 783 . 17 1 1 A 68 68 PHE HA H 68 4.054 4.384 -0.330 1
1 790 . 17 1 1 A 68 68 PHE C C 68 174.796 176.951 -2.155 1
1 791 . 17 1 1 A 68 68 PHE CA C 68 60.849 60.244 0.605 1
1 792 . 17 1 1 A 68 68 PHE CB C 68 40.263 37.557 2.706 1
1 797 . 17 1 1 A 68 68 PHE N N 68 115.915 118.547 -2.632 1
1 798 . 17 1 1 A 69 69 ALA H H 69 7.780 7.905 -0.125 1
1 799 . 17 1 1 A 69 69 ALA HA H 69 3.484 3.622 -0.138 1
1 803 . 17 1 1 A 69 69 ALA C C 69 180.022 179.611 0.411 1
1 804 . 17 1 1 A 69 69 ALA CA C 69 56.283 54.555 1.728 1
1 805 . 17 1 1 A 69 69 ALA CB C 69 18.935 17.965 0.970 1
1 806 . 17 1 1 A 69 69 ALA N N 69 124.604 123.547 1.057 1
1 807 . 17 1 1 A 70 70 SER H H 70 7.852 7.443 0.409 1
1 808 . 17 1 1 A 70 70 SER HA H 70 4.061 4.026 0.035 1
1 811 . 17 1 1 A 70 70 SER C C 70 177.054 176.180 0.874 1
1 812 . 17 1 1 A 70 70 SER CA C 70 62.085 61.477 0.608 1
1 813 . 17 1 1 A 70 70 SER CB C 70 62.976 62.976 0.000 1
1 814 . 17 1 1 A 70 70 SER N N 70 114.973 114.201 0.772 1
1 815 . 17 1 1 A 71 71 ASP H H 71 7.602 7.937 -0.335 1
1 816 . 17 1 1 A 71 71 ASP HA H 71 4.012 4.135 -0.123 1
1 819 . 17 1 1 A 71 71 ASP C C 71 177.086 178.107 -1.021 1
1 820 . 17 1 1 A 71 71 ASP CA C 71 58.501 56.655 1.846 1
1 821 . 17 1 1 A 71 71 ASP CB C 71 42.006 39.785 2.221 1
1 822 . 17 1 1 A 71 71 ASP N N 71 123.211 122.187 1.024 1
1 823 . 17 1 1 A 72 72 ALA H H 72 8.406 8.025 0.381 1
1 824 . 17 1 1 A 72 72 ALA HA H 72 3.671 4.316 -0.645 1
1 828 . 17 1 1 A 72 72 ALA C C 72 179.377 180.106 -0.729 1
1 829 . 17 1 1 A 72 72 ALA CA C 72 55.717 55.047 0.670 1
1 830 . 17 1 1 A 72 72 ALA CB C 72 18.658 18.741 -0.083 1
1 831 . 17 1 1 A 72 72 ALA N N 72 119.793 122.417 -2.624 1
1 832 . 17 1 1 A 73 73 THR H H 73 7.631 7.874 -0.243 1
1 833 . 17 1 1 A 73 73 THR HA H 73 3.562 3.920 -0.358 1
1 838 . 17 1 1 A 73 73 THR C C 73 175.072 176.156 -1.084 1
1 839 . 17 1 1 A 73 73 THR CA C 73 68.525 66.104 2.421 1
1 840 . 17 1 1 A 73 73 THR CB C 73 69.564 68.404 1.160 1
1 842 . 17 1 1 A 73 73 THR N N 73 114.702 113.849 0.853 1
1 843 . 17 1 1 A 74 74 ARG H H 74 7.629 7.663 -0.034 1
1 844 . 17 1 1 A 74 74 ARG HA H 74 3.795 4.013 -0.218 1
1 851 . 17 1 1 A 74 74 ARG C C 74 176.832 178.649 -1.817 1
1 852 . 17 1 1 A 74 74 ARG CA C 74 60.580 58.517 2.063 1
1 853 . 17 1 1 A 74 74 ARG CB C 74 30.409 29.623 0.786 1
1 856 . 17 1 1 A 74 74 ARG N N 74 122.528 121.577 0.951 1
1 857 . 17 1 1 A 75 75 VAL H H 75 8.008 7.473 0.535 1
1 858 . 17 1 1 A 75 75 VAL HA H 75 3.439 3.587 -0.148 1
1 866 . 17 1 1 A 75 75 VAL C C 75 177.802 177.677 0.125 1
1 867 . 17 1 1 A 75 75 VAL CA C 75 67.492 66.076 1.416 1
1 868 . 17 1 1 A 75 75 VAL CB C 75 32.220 31.291 0.929 1
1 871 . 17 1 1 A 75 75 VAL N N 75 120.044 120.032 0.012 1
1 872 . 17 1 1 A 76 76 ALA H H 76 8.092 7.553 0.539 1
1 873 . 17 1 1 A 76 76 ALA HA H 76 3.537 3.808 -0.271 1
1 877 . 17 1 1 A 76 76 ALA C C 76 180.078 180.070 0.008 1
1 878 . 17 1 1 A 76 76 ALA CA C 76 56.194 55.242 0.952 1
1 879 . 17 1 1 A 76 76 ALA CB C 76 18.882 18.647 0.235 1
1 880 . 17 1 1 A 76 76 ALA N N 76 120.726 122.258 -1.532 1
1 881 . 17 1 1 A 77 77 GLN H H 77 8.432 8.408 0.024 1
1 882 . 17 1 1 A 77 77 GLN HA H 77 4.428 4.013 0.415 1
1 885 . 17 1 1 A 77 77 GLN CA C 77 58.987 58.269 0.718 1
1 887 . 17 1 1 A 77 77 GLN N N 77 118.235 116.870 1.365 1
1 888 . 17 1 1 A 78 78 LYS H H 78 7.655 7.433 0.222 1
1 889 . 17 1 1 A 78 78 LYS HA H 78 3.874 3.869 0.005 1
1 898 . 17 1 1 A 78 78 LYS C C 78 177.044 178.027 -0.983 1
1 899 . 17 1 1 A 78 78 LYS CA C 78 59.393 58.976 0.417 1
1 900 . 17 1 1 A 78 78 LYS CB C 78 32.583 31.858 0.725 1
1 904 . 17 1 1 A 78 78 LYS N N 78 121.797 120.677 1.120 1
1 905 . 17 1 1 A 79 79 HIS H H 79 6.888 7.103 -0.215 1
1 906 . 17 1 1 A 79 79 HIS HA H 79 4.501 4.653 -0.152 1
1 909 . 17 1 1 A 79 79 HIS C C 79 174.191 175.162 -0.971 1
1 910 . 17 1 1 A 79 79 HIS CA C 79 56.166 56.233 -0.067 1
1 911 . 17 1 1 A 79 79 HIS CB C 79 30.993 31.567 -0.574 1
1 912 . 17 1 1 A 79 79 HIS N N 79 115.368 114.127 1.241 1
1 913 . 17 1 1 A 80 80 GLY H H 80 7.159 7.397 -0.238 1
1 914 . 17 1 1 A 80 80 GLY HA2 H 80 4.433 3.984 0.449 1
1 915 . 17 1 1 A 80 80 GLY HA3 H 80 3.541 4.011 -0.470 1
1 916 . 17 1 1 A 80 80 GLY C C 80 175.246 173.414 1.832 1
1 917 . 17 1 1 A 80 80 GLY CA C 80 45.823 45.133 0.690 1
1 918 . 17 1 1 A 80 80 GLY N N 80 104.319 105.564 -1.245 1
1 919 . 17 1 1 A 81 81 LEU H H 81 7.962 8.270 -0.308 1
1 920 . 17 1 1 A 81 81 LEU HA H 81 4.012 4.407 -0.395 1
1 930 . 17 1 1 A 81 81 LEU CA C 81 56.383 53.560 2.823 1
1 931 . 17 1 1 A 81 81 LEU CB C 81 43.506 40.599 2.907 1
1 935 . 17 1 1 A 81 81 LEU N N 81 124.945 125.239 -0.294 1
1 936 . 17 1 1 A 83 83 PRO HA H 83 4.248 4.396 -0.148 1
1 943 . 17 1 1 A 83 83 PRO CA C 83 65.606 64.484 1.122 1
1 944 . 17 1 1 A 83 83 PRO CB C 83 32.805 31.753 1.052 1
1 947 . 17 1 1 A 84 84 LYS HA H 84 4.132 4.027 0.105 1
1 956 . 17 1 1 A 84 84 LYS CA C 84 59.351 59.394 -0.043 1
1 957 . 17 1 1 A 84 84 LYS CB C 84 33.109 32.234 0.875 1
1 961 . 17 1 1 A 85 85 PHE HA H 85 3.941 4.055 -0.114 1
1 964 . 17 1 1 A 85 85 PHE CA C 85 59.693 60.872 -1.179 1
1 965 . 17 1 1 A 85 85 PHE CB C 85 39.968 39.176 0.792 1
1 966 . 17 1 1 A 86 86 GLY HA2 H 86 3.721 3.804 -0.083 1
1 967 . 17 1 1 A 86 86 GLY HA3 H 86 3.659 3.871 -0.212 1
1 968 . 17 1 1 A 86 86 GLY CA C 86 44.471 47.244 -2.773 1
1 969 . 17 1 1 A 87 87 ALA HA H 87 4.274 4.610 -0.336 1
1 973 . 17 1 1 A 87 87 ALA CA C 87 53.390 50.987 2.403 1
1 974 . 17 1 1 A 87 87 ALA CB C 87 20.262 19.811 0.451 1
1 975 . 17 1 1 A 88 88 ILE HA H 88 4.015 4.271 -0.256 1
1 985 . 17 1 1 A 88 88 ILE CA C 88 63.697 60.991 2.706 1
1 986 . 17 1 1 A 88 88 ILE CB C 88 38.931 35.893 3.038 1
1 990 . 17 1 1 A 89 89 THR HA H 89 4.224 4.668 -0.444 1
1 994 . 17 1 1 A 89 89 THR CA C 89 63.088 61.476 1.612 1
1 996 . 17 1 1 A 90 90 ARG HA H 90 4.105 3.851 0.254 1
1 1003 . 17 1 1 A 90 90 ARG CA C 90 58.412 58.750 -0.338 1
1 1004 . 17 1 1 A 90 90 ARG CB C 90 30.907 28.594 2.313 1
1 1007 . 17 1 1 A 91 91 VAL HA H 91 4.047 4.041 0.006 1
1 1015 . 17 1 1 A 91 91 VAL C C 91 175.627 176.712 -1.085 1
1 1016 . 17 1 1 A 91 91 VAL CA C 91 62.923 62.711 0.212 1
1 1017 . 17 1 1 A 91 91 VAL CB C 91 32.060 32.668 -0.608 1
1 1020 . 17 1 1 A 92 92 HIS HA H 92 4.567 4.187 0.380 1
1 1023 . 17 1 1 A 92 92 HIS CA C 92 57.021 57.158 -0.137 1
1 1024 . 17 1 1 A 92 92 HIS CB C 92 31.579 27.028 4.551 1
1 1025 . 17 1 1 A 93 93 LYS H H 93 8.490 8.102 0.388 1
1 1026 . 17 1 1 A 93 93 LYS HA H 93 4.149 4.497 -0.348 1
1 1035 . 17 1 1 A 93 93 LYS CA C 93 58.472 54.834 3.638 1
1 1036 . 17 1 1 A 93 93 LYS CB C 93 32.632 30.532 2.100 1
1 1040 . 17 1 1 A 93 93 LYS N N 93 123.001 120.180 2.821 1
1 1041 . 17 1 1 A 94 94 GLU HA H 94 4.265 4.551 -0.286 1
1 1046 . 17 1 1 A 94 94 GLU CA C 94 57.682 56.315 1.367 1
1 1047 . 17 1 1 A 94 94 GLU CB C 94 30.952 30.059 0.893 1
1 1049 . 17 1 1 A 95 95 TYR HA H 95 4.205 4.318 -0.113 1
1 1056 . 17 1 1 A 95 95 TYR C C 95 176.555 177.571 -1.016 1
1 1057 . 17 1 1 A 95 95 TYR CA C 95 60.582 61.226 -0.644 1
1 1058 . 17 1 1 A 95 95 TYR CB C 95 39.000 38.619 0.381 1
1 1063 . 17 1 1 A 96 96 ASP H H 96 8.104 8.327 -0.223 1
1 1064 . 17 1 1 A 96 96 ASP HA H 96 4.252 4.112 0.140 1
1 1067 . 17 1 1 A 96 96 ASP CA C 96 58.583 57.227 1.356 1
1 1068 . 17 1 1 A 96 96 ASP CB C 96 41.058 40.056 1.002 1
1 1069 . 17 1 1 A 96 96 ASP N N 96 120.068 119.663 0.405 1
1 1070 . 17 1 1 A 97 97 ALA HA H 97 3.964 4.088 -0.124 1
1 1074 . 17 1 1 A 97 97 ALA C C 97 179.912 179.179 0.733 1
1 1075 . 17 1 1 A 97 97 ALA CA C 97 55.582 55.219 0.363 1
1 1076 . 17 1 1 A 97 97 ALA CB C 97 18.849 18.308 0.541 1
1 1077 . 17 1 1 A 98 98 MET H H 98 7.422 8.051 -0.629 1
1 1078 . 17 1 1 A 98 98 MET HA H 98 3.847 4.103 -0.256 1
1 1083 . 17 1 1 A 98 98 MET C C 98 177.185 178.182 -0.997 1
1 1084 . 17 1 1 A 98 98 MET CA C 98 59.943 58.165 1.778 1
1 1085 . 17 1 1 A 98 98 MET CB C 98 32.583 32.013 0.570 1
1 1087 . 17 1 1 A 98 98 MET N N 98 120.651 118.648 2.003 1
1 1088 . 17 1 1 A 99 99 PHE H H 99 8.652 8.570 0.082 1
1 1089 . 17 1 1 A 99 99 PHE HA H 99 4.150 4.201 -0.051 1
1 1097 . 17 1 1 A 99 99 PHE C C 99 177.911 177.738 0.173 1
1 1098 . 17 1 1 A 99 99 PHE CA C 99 61.936 61.843 0.093 1
1 1099 . 17 1 1 A 99 99 PHE CB C 99 39.302 39.029 0.273 1
1 1105 . 17 1 1 A 99 99 PHE N N 99 119.857 120.662 -0.805 1
1 1106 . 17 1 1 A 100 100 GLU H H 100 8.232 8.319 -0.087 1
1 1107 . 17 1 1 A 100 100 GLU HA H 100 4.094 4.222 -0.128 1
1 1112 . 17 1 1 A 100 100 GLU CA C 100 59.579 59.261 0.318 1
1 1113 . 17 1 1 A 100 100 GLU CB C 100 29.878 28.843 1.035 1
1 1115 . 17 1 1 A 100 100 GLU N N 100 117.666 118.121 -0.455 1
1 1116 . 17 1 1 A 101 101 ASP HA H 101 4.568 4.359 0.209 1
1 1119 . 17 1 1 A 101 101 ASP C C 101 177.667 178.551 -0.884 1
1 1120 . 17 1 1 A 101 101 ASP CA C 101 58.940 57.671 1.269 1
1 1121 . 17 1 1 A 101 101 ASP CB C 101 43.462 41.337 2.125 1
1 1122 . 17 1 1 A 102 102 ILE H H 102 8.370 8.154 0.216 1
1 1123 . 17 1 1 A 102 102 ILE HA H 102 3.319 3.513 -0.194 1
1 1133 . 17 1 1 A 102 102 ILE C C 102 177.347 178.276 -0.929 1
1 1134 . 17 1 1 A 102 102 ILE CA C 102 67.567 65.410 2.157 1
1 1135 . 17 1 1 A 102 102 ILE CB C 102 38.766 37.475 1.291 1
1 1139 . 17 1 1 A 102 102 ILE N N 102 118.449 119.264 -0.815 1
1 1140 . 17 1 1 A 103 103 ARG H H 103 8.450 8.279 0.171 1
1 1141 . 17 1 1 A 103 103 ARG HA H 103 3.834 4.269 -0.435 1
1 1148 . 17 1 1 A 103 103 ARG C C 103 178.760 178.499 0.261 1
1 1149 . 17 1 1 A 103 103 ARG CA C 103 61.318 58.813 2.505 1
1 1150 . 17 1 1 A 103 103 ARG CB C 103 30.978 30.064 0.914 1
1 1153 . 17 1 1 A 103 103 ARG N N 103 118.941 120.645 -1.704 1
1 1154 . 17 1 1 A 104 104 ALA H H 104 8.289 7.967 0.322 1
1 1155 . 17 1 1 A 104 104 ALA HA H 104 4.072 4.081 -0.009 1
1 1159 . 17 1 1 A 104 104 ALA C C 104 181.340 179.772 1.568 1
1 1160 . 17 1 1 A 104 104 ALA CA C 104 56.021 55.477 0.544 1
1 1161 . 17 1 1 A 104 104 ALA CB C 104 18.962 18.525 0.437 1
1 1162 . 17 1 1 A 104 104 ALA N N 104 121.028 122.303 -1.275 1
1 1163 . 17 1 1 A 105 105 LYS H H 105 8.231 7.614 0.617 1
1 1164 . 17 1 1 A 105 105 LYS HA H 105 4.013 4.069 -0.056 1
1 1173 . 17 1 1 A 105 105 LYS C C 105 179.414 179.338 0.076 1
1 1174 . 17 1 1 A 105 105 LYS CA C 105 60.025 58.843 1.182 1
1 1175 . 17 1 1 A 105 105 LYS CB C 105 34.341 32.018 2.323 1
1 1179 . 17 1 1 A 105 105 LYS N N 105 118.789 117.676 1.113 1
1 1180 . 17 1 1 A 106 106 LEU H H 106 8.289 7.965 0.324 1
1 1181 . 17 1 1 A 106 106 LEU HA H 106 4.043 4.125 -0.082 1
1 1191 . 17 1 1 A 106 106 LEU C C 106 178.091 178.281 -0.190 1
1 1192 . 17 1 1 A 106 106 LEU CA C 106 57.469 57.420 0.049 1
1 1193 . 17 1 1 A 106 106 LEU CB C 106 43.248 41.560 1.688 1
1 1197 . 17 1 1 A 106 106 LEU N N 106 119.086 120.375 -1.289 1
1 1198 . 17 1 1 A 107 107 HIS H H 107 7.861 8.016 -0.155 1
1 1199 . 17 1 1 A 107 107 HIS HA H 107 4.428 4.454 -0.026 1
1 1203 . 17 1 1 A 107 107 HIS C C 107 175.263 174.784 0.479 1
1 1204 . 17 1 1 A 107 107 HIS CA C 107 58.218 58.258 -0.040 1
1 1205 . 17 1 1 A 107 107 HIS CB C 107 30.819 30.458 0.361 1
1 1207 . 17 1 1 A 107 107 HIS N N 107 118.172 118.956 -0.784 1
1 1208 . 17 1 1 A 108 108 ALA H H 108 7.505 8.031 -0.526 1
1 1209 . 17 1 1 A 108 108 ALA HA H 108 4.218 3.875 0.343 1
1 1213 . 17 1 1 A 108 108 ALA C C 108 179.374 175.857 3.517 1
1 1214 . 17 1 1 A 108 108 ALA CA C 108 53.303 53.406 -0.103 1
1 1215 . 17 1 1 A 108 108 ALA CB C 108 20.005 17.762 2.243 1
1 1216 . 17 1 1 A 108 108 ALA N N 108 121.363 120.842 0.521 1
1 1217 . 17 1 1 A 109 109 HIS H H 109 7.987 7.818 0.169 1
1 1218 . 17 1 1 A 109 109 HIS HA H 109 4.770 5.021 -0.251 1
1 1221 . 17 1 1 A 109 109 HIS CA C 109 55.217 53.702 1.515 1
1 1222 . 17 1 1 A 109 109 HIS CB C 109 31.250 32.839 -1.589 1
1 1223 . 17 1 1 A 109 109 HIS N N 109 120.133 116.531 3.602 1
1 1224 . 17 1 1 A 110 110 PRO HA H 110 4.368 4.340 0.028 1
1 1231 . 17 1 1 A 110 110 PRO C C 110 177.350 176.796 0.554 1
1 1232 . 17 1 1 A 110 110 PRO CA C 110 64.430 63.602 0.828 1
1 1233 . 17 1 1 A 110 110 PRO CB C 110 32.912 31.748 1.164 1
1 1236 . 17 1 1 A 111 111 GLY H H 111 8.492 8.181 0.311 1
1 1237 . 17 1 1 A 111 111 GLY HA2 H 111 3.925 4.142 -0.217 1
1 1238 . 17 1 1 A 111 111 GLY HA3 H 111 3.925 4.154 -0.229 1
1 1239 . 17 1 1 A 111 111 GLY C C 111 173.681 173.031 0.650 1
1 1240 . 17 1 1 A 111 111 GLY CA C 111 45.831 45.410 0.421 1
1 1241 . 17 1 1 A 111 111 GLY N N 111 109.622 110.225 -0.603 1
1 1242 . 17 1 1 A 112 112 GLU H H 112 8.139 7.925 0.214 1
1 1243 . 17 1 1 A 112 112 GLU HA H 112 4.573 5.053 -0.480 1
1 1248 . 17 1 1 A 112 112 GLU CA C 112 55.099 53.833 1.266 1
1 1249 . 17 1 1 A 112 112 GLU CB C 112 30.664 32.931 -2.267 1
1 1251 . 17 1 1 A 112 112 GLU N N 112 121.771 116.431 5.340 1
1 1252 . 17 1 1 A 113 113 PRO HA H 113 4.411 4.497 -0.086 1
1 1259 . 17 1 1 A 113 113 PRO C C 113 176.943 176.612 0.331 1
1 1260 . 17 1 1 A 113 113 PRO CA C 113 63.990 63.215 0.775 1
1 1261 . 17 1 1 A 113 113 PRO CB C 113 32.817 31.957 0.860 1
1 1264 . 17 1 1 A 114 114 VAL H H 114 8.226 8.379 -0.153 1
1 1265 . 17 1 1 A 114 114 VAL HA H 114 4.036 4.289 -0.253 1
1 1273 . 17 1 1 A 114 114 VAL C C 114 175.708 176.936 -1.228 1
1 1274 . 17 1 1 A 114 114 VAL CA C 114 63.021 62.177 0.844 1
1 1275 . 17 1 1 A 114 114 VAL CB C 114 33.996 32.426 1.570 1
1 1278 . 17 1 1 A 114 114 VAL N N 114 120.138 122.390 -2.252 1
1 1279 . 17 1 1 A 115 115 ASP H H 115 8.313 8.706 -0.393 1
1 1280 . 17 1 1 A 115 115 ASP HA H 115 4.587 4.883 -0.296 1
1 1283 . 17 1 1 A 115 115 ASP C C 115 176.361 177.586 -1.225 1
1 1284 . 17 1 1 A 115 115 ASP CA C 115 54.760 53.601 1.159 1
1 1285 . 17 1 1 A 115 115 ASP CB C 115 41.888 40.736 1.152 1
1 1286 . 17 1 1 A 115 115 ASP N N 115 123.840 126.586 -2.746 1
1 1287 . 17 1 1 A 116 116 LEU H H 116 8.202 8.038 0.164 1
1 1288 . 17 1 1 A 116 116 LEU HA H 116 4.168 4.122 0.046 1
1 1298 . 17 1 1 A 116 116 LEU C C 116 177.811 176.836 0.975 1
1 1299 . 17 1 1 A 116 116 LEU CA C 116 56.696 58.074 -1.378 1
1 1300 . 17 1 1 A 116 116 LEU CB C 116 43.084 41.676 1.408 1
1 1304 . 17 1 1 A 116 116 LEU N N 116 123.362 118.444 4.918 1
1 1305 . 17 1 1 A 117 117 GLU H H 117 8.311 7.949 0.362 1
1 1306 . 17 1 1 A 117 117 GLU HA H 117 4.141 4.661 -0.520 1
1 1311 . 17 1 1 A 117 117 GLU C C 117 176.687 175.079 1.608 1
1 1312 . 17 1 1 A 117 117 GLU CA C 117 57.937 55.653 2.284 1
1 1313 . 17 1 1 A 117 117 GLU CB C 117 30.685 30.131 0.554 1
1 1315 . 17 1 1 A 117 117 GLU N N 117 119.881 118.864 1.017 1
1 1316 . 17 1 1 A 118 118 ARG H H 118 7.930 8.428 -0.498 1
1 1317 . 17 1 1 A 118 118 ARG HA H 118 4.223 4.715 -0.492 1
1 1324 . 17 1 1 A 118 118 ARG C C 118 176.125 177.100 -0.975 1
1 1325 . 17 1 1 A 118 118 ARG CA C 118 57.133 55.103 2.030 1
1 1326 . 17 1 1 A 118 118 ARG CB C 118 31.445 31.248 0.197 1
1 1329 . 17 1 1 A 118 118 ARG N N 118 120.580 126.613 -6.033 1
1 1330 . 17 1 1 A 119 119 ILE H H 119 7.926 7.399 0.527 1
1 1331 . 17 1 1 A 119 119 ILE HA H 119 4.041 4.175 -0.134 1
1 1341 . 17 1 1 A 119 119 ILE C C 119 176.166 176.226 -0.060 1
1 1342 . 17 1 1 A 119 119 ILE CA C 119 62.131 62.905 -0.774 1
1 1343 . 17 1 1 A 119 119 ILE CB C 119 39.327 39.128 0.199 1
1 1347 . 17 1 1 A 119 119 ILE N N 119 121.721 120.853 0.868 1
1 1348 . 17 1 1 A 120 120 ILE H H 120 8.152 7.937 0.215 1
1 1349 . 17 1 1 A 120 120 ILE HA H 120 4.038 4.169 -0.131 1
1 1359 . 17 1 1 A 120 120 ILE C C 120 175.922 174.844 1.078 1
1 1360 . 17 1 1 A 120 120 ILE CA C 120 61.812 61.048 0.764 1
1 1361 . 17 1 1 A 120 120 ILE CB C 120 39.091 35.864 3.227 1
1 1365 . 17 1 1 A 120 120 ILE N N 120 125.274 121.095 4.179 1
1 1366 . 17 1 1 A 121 121 ARG H H 121 8.266 8.300 -0.034 1
1 1367 . 17 1 1 A 121 121 ARG HA H 121 4.293 4.859 -0.566 1
1 1374 . 17 1 1 A 121 121 ARG CA C 121 56.489 54.209 2.280 1
1 1375 . 17 1 1 A 121 121 ARG CB C 121 31.785 33.397 -1.612 1
1 1378 . 17 1 1 A 121 121 ARG N N 121 125.412 124.731 0.681 1
1 1379 . 17 1 1 A 122 122 HIS HA H 122 5.066 5.012 0.054 1
1 1383 . 17 1 1 A 122 122 HIS C C 122 175.210 174.593 0.617 1
1 1384 . 17 1 1 A 122 122 HIS CA C 122 56.554 54.746 1.808 1
1 1385 . 17 1 1 A 122 122 HIS CB C 122 32.905 33.405 -0.500 1
1 1387 . 17 1 1 A 123 123 GLU H H 123 8.936 8.933 0.003 1
1 1388 . 17 1 1 A 123 123 GLU N N 123 121.008 124.992 -3.984 1
1 1389 . 17 1 1 A 124 124 GLY HA2 H 124 3.984 3.905 0.079 1
1 1390 . 17 1 1 A 124 124 GLY HA3 H 124 3.913 3.911 0.002 1
1 1391 . 17 1 1 A 124 124 GLY C C 124 173.408 173.780 -0.372 1
1 1392 . 17 1 1 A 124 124 GLY CA C 124 46.124 46.480 -0.356 1
1 10 . 18 1 1 A 2 2 GLY H H 2 8.402 9.040 -0.638 1
1 11 . 18 1 1 A 2 2 GLY HA2 H 2 3.903 3.984 -0.081 1
1 12 . 18 1 1 A 2 2 GLY HA3 H 2 3.903 4.041 -0.138 1
1 13 . 18 1 1 A 2 2 GLY C C 2 172.919 173.951 -1.032 1
1 14 . 18 1 1 A 2 2 GLY CA C 2 45.814 45.552 0.262 1
1 15 . 18 1 1 A 2 2 GLY N N 2 110.769 115.217 -4.448 1
1 16 . 18 1 1 A 3 3 HIS H H 3 8.198 7.720 0.478 1
1 17 . 18 1 1 A 3 3 HIS N N 3 120.514 121.089 -0.575 1
1 18 . 18 1 1 A 4 4 MET HA H 4 4.688 4.970 -0.282 1
1 26 . 18 1 1 A 4 4 MET CA C 4 56.462 54.177 2.285 1
1 27 . 18 1 1 A 4 4 MET CB C 4 35.293 32.752 2.541 1
1 30 . 18 1 1 A 5 5 PHE H H 5 8.690 9.213 -0.523 1
1 31 . 18 1 1 A 5 5 PHE HA H 5 5.254 5.038 0.216 1
1 39 . 18 1 1 A 5 5 PHE C C 5 173.490 174.515 -1.025 1
1 40 . 18 1 1 A 5 5 PHE CA C 5 58.548 57.900 0.648 1
1 41 . 18 1 1 A 5 5 PHE CB C 5 43.312 41.661 1.651 1
1 47 . 18 1 1 A 5 5 PHE N N 5 123.462 126.738 -3.276 1
1 48 . 18 1 1 A 6 6 GLU H H 6 7.963 8.739 -0.776 1
1 49 . 18 1 1 A 6 6 GLU HA H 6 4.182 4.546 -0.364 1
1 54 . 18 1 1 A 6 6 GLU CA C 6 53.572 53.900 -0.328 1
1 55 . 18 1 1 A 6 6 GLU CB C 6 31.259 32.552 -1.293 1
1 57 . 18 1 1 A 6 6 GLU N N 6 127.826 123.934 3.892 1
1 58 . 18 1 1 A 7 7 PRO HA H 7 3.783 4.160 -0.377 1
1 65 . 18 1 1 A 7 7 PRO C C 7 177.433 177.328 0.105 1
1 66 . 18 1 1 A 7 7 PRO CA C 7 66.503 63.620 2.883 1
1 67 . 18 1 1 A 7 7 PRO CB C 7 31.785 31.232 0.553 1
1 70 . 18 1 1 A 8 8 GLY H H 8 7.537 8.158 -0.621 1
1 71 . 18 1 1 A 8 8 GLY HA2 H 8 3.896 3.105 0.791 1
1 72 . 18 1 1 A 8 8 GLY HA3 H 8 2.085 3.592 -1.507 1
1 73 . 18 1 1 A 8 8 GLY C C 8 174.730 172.713 2.017 1
1 74 . 18 1 1 A 8 8 GLY CA C 8 46.895 44.586 2.309 1
1 75 . 18 1 1 A 8 8 GLY N N 8 111.178 112.371 -1.193 1
1 76 . 18 1 1 A 9 9 HIS H H 9 9.112 7.323 1.789 1
1 77 . 18 1 1 A 9 9 HIS HA H 9 5.699 5.135 0.564 1
1 81 . 18 1 1 A 9 9 HIS C C 9 170.886 172.971 -2.085 1
1 82 . 18 1 1 A 9 9 HIS CA C 9 55.252 56.002 -0.750 1
1 83 . 18 1 1 A 9 9 HIS CB C 9 32.029 32.816 -0.787 1
1 85 . 18 1 1 A 9 9 HIS N N 9 122.719 118.093 4.626 1
1 86 . 18 1 1 A 10 10 LEU H H 10 9.637 8.580 1.057 1
1 87 . 18 1 1 A 10 10 LEU HA H 10 5.198 4.993 0.205 1
1 97 . 18 1 1 A 10 10 LEU C C 10 173.565 173.501 0.064 1
1 98 . 18 1 1 A 10 10 LEU CA C 10 54.377 54.062 0.315 1
1 99 . 18 1 1 A 10 10 LEU CB C 10 46.916 46.284 0.632 1
1 103 . 18 1 1 A 10 10 LEU N N 10 130.516 125.487 5.029 1
1 104 . 18 1 1 A 11 11 HIS H H 11 9.237 8.710 0.527 1
1 105 . 18 1 1 A 11 11 HIS HA H 11 5.478 5.365 0.113 1
1 109 . 18 1 1 A 11 11 HIS C C 11 173.559 173.316 0.243 1
1 110 . 18 1 1 A 11 11 HIS CA C 11 53.302 54.100 -0.798 1
1 111 . 18 1 1 A 11 11 HIS CB C 11 34.638 33.140 1.498 1
1 113 . 18 1 1 A 11 11 HIS N N 11 128.715 125.597 3.118 1
1 114 . 18 1 1 A 12 12 LEU H H 12 9.370 9.192 0.178 1
1 115 . 18 1 1 A 12 12 LEU HA H 12 4.863 5.120 -0.257 1
1 125 . 18 1 1 A 12 12 LEU CA C 12 54.243 53.294 0.949 1
1 126 . 18 1 1 A 12 12 LEU CB C 12 45.047 44.210 0.837 1
1 130 . 18 1 1 A 12 12 LEU N N 12 127.423 127.055 0.368 1
1 131 . 18 1 1 A 13 13 VAL HA H 13 4.847 4.766 0.081 1
1 139 . 18 1 1 A 13 13 VAL CA C 13 60.665 59.778 0.887 1
1 140 . 18 1 1 A 13 13 VAL CB C 13 35.978 34.746 1.232 1
1 143 . 18 1 1 A 14 14 SER H H 14 8.220 8.709 -0.489 1
1 144 . 18 1 1 A 14 14 SER HA H 14 4.563 4.677 -0.114 1
1 147 . 18 1 1 A 14 14 SER CA C 14 58.588 57.652 0.936 1
1 148 . 18 1 1 A 14 14 SER CB C 14 65.442 65.052 0.390 1
1 149 . 18 1 1 A 14 14 SER N N 14 118.092 118.563 -0.471 1
1 150 . 18 1 1 A 15 15 LEU H H 15 8.965 8.441 0.524 1
1 151 . 18 1 1 A 15 15 LEU HA H 15 4.725 4.237 0.488 1
1 161 . 18 1 1 A 15 15 LEU CA C 15 53.203 54.170 -0.967 1
1 162 . 18 1 1 A 15 15 LEU CB C 15 42.658 41.906 0.752 1
1 166 . 18 1 1 A 15 15 LEU N N 15 124.969 123.151 1.818 1
1 167 . 18 1 1 A 16 16 PRO HA H 16 4.326 4.267 0.059 1
1 174 . 18 1 1 A 16 16 PRO C C 16 177.551 177.432 0.119 1
1 175 . 18 1 1 A 16 16 PRO CA C 16 64.262 64.123 0.139 1
1 176 . 18 1 1 A 16 16 PRO CB C 16 32.855 31.410 1.445 1
1 179 . 18 1 1 A 17 17 GLY H H 17 8.597 8.856 -0.259 1
1 180 . 18 1 1 A 17 17 GLY HA2 H 17 4.091 3.893 0.198 1
1 181 . 18 1 1 A 17 17 GLY HA3 H 17 3.773 3.897 -0.124 1
1 182 . 18 1 1 A 17 17 GLY C C 17 173.908 174.922 -1.014 1
1 183 . 18 1 1 A 17 17 GLY CA C 17 46.155 45.269 0.886 1
1 184 . 18 1 1 A 17 17 GLY N N 17 110.651 112.593 -1.942 1
1 185 . 18 1 1 A 18 18 LEU H H 18 7.998 8.016 -0.018 1
1 186 . 18 1 1 A 18 18 LEU HA H 18 4.318 3.953 0.365 1
1 192 . 18 1 1 A 18 18 LEU CA C 18 56.800 56.270 0.530 1
1 193 . 18 1 1 A 18 18 LEU CB C 18 43.502 40.094 3.408 1
1 195 . 18 1 1 A 18 18 LEU N N 18 122.006 117.405 4.601 1
1 196 . 18 1 1 A 19 19 ASP HA H 19 4.330 4.345 -0.015 1
1 199 . 18 1 1 A 19 19 ASP CA C 19 56.800 56.746 0.054 1
1 200 . 18 1 1 A 19 19 ASP CB C 19 43.498 39.954 3.544 1
1 201 . 18 1 1 A 20 20 GLN HA H 20 4.248 4.270 -0.022 1
1 208 . 18 1 1 A 20 20 GLN CA C 20 56.991 55.053 1.938 1
1 209 . 18 1 1 A 20 20 GLN CB C 20 31.005 29.627 1.378 1
1 212 . 18 1 1 A 21 21 GLN H H 21 7.823 8.364 -0.541 1
1 213 . 18 1 1 A 21 21 GLN HA H 21 4.478 4.384 0.094 1
1 220 . 18 1 1 A 21 21 GLN C C 21 174.199 174.998 -0.799 1
1 221 . 18 1 1 A 21 21 GLN CA C 21 56.424 54.629 1.795 1
1 222 . 18 1 1 A 21 21 GLN CB C 21 33.930 29.439 4.491 1
1 224 . 18 1 1 A 21 21 GLN N N 21 118.190 121.149 -2.959 1
1 226 . 18 1 1 A 22 22 ASP H H 22 8.549 8.535 0.014 1
1 227 . 18 1 1 A 22 22 ASP HA H 22 4.708 4.734 -0.026 1
1 230 . 18 1 1 A 22 22 ASP C C 22 175.399 175.366 0.033 1
1 231 . 18 1 1 A 22 22 ASP CA C 22 54.415 53.476 0.939 1
1 232 . 18 1 1 A 22 22 ASP CB C 22 42.744 40.145 2.599 1
1 233 . 18 1 1 A 22 22 ASP N N 22 122.563 120.887 1.676 1
1 234 . 18 1 1 A 23 23 ILE H H 23 8.681 8.362 0.319 1
1 235 . 18 1 1 A 23 23 ILE HA H 23 4.726 5.096 -0.370 1
1 245 . 18 1 1 A 23 23 ILE C C 23 174.896 175.407 -0.511 1
1 246 . 18 1 1 A 23 23 ILE CA C 23 60.384 59.402 0.982 1
1 247 . 18 1 1 A 23 23 ILE CB C 23 42.843 40.084 2.759 1
1 251 . 18 1 1 A 23 23 ILE N N 23 121.642 121.589 0.053 1
1 252 . 18 1 1 A 24 24 ASN H H 24 8.224 9.015 -0.791 1
1 253 . 18 1 1 A 24 24 ASN HA H 24 5.252 5.933 -0.681 1
1 258 . 18 1 1 A 24 24 ASN C C 24 174.672 173.447 1.225 1
1 259 . 18 1 1 A 24 24 ASN CA C 24 54.262 51.880 2.382 1
1 260 . 18 1 1 A 24 24 ASN CB C 24 40.495 42.748 -2.253 1
1 261 . 18 1 1 A 24 24 ASN N N 24 124.418 120.109 4.309 1
1 263 . 18 1 1 A 25 25 ILE H H 25 9.453 8.897 0.556 1
1 264 . 18 1 1 A 25 25 ILE HA H 25 4.896 5.129 -0.233 1
1 274 . 18 1 1 A 25 25 ILE C C 25 173.645 174.834 -1.189 1
1 275 . 18 1 1 A 25 25 ILE CA C 25 61.580 60.438 1.142 1
1 276 . 18 1 1 A 25 25 ILE CB C 25 44.146 42.479 1.667 1
1 280 . 18 1 1 A 25 25 ILE N N 25 122.056 122.273 -0.217 1
1 281 . 18 1 1 A 26 26 HIS H H 26 9.716 8.960 0.756 1
1 282 . 18 1 1 A 26 26 HIS HA H 26 5.404 5.473 -0.069 1
1 286 . 18 1 1 A 26 26 HIS C C 26 175.078 174.849 0.229 1
1 287 . 18 1 1 A 26 26 HIS CA C 26 55.881 54.588 1.293 1
1 288 . 18 1 1 A 26 26 HIS CB C 26 32.829 32.487 0.342 1
1 290 . 18 1 1 A 26 26 HIS N N 26 126.720 125.406 1.314 1
1 291 . 18 1 1 A 27 27 ILE H H 27 9.935 9.225 0.710 1
1 292 . 18 1 1 A 27 27 ILE HA H 27 5.096 5.002 0.094 1
1 302 . 18 1 1 A 27 27 ILE C C 27 174.860 175.160 -0.300 1
1 303 . 18 1 1 A 27 27 ILE CA C 27 61.915 60.991 0.924 1
1 304 . 18 1 1 A 27 27 ILE CB C 27 40.667 40.462 0.205 1
1 308 . 18 1 1 A 27 27 ILE N N 27 123.352 122.989 0.363 1
1 309 . 18 1 1 A 28 28 ARG H H 28 9.315 9.284 0.031 1
1 310 . 18 1 1 A 28 28 ARG HA H 28 5.621 4.993 0.628 1
1 317 . 18 1 1 A 28 28 ARG C C 28 175.573 175.624 -0.051 1
1 318 . 18 1 1 A 28 28 ARG CA C 28 54.904 55.402 -0.498 1
1 319 . 18 1 1 A 28 28 ARG CB C 28 33.782 32.257 1.525 1
1 322 . 18 1 1 A 28 28 ARG N N 28 127.731 127.636 0.095 1
1 323 . 18 1 1 A 29 29 TYR H H 29 7.656 8.616 -0.960 1
1 324 . 18 1 1 A 29 29 TYR HA H 29 5.831 5.463 0.368 1
1 331 . 18 1 1 A 29 29 TYR C C 29 173.770 174.619 -0.849 1
1 332 . 18 1 1 A 29 29 TYR CA C 29 55.377 55.662 -0.285 1
1 333 . 18 1 1 A 29 29 TYR CB C 29 43.035 41.332 1.703 1
1 338 . 18 1 1 A 29 29 TYR N N 29 117.229 119.664 -2.435 1
1 339 . 18 1 1 A 30 30 GLU H H 30 8.323 8.157 0.166 1
1 340 . 18 1 1 A 30 30 GLU HA H 30 4.381 4.772 -0.391 1
1 345 . 18 1 1 A 30 30 GLU C C 30 173.976 175.174 -1.198 1
1 346 . 18 1 1 A 30 30 GLU CA C 30 55.235 54.713 0.522 1
1 347 . 18 1 1 A 30 30 GLU CB C 30 34.494 32.090 2.404 1
1 349 . 18 1 1 A 30 30 GLU N N 30 117.003 124.045 -7.042 1
1 350 . 18 1 1 A 31 31 VAL H H 31 8.957 8.579 0.378 1
1 351 . 18 1 1 A 31 31 VAL HA H 31 4.262 4.263 -0.001 1
1 359 . 18 1 1 A 31 31 VAL C C 31 175.045 175.062 -0.017 1
1 360 . 18 1 1 A 31 31 VAL CA C 31 63.418 62.224 1.194 1
1 361 . 18 1 1 A 31 31 VAL CB C 31 32.211 31.340 0.871 1
1 364 . 18 1 1 A 31 31 VAL N N 31 125.299 125.481 -0.182 1
1 365 . 18 1 1 A 32 32 ARG H H 32 8.550 8.501 0.049 1
1 366 . 18 1 1 A 32 32 ARG HA H 32 4.408 5.006 -0.598 1
1 373 . 18 1 1 A 32 32 ARG C C 32 173.222 174.424 -1.202 1
1 374 . 18 1 1 A 32 32 ARG CA C 32 55.048 53.523 1.525 1
1 375 . 18 1 1 A 32 32 ARG CB C 32 34.646 33.608 1.038 1
1 378 . 18 1 1 A 32 32 ARG N N 32 128.345 128.836 -0.491 1
1 379 . 18 1 1 A 33 33 GLN H H 33 8.148 8.714 -0.566 1
1 380 . 18 1 1 A 33 33 GLN HA H 33 4.697 5.253 -0.556 1
1 387 . 18 1 1 A 33 33 GLN C C 33 175.419 175.557 -0.138 1
1 388 . 18 1 1 A 33 33 GLN CA C 33 55.943 54.789 1.154 1
1 389 . 18 1 1 A 33 33 GLN CB C 33 31.679 30.620 1.059 1
1 391 . 18 1 1 A 33 33 GLN N N 33 116.088 123.011 -6.923 1
1 393 . 18 1 1 A 34 34 ASN H H 34 8.323 8.959 -0.636 1
1 394 . 18 1 1 A 34 34 ASN HA H 34 4.825 5.181 -0.356 1
1 399 . 18 1 1 A 34 34 ASN CA C 34 53.468 52.371 1.097 1
1 400 . 18 1 1 A 34 34 ASN CB C 34 41.559 39.874 1.685 1
1 401 . 18 1 1 A 34 34 ASN N N 34 121.088 122.709 -1.621 1
1 403 . 18 1 1 A 35 35 ALA HA H 35 4.099 4.066 0.033 1
1 407 . 18 1 1 A 35 35 ALA C C 35 178.472 179.287 -0.815 1
1 408 . 18 1 1 A 35 35 ALA CA C 35 55.591 54.203 1.388 1
1 409 . 18 1 1 A 35 35 ALA CB C 35 19.600 18.592 1.008 1
1 410 . 18 1 1 A 36 36 GLU H H 36 8.362 8.052 0.310 1
1 411 . 18 1 1 A 36 36 GLU HA H 36 4.263 4.096 0.167 1
1 416 . 18 1 1 A 36 36 GLU C C 36 177.727 177.824 -0.097 1
1 417 . 18 1 1 A 36 36 GLU CA C 36 59.010 58.754 0.256 1
1 418 . 18 1 1 A 36 36 GLU CB C 36 31.059 30.216 0.843 1
1 420 . 18 1 1 A 36 36 GLU N N 36 116.669 119.409 -2.740 1
1 421 . 18 1 1 A 37 37 SER H H 37 8.338 8.152 0.186 1
1 422 . 18 1 1 A 37 37 SER HA H 37 4.515 4.698 -0.183 1
1 425 . 18 1 1 A 37 37 SER C C 37 175.134 174.550 0.584 1
1 426 . 18 1 1 A 37 37 SER CA C 37 59.568 58.175 1.393 1
1 427 . 18 1 1 A 37 37 SER CB C 37 65.114 64.299 0.815 1
1 428 . 18 1 1 A 37 37 SER N N 37 111.971 112.860 -0.889 1
1 429 . 18 1 1 A 38 38 GLY H H 38 8.098 7.857 0.241 1
1 430 . 18 1 1 A 38 38 GLY HA2 H 38 4.294 3.968 0.326 1
1 431 . 18 1 1 A 38 38 GLY HA3 H 38 3.975 3.975 0.000 1
1 432 . 18 1 1 A 38 38 GLY C C 38 173.759 173.948 -0.189 1
1 433 . 18 1 1 A 38 38 GLY CA C 38 45.904 46.033 -0.129 1
1 434 . 18 1 1 A 38 38 GLY N N 38 111.508 109.755 1.753 1
1 435 . 18 1 1 A 39 39 ALA H H 39 8.450 8.092 0.358 1
1 436 . 18 1 1 A 39 39 ALA HA H 39 4.902 4.601 0.301 1
1 440 . 18 1 1 A 39 39 ALA C C 39 177.193 177.228 -0.035 1
1 441 . 18 1 1 A 39 39 ALA CA C 39 52.880 52.118 0.762 1
1 442 . 18 1 1 A 39 39 ALA CB C 39 20.714 19.568 1.146 1
1 443 . 18 1 1 A 39 39 ALA N N 39 124.210 126.447 -2.237 1
1 444 . 18 1 1 A 40 40 TYR H H 40 8.854 8.570 0.284 1
1 445 . 18 1 1 A 40 40 TYR HA H 40 4.796 5.302 -0.506 1
1 452 . 18 1 1 A 40 40 TYR C C 40 171.595 172.385 -0.790 1
1 453 . 18 1 1 A 40 40 TYR CA C 40 56.552 55.911 0.641 1
1 454 . 18 1 1 A 40 40 TYR CB C 40 41.319 40.672 0.647 1
1 459 . 18 1 1 A 40 40 TYR N N 40 118.580 117.017 1.563 1
1 460 . 18 1 1 A 41 41 VAL H H 41 9.275 8.550 0.725 1
1 461 . 18 1 1 A 41 41 VAL HA H 41 4.430 4.489 -0.059 1
1 469 . 18 1 1 A 41 41 VAL C C 41 174.098 174.561 -0.463 1
1 470 . 18 1 1 A 41 41 VAL CA C 41 61.566 60.769 0.797 1
1 471 . 18 1 1 A 41 41 VAL CB C 41 33.852 34.009 -0.157 1
1 474 . 18 1 1 A 41 41 VAL N N 41 118.445 119.300 -0.855 1
1 475 . 18 1 1 A 42 42 HIS H H 42 8.789 8.576 0.213 1
1 476 . 18 1 1 A 42 42 HIS HA H 42 4.814 4.877 -0.063 1
1 480 . 18 1 1 A 42 42 HIS C C 42 172.353 173.305 -0.952 1
1 481 . 18 1 1 A 42 42 HIS CA C 42 56.537 54.914 1.623 1
1 482 . 18 1 1 A 42 42 HIS CB C 42 31.587 30.642 0.945 1
1 484 . 18 1 1 A 42 42 HIS N N 42 125.741 126.468 -0.727 1
1 485 . 18 1 1 A 43 43 PHE H H 43 8.604 8.965 -0.361 1
1 486 . 18 1 1 A 43 43 PHE HA H 43 4.933 5.212 -0.279 1
1 494 . 18 1 1 A 43 43 PHE C C 43 174.119 174.167 -0.048 1
1 495 . 18 1 1 A 43 43 PHE CA C 43 56.591 57.010 -0.419 1
1 496 . 18 1 1 A 43 43 PHE CB C 43 41.053 40.076 0.977 1
1 502 . 18 1 1 A 43 43 PHE N N 43 125.631 126.443 -0.812 1
1 503 . 18 1 1 A 44 44 ASP H H 44 9.322 9.118 0.204 1
1 504 . 18 1 1 A 44 44 ASP HA H 44 5.187 5.666 -0.479 1
1 507 . 18 1 1 A 44 44 ASP C C 44 175.076 174.351 0.725 1
1 508 . 18 1 1 A 44 44 ASP CA C 44 55.145 52.777 2.368 1
1 509 . 18 1 1 A 44 44 ASP CB C 44 45.197 44.856 0.341 1
1 510 . 18 1 1 A 44 44 ASP N N 44 121.184 123.310 -2.126 1
1 511 . 18 1 1 A 45 45 MET H H 45 9.110 8.762 0.348 1
1 512 . 18 1 1 A 45 45 MET HA H 45 5.765 5.865 -0.100 1
1 520 . 18 1 1 A 45 45 MET C C 45 173.254 174.350 -1.096 1
1 521 . 18 1 1 A 45 45 MET CA C 45 54.810 54.724 0.086 1
1 522 . 18 1 1 A 45 45 MET CB C 45 38.632 36.915 1.717 1
1 525 . 18 1 1 A 45 45 MET N N 45 121.976 123.533 -1.557 1
1 526 . 18 1 1 A 46 46 ASP H H 46 8.763 8.678 0.085 1
1 527 . 18 1 1 A 46 46 ASP HA H 46 4.373 4.792 -0.419 1
1 530 . 18 1 1 A 46 46 ASP C C 46 173.396 173.861 -0.465 1
1 531 . 18 1 1 A 46 46 ASP CA C 46 53.810 52.367 1.443 1
1 532 . 18 1 1 A 46 46 ASP CB C 46 44.722 43.767 0.955 1
1 533 . 18 1 1 A 46 46 ASP N N 46 121.797 122.228 -0.431 1
1 534 . 18 1 1 A 47 47 GLY H H 47 7.154 7.083 0.071 1
1 535 . 18 1 1 A 47 47 GLY HA2 H 47 5.075 3.761 1.314 1
1 536 . 18 1 1 A 47 47 GLY HA3 H 47 3.927 3.780 0.147 1
1 537 . 18 1 1 A 47 47 GLY C C 47 172.328 171.684 0.644 1
1 538 . 18 1 1 A 47 47 GLY CA C 47 45.820 45.065 0.755 1
1 539 . 18 1 1 A 47 47 GLY N N 47 105.470 104.961 0.509 1
1 540 . 18 1 1 A 48 48 GLU H H 48 9.100 8.791 0.309 1
1 541 . 18 1 1 A 48 48 GLU HA H 48 5.257 5.655 -0.398 1
1 546 . 18 1 1 A 48 48 GLU C C 48 175.019 174.495 0.524 1
1 547 . 18 1 1 A 48 48 GLU CA C 48 56.247 54.959 1.288 1
1 548 . 18 1 1 A 48 48 GLU CB C 48 35.076 31.890 3.186 1
1 550 . 18 1 1 A 48 48 GLU N N 48 119.799 117.857 1.942 1
1 551 . 18 1 1 A 49 49 ILE H H 49 7.945 8.462 -0.517 1
1 552 . 18 1 1 A 49 49 ILE HA H 49 4.540 4.624 -0.084 1
1 562 . 18 1 1 A 49 49 ILE C C 49 176.382 176.335 0.047 1
1 563 . 18 1 1 A 49 49 ILE CA C 49 61.321 60.051 1.270 1
1 564 . 18 1 1 A 49 49 ILE CB C 49 41.847 38.697 3.150 1
1 568 . 18 1 1 A 49 49 ILE N N 49 120.718 126.359 -5.641 1
1 569 . 18 1 1 A 50 50 ASP H H 50 10.048 9.456 0.592 1
1 570 . 18 1 1 A 50 50 ASP HA H 50 4.522 4.326 0.196 1
1 573 . 18 1 1 A 50 50 ASP C C 50 176.193 175.460 0.733 1
1 574 . 18 1 1 A 50 50 ASP CA C 50 56.872 55.122 1.750 1
1 575 . 18 1 1 A 50 50 ASP CB C 50 40.754 39.846 0.908 1
1 576 . 18 1 1 A 50 50 ASP N N 50 130.256 127.949 2.307 1
1 577 . 18 1 1 A 51 51 GLY H H 51 9.048 8.612 0.436 1
1 578 . 18 1 1 A 51 51 GLY HA2 H 51 4.126 3.898 0.228 1
1 579 . 18 1 1 A 51 51 GLY HA3 H 51 3.660 3.904 -0.244 1
1 580 . 18 1 1 A 51 51 GLY C C 51 173.935 173.869 0.066 1
1 581 . 18 1 1 A 51 51 GLY CA C 51 46.194 45.375 0.819 1
1 582 . 18 1 1 A 51 51 GLY N N 51 103.446 104.350 -0.904 1
1 583 . 18 1 1 A 52 52 LYS H H 52 7.905 7.690 0.215 1
1 584 . 18 1 1 A 52 52 LYS HA H 52 5.014 4.545 0.469 1
1 593 . 18 1 1 A 52 52 LYS CA C 52 53.809 52.814 0.995 1
1 594 . 18 1 1 A 52 52 LYS CB C 52 33.788 32.815 0.973 1
1 598 . 18 1 1 A 52 52 LYS N N 52 122.692 121.225 1.467 1
1 599 . 18 1 1 A 53 53 PRO HA H 53 5.523 5.253 0.270 1
1 606 . 18 1 1 A 53 53 PRO C C 53 176.300 176.725 -0.425 1
1 607 . 18 1 1 A 53 53 PRO CA C 53 62.896 62.465 0.431 1
1 608 . 18 1 1 A 53 53 PRO CB C 53 33.920 32.761 1.159 1
1 611 . 18 1 1 A 54 54 PHE H H 54 8.643 8.588 0.055 1
1 612 . 18 1 1 A 54 54 PHE HA H 54 4.907 5.211 -0.304 1
1 620 . 18 1 1 A 54 54 PHE C C 54 172.840 173.120 -0.280 1
1 621 . 18 1 1 A 54 54 PHE CA C 54 57.173 55.744 1.429 1
1 622 . 18 1 1 A 54 54 PHE CB C 54 43.620 42.400 1.220 1
1 628 . 18 1 1 A 54 54 PHE N N 54 117.436 118.990 -1.554 1
1 629 . 18 1 1 A 55 55 SER H H 55 8.009 9.110 -1.101 1
1 630 . 18 1 1 A 55 55 SER HA H 55 4.822 5.254 -0.432 1
1 633 . 18 1 1 A 55 55 SER C C 55 172.856 172.781 0.075 1
1 634 . 18 1 1 A 55 55 SER CA C 55 58.238 57.060 1.178 1
1 635 . 18 1 1 A 55 55 SER CB C 55 66.163 65.497 0.666 1
1 636 . 18 1 1 A 55 55 SER N N 55 113.907 114.175 -0.268 1
1 637 . 18 1 1 A 56 56 ASP H H 56 9.593 8.928 0.665 1
1 638 . 18 1 1 A 56 56 ASP HA H 56 4.985 5.538 -0.553 1
1 641 . 18 1 1 A 56 56 ASP C C 56 175.049 173.988 1.061 1
1 642 . 18 1 1 A 56 56 ASP CA C 56 54.043 53.512 0.531 1
1 643 . 18 1 1 A 56 56 ASP CB C 56 46.425 45.149 1.276 1
1 644 . 18 1 1 A 56 56 ASP N N 56 125.145 124.832 0.313 1
1 645 . 18 1 1 A 57 57 SER H H 57 10.207 8.724 1.483 1
1 646 . 18 1 1 A 57 57 SER HA H 57 5.383 5.306 0.077 1
1 649 . 18 1 1 A 57 57 SER C C 57 172.452 173.204 -0.752 1
1 650 . 18 1 1 A 57 57 SER CA C 57 59.008 57.438 1.570 1
1 651 . 18 1 1 A 57 57 SER CB C 57 67.802 66.556 1.246 1
1 652 . 18 1 1 A 57 57 SER N N 57 115.172 118.286 -3.114 1
1 653 . 18 1 1 A 58 58 PHE H H 58 8.623 8.517 0.106 1
1 654 . 18 1 1 A 58 58 PHE HA H 58 4.904 5.492 -0.588 1
1 662 . 18 1 1 A 58 58 PHE C C 58 172.447 172.759 -0.312 1
1 663 . 18 1 1 A 58 58 PHE CA C 58 57.781 55.502 2.279 1
1 664 . 18 1 1 A 58 58 PHE CB C 58 40.736 42.901 -2.165 1
1 670 . 18 1 1 A 58 58 PHE N N 58 115.065 119.171 -4.106 1
1 671 . 18 1 1 A 59 59 GLU H H 59 8.721 8.885 -0.164 1
1 672 . 18 1 1 A 59 59 GLU HA H 59 5.595 5.496 0.099 1
1 677 . 18 1 1 A 59 59 GLU C C 59 175.836 175.558 0.278 1
1 678 . 18 1 1 A 59 59 GLU CA C 59 55.290 55.228 0.062 1
1 679 . 18 1 1 A 59 59 GLU CB C 59 34.345 32.957 1.388 1
1 681 . 18 1 1 A 59 59 GLU N N 59 118.122 119.175 -1.053 1
1 682 . 18 1 1 A 60 60 LEU H H 60 9.016 9.032 -0.016 1
1 683 . 18 1 1 A 60 60 LEU HA H 60 5.221 5.030 0.191 1
1 693 . 18 1 1 A 60 60 LEU CA C 60 52.275 51.136 1.139 1
1 694 . 18 1 1 A 60 60 LEU CB C 60 46.774 45.752 1.022 1
1 698 . 18 1 1 A 60 60 LEU N N 60 121.299 124.710 -3.411 1
1 699 . 18 1 1 A 61 61 PRO HA H 61 4.614 4.684 -0.070 1
1 706 . 18 1 1 A 61 61 PRO C C 61 176.316 177.664 -1.348 1
1 707 . 18 1 1 A 61 61 PRO CA C 61 62.719 62.584 0.135 1
1 708 . 18 1 1 A 61 61 PRO CB C 61 33.758 32.842 0.916 1
1 711 . 18 1 1 A 62 62 ARG H H 62 8.017 9.062 -1.045 1
1 712 . 18 1 1 A 62 62 ARG HA H 62 3.738 3.861 -0.123 1
1 719 . 18 1 1 A 62 62 ARG C C 62 176.976 177.362 -0.386 1
1 720 . 18 1 1 A 62 62 ARG CA C 62 60.653 59.394 1.259 1
1 721 . 18 1 1 A 62 62 ARG CB C 62 31.549 30.154 1.395 1
1 724 . 18 1 1 A 62 62 ARG N N 62 118.159 121.510 -3.351 1
1 725 . 18 1 1 A 63 63 ASP H H 63 8.665 7.761 0.904 1
1 726 . 18 1 1 A 63 63 ASP HA H 63 4.484 4.537 -0.053 1
1 729 . 18 1 1 A 63 63 ASP C C 63 177.483 177.214 0.269 1
1 730 . 18 1 1 A 63 63 ASP CA C 63 57.335 56.447 0.888 1
1 731 . 18 1 1 A 63 63 ASP CB C 63 41.410 41.135 0.275 1
1 732 . 18 1 1 A 63 63 ASP N N 63 113.726 119.188 -5.462 1
1 733 . 18 1 1 A 64 64 THR H H 64 7.553 7.607 -0.054 1
1 734 . 18 1 1 A 64 64 THR HA H 64 4.562 4.734 -0.172 1
1 739 . 18 1 1 A 64 64 THR C C 64 175.654 175.460 0.194 1
1 740 . 18 1 1 A 64 64 THR CA C 64 61.499 60.996 0.503 1
1 741 . 18 1 1 A 64 64 THR CB C 64 69.606 69.436 0.170 1
1 743 . 18 1 1 A 64 64 THR N N 64 107.855 108.324 -0.469 1
1 744 . 18 1 1 A 65 65 ALA H H 65 7.406 7.538 -0.132 1
1 745 . 18 1 1 A 65 65 ALA HA H 65 4.012 4.208 -0.196 1
1 749 . 18 1 1 A 65 65 ALA C C 65 176.820 179.506 -2.686 1
1 750 . 18 1 1 A 65 65 ALA CA C 65 55.939 54.883 1.056 1
1 751 . 18 1 1 A 65 65 ALA CB C 65 19.454 18.026 1.428 1
1 752 . 18 1 1 A 65 65 ALA N N 65 123.777 125.848 -2.071 1
1 753 . 18 1 1 A 66 66 PHE H H 66 7.583 7.392 0.191 1
1 754 . 18 1 1 A 66 66 PHE HA H 66 4.381 4.694 -0.313 1
1 762 . 18 1 1 A 66 66 PHE C C 66 176.104 177.120 -1.016 1
1 763 . 18 1 1 A 66 66 PHE CA C 66 58.836 60.787 -1.951 1
1 764 . 18 1 1 A 66 66 PHE CB C 66 37.740 38.150 -0.410 1
1 770 . 18 1 1 A 66 66 PHE N N 66 110.346 115.678 -5.332 1
1 771 . 18 1 1 A 67 67 ASN H H 67 7.984 8.251 -0.267 1
1 772 . 18 1 1 A 67 67 ASN HA H 67 4.848 4.920 -0.072 1
1 777 . 18 1 1 A 67 67 ASN C C 67 175.700 176.113 -0.413 1
1 778 . 18 1 1 A 67 67 ASN CA C 67 53.469 53.195 0.274 1
1 779 . 18 1 1 A 67 67 ASN CB C 67 38.836 39.131 -0.295 1
1 780 . 18 1 1 A 67 67 ASN N N 67 120.591 118.601 1.990 1
1 782 . 18 1 1 A 68 68 PHE H H 68 7.218 8.038 -0.820 1
1 783 . 18 1 1 A 68 68 PHE HA H 68 4.054 4.070 -0.016 1
1 790 . 18 1 1 A 68 68 PHE C C 68 174.796 176.890 -2.094 1
1 791 . 18 1 1 A 68 68 PHE CA C 68 60.849 60.896 -0.047 1
1 792 . 18 1 1 A 68 68 PHE CB C 68 40.263 37.583 2.680 1
1 797 . 18 1 1 A 68 68 PHE N N 68 115.915 118.894 -2.979 1
1 798 . 18 1 1 A 69 69 ALA H H 69 7.780 7.360 0.420 1
1 799 . 18 1 1 A 69 69 ALA HA H 69 3.484 3.859 -0.375 1
1 803 . 18 1 1 A 69 69 ALA C C 69 180.022 179.361 0.661 1
1 804 . 18 1 1 A 69 69 ALA CA C 69 56.283 54.791 1.492 1
1 805 . 18 1 1 A 69 69 ALA CB C 69 18.935 17.708 1.227 1
1 806 . 18 1 1 A 69 69 ALA N N 69 124.604 123.635 0.969 1
1 807 . 18 1 1 A 70 70 SER H H 70 7.852 7.599 0.253 1
1 808 . 18 1 1 A 70 70 SER HA H 70 4.061 3.996 0.065 1
1 811 . 18 1 1 A 70 70 SER C C 70 177.054 176.082 0.972 1
1 812 . 18 1 1 A 70 70 SER CA C 70 62.085 61.669 0.416 1
1 813 . 18 1 1 A 70 70 SER CB C 70 62.976 62.830 0.146 1
1 814 . 18 1 1 A 70 70 SER N N 70 114.973 114.024 0.949 1
1 815 . 18 1 1 A 71 71 ASP H H 71 7.602 7.347 0.255 1
1 816 . 18 1 1 A 71 71 ASP HA H 71 4.012 4.070 -0.058 1
1 819 . 18 1 1 A 71 71 ASP C C 71 177.086 178.247 -1.161 1
1 820 . 18 1 1 A 71 71 ASP CA C 71 58.501 56.489 2.012 1
1 821 . 18 1 1 A 71 71 ASP CB C 71 42.006 39.544 2.462 1
1 822 . 18 1 1 A 71 71 ASP N N 71 123.211 121.565 1.646 1
1 823 . 18 1 1 A 72 72 ALA H H 72 8.406 7.782 0.624 1
1 824 . 18 1 1 A 72 72 ALA HA H 72 3.671 4.287 -0.616 1
1 828 . 18 1 1 A 72 72 ALA C C 72 179.377 179.864 -0.487 1
1 829 . 18 1 1 A 72 72 ALA CA C 72 55.717 55.111 0.606 1
1 830 . 18 1 1 A 72 72 ALA CB C 72 18.658 18.843 -0.185 1
1 831 . 18 1 1 A 72 72 ALA N N 72 119.793 122.066 -2.273 1
1 832 . 18 1 1 A 73 73 THR H H 73 7.631 8.081 -0.450 1
1 833 . 18 1 1 A 73 73 THR HA H 73 3.562 3.861 -0.299 1
1 838 . 18 1 1 A 73 73 THR C C 73 175.072 176.401 -1.329 1
1 839 . 18 1 1 A 73 73 THR CA C 73 68.525 66.719 1.806 1
1 840 . 18 1 1 A 73 73 THR CB C 73 69.564 68.560 1.004 1
1 842 . 18 1 1 A 73 73 THR N N 73 114.702 113.910 0.792 1
1 843 . 18 1 1 A 74 74 ARG H H 74 7.629 7.618 0.011 1
1 844 . 18 1 1 A 74 74 ARG HA H 74 3.795 3.951 -0.156 1
1 851 . 18 1 1 A 74 74 ARG C C 74 176.832 178.709 -1.877 1
1 852 . 18 1 1 A 74 74 ARG CA C 74 60.580 58.958 1.622 1
1 853 . 18 1 1 A 74 74 ARG CB C 74 30.409 29.492 0.917 1
1 856 . 18 1 1 A 74 74 ARG N N 74 122.528 120.512 2.016 1
1 857 . 18 1 1 A 75 75 VAL H H 75 8.008 8.193 -0.185 1
1 858 . 18 1 1 A 75 75 VAL HA H 75 3.439 3.560 -0.121 1
1 866 . 18 1 1 A 75 75 VAL C C 75 177.802 177.990 -0.188 1
1 867 . 18 1 1 A 75 75 VAL CA C 75 67.492 66.237 1.255 1
1 868 . 18 1 1 A 75 75 VAL CB C 75 32.220 31.550 0.670 1
1 871 . 18 1 1 A 75 75 VAL N N 75 120.044 119.519 0.525 1
1 872 . 18 1 1 A 76 76 ALA H H 76 8.092 7.589 0.503 1
1 873 . 18 1 1 A 76 76 ALA HA H 76 3.537 3.958 -0.421 1
1 877 . 18 1 1 A 76 76 ALA C C 76 180.078 179.427 0.651 1
1 878 . 18 1 1 A 76 76 ALA CA C 76 56.194 55.563 0.631 1
1 879 . 18 1 1 A 76 76 ALA CB C 76 18.882 18.355 0.527 1
1 880 . 18 1 1 A 76 76 ALA N N 76 120.726 121.871 -1.145 1
1 881 . 18 1 1 A 77 77 GLN H H 77 8.432 8.088 0.344 1
1 882 . 18 1 1 A 77 77 GLN HA H 77 4.428 4.019 0.409 1
1 885 . 18 1 1 A 77 77 GLN CA C 77 58.987 58.575 0.412 1
1 887 . 18 1 1 A 77 77 GLN N N 77 118.235 116.362 1.873 1
1 888 . 18 1 1 A 78 78 LYS H H 78 7.655 7.612 0.043 1
1 889 . 18 1 1 A 78 78 LYS HA H 78 3.874 3.954 -0.080 1
1 898 . 18 1 1 A 78 78 LYS C C 78 177.044 178.076 -1.032 1
1 899 . 18 1 1 A 78 78 LYS CA C 78 59.393 58.480 0.913 1
1 900 . 18 1 1 A 78 78 LYS CB C 78 32.583 31.962 0.621 1
1 904 . 18 1 1 A 78 78 LYS N N 78 121.797 119.201 2.596 1
1 905 . 18 1 1 A 79 79 HIS H H 79 6.888 7.374 -0.486 1
1 906 . 18 1 1 A 79 79 HIS HA H 79 4.501 4.473 0.028 1
1 909 . 18 1 1 A 79 79 HIS C C 79 174.191 174.897 -0.706 1
1 910 . 18 1 1 A 79 79 HIS CA C 79 56.166 56.134 0.032 1
1 911 . 18 1 1 A 79 79 HIS CB C 79 30.993 29.884 1.109 1
1 912 . 18 1 1 A 79 79 HIS N N 79 115.368 114.978 0.390 1
1 913 . 18 1 1 A 80 80 GLY H H 80 7.159 7.559 -0.400 1
1 914 . 18 1 1 A 80 80 GLY HA2 H 80 4.433 3.859 0.574 1
1 915 . 18 1 1 A 80 80 GLY HA3 H 80 3.541 3.918 -0.377 1
1 916 . 18 1 1 A 80 80 GLY C C 80 175.246 174.881 0.365 1
1 917 . 18 1 1 A 80 80 GLY CA C 80 45.823 46.478 -0.655 1
1 918 . 18 1 1 A 80 80 GLY N N 80 104.319 107.678 -3.359 1
1 919 . 18 1 1 A 81 81 LEU H H 81 7.962 7.861 0.101 1
1 920 . 18 1 1 A 81 81 LEU HA H 81 4.012 4.573 -0.561 1
1 930 . 18 1 1 A 81 81 LEU CA C 81 56.383 54.899 1.484 1
1 931 . 18 1 1 A 81 81 LEU CB C 81 43.506 44.113 -0.607 1
1 935 . 18 1 1 A 81 81 LEU N N 81 124.945 118.037 6.908 1
1 936 . 18 1 1 A 83 83 PRO HA H 83 4.248 4.640 -0.392 1
1 943 . 18 1 1 A 83 83 PRO CA C 83 65.606 63.283 2.323 1
1 944 . 18 1 1 A 83 83 PRO CB C 83 32.805 31.870 0.935 1
1 947 . 18 1 1 A 84 84 LYS HA H 84 4.132 4.018 0.114 1
1 956 . 18 1 1 A 84 84 LYS CA C 84 59.351 58.374 0.977 1
1 957 . 18 1 1 A 84 84 LYS CB C 84 33.109 31.691 1.418 1
1 961 . 18 1 1 A 85 85 PHE HA H 85 3.941 4.136 -0.195 1
1 964 . 18 1 1 A 85 85 PHE CA C 85 59.693 60.842 -1.149 1
1 965 . 18 1 1 A 85 85 PHE CB C 85 39.968 39.148 0.820 1
1 966 . 18 1 1 A 86 86 GLY HA2 H 86 3.721 3.843 -0.122 1
1 967 . 18 1 1 A 86 86 GLY HA3 H 86 3.659 3.928 -0.269 1
1 968 . 18 1 1 A 86 86 GLY CA C 86 44.471 46.330 -1.859 1
1 969 . 18 1 1 A 87 87 ALA HA H 87 4.274 4.480 -0.206 1
1 973 . 18 1 1 A 87 87 ALA CA C 87 53.390 50.720 2.670 1
1 974 . 18 1 1 A 87 87 ALA CB C 87 20.262 19.168 1.094 1
1 975 . 18 1 1 A 88 88 ILE HA H 88 4.015 4.420 -0.405 1
1 985 . 18 1 1 A 88 88 ILE CA C 88 63.697 60.948 2.749 1
1 986 . 18 1 1 A 88 88 ILE CB C 88 38.931 39.229 -0.298 1
1 990 . 18 1 1 A 89 89 THR HA H 89 4.224 3.962 0.262 1
1 994 . 18 1 1 A 89 89 THR CA C 89 63.088 65.527 -2.439 1
1 996 . 18 1 1 A 90 90 ARG HA H 90 4.105 3.942 0.163 1
1 1003 . 18 1 1 A 90 90 ARG CA C 90 58.412 57.917 0.495 1
1 1004 . 18 1 1 A 90 90 ARG CB C 90 30.907 29.878 1.029 1
1 1007 . 18 1 1 A 91 91 VAL HA H 91 4.047 4.162 -0.115 1
1 1015 . 18 1 1 A 91 91 VAL C C 91 175.627 175.568 0.059 1
1 1016 . 18 1 1 A 91 91 VAL CA C 91 62.923 61.791 1.132 1
1 1017 . 18 1 1 A 91 91 VAL CB C 91 32.060 33.161 -1.101 1
1 1020 . 18 1 1 A 92 92 HIS HA H 92 4.567 4.474 0.093 1
1 1023 . 18 1 1 A 92 92 HIS CA C 92 57.021 57.785 -0.764 1
1 1024 . 18 1 1 A 92 92 HIS CB C 92 31.579 30.596 0.983 1
1 1025 . 18 1 1 A 93 93 LYS H H 93 8.490 8.163 0.327 1
1 1026 . 18 1 1 A 93 93 LYS HA H 93 4.149 4.871 -0.722 1
1 1035 . 18 1 1 A 93 93 LYS CA C 93 58.472 54.517 3.955 1
1 1036 . 18 1 1 A 93 93 LYS CB C 93 32.632 35.532 -2.900 1
1 1040 . 18 1 1 A 93 93 LYS N N 93 123.001 127.592 -4.591 1
1 1041 . 18 1 1 A 94 94 GLU HA H 94 4.265 4.661 -0.396 1
1 1046 . 18 1 1 A 94 94 GLU CA C 94 57.682 56.328 1.354 1
1 1047 . 18 1 1 A 94 94 GLU CB C 94 30.952 29.729 1.223 1
1 1049 . 18 1 1 A 95 95 TYR HA H 95 4.205 4.359 -0.154 1
1 1056 . 18 1 1 A 95 95 TYR C C 95 176.555 177.507 -0.952 1
1 1057 . 18 1 1 A 95 95 TYR CA C 95 60.582 61.281 -0.699 1
1 1058 . 18 1 1 A 95 95 TYR CB C 95 39.000 38.919 0.081 1
1 1063 . 18 1 1 A 96 96 ASP H H 96 8.104 8.420 -0.316 1
1 1064 . 18 1 1 A 96 96 ASP HA H 96 4.252 4.237 0.015 1
1 1067 . 18 1 1 A 96 96 ASP CA C 96 58.583 57.589 0.994 1
1 1068 . 18 1 1 A 96 96 ASP CB C 96 41.058 41.519 -0.461 1
1 1069 . 18 1 1 A 96 96 ASP N N 96 120.068 119.771 0.297 1
1 1070 . 18 1 1 A 97 97 ALA HA H 97 3.964 4.114 -0.150 1
1 1074 . 18 1 1 A 97 97 ALA C C 97 179.912 179.089 0.823 1
1 1075 . 18 1 1 A 97 97 ALA CA C 97 55.582 55.262 0.320 1
1 1076 . 18 1 1 A 97 97 ALA CB C 97 18.849 18.389 0.460 1
1 1077 . 18 1 1 A 98 98 MET H H 98 7.422 8.191 -0.769 1
1 1078 . 18 1 1 A 98 98 MET HA H 98 3.847 4.052 -0.205 1
1 1083 . 18 1 1 A 98 98 MET C C 98 177.185 178.068 -0.883 1
1 1084 . 18 1 1 A 98 98 MET CA C 98 59.943 58.305 1.638 1
1 1085 . 18 1 1 A 98 98 MET CB C 98 32.583 31.806 0.777 1
1 1087 . 18 1 1 A 98 98 MET N N 98 120.651 118.824 1.827 1
1 1088 . 18 1 1 A 99 99 PHE H H 99 8.652 8.412 0.240 1
1 1089 . 18 1 1 A 99 99 PHE HA H 99 4.150 3.991 0.159 1
1 1097 . 18 1 1 A 99 99 PHE C C 99 177.911 178.061 -0.150 1
1 1098 . 18 1 1 A 99 99 PHE CA C 99 61.936 61.364 0.572 1
1 1099 . 18 1 1 A 99 99 PHE CB C 99 39.302 38.959 0.343 1
1 1105 . 18 1 1 A 99 99 PHE N N 99 119.857 120.670 -0.813 1
1 1106 . 18 1 1 A 100 100 GLU H H 100 8.232 8.441 -0.209 1
1 1107 . 18 1 1 A 100 100 GLU HA H 100 4.094 4.188 -0.094 1
1 1112 . 18 1 1 A 100 100 GLU CA C 100 59.579 59.925 -0.346 1
1 1113 . 18 1 1 A 100 100 GLU CB C 100 29.878 29.065 0.813 1
1 1115 . 18 1 1 A 100 100 GLU N N 100 117.666 118.185 -0.519 1
1 1116 . 18 1 1 A 101 101 ASP HA H 101 4.568 4.494 0.074 1
1 1119 . 18 1 1 A 101 101 ASP C C 101 177.667 178.574 -0.907 1
1 1120 . 18 1 1 A 101 101 ASP CA C 101 58.940 57.576 1.364 1
1 1121 . 18 1 1 A 101 101 ASP CB C 101 43.462 41.477 1.985 1
1 1122 . 18 1 1 A 102 102 ILE H H 102 8.370 8.057 0.313 1
1 1123 . 18 1 1 A 102 102 ILE HA H 102 3.319 3.537 -0.218 1
1 1133 . 18 1 1 A 102 102 ILE C C 102 177.347 178.389 -1.042 1
1 1134 . 18 1 1 A 102 102 ILE CA C 102 67.567 65.301 2.266 1
1 1135 . 18 1 1 A 102 102 ILE CB C 102 38.766 37.606 1.160 1
1 1139 . 18 1 1 A 102 102 ILE N N 102 118.449 119.477 -1.028 1
1 1140 . 18 1 1 A 103 103 ARG H H 103 8.450 8.406 0.044 1
1 1141 . 18 1 1 A 103 103 ARG HA H 103 3.834 4.219 -0.385 1
1 1148 . 18 1 1 A 103 103 ARG C C 103 178.760 178.428 0.332 1
1 1149 . 18 1 1 A 103 103 ARG CA C 103 61.318 58.618 2.700 1
1 1150 . 18 1 1 A 103 103 ARG CB C 103 30.978 29.984 0.994 1
1 1153 . 18 1 1 A 103 103 ARG N N 103 118.941 120.581 -1.640 1
1 1154 . 18 1 1 A 104 104 ALA H H 104 8.289 8.086 0.203 1
1 1155 . 18 1 1 A 104 104 ALA HA H 104 4.072 4.137 -0.065 1
1 1159 . 18 1 1 A 104 104 ALA C C 104 181.340 179.554 1.786 1
1 1160 . 18 1 1 A 104 104 ALA CA C 104 56.021 55.518 0.503 1
1 1161 . 18 1 1 A 104 104 ALA CB C 104 18.962 18.684 0.278 1
1 1162 . 18 1 1 A 104 104 ALA N N 104 121.028 122.881 -1.853 1
1 1163 . 18 1 1 A 105 105 LYS H H 105 8.231 8.245 -0.014 1
1 1164 . 18 1 1 A 105 105 LYS HA H 105 4.013 4.012 0.001 1
1 1173 . 18 1 1 A 105 105 LYS C C 105 179.414 179.366 0.048 1
1 1174 . 18 1 1 A 105 105 LYS CA C 105 60.025 59.384 0.641 1
1 1175 . 18 1 1 A 105 105 LYS CB C 105 34.341 32.724 1.617 1
1 1179 . 18 1 1 A 105 105 LYS N N 105 118.789 117.668 1.121 1
1 1180 . 18 1 1 A 106 106 LEU H H 106 8.289 8.162 0.127 1
1 1181 . 18 1 1 A 106 106 LEU HA H 106 4.043 4.053 -0.010 1
1 1191 . 18 1 1 A 106 106 LEU C C 106 178.091 178.698 -0.607 1
1 1192 . 18 1 1 A 106 106 LEU CA C 106 57.469 57.157 0.312 1
1 1193 . 18 1 1 A 106 106 LEU CB C 106 43.248 41.334 1.914 1
1 1197 . 18 1 1 A 106 106 LEU N N 106 119.086 119.415 -0.329 1
1 1198 . 18 1 1 A 107 107 HIS H H 107 7.861 7.968 -0.107 1
1 1199 . 18 1 1 A 107 107 HIS HA H 107 4.428 4.250 0.178 1
1 1203 . 18 1 1 A 107 107 HIS C C 107 175.263 174.536 0.727 1
1 1204 . 18 1 1 A 107 107 HIS CA C 107 58.218 58.670 -0.452 1
1 1205 . 18 1 1 A 107 107 HIS CB C 107 30.819 30.325 0.494 1
1 1207 . 18 1 1 A 107 107 HIS N N 107 118.172 119.001 -0.829 1
1 1208 . 18 1 1 A 108 108 ALA H H 108 7.505 7.534 -0.029 1
1 1209 . 18 1 1 A 108 108 ALA HA H 108 4.218 3.864 0.354 1
1 1213 . 18 1 1 A 108 108 ALA C C 108 179.374 176.095 3.279 1
1 1214 . 18 1 1 A 108 108 ALA CA C 108 53.303 52.579 0.724 1
1 1215 . 18 1 1 A 108 108 ALA CB C 108 20.005 17.811 2.194 1
1 1216 . 18 1 1 A 108 108 ALA N N 108 121.363 120.615 0.748 1
1 1217 . 18 1 1 A 109 109 HIS H H 109 7.987 8.376 -0.389 1
1 1218 . 18 1 1 A 109 109 HIS HA H 109 4.770 4.981 -0.211 1
1 1221 . 18 1 1 A 109 109 HIS CA C 109 55.217 54.094 1.123 1
1 1222 . 18 1 1 A 109 109 HIS CB C 109 31.250 31.657 -0.407 1
1 1223 . 18 1 1 A 109 109 HIS N N 109 120.133 117.644 2.489 1
1 1224 . 18 1 1 A 110 110 PRO HA H 110 4.368 4.360 0.008 1
1 1231 . 18 1 1 A 110 110 PRO C C 110 177.350 177.459 -0.109 1
1 1232 . 18 1 1 A 110 110 PRO CA C 110 64.430 63.099 1.331 1
1 1233 . 18 1 1 A 110 110 PRO CB C 110 32.912 29.812 3.100 1
1 1236 . 18 1 1 A 111 111 GLY H H 111 8.492 8.763 -0.271 1
1 1237 . 18 1 1 A 111 111 GLY HA2 H 111 3.925 3.889 0.036 1
1 1238 . 18 1 1 A 111 111 GLY HA3 H 111 3.925 3.891 0.034 1
1 1239 . 18 1 1 A 111 111 GLY C C 111 173.681 174.536 -0.855 1
1 1240 . 18 1 1 A 111 111 GLY CA C 111 45.831 47.044 -1.213 1
1 1241 . 18 1 1 A 111 111 GLY N N 111 109.622 112.814 -3.192 1
1 1242 . 18 1 1 A 112 112 GLU H H 112 8.139 7.861 0.278 1
1 1243 . 18 1 1 A 112 112 GLU HA H 112 4.573 4.667 -0.094 1
1 1248 . 18 1 1 A 112 112 GLU CA C 112 55.099 54.258 0.841 1
1 1249 . 18 1 1 A 112 112 GLU CB C 112 30.664 29.668 0.996 1
1 1251 . 18 1 1 A 112 112 GLU N N 112 121.771 121.623 0.148 1
1 1252 . 18 1 1 A 113 113 PRO HA H 113 4.411 4.572 -0.161 1
1 1259 . 18 1 1 A 113 113 PRO C C 113 176.943 176.131 0.812 1
1 1260 . 18 1 1 A 113 113 PRO CA C 113 63.990 62.602 1.388 1
1 1261 . 18 1 1 A 113 113 PRO CB C 113 32.817 32.304 0.513 1
1 1264 . 18 1 1 A 114 114 VAL H H 114 8.226 8.181 0.045 1
1 1265 . 18 1 1 A 114 114 VAL HA H 114 4.036 3.931 0.105 1
1 1273 . 18 1 1 A 114 114 VAL C C 114 175.708 176.837 -1.129 1
1 1274 . 18 1 1 A 114 114 VAL CA C 114 63.021 62.154 0.867 1
1 1275 . 18 1 1 A 114 114 VAL CB C 114 33.996 32.016 1.980 1
1 1278 . 18 1 1 A 114 114 VAL N N 114 120.138 121.458 -1.320 1
1 1279 . 18 1 1 A 115 115 ASP H H 115 8.313 8.900 -0.587 1
1 1280 . 18 1 1 A 115 115 ASP HA H 115 4.587 4.835 -0.248 1
1 1283 . 18 1 1 A 115 115 ASP C C 115 176.361 177.008 -0.647 1
1 1284 . 18 1 1 A 115 115 ASP CA C 115 54.760 53.701 1.059 1
1 1285 . 18 1 1 A 115 115 ASP CB C 115 41.888 40.996 0.892 1
1 1286 . 18 1 1 A 115 115 ASP N N 115 123.840 129.532 -5.692 1
1 1287 . 18 1 1 A 116 116 LEU H H 116 8.202 8.132 0.070 1
1 1288 . 18 1 1 A 116 116 LEU HA H 116 4.168 3.893 0.275 1
1 1298 . 18 1 1 A 116 116 LEU C C 116 177.811 177.635 0.176 1
1 1299 . 18 1 1 A 116 116 LEU CA C 116 56.696 57.766 -1.070 1
1 1300 . 18 1 1 A 116 116 LEU CB C 116 43.084 41.299 1.785 1
1 1304 . 18 1 1 A 116 116 LEU N N 116 123.362 119.681 3.681 1
1 1305 . 18 1 1 A 117 117 GLU H H 117 8.311 8.452 -0.141 1
1 1306 . 18 1 1 A 117 117 GLU HA H 117 4.141 4.250 -0.109 1
1 1311 . 18 1 1 A 117 117 GLU C C 117 176.687 177.906 -1.219 1
1 1312 . 18 1 1 A 117 117 GLU CA C 117 57.937 56.737 1.200 1
1 1313 . 18 1 1 A 117 117 GLU CB C 117 30.685 29.504 1.181 1
1 1315 . 18 1 1 A 117 117 GLU N N 117 119.881 119.012 0.869 1
1 1316 . 18 1 1 A 118 118 ARG H H 118 7.930 7.571 0.359 1
1 1317 . 18 1 1 A 118 118 ARG HA H 118 4.223 4.141 0.082 1
1 1324 . 18 1 1 A 118 118 ARG C C 118 176.125 178.762 -2.637 1
1 1325 . 18 1 1 A 118 118 ARG CA C 118 57.133 58.234 -1.101 1
1 1326 . 18 1 1 A 118 118 ARG CB C 118 31.445 29.963 1.482 1
1 1329 . 18 1 1 A 118 118 ARG N N 118 120.580 120.725 -0.145 1
1 1330 . 18 1 1 A 119 119 ILE H H 119 7.926 7.611 0.315 1
1 1331 . 18 1 1 A 119 119 ILE HA H 119 4.041 4.015 0.026 1
1 1341 . 18 1 1 A 119 119 ILE C C 119 176.166 175.937 0.229 1
1 1342 . 18 1 1 A 119 119 ILE CA C 119 62.131 64.924 -2.793 1
1 1343 . 18 1 1 A 119 119 ILE CB C 119 39.327 38.619 0.708 1
1 1347 . 18 1 1 A 119 119 ILE N N 119 121.721 118.423 3.298 1
1 1348 . 18 1 1 A 120 120 ILE H H 120 8.152 7.984 0.168 1
1 1349 . 18 1 1 A 120 120 ILE HA H 120 4.038 4.353 -0.315 1
1 1359 . 18 1 1 A 120 120 ILE C C 120 175.922 174.827 1.095 1
1 1360 . 18 1 1 A 120 120 ILE CA C 120 61.812 60.900 0.912 1
1 1361 . 18 1 1 A 120 120 ILE CB C 120 39.091 37.827 1.264 1
1 1365 . 18 1 1 A 120 120 ILE N N 120 125.274 120.763 4.511 1
1 1366 . 18 1 1 A 121 121 ARG H H 121 8.266 8.857 -0.591 1
1 1367 . 18 1 1 A 121 121 ARG HA H 121 4.293 4.903 -0.610 1
1 1374 . 18 1 1 A 121 121 ARG CA C 121 56.489 54.290 2.199 1
1 1375 . 18 1 1 A 121 121 ARG CB C 121 31.785 33.793 -2.008 1
1 1378 . 18 1 1 A 121 121 ARG N N 121 125.412 126.987 -1.575 1
1 1379 . 18 1 1 A 122 122 HIS HA H 122 5.066 5.108 -0.042 1
1 1383 . 18 1 1 A 122 122 HIS C C 122 175.210 176.124 -0.914 1
1 1384 . 18 1 1 A 122 122 HIS CA C 122 56.554 54.672 1.882 1
1 1385 . 18 1 1 A 122 122 HIS CB C 122 32.905 32.504 0.401 1
1 1387 . 18 1 1 A 123 123 GLU H H 123 8.936 8.656 0.280 1
1 1388 . 18 1 1 A 123 123 GLU N N 123 121.008 123.384 -2.376 1
1 1389 . 18 1 1 A 124 124 GLY HA2 H 124 3.984 3.871 0.113 1
1 1390 . 18 1 1 A 124 124 GLY HA3 H 124 3.913 3.923 -0.010 1
1 1391 . 18 1 1 A 124 124 GLY C C 124 173.408 172.767 0.641 1
1 1392 . 18 1 1 A 124 124 GLY CA C 124 46.124 44.753 1.371 1
1 10 . 19 1 1 A 2 2 GLY H H 2 8.402 8.561 -0.159 1
1 11 . 19 1 1 A 2 2 GLY HA2 H 2 3.903 3.873 0.030 1
1 12 . 19 1 1 A 2 2 GLY HA3 H 2 3.903 4.074 -0.171 1
1 13 . 19 1 1 A 2 2 GLY C C 2 172.919 173.559 -0.640 1
1 14 . 19 1 1 A 2 2 GLY CA C 2 45.814 47.390 -1.576 1
1 15 . 19 1 1 A 2 2 GLY N N 2 110.769 114.940 -4.171 1
1 16 . 19 1 1 A 3 3 HIS H H 3 8.198 7.388 0.810 1
1 17 . 19 1 1 A 3 3 HIS N N 3 120.514 118.180 2.334 1
1 18 . 19 1 1 A 4 4 MET HA H 4 4.688 4.990 -0.302 1
1 26 . 19 1 1 A 4 4 MET CA C 4 56.462 55.238 1.224 1
1 27 . 19 1 1 A 4 4 MET CB C 4 35.293 35.633 -0.340 1
1 30 . 19 1 1 A 5 5 PHE H H 5 8.690 9.324 -0.634 1
1 31 . 19 1 1 A 5 5 PHE HA H 5 5.254 5.284 -0.030 1
1 39 . 19 1 1 A 5 5 PHE C C 5 173.490 174.299 -0.809 1
1 40 . 19 1 1 A 5 5 PHE CA C 5 58.548 56.997 1.551 1
1 41 . 19 1 1 A 5 5 PHE CB C 5 43.312 42.701 0.611 1
1 47 . 19 1 1 A 5 5 PHE N N 5 123.462 128.375 -4.913 1
1 48 . 19 1 1 A 6 6 GLU H H 6 7.963 8.684 -0.721 1
1 49 . 19 1 1 A 6 6 GLU HA H 6 4.182 4.678 -0.496 1
1 54 . 19 1 1 A 6 6 GLU CA C 6 53.572 53.236 0.336 1
1 55 . 19 1 1 A 6 6 GLU CB C 6 31.259 32.763 -1.504 1
1 57 . 19 1 1 A 6 6 GLU N N 6 127.826 124.264 3.562 1
1 58 . 19 1 1 A 7 7 PRO HA H 7 3.783 4.176 -0.393 1
1 65 . 19 1 1 A 7 7 PRO C C 7 177.433 177.273 0.160 1
1 66 . 19 1 1 A 7 7 PRO CA C 7 66.503 63.534 2.969 1
1 67 . 19 1 1 A 7 7 PRO CB C 7 31.785 31.227 0.558 1
1 70 . 19 1 1 A 8 8 GLY H H 8 7.537 8.428 -0.891 1
1 71 . 19 1 1 A 8 8 GLY HA2 H 8 3.896 3.222 0.674 1
1 72 . 19 1 1 A 8 8 GLY HA3 H 8 2.085 3.671 -1.586 1
1 73 . 19 1 1 A 8 8 GLY C C 8 174.730 172.896 1.834 1
1 74 . 19 1 1 A 8 8 GLY CA C 8 46.895 44.785 2.110 1
1 75 . 19 1 1 A 8 8 GLY N N 8 111.178 112.556 -1.378 1
1 76 . 19 1 1 A 9 9 HIS H H 9 9.112 7.411 1.701 1
1 77 . 19 1 1 A 9 9 HIS HA H 9 5.699 5.050 0.649 1
1 81 . 19 1 1 A 9 9 HIS C C 9 170.886 172.691 -1.805 1
1 82 . 19 1 1 A 9 9 HIS CA C 9 55.252 56.046 -0.794 1
1 83 . 19 1 1 A 9 9 HIS CB C 9 32.029 32.755 -0.726 1
1 85 . 19 1 1 A 9 9 HIS N N 9 122.719 118.858 3.861 1
1 86 . 19 1 1 A 10 10 LEU H H 10 9.637 8.553 1.084 1
1 87 . 19 1 1 A 10 10 LEU HA H 10 5.198 5.103 0.095 1
1 97 . 19 1 1 A 10 10 LEU C C 10 173.565 173.666 -0.101 1
1 98 . 19 1 1 A 10 10 LEU CA C 10 54.377 53.470 0.907 1
1 99 . 19 1 1 A 10 10 LEU CB C 10 46.916 46.890 0.026 1
1 103 . 19 1 1 A 10 10 LEU N N 10 130.516 126.322 4.194 1
1 104 . 19 1 1 A 11 11 HIS H H 11 9.237 8.930 0.307 1
1 105 . 19 1 1 A 11 11 HIS HA H 11 5.478 5.505 -0.027 1
1 109 . 19 1 1 A 11 11 HIS C C 11 173.559 173.236 0.323 1
1 110 . 19 1 1 A 11 11 HIS CA C 11 53.302 54.177 -0.875 1
1 111 . 19 1 1 A 11 11 HIS CB C 11 34.638 33.220 1.418 1
1 113 . 19 1 1 A 11 11 HIS N N 11 128.715 125.670 3.045 1
1 114 . 19 1 1 A 12 12 LEU H H 12 9.370 9.251 0.119 1
1 115 . 19 1 1 A 12 12 LEU HA H 12 4.863 5.268 -0.405 1
1 125 . 19 1 1 A 12 12 LEU CA C 12 54.243 53.719 0.524 1
1 126 . 19 1 1 A 12 12 LEU CB C 12 45.047 45.026 0.021 1
1 130 . 19 1 1 A 12 12 LEU N N 12 127.423 126.641 0.782 1
1 131 . 19 1 1 A 13 13 VAL HA H 13 4.847 4.940 -0.093 1
1 139 . 19 1 1 A 13 13 VAL CA C 13 60.665 60.858 -0.193 1
1 140 . 19 1 1 A 13 13 VAL CB C 13 35.978 32.885 3.093 1
1 143 . 19 1 1 A 14 14 SER H H 14 8.220 9.024 -0.804 1
1 144 . 19 1 1 A 14 14 SER HA H 14 4.563 4.674 -0.111 1
1 147 . 19 1 1 A 14 14 SER CA C 14 58.588 57.660 0.928 1
1 148 . 19 1 1 A 14 14 SER CB C 14 65.442 63.311 2.131 1
1 149 . 19 1 1 A 14 14 SER N N 14 118.092 126.193 -8.101 1
1 150 . 19 1 1 A 15 15 LEU H H 15 8.965 8.499 0.466 1
1 151 . 19 1 1 A 15 15 LEU HA H 15 4.725 4.729 -0.004 1
1 161 . 19 1 1 A 15 15 LEU CA C 15 53.203 53.020 0.183 1
1 162 . 19 1 1 A 15 15 LEU CB C 15 42.658 41.929 0.729 1
1 166 . 19 1 1 A 15 15 LEU N N 15 124.969 125.866 -0.897 1
1 167 . 19 1 1 A 16 16 PRO HA H 16 4.326 4.366 -0.040 1
1 174 . 19 1 1 A 16 16 PRO C C 16 177.551 177.187 0.364 1
1 175 . 19 1 1 A 16 16 PRO CA C 16 64.262 65.204 -0.942 1
1 176 . 19 1 1 A 16 16 PRO CB C 16 32.855 31.559 1.296 1
1 179 . 19 1 1 A 17 17 GLY H H 17 8.597 8.183 0.414 1
1 180 . 19 1 1 A 17 17 GLY HA2 H 17 4.091 3.913 0.178 1
1 181 . 19 1 1 A 17 17 GLY HA3 H 17 3.773 3.917 -0.144 1
1 182 . 19 1 1 A 17 17 GLY C C 17 173.908 175.135 -1.227 1
1 183 . 19 1 1 A 17 17 GLY CA C 17 46.155 47.064 -0.909 1
1 184 . 19 1 1 A 17 17 GLY N N 17 110.651 108.844 1.807 1
1 185 . 19 1 1 A 18 18 LEU H H 18 7.998 8.586 -0.588 1
1 186 . 19 1 1 A 18 18 LEU HA H 18 4.318 4.322 -0.004 1
1 192 . 19 1 1 A 18 18 LEU CA C 18 56.800 56.682 0.118 1
1 193 . 19 1 1 A 18 18 LEU CB C 18 43.502 42.298 1.204 1
1 195 . 19 1 1 A 18 18 LEU N N 18 122.006 127.150 -5.144 1
1 196 . 19 1 1 A 19 19 ASP HA H 19 4.330 4.630 -0.300 1
1 199 . 19 1 1 A 19 19 ASP CA C 19 56.800 54.064 2.736 1
1 200 . 19 1 1 A 19 19 ASP CB C 19 43.498 42.068 1.430 1
1 201 . 19 1 1 A 20 20 GLN HA H 20 4.248 4.489 -0.241 1
1 208 . 19 1 1 A 20 20 GLN CA C 20 56.991 56.651 0.340 1
1 209 . 19 1 1 A 20 20 GLN CB C 20 31.005 30.142 0.863 1
1 212 . 19 1 1 A 21 21 GLN H H 21 7.823 7.537 0.286 1
1 213 . 19 1 1 A 21 21 GLN HA H 21 4.478 4.405 0.073 1
1 220 . 19 1 1 A 21 21 GLN C C 21 174.199 174.353 -0.154 1
1 221 . 19 1 1 A 21 21 GLN CA C 21 56.424 55.384 1.040 1
1 222 . 19 1 1 A 21 21 GLN CB C 21 33.930 28.973 4.957 1
1 224 . 19 1 1 A 21 21 GLN N N 21 118.190 119.227 -1.037 1
1 226 . 19 1 1 A 22 22 ASP H H 22 8.549 8.930 -0.381 1
1 227 . 19 1 1 A 22 22 ASP HA H 22 4.708 5.202 -0.494 1
1 230 . 19 1 1 A 22 22 ASP C C 22 175.399 175.022 0.377 1
1 231 . 19 1 1 A 22 22 ASP CA C 22 54.415 53.182 1.233 1
1 232 . 19 1 1 A 22 22 ASP CB C 22 42.744 42.347 0.397 1
1 233 . 19 1 1 A 22 22 ASP N N 22 122.563 127.471 -4.908 1
1 234 . 19 1 1 A 23 23 ILE H H 23 8.681 8.788 -0.107 1
1 235 . 19 1 1 A 23 23 ILE HA H 23 4.726 5.113 -0.387 1
1 245 . 19 1 1 A 23 23 ILE C C 23 174.896 174.682 0.214 1
1 246 . 19 1 1 A 23 23 ILE CA C 23 60.384 59.286 1.098 1
1 247 . 19 1 1 A 23 23 ILE CB C 23 42.843 40.651 2.192 1
1 251 . 19 1 1 A 23 23 ILE N N 23 121.642 121.642 0.000 1
1 252 . 19 1 1 A 24 24 ASN H H 24 8.224 9.015 -0.791 1
1 253 . 19 1 1 A 24 24 ASN HA H 24 5.252 5.941 -0.689 1
1 258 . 19 1 1 A 24 24 ASN C C 24 174.672 174.334 0.338 1
1 259 . 19 1 1 A 24 24 ASN CA C 24 54.262 52.023 2.239 1
1 260 . 19 1 1 A 24 24 ASN CB C 24 40.495 41.968 -1.473 1
1 261 . 19 1 1 A 24 24 ASN N N 24 124.418 122.237 2.181 1
1 263 . 19 1 1 A 25 25 ILE H H 25 9.453 9.061 0.392 1
1 264 . 19 1 1 A 25 25 ILE HA H 25 4.896 4.757 0.139 1
1 274 . 19 1 1 A 25 25 ILE C C 25 173.645 175.046 -1.401 1
1 275 . 19 1 1 A 25 25 ILE CA C 25 61.580 59.836 1.744 1
1 276 . 19 1 1 A 25 25 ILE CB C 25 44.146 42.459 1.687 1
1 280 . 19 1 1 A 25 25 ILE N N 25 122.056 123.849 -1.793 1
1 281 . 19 1 1 A 26 26 HIS H H 26 9.716 8.592 1.124 1
1 282 . 19 1 1 A 26 26 HIS HA H 26 5.404 5.339 0.065 1
1 286 . 19 1 1 A 26 26 HIS C C 26 175.078 174.856 0.222 1
1 287 . 19 1 1 A 26 26 HIS CA C 26 55.881 53.938 1.943 1
1 288 . 19 1 1 A 26 26 HIS CB C 26 32.829 34.134 -1.305 1
1 290 . 19 1 1 A 26 26 HIS N N 26 126.720 122.529 4.191 1
1 291 . 19 1 1 A 27 27 ILE H H 27 9.935 9.111 0.824 1
1 292 . 19 1 1 A 27 27 ILE HA H 27 5.096 4.779 0.317 1
1 302 . 19 1 1 A 27 27 ILE C C 27 174.860 174.332 0.528 1
1 303 . 19 1 1 A 27 27 ILE CA C 27 61.915 60.868 1.047 1
1 304 . 19 1 1 A 27 27 ILE CB C 27 40.667 40.064 0.603 1
1 308 . 19 1 1 A 27 27 ILE N N 27 123.352 121.366 1.986 1
1 309 . 19 1 1 A 28 28 ARG H H 28 9.315 9.407 -0.092 1
1 310 . 19 1 1 A 28 28 ARG HA H 28 5.621 5.186 0.435 1
1 317 . 19 1 1 A 28 28 ARG C C 28 175.573 175.317 0.256 1
1 318 . 19 1 1 A 28 28 ARG CA C 28 54.904 54.885 0.019 1
1 319 . 19 1 1 A 28 28 ARG CB C 28 33.782 31.681 2.101 1
1 322 . 19 1 1 A 28 28 ARG N N 28 127.731 130.194 -2.463 1
1 323 . 19 1 1 A 29 29 TYR H H 29 7.656 8.637 -0.981 1
1 324 . 19 1 1 A 29 29 TYR HA H 29 5.831 5.551 0.280 1
1 331 . 19 1 1 A 29 29 TYR C C 29 173.770 174.147 -0.377 1
1 332 . 19 1 1 A 29 29 TYR CA C 29 55.377 55.583 -0.206 1
1 333 . 19 1 1 A 29 29 TYR CB C 29 43.035 41.791 1.244 1
1 338 . 19 1 1 A 29 29 TYR N N 29 117.229 122.348 -5.119 1
1 339 . 19 1 1 A 30 30 GLU H H 30 8.323 8.480 -0.157 1
1 340 . 19 1 1 A 30 30 GLU HA H 30 4.381 4.772 -0.391 1
1 345 . 19 1 1 A 30 30 GLU C C 30 173.976 175.248 -1.272 1
1 346 . 19 1 1 A 30 30 GLU CA C 30 55.235 55.084 0.151 1
1 347 . 19 1 1 A 30 30 GLU CB C 30 34.494 31.890 2.604 1
1 349 . 19 1 1 A 30 30 GLU N N 30 117.003 123.152 -6.149 1
1 350 . 19 1 1 A 31 31 VAL H H 31 8.957 8.598 0.359 1
1 351 . 19 1 1 A 31 31 VAL HA H 31 4.262 4.263 -0.001 1
1 359 . 19 1 1 A 31 31 VAL C C 31 175.045 175.058 -0.013 1
1 360 . 19 1 1 A 31 31 VAL CA C 31 63.418 62.048 1.370 1
1 361 . 19 1 1 A 31 31 VAL CB C 31 32.211 31.194 1.017 1
1 364 . 19 1 1 A 31 31 VAL N N 31 125.299 125.729 -0.430 1
1 365 . 19 1 1 A 32 32 ARG H H 32 8.550 8.551 -0.001 1
1 366 . 19 1 1 A 32 32 ARG HA H 32 4.408 4.961 -0.553 1
1 373 . 19 1 1 A 32 32 ARG C C 32 173.222 174.361 -1.139 1
1 374 . 19 1 1 A 32 32 ARG CA C 32 55.048 53.571 1.477 1
1 375 . 19 1 1 A 32 32 ARG CB C 32 34.646 33.691 0.955 1
1 378 . 19 1 1 A 32 32 ARG N N 32 128.345 128.839 -0.494 1
1 379 . 19 1 1 A 33 33 GLN H H 33 8.148 8.631 -0.483 1
1 380 . 19 1 1 A 33 33 GLN HA H 33 4.697 5.273 -0.576 1
1 387 . 19 1 1 A 33 33 GLN C C 33 175.419 175.294 0.125 1
1 388 . 19 1 1 A 33 33 GLN CA C 33 55.943 54.657 1.286 1
1 389 . 19 1 1 A 33 33 GLN CB C 33 31.679 30.413 1.266 1
1 391 . 19 1 1 A 33 33 GLN N N 33 116.088 122.907 -6.819 1
1 393 . 19 1 1 A 34 34 ASN H H 34 8.323 8.932 -0.609 1
1 394 . 19 1 1 A 34 34 ASN HA H 34 4.825 5.163 -0.338 1
1 399 . 19 1 1 A 34 34 ASN CA C 34 53.468 52.353 1.115 1
1 400 . 19 1 1 A 34 34 ASN CB C 34 41.559 39.876 1.683 1
1 401 . 19 1 1 A 34 34 ASN N N 34 121.088 124.445 -3.357 1
1 403 . 19 1 1 A 35 35 ALA HA H 35 4.099 4.033 0.066 1
1 407 . 19 1 1 A 35 35 ALA C C 35 178.472 179.310 -0.838 1
1 408 . 19 1 1 A 35 35 ALA CA C 35 55.591 54.585 1.006 1
1 409 . 19 1 1 A 35 35 ALA CB C 35 19.600 18.436 1.164 1
1 410 . 19 1 1 A 36 36 GLU H H 36 8.362 8.130 0.232 1
1 411 . 19 1 1 A 36 36 GLU HA H 36 4.263 4.021 0.242 1
1 416 . 19 1 1 A 36 36 GLU C C 36 177.727 178.017 -0.290 1
1 417 . 19 1 1 A 36 36 GLU CA C 36 59.010 59.051 -0.041 1
1 418 . 19 1 1 A 36 36 GLU CB C 36 31.059 29.741 1.318 1
1 420 . 19 1 1 A 36 36 GLU N N 36 116.669 119.732 -3.063 1
1 421 . 19 1 1 A 37 37 SER H H 37 8.338 8.064 0.274 1
1 422 . 19 1 1 A 37 37 SER HA H 37 4.515 4.639 -0.124 1
1 425 . 19 1 1 A 37 37 SER C C 37 175.134 174.569 0.565 1
1 426 . 19 1 1 A 37 37 SER CA C 37 59.568 58.392 1.176 1
1 427 . 19 1 1 A 37 37 SER CB C 37 65.114 64.815 0.299 1
1 428 . 19 1 1 A 37 37 SER N N 37 111.971 112.800 -0.829 1
1 429 . 19 1 1 A 38 38 GLY H H 38 8.098 7.977 0.121 1
1 430 . 19 1 1 A 38 38 GLY HA2 H 38 4.294 4.028 0.266 1
1 431 . 19 1 1 A 38 38 GLY HA3 H 38 3.975 4.029 -0.054 1
1 432 . 19 1 1 A 38 38 GLY C C 38 173.759 173.864 -0.105 1
1 433 . 19 1 1 A 38 38 GLY CA C 38 45.904 45.264 0.640 1
1 434 . 19 1 1 A 38 38 GLY N N 38 111.508 109.343 2.165 1
1 435 . 19 1 1 A 39 39 ALA H H 39 8.450 8.104 0.346 1
1 436 . 19 1 1 A 39 39 ALA HA H 39 4.902 4.581 0.321 1
1 440 . 19 1 1 A 39 39 ALA C C 39 177.193 177.140 0.053 1
1 441 . 19 1 1 A 39 39 ALA CA C 39 52.880 52.219 0.661 1
1 442 . 19 1 1 A 39 39 ALA CB C 39 20.714 19.392 1.322 1
1 443 . 19 1 1 A 39 39 ALA N N 39 124.210 126.129 -1.919 1
1 444 . 19 1 1 A 40 40 TYR H H 40 8.854 8.555 0.299 1
1 445 . 19 1 1 A 40 40 TYR HA H 40 4.796 5.346 -0.550 1
1 452 . 19 1 1 A 40 40 TYR C C 40 171.595 172.619 -1.024 1
1 453 . 19 1 1 A 40 40 TYR CA C 40 56.552 55.846 0.706 1
1 454 . 19 1 1 A 40 40 TYR CB C 40 41.319 40.799 0.520 1
1 459 . 19 1 1 A 40 40 TYR N N 40 118.580 117.132 1.448 1
1 460 . 19 1 1 A 41 41 VAL H H 41 9.275 8.516 0.759 1
1 461 . 19 1 1 A 41 41 VAL HA H 41 4.430 4.505 -0.075 1
1 469 . 19 1 1 A 41 41 VAL C C 41 174.098 173.663 0.435 1
1 470 . 19 1 1 A 41 41 VAL CA C 41 61.566 60.850 0.716 1
1 471 . 19 1 1 A 41 41 VAL CB C 41 33.852 34.213 -0.361 1
1 474 . 19 1 1 A 41 41 VAL N N 41 118.445 119.188 -0.743 1
1 475 . 19 1 1 A 42 42 HIS H H 42 8.789 8.695 0.094 1
1 476 . 19 1 1 A 42 42 HIS HA H 42 4.814 4.861 -0.047 1
1 480 . 19 1 1 A 42 42 HIS C C 42 172.353 173.199 -0.846 1
1 481 . 19 1 1 A 42 42 HIS CA C 42 56.537 55.636 0.901 1
1 482 . 19 1 1 A 42 42 HIS CB C 42 31.587 31.142 0.445 1
1 484 . 19 1 1 A 42 42 HIS N N 42 125.741 127.106 -1.365 1
1 485 . 19 1 1 A 43 43 PHE H H 43 8.604 8.838 -0.234 1
1 486 . 19 1 1 A 43 43 PHE HA H 43 4.933 5.249 -0.316 1
1 494 . 19 1 1 A 43 43 PHE C C 43 174.119 174.387 -0.268 1
1 495 . 19 1 1 A 43 43 PHE CA C 43 56.591 56.146 0.445 1
1 496 . 19 1 1 A 43 43 PHE CB C 43 41.053 40.957 0.096 1
1 502 . 19 1 1 A 43 43 PHE N N 43 125.631 126.079 -0.448 1
1 503 . 19 1 1 A 44 44 ASP H H 44 9.322 8.662 0.660 1
1 504 . 19 1 1 A 44 44 ASP HA H 44 5.187 5.566 -0.379 1
1 507 . 19 1 1 A 44 44 ASP C C 44 175.076 174.953 0.123 1
1 508 . 19 1 1 A 44 44 ASP CA C 44 55.145 53.202 1.943 1
1 509 . 19 1 1 A 44 44 ASP CB C 44 45.197 43.852 1.345 1
1 510 . 19 1 1 A 44 44 ASP N N 44 121.184 122.251 -1.067 1
1 511 . 19 1 1 A 45 45 MET H H 45 9.110 9.230 -0.120 1
1 512 . 19 1 1 A 45 45 MET HA H 45 5.765 5.795 -0.030 1
1 520 . 19 1 1 A 45 45 MET C C 45 173.254 174.685 -1.431 1
1 521 . 19 1 1 A 45 45 MET CA C 45 54.810 54.295 0.515 1
1 522 . 19 1 1 A 45 45 MET CB C 45 38.632 35.659 2.973 1
1 525 . 19 1 1 A 45 45 MET N N 45 121.976 122.829 -0.853 1
1 526 . 19 1 1 A 46 46 ASP H H 46 8.763 8.551 0.212 1
1 527 . 19 1 1 A 46 46 ASP HA H 46 4.373 4.787 -0.414 1
1 530 . 19 1 1 A 46 46 ASP C C 46 173.396 173.901 -0.505 1
1 531 . 19 1 1 A 46 46 ASP CA C 46 53.810 52.340 1.470 1
1 532 . 19 1 1 A 46 46 ASP CB C 46 44.722 43.917 0.805 1
1 533 . 19 1 1 A 46 46 ASP N N 46 121.797 122.318 -0.521 1
1 534 . 19 1 1 A 47 47 GLY H H 47 7.154 6.964 0.190 1
1 535 . 19 1 1 A 47 47 GLY HA2 H 47 5.075 3.682 1.393 1
1 536 . 19 1 1 A 47 47 GLY HA3 H 47 3.927 3.697 0.230 1
1 537 . 19 1 1 A 47 47 GLY C C 47 172.328 171.671 0.657 1
1 538 . 19 1 1 A 47 47 GLY CA C 47 45.820 45.115 0.705 1
1 539 . 19 1 1 A 47 47 GLY N N 47 105.470 104.880 0.590 1
1 540 . 19 1 1 A 48 48 GLU H H 48 9.100 8.498 0.602 1
1 541 . 19 1 1 A 48 48 GLU HA H 48 5.257 5.777 -0.520 1
1 546 . 19 1 1 A 48 48 GLU C C 48 175.019 174.591 0.428 1
1 547 . 19 1 1 A 48 48 GLU CA C 48 56.247 54.927 1.320 1
1 548 . 19 1 1 A 48 48 GLU CB C 48 35.076 31.901 3.175 1
1 550 . 19 1 1 A 48 48 GLU N N 48 119.799 118.449 1.350 1
1 551 . 19 1 1 A 49 49 ILE H H 49 7.945 8.557 -0.612 1
1 552 . 19 1 1 A 49 49 ILE HA H 49 4.540 4.636 -0.096 1
1 562 . 19 1 1 A 49 49 ILE C C 49 176.382 176.365 0.017 1
1 563 . 19 1 1 A 49 49 ILE CA C 49 61.321 60.028 1.293 1
1 564 . 19 1 1 A 49 49 ILE CB C 49 41.847 38.725 3.122 1
1 568 . 19 1 1 A 49 49 ILE N N 49 120.718 126.886 -6.168 1
1 569 . 19 1 1 A 50 50 ASP H H 50 10.048 9.228 0.820 1
1 570 . 19 1 1 A 50 50 ASP HA H 50 4.522 4.346 0.176 1
1 573 . 19 1 1 A 50 50 ASP C C 50 176.193 175.351 0.842 1
1 574 . 19 1 1 A 50 50 ASP CA C 50 56.872 55.107 1.765 1
1 575 . 19 1 1 A 50 50 ASP CB C 50 40.754 39.791 0.963 1
1 576 . 19 1 1 A 50 50 ASP N N 50 130.256 127.781 2.475 1
1 577 . 19 1 1 A 51 51 GLY H H 51 9.048 8.403 0.645 1
1 578 . 19 1 1 A 51 51 GLY HA2 H 51 4.126 3.963 0.163 1
1 579 . 19 1 1 A 51 51 GLY HA3 H 51 3.660 3.969 -0.309 1
1 580 . 19 1 1 A 51 51 GLY C C 51 173.935 174.272 -0.337 1
1 581 . 19 1 1 A 51 51 GLY CA C 51 46.194 45.228 0.966 1
1 582 . 19 1 1 A 51 51 GLY N N 51 103.446 104.916 -1.470 1
1 583 . 19 1 1 A 52 52 LYS H H 52 7.905 7.673 0.232 1
1 584 . 19 1 1 A 52 52 LYS HA H 52 5.014 4.528 0.486 1
1 593 . 19 1 1 A 52 52 LYS CA C 52 53.809 53.028 0.781 1
1 594 . 19 1 1 A 52 52 LYS CB C 52 33.788 32.899 0.889 1
1 598 . 19 1 1 A 52 52 LYS N N 52 122.692 121.090 1.602 1
1 599 . 19 1 1 A 53 53 PRO HA H 53 5.523 5.344 0.179 1
1 606 . 19 1 1 A 53 53 PRO C C 53 176.300 176.996 -0.696 1
1 607 . 19 1 1 A 53 53 PRO CA C 53 62.896 62.515 0.381 1
1 608 . 19 1 1 A 53 53 PRO CB C 53 33.920 32.579 1.341 1
1 611 . 19 1 1 A 54 54 PHE H H 54 8.643 8.641 0.002 1
1 612 . 19 1 1 A 54 54 PHE HA H 54 4.907 5.317 -0.410 1
1 620 . 19 1 1 A 54 54 PHE C C 54 172.840 172.952 -0.112 1
1 621 . 19 1 1 A 54 54 PHE CA C 54 57.173 56.017 1.156 1
1 622 . 19 1 1 A 54 54 PHE CB C 54 43.620 42.522 1.098 1
1 628 . 19 1 1 A 54 54 PHE N N 54 117.436 119.139 -1.703 1
1 629 . 19 1 1 A 55 55 SER H H 55 8.009 8.990 -0.981 1
1 630 . 19 1 1 A 55 55 SER HA H 55 4.822 5.411 -0.589 1
1 633 . 19 1 1 A 55 55 SER C C 55 172.856 172.615 0.241 1
1 634 . 19 1 1 A 55 55 SER CA C 55 58.238 57.194 1.044 1
1 635 . 19 1 1 A 55 55 SER CB C 55 66.163 66.133 0.030 1
1 636 . 19 1 1 A 55 55 SER N N 55 113.907 113.968 -0.061 1
1 637 . 19 1 1 A 56 56 ASP H H 56 9.593 8.973 0.620 1
1 638 . 19 1 1 A 56 56 ASP HA H 56 4.985 5.520 -0.535 1
1 641 . 19 1 1 A 56 56 ASP C C 56 175.049 173.859 1.190 1
1 642 . 19 1 1 A 56 56 ASP CA C 56 54.043 53.284 0.759 1
1 643 . 19 1 1 A 56 56 ASP CB C 56 46.425 45.273 1.152 1
1 644 . 19 1 1 A 56 56 ASP N N 56 125.145 122.890 2.255 1
1 645 . 19 1 1 A 57 57 SER H H 57 10.207 8.734 1.473 1
1 646 . 19 1 1 A 57 57 SER HA H 57 5.383 5.292 0.091 1
1 649 . 19 1 1 A 57 57 SER C C 57 172.452 173.470 -1.018 1
1 650 . 19 1 1 A 57 57 SER CA C 57 59.008 57.361 1.647 1
1 651 . 19 1 1 A 57 57 SER CB C 57 67.802 66.116 1.686 1
1 652 . 19 1 1 A 57 57 SER N N 57 115.172 118.121 -2.949 1
1 653 . 19 1 1 A 58 58 PHE H H 58 8.623 8.584 0.039 1
1 654 . 19 1 1 A 58 58 PHE HA H 58 4.904 5.580 -0.676 1
1 662 . 19 1 1 A 58 58 PHE C C 58 172.447 173.178 -0.731 1
1 663 . 19 1 1 A 58 58 PHE CA C 58 57.781 55.429 2.352 1
1 664 . 19 1 1 A 58 58 PHE CB C 58 40.736 43.069 -2.333 1
1 670 . 19 1 1 A 58 58 PHE N N 58 115.065 120.327 -5.262 1
1 671 . 19 1 1 A 59 59 GLU H H 59 8.721 8.962 -0.241 1
1 672 . 19 1 1 A 59 59 GLU HA H 59 5.595 5.342 0.253 1
1 677 . 19 1 1 A 59 59 GLU C C 59 175.836 175.482 0.354 1
1 678 . 19 1 1 A 59 59 GLU CA C 59 55.290 55.239 0.051 1
1 679 . 19 1 1 A 59 59 GLU CB C 59 34.345 32.954 1.391 1
1 681 . 19 1 1 A 59 59 GLU N N 59 118.122 119.195 -1.073 1
1 682 . 19 1 1 A 60 60 LEU H H 60 9.016 9.061 -0.045 1
1 683 . 19 1 1 A 60 60 LEU HA H 60 5.221 5.022 0.199 1
1 693 . 19 1 1 A 60 60 LEU CA C 60 52.275 51.176 1.099 1
1 694 . 19 1 1 A 60 60 LEU CB C 60 46.774 45.443 1.331 1
1 698 . 19 1 1 A 60 60 LEU N N 60 121.299 124.590 -3.291 1
1 699 . 19 1 1 A 61 61 PRO HA H 61 4.614 4.695 -0.081 1
1 706 . 19 1 1 A 61 61 PRO C C 61 176.316 177.633 -1.317 1
1 707 . 19 1 1 A 61 61 PRO CA C 61 62.719 62.610 0.109 1
1 708 . 19 1 1 A 61 61 PRO CB C 61 33.758 32.816 0.942 1
1 711 . 19 1 1 A 62 62 ARG H H 62 8.017 9.328 -1.311 1
1 712 . 19 1 1 A 62 62 ARG HA H 62 3.738 3.878 -0.140 1
1 719 . 19 1 1 A 62 62 ARG C C 62 176.976 177.584 -0.608 1
1 720 . 19 1 1 A 62 62 ARG CA C 62 60.653 59.399 1.254 1
1 721 . 19 1 1 A 62 62 ARG CB C 62 31.549 30.026 1.523 1
1 724 . 19 1 1 A 62 62 ARG N N 62 118.159 121.289 -3.130 1
1 725 . 19 1 1 A 63 63 ASP H H 63 8.665 8.092 0.573 1
1 726 . 19 1 1 A 63 63 ASP HA H 63 4.484 4.528 -0.044 1
1 729 . 19 1 1 A 63 63 ASP C C 63 177.483 177.200 0.283 1
1 730 . 19 1 1 A 63 63 ASP CA C 63 57.335 56.965 0.370 1
1 731 . 19 1 1 A 63 63 ASP CB C 63 41.410 41.147 0.263 1
1 732 . 19 1 1 A 63 63 ASP N N 63 113.726 119.527 -5.801 1
1 733 . 19 1 1 A 64 64 THR H H 64 7.553 7.754 -0.201 1
1 734 . 19 1 1 A 64 64 THR HA H 64 4.562 4.764 -0.202 1
1 739 . 19 1 1 A 64 64 THR C C 64 175.654 175.336 0.318 1
1 740 . 19 1 1 A 64 64 THR CA C 64 61.499 61.019 0.480 1
1 741 . 19 1 1 A 64 64 THR CB C 64 69.606 69.198 0.408 1
1 743 . 19 1 1 A 64 64 THR N N 64 107.855 107.136 0.719 1
1 744 . 19 1 1 A 65 65 ALA H H 65 7.406 7.740 -0.334 1
1 745 . 19 1 1 A 65 65 ALA HA H 65 4.012 4.228 -0.216 1
1 749 . 19 1 1 A 65 65 ALA C C 65 176.820 179.399 -2.579 1
1 750 . 19 1 1 A 65 65 ALA CA C 65 55.939 54.869 1.070 1
1 751 . 19 1 1 A 65 65 ALA CB C 65 19.454 18.383 1.071 1
1 752 . 19 1 1 A 65 65 ALA N N 65 123.777 125.780 -2.003 1
1 753 . 19 1 1 A 66 66 PHE H H 66 7.583 7.575 0.008 1
1 754 . 19 1 1 A 66 66 PHE HA H 66 4.381 4.682 -0.301 1
1 762 . 19 1 1 A 66 66 PHE C C 66 176.104 177.198 -1.094 1
1 763 . 19 1 1 A 66 66 PHE CA C 66 58.836 60.349 -1.513 1
1 764 . 19 1 1 A 66 66 PHE CB C 66 37.740 37.931 -0.191 1
1 770 . 19 1 1 A 66 66 PHE N N 66 110.346 115.679 -5.333 1
1 771 . 19 1 1 A 67 67 ASN H H 67 7.984 8.088 -0.104 1
1 772 . 19 1 1 A 67 67 ASN HA H 67 4.848 4.988 -0.140 1
1 777 . 19 1 1 A 67 67 ASN C C 67 175.700 176.178 -0.478 1
1 778 . 19 1 1 A 67 67 ASN CA C 67 53.469 53.106 0.363 1
1 779 . 19 1 1 A 67 67 ASN CB C 67 38.836 39.206 -0.370 1
1 780 . 19 1 1 A 67 67 ASN N N 67 120.591 118.196 2.395 1
1 782 . 19 1 1 A 68 68 PHE H H 68 7.218 8.127 -0.909 1
1 783 . 19 1 1 A 68 68 PHE HA H 68 4.054 4.107 -0.053 1
1 790 . 19 1 1 A 68 68 PHE C C 68 174.796 176.817 -2.021 1
1 791 . 19 1 1 A 68 68 PHE CA C 68 60.849 60.901 -0.052 1
1 792 . 19 1 1 A 68 68 PHE CB C 68 40.263 37.690 2.573 1
1 797 . 19 1 1 A 68 68 PHE N N 68 115.915 119.006 -3.091 1
1 798 . 19 1 1 A 69 69 ALA H H 69 7.780 7.299 0.481 1
1 799 . 19 1 1 A 69 69 ALA HA H 69 3.484 3.895 -0.411 1
1 803 . 19 1 1 A 69 69 ALA C C 69 180.022 179.579 0.443 1
1 804 . 19 1 1 A 69 69 ALA CA C 69 56.283 54.569 1.714 1
1 805 . 19 1 1 A 69 69 ALA CB C 69 18.935 17.949 0.986 1
1 806 . 19 1 1 A 69 69 ALA N N 69 124.604 123.256 1.348 1
1 807 . 19 1 1 A 70 70 SER H H 70 7.852 7.809 0.043 1
1 808 . 19 1 1 A 70 70 SER HA H 70 4.061 4.026 0.035 1
1 811 . 19 1 1 A 70 70 SER C C 70 177.054 175.604 1.450 1
1 812 . 19 1 1 A 70 70 SER CA C 70 62.085 61.719 0.366 1
1 813 . 19 1 1 A 70 70 SER CB C 70 62.976 63.035 -0.059 1
1 814 . 19 1 1 A 70 70 SER N N 70 114.973 114.429 0.544 1
1 815 . 19 1 1 A 71 71 ASP H H 71 7.602 7.944 -0.342 1
1 816 . 19 1 1 A 71 71 ASP HA H 71 4.012 4.120 -0.108 1
1 819 . 19 1 1 A 71 71 ASP C C 71 177.086 177.610 -0.524 1
1 820 . 19 1 1 A 71 71 ASP CA C 71 58.501 56.762 1.739 1
1 821 . 19 1 1 A 71 71 ASP CB C 71 42.006 40.489 1.517 1
1 822 . 19 1 1 A 71 71 ASP N N 71 123.211 121.795 1.416 1
1 823 . 19 1 1 A 72 72 ALA H H 72 8.406 7.926 0.480 1
1 824 . 19 1 1 A 72 72 ALA HA H 72 3.671 4.113 -0.442 1
1 828 . 19 1 1 A 72 72 ALA C C 72 179.377 179.671 -0.294 1
1 829 . 19 1 1 A 72 72 ALA CA C 72 55.717 55.202 0.515 1
1 830 . 19 1 1 A 72 72 ALA CB C 72 18.658 18.559 0.099 1
1 831 . 19 1 1 A 72 72 ALA N N 72 119.793 121.143 -1.350 1
1 832 . 19 1 1 A 73 73 THR H H 73 7.631 7.691 -0.060 1
1 833 . 19 1 1 A 73 73 THR HA H 73 3.562 3.892 -0.330 1
1 838 . 19 1 1 A 73 73 THR C C 73 175.072 176.135 -1.063 1
1 839 . 19 1 1 A 73 73 THR CA C 73 68.525 66.257 2.268 1
1 840 . 19 1 1 A 73 73 THR CB C 73 69.564 68.088 1.476 1
1 842 . 19 1 1 A 73 73 THR N N 73 114.702 114.259 0.443 1
1 843 . 19 1 1 A 74 74 ARG H H 74 7.629 7.788 -0.159 1
1 844 . 19 1 1 A 74 74 ARG HA H 74 3.795 4.000 -0.205 1
1 851 . 19 1 1 A 74 74 ARG C C 74 176.832 178.296 -1.464 1
1 852 . 19 1 1 A 74 74 ARG CA C 74 60.580 59.081 1.499 1
1 853 . 19 1 1 A 74 74 ARG CB C 74 30.409 29.709 0.700 1
1 856 . 19 1 1 A 74 74 ARG N N 74 122.528 120.368 2.160 1
1 857 . 19 1 1 A 75 75 VAL H H 75 8.008 8.164 -0.156 1
1 858 . 19 1 1 A 75 75 VAL HA H 75 3.439 3.853 -0.414 1
1 866 . 19 1 1 A 75 75 VAL C C 75 177.802 177.481 0.321 1
1 867 . 19 1 1 A 75 75 VAL CA C 75 67.492 64.793 2.699 1
1 868 . 19 1 1 A 75 75 VAL CB C 75 32.220 31.454 0.766 1
1 871 . 19 1 1 A 75 75 VAL N N 75 120.044 118.771 1.273 1
1 872 . 19 1 1 A 76 76 ALA H H 76 8.092 7.966 0.126 1
1 873 . 19 1 1 A 76 76 ALA HA H 76 3.537 3.953 -0.416 1
1 877 . 19 1 1 A 76 76 ALA C C 76 180.078 179.505 0.573 1
1 878 . 19 1 1 A 76 76 ALA CA C 76 56.194 55.364 0.830 1
1 879 . 19 1 1 A 76 76 ALA CB C 76 18.882 17.967 0.915 1
1 880 . 19 1 1 A 76 76 ALA N N 76 120.726 123.444 -2.718 1
1 881 . 19 1 1 A 77 77 GLN H H 77 8.432 7.543 0.889 1
1 882 . 19 1 1 A 77 77 GLN HA H 77 4.428 4.186 0.242 1
1 885 . 19 1 1 A 77 77 GLN CA C 77 58.987 58.509 0.478 1
1 887 . 19 1 1 A 77 77 GLN N N 77 118.235 118.056 0.179 1
1 888 . 19 1 1 A 78 78 LYS H H 78 7.655 7.847 -0.192 1
1 889 . 19 1 1 A 78 78 LYS HA H 78 3.874 4.037 -0.163 1
1 898 . 19 1 1 A 78 78 LYS C C 78 177.044 178.293 -1.249 1
1 899 . 19 1 1 A 78 78 LYS CA C 78 59.393 58.699 0.694 1
1 900 . 19 1 1 A 78 78 LYS CB C 78 32.583 32.334 0.249 1
1 904 . 19 1 1 A 78 78 LYS N N 78 121.797 120.668 1.129 1
1 905 . 19 1 1 A 79 79 HIS H H 79 6.888 7.151 -0.263 1
1 906 . 19 1 1 A 79 79 HIS HA H 79 4.501 4.465 0.036 1
1 909 . 19 1 1 A 79 79 HIS C C 79 174.191 174.801 -0.610 1
1 910 . 19 1 1 A 79 79 HIS CA C 79 56.166 56.140 0.026 1
1 911 . 19 1 1 A 79 79 HIS CB C 79 30.993 29.611 1.382 1
1 912 . 19 1 1 A 79 79 HIS N N 79 115.368 115.136 0.232 1
1 913 . 19 1 1 A 80 80 GLY H H 80 7.159 7.502 -0.343 1
1 914 . 19 1 1 A 80 80 GLY HA2 H 80 4.433 3.824 0.609 1
1 915 . 19 1 1 A 80 80 GLY HA3 H 80 3.541 3.828 -0.287 1
1 916 . 19 1 1 A 80 80 GLY C C 80 175.246 175.441 -0.195 1
1 917 . 19 1 1 A 80 80 GLY CA C 80 45.823 46.873 -1.050 1
1 918 . 19 1 1 A 80 80 GLY N N 80 104.319 108.155 -3.836 1
1 919 . 19 1 1 A 81 81 LEU H H 81 7.962 8.052 -0.090 1
1 920 . 19 1 1 A 81 81 LEU HA H 81 4.012 4.197 -0.185 1
1 930 . 19 1 1 A 81 81 LEU CA C 81 56.383 57.281 -0.898 1
1 931 . 19 1 1 A 81 81 LEU CB C 81 43.506 43.266 0.240 1
1 935 . 19 1 1 A 81 81 LEU N N 81 124.945 120.937 4.008 1
1 936 . 19 1 1 A 83 83 PRO HA H 83 4.248 4.598 -0.350 1
1 943 . 19 1 1 A 83 83 PRO CA C 83 65.606 62.558 3.048 1
1 944 . 19 1 1 A 83 83 PRO CB C 83 32.805 30.103 2.702 1
1 947 . 19 1 1 A 84 84 LYS HA H 84 4.132 3.737 0.395 1
1 956 . 19 1 1 A 84 84 LYS CA C 84 59.351 59.219 0.132 1
1 957 . 19 1 1 A 84 84 LYS CB C 84 33.109 31.637 1.472 1
1 961 . 19 1 1 A 85 85 PHE HA H 85 3.941 4.464 -0.523 1
1 964 . 19 1 1 A 85 85 PHE CA C 85 59.693 59.144 0.549 1
1 965 . 19 1 1 A 85 85 PHE CB C 85 39.968 38.872 1.096 1
1 966 . 19 1 1 A 86 86 GLY HA2 H 86 3.721 3.940 -0.219 1
1 967 . 19 1 1 A 86 86 GLY HA3 H 86 3.659 3.942 -0.283 1
1 968 . 19 1 1 A 86 86 GLY CA C 86 44.471 47.350 -2.879 1
1 969 . 19 1 1 A 87 87 ALA HA H 87 4.274 4.595 -0.321 1
1 973 . 19 1 1 A 87 87 ALA CA C 87 53.390 51.731 1.659 1
1 974 . 19 1 1 A 87 87 ALA CB C 87 20.262 18.717 1.545 1
1 975 . 19 1 1 A 88 88 ILE HA H 88 4.015 4.331 -0.316 1
1 985 . 19 1 1 A 88 88 ILE CA C 88 63.697 60.991 2.706 1
1 986 . 19 1 1 A 88 88 ILE CB C 88 38.931 36.964 1.967 1
1 990 . 19 1 1 A 89 89 THR HA H 89 4.224 4.274 -0.050 1
1 994 . 19 1 1 A 89 89 THR CA C 89 63.088 63.781 -0.693 1
1 996 . 19 1 1 A 90 90 ARG HA H 90 4.105 4.261 -0.156 1
1 1003 . 19 1 1 A 90 90 ARG CA C 90 58.412 58.609 -0.197 1
1 1004 . 19 1 1 A 90 90 ARG CB C 90 30.907 30.542 0.365 1
1 1007 . 19 1 1 A 91 91 VAL HA H 91 4.047 4.167 -0.120 1
1 1015 . 19 1 1 A 91 91 VAL C C 91 175.627 175.514 0.113 1
1 1016 . 19 1 1 A 91 91 VAL CA C 91 62.923 61.414 1.509 1
1 1017 . 19 1 1 A 91 91 VAL CB C 91 32.060 33.086 -1.026 1
1 1020 . 19 1 1 A 92 92 HIS HA H 92 4.567 4.683 -0.116 1
1 1023 . 19 1 1 A 92 92 HIS CA C 92 57.021 55.348 1.673 1
1 1024 . 19 1 1 A 92 92 HIS CB C 92 31.579 28.325 3.254 1
1 1025 . 19 1 1 A 93 93 LYS H H 93 8.490 8.025 0.465 1
1 1026 . 19 1 1 A 93 93 LYS HA H 93 4.149 4.046 0.103 1
1 1035 . 19 1 1 A 93 93 LYS CA C 93 58.472 56.579 1.893 1
1 1036 . 19 1 1 A 93 93 LYS CB C 93 32.632 32.807 -0.175 1
1 1040 . 19 1 1 A 93 93 LYS N N 93 123.001 122.889 0.112 1
1 1041 . 19 1 1 A 94 94 GLU HA H 94 4.265 4.469 -0.204 1
1 1046 . 19 1 1 A 94 94 GLU CA C 94 57.682 56.355 1.327 1
1 1047 . 19 1 1 A 94 94 GLU CB C 94 30.952 29.750 1.202 1
1 1049 . 19 1 1 A 95 95 TYR HA H 95 4.205 4.251 -0.046 1
1 1056 . 19 1 1 A 95 95 TYR C C 95 176.555 177.256 -0.701 1
1 1057 . 19 1 1 A 95 95 TYR CA C 95 60.582 61.175 -0.593 1
1 1058 . 19 1 1 A 95 95 TYR CB C 95 39.000 38.417 0.583 1
1 1063 . 19 1 1 A 96 96 ASP H H 96 8.104 8.386 -0.282 1
1 1064 . 19 1 1 A 96 96 ASP HA H 96 4.252 4.155 0.097 1
1 1067 . 19 1 1 A 96 96 ASP CA C 96 58.583 57.712 0.871 1
1 1068 . 19 1 1 A 96 96 ASP CB C 96 41.058 42.000 -0.942 1
1 1069 . 19 1 1 A 96 96 ASP N N 96 120.068 120.005 0.063 1
1 1070 . 19 1 1 A 97 97 ALA HA H 97 3.964 4.072 -0.108 1
1 1074 . 19 1 1 A 97 97 ALA C C 97 179.912 179.161 0.751 1
1 1075 . 19 1 1 A 97 97 ALA CA C 97 55.582 55.299 0.283 1
1 1076 . 19 1 1 A 97 97 ALA CB C 97 18.849 18.310 0.539 1
1 1077 . 19 1 1 A 98 98 MET H H 98 7.422 7.878 -0.456 1
1 1078 . 19 1 1 A 98 98 MET HA H 98 3.847 4.059 -0.212 1
1 1083 . 19 1 1 A 98 98 MET C C 98 177.185 178.190 -1.005 1
1 1084 . 19 1 1 A 98 98 MET CA C 98 59.943 58.088 1.855 1
1 1085 . 19 1 1 A 98 98 MET CB C 98 32.583 32.163 0.420 1
1 1087 . 19 1 1 A 98 98 MET N N 98 120.651 118.442 2.209 1
1 1088 . 19 1 1 A 99 99 PHE H H 99 8.652 8.291 0.361 1
1 1089 . 19 1 1 A 99 99 PHE HA H 99 4.150 3.960 0.190 1
1 1097 . 19 1 1 A 99 99 PHE C C 99 177.911 177.945 -0.034 1
1 1098 . 19 1 1 A 99 99 PHE CA C 99 61.936 61.479 0.457 1
1 1099 . 19 1 1 A 99 99 PHE CB C 99 39.302 39.029 0.273 1
1 1105 . 19 1 1 A 99 99 PHE N N 99 119.857 120.867 -1.010 1
1 1106 . 19 1 1 A 100 100 GLU H H 100 8.232 8.501 -0.269 1
1 1107 . 19 1 1 A 100 100 GLU HA H 100 4.094 4.195 -0.101 1
1 1112 . 19 1 1 A 100 100 GLU CA C 100 59.579 59.766 -0.187 1
1 1113 . 19 1 1 A 100 100 GLU CB C 100 29.878 29.030 0.848 1
1 1115 . 19 1 1 A 100 100 GLU N N 100 117.666 118.438 -0.772 1
1 1116 . 19 1 1 A 101 101 ASP HA H 101 4.568 4.427 0.141 1
1 1119 . 19 1 1 A 101 101 ASP C C 101 177.667 178.482 -0.815 1
1 1120 . 19 1 1 A 101 101 ASP CA C 101 58.940 57.715 1.225 1
1 1121 . 19 1 1 A 101 101 ASP CB C 101 43.462 41.732 1.730 1
1 1122 . 19 1 1 A 102 102 ILE H H 102 8.370 7.771 0.599 1
1 1123 . 19 1 1 A 102 102 ILE HA H 102 3.319 3.517 -0.198 1
1 1133 . 19 1 1 A 102 102 ILE C C 102 177.347 178.233 -0.886 1
1 1134 . 19 1 1 A 102 102 ILE CA C 102 67.567 65.034 2.533 1
1 1135 . 19 1 1 A 102 102 ILE CB C 102 38.766 37.471 1.295 1
1 1139 . 19 1 1 A 102 102 ILE N N 102 118.449 119.309 -0.860 1
1 1140 . 19 1 1 A 103 103 ARG H H 103 8.450 8.086 0.364 1
1 1141 . 19 1 1 A 103 103 ARG HA H 103 3.834 4.025 -0.191 1
1 1148 . 19 1 1 A 103 103 ARG C C 103 178.760 178.355 0.405 1
1 1149 . 19 1 1 A 103 103 ARG CA C 103 61.318 58.575 2.743 1
1 1150 . 19 1 1 A 103 103 ARG CB C 103 30.978 29.970 1.008 1
1 1153 . 19 1 1 A 103 103 ARG N N 103 118.941 120.453 -1.512 1
1 1154 . 19 1 1 A 104 104 ALA H H 104 8.289 7.781 0.508 1
1 1155 . 19 1 1 A 104 104 ALA HA H 104 4.072 4.070 0.002 1
1 1159 . 19 1 1 A 104 104 ALA C C 104 181.340 179.483 1.857 1
1 1160 . 19 1 1 A 104 104 ALA CA C 104 56.021 55.139 0.882 1
1 1161 . 19 1 1 A 104 104 ALA CB C 104 18.962 18.299 0.663 1
1 1162 . 19 1 1 A 104 104 ALA N N 104 121.028 122.101 -1.073 1
1 1163 . 19 1 1 A 105 105 LYS H H 105 8.231 7.633 0.598 1
1 1164 . 19 1 1 A 105 105 LYS HA H 105 4.013 4.054 -0.041 1
1 1173 . 19 1 1 A 105 105 LYS C C 105 179.414 179.176 0.238 1
1 1174 . 19 1 1 A 105 105 LYS CA C 105 60.025 58.833 1.192 1
1 1175 . 19 1 1 A 105 105 LYS CB C 105 34.341 31.764 2.577 1
1 1179 . 19 1 1 A 105 105 LYS N N 105 118.789 118.329 0.460 1
1 1180 . 19 1 1 A 106 106 LEU H H 106 8.289 8.137 0.152 1
1 1181 . 19 1 1 A 106 106 LEU HA H 106 4.043 3.937 0.106 1
1 1191 . 19 1 1 A 106 106 LEU C C 106 178.091 179.009 -0.918 1
1 1192 . 19 1 1 A 106 106 LEU CA C 106 57.469 57.767 -0.298 1
1 1193 . 19 1 1 A 106 106 LEU CB C 106 43.248 41.327 1.921 1
1 1197 . 19 1 1 A 106 106 LEU N N 106 119.086 119.939 -0.853 1
1 1198 . 19 1 1 A 107 107 HIS H H 107 7.861 7.876 -0.015 1
1 1199 . 19 1 1 A 107 107 HIS HA H 107 4.428 4.226 0.202 1
1 1203 . 19 1 1 A 107 107 HIS C C 107 175.263 175.125 0.138 1
1 1204 . 19 1 1 A 107 107 HIS CA C 107 58.218 58.650 -0.432 1
1 1205 . 19 1 1 A 107 107 HIS CB C 107 30.819 30.510 0.309 1
1 1207 . 19 1 1 A 107 107 HIS N N 107 118.172 117.456 0.716 1
1 1208 . 19 1 1 A 108 108 ALA H H 108 7.505 7.770 -0.265 1
1 1209 . 19 1 1 A 108 108 ALA HA H 108 4.218 3.875 0.343 1
1 1213 . 19 1 1 A 108 108 ALA C C 108 179.374 176.585 2.789 1
1 1214 . 19 1 1 A 108 108 ALA CA C 108 53.303 55.123 -1.820 1
1 1215 . 19 1 1 A 108 108 ALA CB C 108 20.005 17.233 2.772 1
1 1216 . 19 1 1 A 108 108 ALA N N 108 121.363 120.638 0.725 1
1 1217 . 19 1 1 A 109 109 HIS H H 109 7.987 7.865 0.122 1
1 1218 . 19 1 1 A 109 109 HIS HA H 109 4.770 4.737 0.033 1
1 1221 . 19 1 1 A 109 109 HIS CA C 109 55.217 54.849 0.368 1
1 1222 . 19 1 1 A 109 109 HIS CB C 109 31.250 29.910 1.340 1
1 1223 . 19 1 1 A 109 109 HIS N N 109 120.133 116.981 3.152 1
1 1224 . 19 1 1 A 110 110 PRO HA H 110 4.368 4.362 0.006 1
1 1231 . 19 1 1 A 110 110 PRO C C 110 177.350 176.060 1.290 1
1 1232 . 19 1 1 A 110 110 PRO CA C 110 64.430 62.861 1.569 1
1 1233 . 19 1 1 A 110 110 PRO CB C 110 32.912 30.665 2.247 1
1 1236 . 19 1 1 A 111 111 GLY H H 111 8.492 8.473 0.019 1
1 1237 . 19 1 1 A 111 111 GLY HA2 H 111 3.925 3.664 0.261 1
1 1238 . 19 1 1 A 111 111 GLY HA3 H 111 3.925 3.764 0.161 1
1 1239 . 19 1 1 A 111 111 GLY C C 111 173.681 173.506 0.175 1
1 1240 . 19 1 1 A 111 111 GLY CA C 111 45.831 46.646 -0.815 1
1 1241 . 19 1 1 A 111 111 GLY N N 111 109.622 110.314 -0.692 1
1 1242 . 19 1 1 A 112 112 GLU H H 112 8.139 7.967 0.172 1
1 1243 . 19 1 1 A 112 112 GLU HA H 112 4.573 4.507 0.066 1
1 1248 . 19 1 1 A 112 112 GLU CA C 112 55.099 54.873 0.226 1
1 1249 . 19 1 1 A 112 112 GLU CB C 112 30.664 28.588 2.076 1
1 1251 . 19 1 1 A 112 112 GLU N N 112 121.771 123.143 -1.372 1
1 1252 . 19 1 1 A 113 113 PRO HA H 113 4.411 4.602 -0.191 1
1 1259 . 19 1 1 A 113 113 PRO C C 113 176.943 175.254 1.689 1
1 1260 . 19 1 1 A 113 113 PRO CA C 113 63.990 62.934 1.056 1
1 1261 . 19 1 1 A 113 113 PRO CB C 113 32.817 31.079 1.738 1
1 1264 . 19 1 1 A 114 114 VAL H H 114 8.226 8.242 -0.016 1
1 1265 . 19 1 1 A 114 114 VAL HA H 114 4.036 4.665 -0.629 1
1 1273 . 19 1 1 A 114 114 VAL C C 114 175.708 173.392 2.316 1
1 1274 . 19 1 1 A 114 114 VAL CA C 114 63.021 60.404 2.617 1
1 1275 . 19 1 1 A 114 114 VAL CB C 114 33.996 34.736 -0.740 1
1 1278 . 19 1 1 A 114 114 VAL N N 114 120.138 123.415 -3.277 1
1 1279 . 19 1 1 A 115 115 ASP H H 115 8.313 8.968 -0.655 1
1 1280 . 19 1 1 A 115 115 ASP HA H 115 4.587 5.243 -0.656 1
1 1283 . 19 1 1 A 115 115 ASP C C 115 176.361 176.632 -0.271 1
1 1284 . 19 1 1 A 115 115 ASP CA C 115 54.760 53.333 1.427 1
1 1285 . 19 1 1 A 115 115 ASP CB C 115 41.888 41.789 0.099 1
1 1286 . 19 1 1 A 115 115 ASP N N 115 123.840 127.277 -3.437 1
1 1287 . 19 1 1 A 116 116 LEU H H 116 8.202 8.135 0.067 1
1 1288 . 19 1 1 A 116 116 LEU HA H 116 4.168 3.942 0.226 1
1 1298 . 19 1 1 A 116 116 LEU C C 116 177.811 178.537 -0.726 1
1 1299 . 19 1 1 A 116 116 LEU CA C 116 56.696 57.922 -1.226 1
1 1300 . 19 1 1 A 116 116 LEU CB C 116 43.084 41.548 1.536 1
1 1304 . 19 1 1 A 116 116 LEU N N 116 123.362 119.617 3.745 1
1 1305 . 19 1 1 A 117 117 GLU H H 117 8.311 7.915 0.396 1
1 1306 . 19 1 1 A 117 117 GLU HA H 117 4.141 4.179 -0.038 1
1 1311 . 19 1 1 A 117 117 GLU C C 117 176.687 178.001 -1.314 1
1 1312 . 19 1 1 A 117 117 GLU CA C 117 57.937 57.928 0.009 1
1 1313 . 19 1 1 A 117 117 GLU CB C 117 30.685 29.603 1.082 1
1 1315 . 19 1 1 A 117 117 GLU N N 117 119.881 118.988 0.893 1
1 1316 . 19 1 1 A 118 118 ARG H H 118 7.930 7.661 0.269 1
1 1317 . 19 1 1 A 118 118 ARG HA H 118 4.223 4.155 0.068 1
1 1324 . 19 1 1 A 118 118 ARG C C 118 176.125 178.537 -2.412 1
1 1325 . 19 1 1 A 118 118 ARG CA C 118 57.133 57.706 -0.573 1
1 1326 . 19 1 1 A 118 118 ARG CB C 118 31.445 30.044 1.401 1
1 1329 . 19 1 1 A 118 118 ARG N N 118 120.580 119.444 1.136 1
1 1330 . 19 1 1 A 119 119 ILE H H 119 7.926 7.686 0.240 1
1 1331 . 19 1 1 A 119 119 ILE HA H 119 4.041 3.936 0.105 1
1 1341 . 19 1 1 A 119 119 ILE C C 119 176.166 175.899 0.267 1
1 1342 . 19 1 1 A 119 119 ILE CA C 119 62.131 64.581 -2.450 1
1 1343 . 19 1 1 A 119 119 ILE CB C 119 39.327 38.302 1.025 1
1 1347 . 19 1 1 A 119 119 ILE N N 119 121.721 119.056 2.665 1
1 1348 . 19 1 1 A 120 120 ILE H H 120 8.152 8.029 0.123 1
1 1349 . 19 1 1 A 120 120 ILE HA H 120 4.038 4.423 -0.385 1
1 1359 . 19 1 1 A 120 120 ILE C C 120 175.922 174.964 0.958 1
1 1360 . 19 1 1 A 120 120 ILE CA C 120 61.812 60.828 0.984 1
1 1361 . 19 1 1 A 120 120 ILE CB C 120 39.091 38.765 0.326 1
1 1365 . 19 1 1 A 120 120 ILE N N 120 125.274 121.075 4.199 1
1 1366 . 19 1 1 A 121 121 ARG H H 121 8.266 8.778 -0.512 1
1 1367 . 19 1 1 A 121 121 ARG HA H 121 4.293 4.809 -0.516 1
1 1374 . 19 1 1 A 121 121 ARG CA C 121 56.489 54.993 1.496 1
1 1375 . 19 1 1 A 121 121 ARG CB C 121 31.785 31.055 0.730 1
1 1378 . 19 1 1 A 121 121 ARG N N 121 125.412 127.730 -2.318 1
1 1379 . 19 1 1 A 122 122 HIS HA H 122 5.066 4.810 0.256 1
1 1383 . 19 1 1 A 122 122 HIS C C 122 175.210 175.077 0.133 1
1 1384 . 19 1 1 A 122 122 HIS CA C 122 56.554 55.676 0.878 1
1 1385 . 19 1 1 A 122 122 HIS CB C 122 32.905 30.561 2.344 1
1 1387 . 19 1 1 A 123 123 GLU H H 123 8.936 8.693 0.243 1
1 1388 . 19 1 1 A 123 123 GLU N N 123 121.008 125.624 -4.616 1
1 1389 . 19 1 1 A 124 124 GLY HA2 H 124 3.984 3.795 0.189 1
1 1390 . 19 1 1 A 124 124 GLY HA3 H 124 3.913 3.835 0.078 1
1 1391 . 19 1 1 A 124 124 GLY C C 124 173.408 175.452 -2.044 1
1 1392 . 19 1 1 A 124 124 GLY CA C 124 46.124 47.554 -1.430 1
1 10 . 20 1 1 A 2 2 GLY H H 2 8.402 8.584 -0.182 1
1 11 . 20 1 1 A 2 2 GLY HA2 H 2 3.903 3.973 -0.070 1
1 12 . 20 1 1 A 2 2 GLY HA3 H 2 3.903 3.998 -0.095 1
1 13 . 20 1 1 A 2 2 GLY C C 2 172.919 174.049 -1.130 1
1 14 . 20 1 1 A 2 2 GLY CA C 2 45.814 46.380 -0.566 1
1 15 . 20 1 1 A 2 2 GLY N N 2 110.769 108.820 1.949 1
1 16 . 20 1 1 A 3 3 HIS H H 3 8.198 8.426 -0.228 1
1 17 . 20 1 1 A 3 3 HIS N N 3 120.514 121.465 -0.951 1
1 18 . 20 1 1 A 4 4 MET HA H 4 4.688 4.965 -0.277 1
1 26 . 20 1 1 A 4 4 MET CA C 4 56.462 54.783 1.679 1
1 27 . 20 1 1 A 4 4 MET CB C 4 35.293 37.157 -1.864 1
1 30 . 20 1 1 A 5 5 PHE H H 5 8.690 9.076 -0.386 1
1 31 . 20 1 1 A 5 5 PHE HA H 5 5.254 5.366 -0.112 1
1 39 . 20 1 1 A 5 5 PHE C C 5 173.490 174.124 -0.634 1
1 40 . 20 1 1 A 5 5 PHE CA C 5 58.548 56.791 1.757 1
1 41 . 20 1 1 A 5 5 PHE CB C 5 43.312 42.799 0.513 1
1 47 . 20 1 1 A 5 5 PHE N N 5 123.462 125.010 -1.548 1
1 48 . 20 1 1 A 6 6 GLU H H 6 7.963 8.442 -0.479 1
1 49 . 20 1 1 A 6 6 GLU HA H 6 4.182 4.441 -0.259 1
1 54 . 20 1 1 A 6 6 GLU CA C 6 53.572 53.871 -0.299 1
1 55 . 20 1 1 A 6 6 GLU CB C 6 31.259 32.419 -1.160 1
1 57 . 20 1 1 A 6 6 GLU N N 6 127.826 123.156 4.670 1
1 58 . 20 1 1 A 7 7 PRO HA H 7 3.783 4.323 -0.540 1
1 65 . 20 1 1 A 7 7 PRO C C 7 177.433 177.283 0.150 1
1 66 . 20 1 1 A 7 7 PRO CA C 7 66.503 63.574 2.929 1
1 67 . 20 1 1 A 7 7 PRO CB C 7 31.785 31.218 0.567 1
1 70 . 20 1 1 A 8 8 GLY H H 8 7.537 8.558 -1.021 1
1 71 . 20 1 1 A 8 8 GLY HA2 H 8 3.896 3.317 0.579 1
1 72 . 20 1 1 A 8 8 GLY HA3 H 8 2.085 3.707 -1.622 1
1 73 . 20 1 1 A 8 8 GLY C C 8 174.730 172.854 1.876 1
1 74 . 20 1 1 A 8 8 GLY CA C 8 46.895 44.744 2.151 1
1 75 . 20 1 1 A 8 8 GLY N N 8 111.178 112.561 -1.383 1
1 76 . 20 1 1 A 9 9 HIS H H 9 9.112 7.507 1.605 1
1 77 . 20 1 1 A 9 9 HIS HA H 9 5.699 5.153 0.546 1
1 81 . 20 1 1 A 9 9 HIS C C 9 170.886 172.794 -1.908 1
1 82 . 20 1 1 A 9 9 HIS CA C 9 55.252 56.036 -0.784 1
1 83 . 20 1 1 A 9 9 HIS CB C 9 32.029 32.880 -0.851 1
1 85 . 20 1 1 A 9 9 HIS N N 9 122.719 119.141 3.578 1
1 86 . 20 1 1 A 10 10 LEU H H 10 9.637 8.528 1.109 1
1 87 . 20 1 1 A 10 10 LEU HA H 10 5.198 5.234 -0.036 1
1 97 . 20 1 1 A 10 10 LEU C C 10 173.565 173.582 -0.017 1
1 98 . 20 1 1 A 10 10 LEU CA C 10 54.377 54.153 0.224 1
1 99 . 20 1 1 A 10 10 LEU CB C 10 46.916 46.191 0.725 1
1 103 . 20 1 1 A 10 10 LEU N N 10 130.516 126.167 4.349 1
1 104 . 20 1 1 A 11 11 HIS H H 11 9.237 9.277 -0.040 1
1 105 . 20 1 1 A 11 11 HIS HA H 11 5.478 5.547 -0.069 1
1 109 . 20 1 1 A 11 11 HIS C C 11 173.559 173.583 -0.024 1
1 110 . 20 1 1 A 11 11 HIS CA C 11 53.302 54.163 -0.861 1
1 111 . 20 1 1 A 11 11 HIS CB C 11 34.638 33.564 1.074 1
1 113 . 20 1 1 A 11 11 HIS N N 11 128.715 126.088 2.627 1
1 114 . 20 1 1 A 12 12 LEU H H 12 9.370 8.956 0.414 1
1 115 . 20 1 1 A 12 12 LEU HA H 12 4.863 5.204 -0.341 1
1 125 . 20 1 1 A 12 12 LEU CA C 12 54.243 53.977 0.266 1
1 126 . 20 1 1 A 12 12 LEU CB C 12 45.047 44.903 0.144 1
1 130 . 20 1 1 A 12 12 LEU N N 12 127.423 126.142 1.281 1
1 131 . 20 1 1 A 13 13 VAL HA H 13 4.847 4.771 0.076 1
1 139 . 20 1 1 A 13 13 VAL CA C 13 60.665 59.968 0.697 1
1 140 . 20 1 1 A 13 13 VAL CB C 13 35.978 35.350 0.628 1
1 143 . 20 1 1 A 14 14 SER H H 14 8.220 8.656 -0.436 1
1 144 . 20 1 1 A 14 14 SER HA H 14 4.563 4.634 -0.071 1
1 147 . 20 1 1 A 14 14 SER CA C 14 58.588 58.271 0.317 1
1 148 . 20 1 1 A 14 14 SER CB C 14 65.442 62.834 2.608 1
1 149 . 20 1 1 A 14 14 SER N N 14 118.092 121.864 -3.772 1
1 150 . 20 1 1 A 15 15 LEU H H 15 8.965 8.583 0.382 1
1 151 . 20 1 1 A 15 15 LEU HA H 15 4.725 5.023 -0.298 1
1 161 . 20 1 1 A 15 15 LEU CA C 15 53.203 51.495 1.708 1
1 162 . 20 1 1 A 15 15 LEU CB C 15 42.658 43.168 -0.510 1
1 166 . 20 1 1 A 15 15 LEU N N 15 124.969 123.709 1.260 1
1 167 . 20 1 1 A 16 16 PRO HA H 16 4.326 4.335 -0.009 1
1 174 . 20 1 1 A 16 16 PRO C C 16 177.551 177.432 0.119 1
1 175 . 20 1 1 A 16 16 PRO CA C 16 64.262 63.255 1.007 1
1 176 . 20 1 1 A 16 16 PRO CB C 16 32.855 30.881 1.974 1
1 179 . 20 1 1 A 17 17 GLY H H 17 8.597 8.361 0.236 1
1 180 . 20 1 1 A 17 17 GLY HA2 H 17 4.091 3.994 0.097 1
1 181 . 20 1 1 A 17 17 GLY HA3 H 17 3.773 3.994 -0.221 1
1 182 . 20 1 1 A 17 17 GLY C C 17 173.908 174.223 -0.315 1
1 183 . 20 1 1 A 17 17 GLY CA C 17 46.155 45.296 0.859 1
1 184 . 20 1 1 A 17 17 GLY N N 17 110.651 113.025 -2.374 1
1 185 . 20 1 1 A 18 18 LEU H H 18 7.998 7.731 0.267 1
1 186 . 20 1 1 A 18 18 LEU HA H 18 4.318 4.669 -0.351 1
1 192 . 20 1 1 A 18 18 LEU CA C 18 56.800 53.826 2.974 1
1 193 . 20 1 1 A 18 18 LEU CB C 18 43.502 41.907 1.595 1
1 195 . 20 1 1 A 18 18 LEU N N 18 122.006 123.053 -1.047 1
1 196 . 20 1 1 A 19 19 ASP HA H 19 4.330 5.073 -0.743 1
1 199 . 20 1 1 A 19 19 ASP CA C 19 56.800 52.845 3.955 1
1 200 . 20 1 1 A 19 19 ASP CB C 19 43.498 41.373 2.125 1
1 201 . 20 1 1 A 20 20 GLN HA H 20 4.248 4.069 0.179 1
1 208 . 20 1 1 A 20 20 GLN CA C 20 56.991 58.745 -1.754 1
1 209 . 20 1 1 A 20 20 GLN CB C 20 31.005 28.957 2.048 1
1 212 . 20 1 1 A 21 21 GLN H H 21 7.823 7.698 0.125 1
1 213 . 20 1 1 A 21 21 GLN HA H 21 4.478 4.854 -0.376 1
1 220 . 20 1 1 A 21 21 GLN C C 21 174.199 174.320 -0.121 1
1 221 . 20 1 1 A 21 21 GLN CA C 21 56.424 54.133 2.291 1
1 222 . 20 1 1 A 21 21 GLN CB C 21 33.930 31.832 2.098 1
1 224 . 20 1 1 A 21 21 GLN N N 21 118.190 113.546 4.644 1
1 226 . 20 1 1 A 22 22 ASP H H 22 8.549 8.622 -0.073 1
1 227 . 20 1 1 A 22 22 ASP HA H 22 4.708 4.896 -0.188 1
1 230 . 20 1 1 A 22 22 ASP C C 22 175.399 176.066 -0.667 1
1 231 . 20 1 1 A 22 22 ASP CA C 22 54.415 54.148 0.267 1
1 232 . 20 1 1 A 22 22 ASP CB C 22 42.744 40.798 1.946 1
1 233 . 20 1 1 A 22 22 ASP N N 22 122.563 121.824 0.739 1
1 234 . 20 1 1 A 23 23 ILE H H 23 8.681 8.960 -0.279 1
1 235 . 20 1 1 A 23 23 ILE HA H 23 4.726 5.104 -0.378 1
1 245 . 20 1 1 A 23 23 ILE C C 23 174.896 175.136 -0.240 1
1 246 . 20 1 1 A 23 23 ILE CA C 23 60.384 59.197 1.187 1
1 247 . 20 1 1 A 23 23 ILE CB C 23 42.843 40.629 2.214 1
1 251 . 20 1 1 A 23 23 ILE N N 23 121.642 118.959 2.683 1
1 252 . 20 1 1 A 24 24 ASN H H 24 8.224 9.062 -0.838 1
1 253 . 20 1 1 A 24 24 ASN HA H 24 5.252 5.695 -0.443 1
1 258 . 20 1 1 A 24 24 ASN C C 24 174.672 173.662 1.010 1
1 259 . 20 1 1 A 24 24 ASN CA C 24 54.262 52.384 1.878 1
1 260 . 20 1 1 A 24 24 ASN CB C 24 40.495 41.907 -1.412 1
1 261 . 20 1 1 A 24 24 ASN N N 24 124.418 120.000 4.418 1
1 263 . 20 1 1 A 25 25 ILE H H 25 9.453 9.086 0.367 1
1 264 . 20 1 1 A 25 25 ILE HA H 25 4.896 4.776 0.120 1
1 274 . 20 1 1 A 25 25 ILE C C 25 173.645 174.906 -1.261 1
1 275 . 20 1 1 A 25 25 ILE CA C 25 61.580 60.435 1.145 1
1 276 . 20 1 1 A 25 25 ILE CB C 25 44.146 40.688 3.458 1
1 280 . 20 1 1 A 25 25 ILE N N 25 122.056 124.401 -2.345 1
1 281 . 20 1 1 A 26 26 HIS H H 26 9.716 8.732 0.984 1
1 282 . 20 1 1 A 26 26 HIS HA H 26 5.404 5.406 -0.002 1
1 286 . 20 1 1 A 26 26 HIS C C 26 175.078 174.469 0.609 1
1 287 . 20 1 1 A 26 26 HIS CA C 26 55.881 54.807 1.074 1
1 288 . 20 1 1 A 26 26 HIS CB C 26 32.829 31.952 0.877 1
1 290 . 20 1 1 A 26 26 HIS N N 26 126.720 125.440 1.280 1
1 291 . 20 1 1 A 27 27 ILE H H 27 9.935 9.061 0.874 1
1 292 . 20 1 1 A 27 27 ILE HA H 27 5.096 4.690 0.406 1
1 302 . 20 1 1 A 27 27 ILE C C 27 174.860 174.262 0.598 1
1 303 . 20 1 1 A 27 27 ILE CA C 27 61.915 60.527 1.388 1
1 304 . 20 1 1 A 27 27 ILE CB C 27 40.667 39.534 1.133 1
1 308 . 20 1 1 A 27 27 ILE N N 27 123.352 123.832 -0.480 1
1 309 . 20 1 1 A 28 28 ARG H H 28 9.315 9.293 0.022 1
1 310 . 20 1 1 A 28 28 ARG HA H 28 5.621 5.089 0.532 1
1 317 . 20 1 1 A 28 28 ARG C C 28 175.573 175.069 0.504 1
1 318 . 20 1 1 A 28 28 ARG CA C 28 54.904 54.779 0.125 1
1 319 . 20 1 1 A 28 28 ARG CB C 28 33.782 32.059 1.723 1
1 322 . 20 1 1 A 28 28 ARG N N 28 127.731 129.571 -1.840 1
1 323 . 20 1 1 A 29 29 TYR H H 29 7.656 8.411 -0.755 1
1 324 . 20 1 1 A 29 29 TYR HA H 29 5.831 5.640 0.191 1
1 331 . 20 1 1 A 29 29 TYR C C 29 173.770 173.683 0.087 1
1 332 . 20 1 1 A 29 29 TYR CA C 29 55.377 55.538 -0.161 1
1 333 . 20 1 1 A 29 29 TYR CB C 29 43.035 42.221 0.814 1
1 338 . 20 1 1 A 29 29 TYR N N 29 117.229 121.683 -4.454 1
1 339 . 20 1 1 A 30 30 GLU H H 30 8.323 8.468 -0.145 1
1 340 . 20 1 1 A 30 30 GLU HA H 30 4.381 4.817 -0.436 1
1 345 . 20 1 1 A 30 30 GLU C C 30 173.976 175.206 -1.230 1
1 346 . 20 1 1 A 30 30 GLU CA C 30 55.235 54.924 0.311 1
1 347 . 20 1 1 A 30 30 GLU CB C 30 34.494 32.007 2.487 1
1 349 . 20 1 1 A 30 30 GLU N N 30 117.003 120.814 -3.811 1
1 350 . 20 1 1 A 31 31 VAL H H 31 8.957 8.540 0.417 1
1 351 . 20 1 1 A 31 31 VAL HA H 31 4.262 4.162 0.100 1
1 359 . 20 1 1 A 31 31 VAL C C 31 175.045 175.365 -0.320 1
1 360 . 20 1 1 A 31 31 VAL CA C 31 63.418 61.997 1.421 1
1 361 . 20 1 1 A 31 31 VAL CB C 31 32.211 31.348 0.863 1
1 364 . 20 1 1 A 31 31 VAL N N 31 125.299 125.485 -0.186 1
1 365 . 20 1 1 A 32 32 ARG H H 32 8.550 8.122 0.428 1
1 366 . 20 1 1 A 32 32 ARG HA H 32 4.408 4.708 -0.300 1
1 373 . 20 1 1 A 32 32 ARG C C 32 173.222 174.107 -0.885 1
1 374 . 20 1 1 A 32 32 ARG CA C 32 55.048 54.855 0.193 1
1 375 . 20 1 1 A 32 32 ARG CB C 32 34.646 34.278 0.368 1
1 378 . 20 1 1 A 32 32 ARG N N 32 128.345 126.846 1.499 1
1 379 . 20 1 1 A 33 33 GLN H H 33 8.148 8.554 -0.406 1
1 380 . 20 1 1 A 33 33 GLN HA H 33 4.697 5.286 -0.589 1
1 387 . 20 1 1 A 33 33 GLN C C 33 175.419 175.484 -0.065 1
1 388 . 20 1 1 A 33 33 GLN CA C 33 55.943 54.809 1.134 1
1 389 . 20 1 1 A 33 33 GLN CB C 33 31.679 30.646 1.033 1
1 391 . 20 1 1 A 33 33 GLN N N 33 116.088 121.610 -5.522 1
1 393 . 20 1 1 A 34 34 ASN H H 34 8.323 8.916 -0.593 1
1 394 . 20 1 1 A 34 34 ASN HA H 34 4.825 5.134 -0.309 1
1 399 . 20 1 1 A 34 34 ASN CA C 34 53.468 51.613 1.855 1
1 400 . 20 1 1 A 34 34 ASN CB C 34 41.559 39.762 1.797 1
1 401 . 20 1 1 A 34 34 ASN N N 34 121.088 122.582 -1.494 1
1 403 . 20 1 1 A 35 35 ALA HA H 35 4.099 4.032 0.067 1
1 407 . 20 1 1 A 35 35 ALA C C 35 178.472 179.267 -0.795 1
1 408 . 20 1 1 A 35 35 ALA CA C 35 55.591 54.532 1.059 1
1 409 . 20 1 1 A 35 35 ALA CB C 35 19.600 18.418 1.182 1
1 410 . 20 1 1 A 36 36 GLU H H 36 8.362 7.948 0.414 1
1 411 . 20 1 1 A 36 36 GLU HA H 36 4.263 4.085 0.178 1
1 416 . 20 1 1 A 36 36 GLU C C 36 177.727 177.693 0.034 1
1 417 . 20 1 1 A 36 36 GLU CA C 36 59.010 58.963 0.047 1
1 418 . 20 1 1 A 36 36 GLU CB C 36 31.059 30.247 0.812 1
1 420 . 20 1 1 A 36 36 GLU N N 36 116.669 119.591 -2.922 1
1 421 . 20 1 1 A 37 37 SER H H 37 8.338 8.050 0.288 1
1 422 . 20 1 1 A 37 37 SER HA H 37 4.515 4.693 -0.178 1
1 425 . 20 1 1 A 37 37 SER C C 37 175.134 175.207 -0.073 1
1 426 . 20 1 1 A 37 37 SER CA C 37 59.568 58.411 1.157 1
1 427 . 20 1 1 A 37 37 SER CB C 37 65.114 65.410 -0.296 1
1 428 . 20 1 1 A 37 37 SER N N 37 111.971 111.972 -0.001 1
1 429 . 20 1 1 A 38 38 GLY H H 38 8.098 7.699 0.399 1
1 430 . 20 1 1 A 38 38 GLY HA2 H 38 4.294 4.041 0.253 1
1 431 . 20 1 1 A 38 38 GLY HA3 H 38 3.975 4.047 -0.072 1
1 432 . 20 1 1 A 38 38 GLY C C 38 173.759 173.873 -0.114 1
1 433 . 20 1 1 A 38 38 GLY CA C 38 45.904 45.471 0.433 1
1 434 . 20 1 1 A 38 38 GLY N N 38 111.508 108.150 3.358 1
1 435 . 20 1 1 A 39 39 ALA H H 39 8.450 8.139 0.311 1
1 436 . 20 1 1 A 39 39 ALA HA H 39 4.902 4.646 0.256 1
1 440 . 20 1 1 A 39 39 ALA C C 39 177.193 177.081 0.112 1
1 441 . 20 1 1 A 39 39 ALA CA C 39 52.880 52.221 0.659 1
1 442 . 20 1 1 A 39 39 ALA CB C 39 20.714 19.649 1.065 1
1 443 . 20 1 1 A 39 39 ALA N N 39 124.210 126.247 -2.037 1
1 444 . 20 1 1 A 40 40 TYR H H 40 8.854 8.517 0.337 1
1 445 . 20 1 1 A 40 40 TYR HA H 40 4.796 5.300 -0.504 1
1 452 . 20 1 1 A 40 40 TYR C C 40 171.595 172.778 -1.183 1
1 453 . 20 1 1 A 40 40 TYR CA C 40 56.552 55.943 0.609 1
1 454 . 20 1 1 A 40 40 TYR CB C 40 41.319 40.879 0.440 1
1 459 . 20 1 1 A 40 40 TYR N N 40 118.580 117.007 1.573 1
1 460 . 20 1 1 A 41 41 VAL H H 41 9.275 8.305 0.970 1
1 461 . 20 1 1 A 41 41 VAL HA H 41 4.430 4.450 -0.020 1
1 469 . 20 1 1 A 41 41 VAL C C 41 174.098 173.355 0.743 1
1 470 . 20 1 1 A 41 41 VAL CA C 41 61.566 60.479 1.087 1
1 471 . 20 1 1 A 41 41 VAL CB C 41 33.852 34.555 -0.703 1
1 474 . 20 1 1 A 41 41 VAL N N 41 118.445 118.855 -0.410 1
1 475 . 20 1 1 A 42 42 HIS H H 42 8.789 8.559 0.230 1
1 476 . 20 1 1 A 42 42 HIS HA H 42 4.814 4.756 0.058 1
1 480 . 20 1 1 A 42 42 HIS C C 42 172.353 173.117 -0.764 1
1 481 . 20 1 1 A 42 42 HIS CA C 42 56.537 55.623 0.914 1
1 482 . 20 1 1 A 42 42 HIS CB C 42 31.587 31.194 0.393 1
1 484 . 20 1 1 A 42 42 HIS N N 42 125.741 126.555 -0.814 1
1 485 . 20 1 1 A 43 43 PHE H H 43 8.604 8.718 -0.114 1
1 486 . 20 1 1 A 43 43 PHE HA H 43 4.933 5.033 -0.100 1
1 494 . 20 1 1 A 43 43 PHE C C 43 174.119 174.041 0.078 1
1 495 . 20 1 1 A 43 43 PHE CA C 43 56.591 56.643 -0.052 1
1 496 . 20 1 1 A 43 43 PHE CB C 43 41.053 40.316 0.737 1
1 502 . 20 1 1 A 43 43 PHE N N 43 125.631 126.212 -0.581 1
1 503 . 20 1 1 A 44 44 ASP H H 44 9.322 9.097 0.225 1
1 504 . 20 1 1 A 44 44 ASP HA H 44 5.187 5.437 -0.250 1
1 507 . 20 1 1 A 44 44 ASP C C 44 175.076 174.743 0.333 1
1 508 . 20 1 1 A 44 44 ASP CA C 44 55.145 52.976 2.169 1
1 509 . 20 1 1 A 44 44 ASP CB C 44 45.197 43.874 1.323 1
1 510 . 20 1 1 A 44 44 ASP N N 44 121.184 123.218 -2.034 1
1 511 . 20 1 1 A 45 45 MET H H 45 9.110 9.302 -0.192 1
1 512 . 20 1 1 A 45 45 MET HA H 45 5.765 6.065 -0.300 1
1 520 . 20 1 1 A 45 45 MET C C 45 173.254 174.625 -1.371 1
1 521 . 20 1 1 A 45 45 MET CA C 45 54.810 54.032 0.778 1
1 522 . 20 1 1 A 45 45 MET CB C 45 38.632 36.884 1.748 1
1 525 . 20 1 1 A 45 45 MET N N 45 121.976 124.715 -2.739 1
1 526 . 20 1 1 A 46 46 ASP H H 46 8.763 8.573 0.190 1
1 527 . 20 1 1 A 46 46 ASP HA H 46 4.373 5.118 -0.745 1
1 530 . 20 1 1 A 46 46 ASP C C 46 173.396 173.886 -0.490 1
1 531 . 20 1 1 A 46 46 ASP CA C 46 53.810 52.416 1.394 1
1 532 . 20 1 1 A 46 46 ASP CB C 46 44.722 43.842 0.880 1
1 533 . 20 1 1 A 46 46 ASP N N 46 121.797 120.149 1.648 1
1 534 . 20 1 1 A 47 47 GLY H H 47 7.154 7.128 0.026 1
1 535 . 20 1 1 A 47 47 GLY HA2 H 47 5.075 3.710 1.365 1
1 536 . 20 1 1 A 47 47 GLY HA3 H 47 3.927 3.816 0.111 1
1 537 . 20 1 1 A 47 47 GLY C C 47 172.328 171.527 0.801 1
1 538 . 20 1 1 A 47 47 GLY CA C 47 45.820 45.290 0.530 1
1 539 . 20 1 1 A 47 47 GLY N N 47 105.470 105.003 0.467 1
1 540 . 20 1 1 A 48 48 GLU H H 48 9.100 8.724 0.376 1
1 541 . 20 1 1 A 48 48 GLU HA H 48 5.257 5.692 -0.435 1
1 546 . 20 1 1 A 48 48 GLU C C 48 175.019 174.469 0.550 1
1 547 . 20 1 1 A 48 48 GLU CA C 48 56.247 54.920 1.327 1
1 548 . 20 1 1 A 48 48 GLU CB C 48 35.076 32.103 2.973 1
1 550 . 20 1 1 A 48 48 GLU N N 48 119.799 116.762 3.037 1
1 551 . 20 1 1 A 49 49 ILE H H 49 7.945 8.496 -0.551 1
1 552 . 20 1 1 A 49 49 ILE HA H 49 4.540 4.838 -0.298 1
1 562 . 20 1 1 A 49 49 ILE C C 49 176.382 176.069 0.313 1
1 563 . 20 1 1 A 49 49 ILE CA C 49 61.321 59.970 1.351 1
1 564 . 20 1 1 A 49 49 ILE CB C 49 41.847 39.094 2.753 1
1 568 . 20 1 1 A 49 49 ILE N N 49 120.718 126.078 -5.360 1
1 569 . 20 1 1 A 50 50 ASP H H 50 10.048 9.268 0.780 1
1 570 . 20 1 1 A 50 50 ASP HA H 50 4.522 4.499 0.023 1
1 573 . 20 1 1 A 50 50 ASP C C 50 176.193 175.738 0.455 1
1 574 . 20 1 1 A 50 50 ASP CA C 50 56.872 56.081 0.791 1
1 575 . 20 1 1 A 50 50 ASP CB C 50 40.754 40.838 -0.084 1
1 576 . 20 1 1 A 50 50 ASP N N 50 130.256 126.589 3.667 1
1 577 . 20 1 1 A 51 51 GLY H H 51 9.048 7.975 1.073 1
1 578 . 20 1 1 A 51 51 GLY HA2 H 51 4.126 4.167 -0.041 1
1 579 . 20 1 1 A 51 51 GLY HA3 H 51 3.660 4.170 -0.510 1
1 580 . 20 1 1 A 51 51 GLY C C 51 173.935 173.281 0.654 1
1 581 . 20 1 1 A 51 51 GLY CA C 51 46.194 45.715 0.479 1
1 582 . 20 1 1 A 51 51 GLY N N 51 103.446 106.422 -2.976 1
1 583 . 20 1 1 A 52 52 LYS H H 52 7.905 7.790 0.115 1
1 584 . 20 1 1 A 52 52 LYS HA H 52 5.014 4.862 0.152 1
1 593 . 20 1 1 A 52 52 LYS CA C 52 53.809 53.204 0.605 1
1 594 . 20 1 1 A 52 52 LYS CB C 52 33.788 34.171 -0.383 1
1 598 . 20 1 1 A 52 52 LYS N N 52 122.692 120.863 1.829 1
1 599 . 20 1 1 A 53 53 PRO HA H 53 5.523 5.141 0.382 1
1 606 . 20 1 1 A 53 53 PRO C C 53 176.300 176.641 -0.341 1
1 607 . 20 1 1 A 53 53 PRO CA C 53 62.896 62.582 0.314 1
1 608 . 20 1 1 A 53 53 PRO CB C 53 33.920 32.417 1.503 1
1 611 . 20 1 1 A 54 54 PHE H H 54 8.643 8.537 0.106 1
1 612 . 20 1 1 A 54 54 PHE HA H 54 4.907 5.387 -0.480 1
1 620 . 20 1 1 A 54 54 PHE C C 54 172.840 173.452 -0.612 1
1 621 . 20 1 1 A 54 54 PHE CA C 54 57.173 55.376 1.797 1
1 622 . 20 1 1 A 54 54 PHE CB C 54 43.620 42.460 1.160 1
1 628 . 20 1 1 A 54 54 PHE N N 54 117.436 118.910 -1.474 1
1 629 . 20 1 1 A 55 55 SER H H 55 8.009 9.142 -1.133 1
1 630 . 20 1 1 A 55 55 SER HA H 55 4.822 5.390 -0.568 1
1 633 . 20 1 1 A 55 55 SER C C 55 172.856 172.467 0.389 1
1 634 . 20 1 1 A 55 55 SER CA C 55 58.238 56.728 1.510 1
1 635 . 20 1 1 A 55 55 SER CB C 55 66.163 65.363 0.800 1
1 636 . 20 1 1 A 55 55 SER N N 55 113.907 114.846 -0.939 1
1 637 . 20 1 1 A 56 56 ASP H H 56 9.593 9.215 0.378 1
1 638 . 20 1 1 A 56 56 ASP HA H 56 4.985 5.668 -0.683 1
1 641 . 20 1 1 A 56 56 ASP C C 56 175.049 174.435 0.614 1
1 642 . 20 1 1 A 56 56 ASP CA C 56 54.043 52.917 1.126 1
1 643 . 20 1 1 A 56 56 ASP CB C 56 46.425 44.977 1.448 1
1 644 . 20 1 1 A 56 56 ASP N N 56 125.145 125.649 -0.504 1
1 645 . 20 1 1 A 57 57 SER H H 57 10.207 8.857 1.350 1
1 646 . 20 1 1 A 57 57 SER HA H 57 5.383 5.626 -0.243 1
1 649 . 20 1 1 A 57 57 SER C C 57 172.452 173.726 -1.274 1
1 650 . 20 1 1 A 57 57 SER CA C 57 59.008 56.969 2.039 1
1 651 . 20 1 1 A 57 57 SER CB C 57 67.802 65.980 1.822 1
1 652 . 20 1 1 A 57 57 SER N N 57 115.172 119.447 -4.275 1
1 653 . 20 1 1 A 58 58 PHE H H 58 8.623 8.700 -0.077 1
1 654 . 20 1 1 A 58 58 PHE HA H 58 4.904 5.665 -0.761 1
1 662 . 20 1 1 A 58 58 PHE C C 58 172.447 173.066 -0.619 1
1 663 . 20 1 1 A 58 58 PHE CA C 58 57.781 55.264 2.517 1
1 664 . 20 1 1 A 58 58 PHE CB C 58 40.736 42.889 -2.153 1
1 670 . 20 1 1 A 58 58 PHE N N 58 115.065 118.685 -3.620 1
1 671 . 20 1 1 A 59 59 GLU H H 59 8.721 8.926 -0.205 1
1 672 . 20 1 1 A 59 59 GLU HA H 59 5.595 5.374 0.221 1
1 677 . 20 1 1 A 59 59 GLU C C 59 175.836 175.613 0.223 1
1 678 . 20 1 1 A 59 59 GLU CA C 59 55.290 55.263 0.027 1
1 679 . 20 1 1 A 59 59 GLU CB C 59 34.345 33.109 1.236 1
1 681 . 20 1 1 A 59 59 GLU N N 59 118.122 119.573 -1.451 1
1 682 . 20 1 1 A 60 60 LEU H H 60 9.016 8.874 0.142 1
1 683 . 20 1 1 A 60 60 LEU HA H 60 5.221 5.012 0.209 1
1 693 . 20 1 1 A 60 60 LEU CA C 60 52.275 51.102 1.173 1
1 694 . 20 1 1 A 60 60 LEU CB C 60 46.774 46.031 0.743 1
1 698 . 20 1 1 A 60 60 LEU N N 60 121.299 124.729 -3.430 1
1 699 . 20 1 1 A 61 61 PRO HA H 61 4.614 4.671 -0.057 1
1 706 . 20 1 1 A 61 61 PRO C C 61 176.316 177.877 -1.561 1
1 707 . 20 1 1 A 61 61 PRO CA C 61 62.719 62.899 -0.180 1
1 708 . 20 1 1 A 61 61 PRO CB C 61 33.758 32.656 1.102 1
1 711 . 20 1 1 A 62 62 ARG H H 62 8.017 8.586 -0.569 1
1 712 . 20 1 1 A 62 62 ARG HA H 62 3.738 3.901 -0.163 1
1 719 . 20 1 1 A 62 62 ARG C C 62 176.976 176.874 0.102 1
1 720 . 20 1 1 A 62 62 ARG CA C 62 60.653 58.995 1.658 1
1 721 . 20 1 1 A 62 62 ARG CB C 62 31.549 29.707 1.842 1
1 724 . 20 1 1 A 62 62 ARG N N 62 118.159 122.869 -4.710 1
1 725 . 20 1 1 A 63 63 ASP H H 63 8.665 8.123 0.542 1
1 726 . 20 1 1 A 63 63 ASP HA H 63 4.484 4.649 -0.165 1
1 729 . 20 1 1 A 63 63 ASP C C 63 177.483 177.445 0.038 1
1 730 . 20 1 1 A 63 63 ASP CA C 63 57.335 56.128 1.207 1
1 731 . 20 1 1 A 63 63 ASP CB C 63 41.410 41.469 -0.059 1
1 732 . 20 1 1 A 63 63 ASP N N 63 113.726 118.647 -4.921 1
1 733 . 20 1 1 A 64 64 THR H H 64 7.553 7.879 -0.326 1
1 734 . 20 1 1 A 64 64 THR HA H 64 4.562 4.755 -0.193 1
1 739 . 20 1 1 A 64 64 THR C C 64 175.654 175.452 0.202 1
1 740 . 20 1 1 A 64 64 THR CA C 64 61.499 61.238 0.261 1
1 741 . 20 1 1 A 64 64 THR CB C 64 69.606 70.423 -0.817 1
1 743 . 20 1 1 A 64 64 THR N N 64 107.855 106.830 1.025 1
1 744 . 20 1 1 A 65 65 ALA H H 65 7.406 7.895 -0.489 1
1 745 . 20 1 1 A 65 65 ALA HA H 65 4.012 4.239 -0.227 1
1 749 . 20 1 1 A 65 65 ALA C C 65 176.820 179.596 -2.776 1
1 750 . 20 1 1 A 65 65 ALA CA C 65 55.939 54.986 0.953 1
1 751 . 20 1 1 A 65 65 ALA CB C 65 19.454 18.057 1.397 1
1 752 . 20 1 1 A 65 65 ALA N N 65 123.777 126.087 -2.310 1
1 753 . 20 1 1 A 66 66 PHE H H 66 7.583 7.731 -0.148 1
1 754 . 20 1 1 A 66 66 PHE HA H 66 4.381 4.653 -0.272 1
1 762 . 20 1 1 A 66 66 PHE C C 66 176.104 177.334 -1.230 1
1 763 . 20 1 1 A 66 66 PHE CA C 66 58.836 60.998 -2.162 1
1 764 . 20 1 1 A 66 66 PHE CB C 66 37.740 38.074 -0.334 1
1 770 . 20 1 1 A 66 66 PHE N N 66 110.346 115.668 -5.322 1
1 771 . 20 1 1 A 67 67 ASN H H 67 7.984 8.253 -0.269 1
1 772 . 20 1 1 A 67 67 ASN HA H 67 4.848 4.859 -0.011 1
1 777 . 20 1 1 A 67 67 ASN C C 67 175.700 176.726 -1.026 1
1 778 . 20 1 1 A 67 67 ASN CA C 67 53.469 53.830 -0.361 1
1 779 . 20 1 1 A 67 67 ASN CB C 67 38.836 39.279 -0.443 1
1 780 . 20 1 1 A 67 67 ASN N N 67 120.591 118.656 1.935 1
1 782 . 20 1 1 A 68 68 PHE H H 68 7.218 7.949 -0.731 1
1 783 . 20 1 1 A 68 68 PHE HA H 68 4.054 4.193 -0.139 1
1 790 . 20 1 1 A 68 68 PHE C C 68 174.796 177.308 -2.512 1
1 791 . 20 1 1 A 68 68 PHE CA C 68 60.849 60.603 0.246 1
1 792 . 20 1 1 A 68 68 PHE CB C 68 40.263 37.231 3.032 1
1 797 . 20 1 1 A 68 68 PHE N N 68 115.915 117.919 -2.004 1
1 798 . 20 1 1 A 69 69 ALA H H 69 7.780 7.680 0.100 1
1 799 . 20 1 1 A 69 69 ALA HA H 69 3.484 3.459 0.025 1
1 803 . 20 1 1 A 69 69 ALA C C 69 180.022 179.372 0.650 1
1 804 . 20 1 1 A 69 69 ALA CA C 69 56.283 54.606 1.677 1
1 805 . 20 1 1 A 69 69 ALA CB C 69 18.935 17.733 1.202 1
1 806 . 20 1 1 A 69 69 ALA N N 69 124.604 123.565 1.039 1
1 807 . 20 1 1 A 70 70 SER H H 70 7.852 7.765 0.087 1
1 808 . 20 1 1 A 70 70 SER HA H 70 4.061 4.049 0.012 1
1 811 . 20 1 1 A 70 70 SER C C 70 177.054 175.949 1.105 1
1 812 . 20 1 1 A 70 70 SER CA C 70 62.085 61.775 0.310 1
1 813 . 20 1 1 A 70 70 SER CB C 70 62.976 63.123 -0.147 1
1 814 . 20 1 1 A 70 70 SER N N 70 114.973 114.416 0.557 1
1 815 . 20 1 1 A 71 71 ASP H H 71 7.602 8.222 -0.620 1
1 816 . 20 1 1 A 71 71 ASP HA H 71 4.012 4.160 -0.148 1
1 819 . 20 1 1 A 71 71 ASP C C 71 177.086 177.644 -0.558 1
1 820 . 20 1 1 A 71 71 ASP CA C 71 58.501 56.699 1.802 1
1 821 . 20 1 1 A 71 71 ASP CB C 71 42.006 40.581 1.425 1
1 822 . 20 1 1 A 71 71 ASP N N 71 123.211 121.884 1.327 1
1 823 . 20 1 1 A 72 72 ALA H H 72 8.406 8.258 0.148 1
1 824 . 20 1 1 A 72 72 ALA HA H 72 3.671 4.237 -0.566 1
1 828 . 20 1 1 A 72 72 ALA C C 72 179.377 179.862 -0.485 1
1 829 . 20 1 1 A 72 72 ALA CA C 72 55.717 55.156 0.561 1
1 830 . 20 1 1 A 72 72 ALA CB C 72 18.658 18.770 -0.112 1
1 831 . 20 1 1 A 72 72 ALA N N 72 119.793 121.521 -1.728 1
1 832 . 20 1 1 A 73 73 THR H H 73 7.631 7.617 0.014 1
1 833 . 20 1 1 A 73 73 THR HA H 73 3.562 3.900 -0.338 1
1 838 . 20 1 1 A 73 73 THR C C 73 175.072 176.256 -1.184 1
1 839 . 20 1 1 A 73 73 THR CA C 73 68.525 66.003 2.522 1
1 840 . 20 1 1 A 73 73 THR CB C 73 69.564 68.531 1.033 1
1 842 . 20 1 1 A 73 73 THR N N 73 114.702 113.412 1.290 1
1 843 . 20 1 1 A 74 74 ARG H H 74 7.629 7.797 -0.168 1
1 844 . 20 1 1 A 74 74 ARG HA H 74 3.795 3.934 -0.139 1
1 851 . 20 1 1 A 74 74 ARG C C 74 176.832 178.648 -1.816 1
1 852 . 20 1 1 A 74 74 ARG CA C 74 60.580 58.985 1.595 1
1 853 . 20 1 1 A 74 74 ARG CB C 74 30.409 29.737 0.672 1
1 856 . 20 1 1 A 74 74 ARG N N 74 122.528 120.783 1.745 1
1 857 . 20 1 1 A 75 75 VAL H H 75 8.008 8.386 -0.378 1
1 858 . 20 1 1 A 75 75 VAL HA H 75 3.439 3.518 -0.079 1
1 866 . 20 1 1 A 75 75 VAL C C 75 177.802 178.055 -0.253 1
1 867 . 20 1 1 A 75 75 VAL CA C 75 67.492 66.308 1.184 1
1 868 . 20 1 1 A 75 75 VAL CB C 75 32.220 31.423 0.797 1
1 871 . 20 1 1 A 75 75 VAL N N 75 120.044 119.535 0.509 1
1 872 . 20 1 1 A 76 76 ALA H H 76 8.092 8.198 -0.106 1
1 873 . 20 1 1 A 76 76 ALA HA H 76 3.537 3.812 -0.275 1
1 877 . 20 1 1 A 76 76 ALA C C 76 180.078 179.652 0.426 1
1 878 . 20 1 1 A 76 76 ALA CA C 76 56.194 55.556 0.638 1
1 879 . 20 1 1 A 76 76 ALA CB C 76 18.882 17.756 1.126 1
1 880 . 20 1 1 A 76 76 ALA N N 76 120.726 122.148 -1.422 1
1 881 . 20 1 1 A 77 77 GLN H H 77 8.432 8.031 0.401 1
1 882 . 20 1 1 A 77 77 GLN HA H 77 4.428 4.028 0.400 1
1 885 . 20 1 1 A 77 77 GLN CA C 77 58.987 58.369 0.618 1
1 887 . 20 1 1 A 77 77 GLN N N 77 118.235 116.018 2.217 1
1 888 . 20 1 1 A 78 78 LYS H H 78 7.655 7.747 -0.092 1
1 889 . 20 1 1 A 78 78 LYS HA H 78 3.874 3.973 -0.099 1
1 898 . 20 1 1 A 78 78 LYS C C 78 177.044 179.248 -2.204 1
1 899 . 20 1 1 A 78 78 LYS CA C 78 59.393 58.925 0.468 1
1 900 . 20 1 1 A 78 78 LYS CB C 78 32.583 31.967 0.616 1
1 904 . 20 1 1 A 78 78 LYS N N 78 121.797 119.101 2.696 1
1 905 . 20 1 1 A 79 79 HIS H H 79 6.888 7.132 -0.244 1
1 906 . 20 1 1 A 79 79 HIS HA H 79 4.501 4.285 0.216 1
1 909 . 20 1 1 A 79 79 HIS C C 79 174.191 175.529 -1.338 1
1 910 . 20 1 1 A 79 79 HIS CA C 79 56.166 57.359 -1.193 1
1 911 . 20 1 1 A 79 79 HIS CB C 79 30.993 29.858 1.135 1
1 912 . 20 1 1 A 79 79 HIS N N 79 115.368 115.274 0.094 1
1 913 . 20 1 1 A 80 80 GLY H H 80 7.159 7.343 -0.184 1
1 914 . 20 1 1 A 80 80 GLY HA2 H 80 4.433 3.975 0.458 1
1 915 . 20 1 1 A 80 80 GLY HA3 H 80 3.541 3.992 -0.451 1
1 916 . 20 1 1 A 80 80 GLY C C 80 175.246 173.129 2.117 1
1 917 . 20 1 1 A 80 80 GLY CA C 80 45.823 45.484 0.339 1
1 918 . 20 1 1 A 80 80 GLY N N 80 104.319 105.766 -1.447 1
1 919 . 20 1 1 A 81 81 LEU H H 81 7.962 8.782 -0.820 1
1 920 . 20 1 1 A 81 81 LEU HA H 81 4.012 5.124 -1.112 1
1 930 . 20 1 1 A 81 81 LEU CA C 81 56.383 53.519 2.864 1
1 931 . 20 1 1 A 81 81 LEU CB C 81 43.506 45.979 -2.473 1
1 935 . 20 1 1 A 81 81 LEU N N 81 124.945 124.331 0.614 1
1 936 . 20 1 1 A 83 83 PRO HA H 83 4.248 4.185 0.063 1
1 943 . 20 1 1 A 83 83 PRO CA C 83 65.606 65.679 -0.073 1
1 944 . 20 1 1 A 83 83 PRO CB C 83 32.805 31.379 1.426 1
1 947 . 20 1 1 A 84 84 LYS HA H 84 4.132 3.941 0.191 1
1 956 . 20 1 1 A 84 84 LYS CA C 84 59.351 57.923 1.428 1
1 957 . 20 1 1 A 84 84 LYS CB C 84 33.109 31.775 1.334 1
1 961 . 20 1 1 A 85 85 PHE HA H 85 3.941 4.221 -0.280 1
1 964 . 20 1 1 A 85 85 PHE CA C 85 59.693 60.302 -0.609 1
1 965 . 20 1 1 A 85 85 PHE CB C 85 39.968 38.786 1.182 1
1 966 . 20 1 1 A 86 86 GLY HA2 H 86 3.721 3.688 0.033 1
1 967 . 20 1 1 A 86 86 GLY HA3 H 86 3.659 3.706 -0.047 1
1 968 . 20 1 1 A 86 86 GLY CA C 86 44.471 47.116 -2.645 1
1 969 . 20 1 1 A 87 87 ALA HA H 87 4.274 4.867 -0.593 1
1 973 . 20 1 1 A 87 87 ALA CA C 87 53.390 49.975 3.415 1
1 974 . 20 1 1 A 87 87 ALA CB C 87 20.262 21.852 -1.590 1
1 975 . 20 1 1 A 88 88 ILE HA H 88 4.015 3.871 0.144 1
1 985 . 20 1 1 A 88 88 ILE CA C 88 63.697 63.763 -0.066 1
1 986 . 20 1 1 A 88 88 ILE CB C 88 38.931 37.472 1.459 1
1 990 . 20 1 1 A 89 89 THR HA H 89 4.224 4.097 0.127 1
1 994 . 20 1 1 A 89 89 THR CA C 89 63.088 65.402 -2.314 1
1 996 . 20 1 1 A 90 90 ARG HA H 90 4.105 4.131 -0.026 1
1 1003 . 20 1 1 A 90 90 ARG CA C 90 58.412 58.627 -0.215 1
1 1004 . 20 1 1 A 90 90 ARG CB C 90 30.907 31.331 -0.424 1
1 1007 . 20 1 1 A 91 91 VAL HA H 91 4.047 4.640 -0.593 1
1 1015 . 20 1 1 A 91 91 VAL C C 91 175.627 174.671 0.956 1
1 1016 . 20 1 1 A 91 91 VAL CA C 91 62.923 58.968 3.955 1
1 1017 . 20 1 1 A 91 91 VAL CB C 91 32.060 35.003 -2.943 1
1 1020 . 20 1 1 A 92 92 HIS HA H 92 4.567 4.684 -0.117 1
1 1023 . 20 1 1 A 92 92 HIS CA C 92 57.021 55.651 1.370 1
1 1024 . 20 1 1 A 92 92 HIS CB C 92 31.579 28.432 3.147 1
1 1025 . 20 1 1 A 93 93 LYS H H 93 8.490 8.270 0.220 1
1 1026 . 20 1 1 A 93 93 LYS HA H 93 4.149 4.479 -0.330 1
1 1035 . 20 1 1 A 93 93 LYS CA C 93 58.472 54.995 3.477 1
1 1036 . 20 1 1 A 93 93 LYS CB C 93 32.632 32.126 0.506 1
1 1040 . 20 1 1 A 93 93 LYS N N 93 123.001 125.221 -2.220 1
1 1041 . 20 1 1 A 94 94 GLU HA H 94 4.265 4.047 0.218 1
1 1046 . 20 1 1 A 94 94 GLU CA C 94 57.682 57.614 0.068 1
1 1047 . 20 1 1 A 94 94 GLU CB C 94 30.952 26.708 4.244 1
1 1049 . 20 1 1 A 95 95 TYR HA H 95 4.205 4.409 -0.204 1
1 1056 . 20 1 1 A 95 95 TYR C C 95 176.555 177.165 -0.610 1
1 1057 . 20 1 1 A 95 95 TYR CA C 95 60.582 61.167 -0.585 1
1 1058 . 20 1 1 A 95 95 TYR CB C 95 39.000 39.033 -0.033 1
1 1063 . 20 1 1 A 96 96 ASP H H 96 8.104 8.337 -0.233 1
1 1064 . 20 1 1 A 96 96 ASP HA H 96 4.252 4.117 0.135 1
1 1067 . 20 1 1 A 96 96 ASP CA C 96 58.583 57.610 0.973 1
1 1068 . 20 1 1 A 96 96 ASP CB C 96 41.058 42.047 -0.989 1
1 1069 . 20 1 1 A 96 96 ASP N N 96 120.068 119.687 0.381 1
1 1070 . 20 1 1 A 97 97 ALA HA H 97 3.964 4.083 -0.119 1
1 1074 . 20 1 1 A 97 97 ALA C C 97 179.912 179.468 0.444 1
1 1075 . 20 1 1 A 97 97 ALA CA C 97 55.582 55.145 0.437 1
1 1076 . 20 1 1 A 97 97 ALA CB C 97 18.849 18.055 0.794 1
1 1077 . 20 1 1 A 98 98 MET H H 98 7.422 7.874 -0.452 1
1 1078 . 20 1 1 A 98 98 MET HA H 98 3.847 3.266 0.581 1
1 1083 . 20 1 1 A 98 98 MET C C 98 177.185 178.183 -0.998 1
1 1084 . 20 1 1 A 98 98 MET CA C 98 59.943 57.959 1.984 1
1 1085 . 20 1 1 A 98 98 MET CB C 98 32.583 31.851 0.732 1
1 1087 . 20 1 1 A 98 98 MET N N 98 120.651 118.431 2.220 1
1 1088 . 20 1 1 A 99 99 PHE H H 99 8.652 8.078 0.574 1
1 1089 . 20 1 1 A 99 99 PHE HA H 99 4.150 4.037 0.113 1
1 1097 . 20 1 1 A 99 99 PHE C C 99 177.911 177.424 0.487 1
1 1098 . 20 1 1 A 99 99 PHE CA C 99 61.936 61.206 0.730 1
1 1099 . 20 1 1 A 99 99 PHE CB C 99 39.302 38.768 0.534 1
1 1105 . 20 1 1 A 99 99 PHE N N 99 119.857 120.381 -0.524 1
1 1106 . 20 1 1 A 100 100 GLU H H 100 8.232 8.168 0.064 1
1 1107 . 20 1 1 A 100 100 GLU HA H 100 4.094 4.097 -0.003 1
1 1112 . 20 1 1 A 100 100 GLU CA C 100 59.579 59.479 0.100 1
1 1113 . 20 1 1 A 100 100 GLU CB C 100 29.878 28.809 1.069 1
1 1115 . 20 1 1 A 100 100 GLU N N 100 117.666 118.202 -0.536 1
1 1116 . 20 1 1 A 101 101 ASP HA H 101 4.568 4.504 0.064 1
1 1119 . 20 1 1 A 101 101 ASP C C 101 177.667 178.693 -1.026 1
1 1120 . 20 1 1 A 101 101 ASP CA C 101 58.940 57.953 0.987 1
1 1121 . 20 1 1 A 101 101 ASP CB C 101 43.462 41.561 1.901 1
1 1122 . 20 1 1 A 102 102 ILE H H 102 8.370 7.913 0.457 1
1 1123 . 20 1 1 A 102 102 ILE HA H 102 3.319 3.687 -0.368 1
1 1133 . 20 1 1 A 102 102 ILE C C 102 177.347 178.410 -1.063 1
1 1134 . 20 1 1 A 102 102 ILE CA C 102 67.567 65.286 2.281 1
1 1135 . 20 1 1 A 102 102 ILE CB C 102 38.766 37.655 1.111 1
1 1139 . 20 1 1 A 102 102 ILE N N 102 118.449 119.233 -0.784 1
1 1140 . 20 1 1 A 103 103 ARG H H 103 8.450 8.444 0.006 1
1 1141 . 20 1 1 A 103 103 ARG HA H 103 3.834 4.290 -0.456 1
1 1148 . 20 1 1 A 103 103 ARG C C 103 178.760 178.422 0.338 1
1 1149 . 20 1 1 A 103 103 ARG CA C 103 61.318 58.781 2.537 1
1 1150 . 20 1 1 A 103 103 ARG CB C 103 30.978 29.952 1.026 1
1 1153 . 20 1 1 A 103 103 ARG N N 103 118.941 120.682 -1.741 1
1 1154 . 20 1 1 A 104 104 ALA H H 104 8.289 8.093 0.196 1
1 1155 . 20 1 1 A 104 104 ALA HA H 104 4.072 4.217 -0.145 1
1 1159 . 20 1 1 A 104 104 ALA C C 104 181.340 179.452 1.888 1
1 1160 . 20 1 1 A 104 104 ALA CA C 104 56.021 55.203 0.818 1
1 1161 . 20 1 1 A 104 104 ALA CB C 104 18.962 18.281 0.681 1
1 1162 . 20 1 1 A 104 104 ALA N N 104 121.028 122.154 -1.126 1
1 1163 . 20 1 1 A 105 105 LYS H H 105 8.231 8.047 0.184 1
1 1164 . 20 1 1 A 105 105 LYS HA H 105 4.013 3.967 0.046 1
1 1173 . 20 1 1 A 105 105 LYS C C 105 179.414 179.190 0.224 1
1 1174 . 20 1 1 A 105 105 LYS CA C 105 60.025 59.945 0.080 1
1 1175 . 20 1 1 A 105 105 LYS CB C 105 34.341 31.896 2.445 1
1 1179 . 20 1 1 A 105 105 LYS N N 105 118.789 118.457 0.332 1
1 1180 . 20 1 1 A 106 106 LEU H H 106 8.289 8.246 0.043 1
1 1181 . 20 1 1 A 106 106 LEU HA H 106 4.043 3.983 0.060 1
1 1191 . 20 1 1 A 106 106 LEU C C 106 178.091 179.320 -1.229 1
1 1192 . 20 1 1 A 106 106 LEU CA C 106 57.469 57.837 -0.368 1
1 1193 . 20 1 1 A 106 106 LEU CB C 106 43.248 41.834 1.414 1
1 1197 . 20 1 1 A 106 106 LEU N N 106 119.086 119.233 -0.147 1
1 1198 . 20 1 1 A 107 107 HIS H H 107 7.861 8.227 -0.366 1
1 1199 . 20 1 1 A 107 107 HIS HA H 107 4.428 4.310 0.118 1
1 1203 . 20 1 1 A 107 107 HIS C C 107 175.263 174.946 0.317 1
1 1204 . 20 1 1 A 107 107 HIS CA C 107 58.218 59.356 -1.138 1
1 1205 . 20 1 1 A 107 107 HIS CB C 107 30.819 29.880 0.939 1
1 1207 . 20 1 1 A 107 107 HIS N N 107 118.172 117.911 0.261 1
1 1208 . 20 1 1 A 108 108 ALA H H 108 7.505 7.825 -0.320 1
1 1209 . 20 1 1 A 108 108 ALA HA H 108 4.218 3.872 0.346 1
1 1213 . 20 1 1 A 108 108 ALA C C 108 179.374 175.705 3.669 1
1 1214 . 20 1 1 A 108 108 ALA CA C 108 53.303 53.553 -0.250 1
1 1215 . 20 1 1 A 108 108 ALA CB C 108 20.005 18.073 1.932 1
1 1216 . 20 1 1 A 108 108 ALA N N 108 121.363 120.689 0.674 1
1 1217 . 20 1 1 A 109 109 HIS H H 109 7.987 7.365 0.622 1
1 1218 . 20 1 1 A 109 109 HIS HA H 109 4.770 4.841 -0.071 1
1 1221 . 20 1 1 A 109 109 HIS CA C 109 55.217 52.899 2.318 1
1 1222 . 20 1 1 A 109 109 HIS CB C 109 31.250 32.750 -1.500 1
1 1223 . 20 1 1 A 109 109 HIS N N 109 120.133 116.388 3.745 1
1 1224 . 20 1 1 A 110 110 PRO HA H 110 4.368 4.692 -0.324 1
1 1231 . 20 1 1 A 110 110 PRO C C 110 177.350 176.505 0.845 1
1 1232 . 20 1 1 A 110 110 PRO CA C 110 64.430 62.757 1.673 1
1 1233 . 20 1 1 A 110 110 PRO CB C 110 32.912 32.207 0.705 1
1 1236 . 20 1 1 A 111 111 GLY H H 111 8.492 8.779 -0.287 1
1 1237 . 20 1 1 A 111 111 GLY HA2 H 111 3.925 3.959 -0.034 1
1 1238 . 20 1 1 A 111 111 GLY HA3 H 111 3.925 3.965 -0.040 1
1 1239 . 20 1 1 A 111 111 GLY C C 111 173.681 174.392 -0.711 1
1 1240 . 20 1 1 A 111 111 GLY CA C 111 45.831 46.959 -1.128 1
1 1241 . 20 1 1 A 111 111 GLY N N 111 109.622 109.257 0.365 1
1 1242 . 20 1 1 A 112 112 GLU H H 112 8.139 8.284 -0.145 1
1 1243 . 20 1 1 A 112 112 GLU HA H 112 4.573 4.624 -0.051 1
1 1248 . 20 1 1 A 112 112 GLU CA C 112 55.099 55.002 0.097 1
1 1249 . 20 1 1 A 112 112 GLU CB C 112 30.664 29.680 0.984 1
1 1251 . 20 1 1 A 112 112 GLU N N 112 121.771 120.029 1.742 1
1 1252 . 20 1 1 A 113 113 PRO HA H 113 4.411 4.801 -0.390 1
1 1259 . 20 1 1 A 113 113 PRO C C 113 176.943 175.372 1.571 1
1 1260 . 20 1 1 A 113 113 PRO CA C 113 63.990 62.590 1.400 1
1 1261 . 20 1 1 A 113 113 PRO CB C 113 32.817 32.801 0.016 1
1 1264 . 20 1 1 A 114 114 VAL H H 114 8.226 8.543 -0.317 1
1 1265 . 20 1 1 A 114 114 VAL HA H 114 4.036 4.831 -0.795 1
1 1273 . 20 1 1 A 114 114 VAL C C 114 175.708 174.487 1.221 1
1 1274 . 20 1 1 A 114 114 VAL CA C 114 63.021 59.508 3.513 1
1 1275 . 20 1 1 A 114 114 VAL CB C 114 33.996 36.015 -2.019 1
1 1278 . 20 1 1 A 114 114 VAL N N 114 120.138 121.795 -1.657 1
1 1279 . 20 1 1 A 115 115 ASP H H 115 8.313 8.957 -0.644 1
1 1280 . 20 1 1 A 115 115 ASP HA H 115 4.587 5.039 -0.452 1
1 1283 . 20 1 1 A 115 115 ASP C C 115 176.361 176.644 -0.283 1
1 1284 . 20 1 1 A 115 115 ASP CA C 115 54.760 53.540 1.220 1
1 1285 . 20 1 1 A 115 115 ASP CB C 115 41.888 41.328 0.560 1
1 1286 . 20 1 1 A 115 115 ASP N N 115 123.840 126.438 -2.598 1
1 1287 . 20 1 1 A 116 116 LEU H H 116 8.202 8.209 -0.007 1
1 1288 . 20 1 1 A 116 116 LEU HA H 116 4.168 3.924 0.244 1
1 1298 . 20 1 1 A 116 116 LEU C C 116 177.811 177.938 -0.127 1
1 1299 . 20 1 1 A 116 116 LEU CA C 116 56.696 57.669 -0.973 1
1 1300 . 20 1 1 A 116 116 LEU CB C 116 43.084 41.211 1.873 1
1 1304 . 20 1 1 A 116 116 LEU N N 116 123.362 119.634 3.728 1
1 1305 . 20 1 1 A 117 117 GLU H H 117 8.311 8.436 -0.125 1
1 1306 . 20 1 1 A 117 117 GLU HA H 117 4.141 4.242 -0.101 1
1 1311 . 20 1 1 A 117 117 GLU C C 117 176.687 178.629 -1.942 1
1 1312 . 20 1 1 A 117 117 GLU CA C 117 57.937 57.446 0.491 1
1 1313 . 20 1 1 A 117 117 GLU CB C 117 30.685 29.613 1.072 1
1 1315 . 20 1 1 A 117 117 GLU N N 117 119.881 120.166 -0.285 1
1 1316 . 20 1 1 A 118 118 ARG H H 118 7.930 7.593 0.337 1
1 1317 . 20 1 1 A 118 118 ARG HA H 118 4.223 4.145 0.078 1
1 1324 . 20 1 1 A 118 118 ARG C C 118 176.125 177.208 -1.083 1
1 1325 . 20 1 1 A 118 118 ARG CA C 118 57.133 58.212 -1.079 1
1 1326 . 20 1 1 A 118 118 ARG CB C 118 31.445 30.151 1.294 1
1 1329 . 20 1 1 A 118 118 ARG N N 118 120.580 120.795 -0.215 1
1 1330 . 20 1 1 A 119 119 ILE H H 119 7.926 7.671 0.255 1
1 1331 . 20 1 1 A 119 119 ILE HA H 119 4.041 4.259 -0.218 1
1 1341 . 20 1 1 A 119 119 ILE C C 119 176.166 175.275 0.891 1
1 1342 . 20 1 1 A 119 119 ILE CA C 119 62.131 60.480 1.651 1
1 1343 . 20 1 1 A 119 119 ILE CB C 119 39.327 36.079 3.248 1
1 1347 . 20 1 1 A 119 119 ILE N N 119 121.721 117.265 4.456 1
1 1348 . 20 1 1 A 120 120 ILE H H 120 8.152 7.928 0.224 1
1 1349 . 20 1 1 A 120 120 ILE HA H 120 4.038 3.554 0.484 1
1 1359 . 20 1 1 A 120 120 ILE C C 120 175.922 174.664 1.258 1
1 1360 . 20 1 1 A 120 120 ILE CA C 120 61.812 62.389 -0.577 1
1 1361 . 20 1 1 A 120 120 ILE CB C 120 39.091 36.273 2.818 1
1 1365 . 20 1 1 A 120 120 ILE N N 120 125.274 118.736 6.538 1
1 1366 . 20 1 1 A 121 121 ARG H H 121 8.266 7.708 0.558 1
1 1367 . 20 1 1 A 121 121 ARG HA H 121 4.293 4.323 -0.030 1
1 1374 . 20 1 1 A 121 121 ARG CA C 121 56.489 56.038 0.451 1
1 1375 . 20 1 1 A 121 121 ARG CB C 121 31.785 30.538 1.247 1
1 1378 . 20 1 1 A 121 121 ARG N N 121 125.412 120.255 5.157 1
1 1379 . 20 1 1 A 122 122 HIS HA H 122 5.066 4.917 0.149 1
1 1383 . 20 1 1 A 122 122 HIS C C 122 175.210 175.322 -0.112 1
1 1384 . 20 1 1 A 122 122 HIS CA C 122 56.554 54.592 1.962 1
1 1385 . 20 1 1 A 122 122 HIS CB C 122 32.905 32.924 -0.019 1
1 1387 . 20 1 1 A 123 123 GLU H H 123 8.936 8.740 0.196 1
1 1388 . 20 1 1 A 123 123 GLU N N 123 121.008 122.385 -1.377 1
1 1389 . 20 1 1 A 124 124 GLY HA2 H 124 3.984 4.115 -0.131 1
1 1390 . 20 1 1 A 124 124 GLY HA3 H 124 3.913 4.118 -0.205 1
1 1391 . 20 1 1 A 124 124 GLY C C 124 173.408 173.963 -0.555 1
1 1392 . 20 1 1 A 124 124 GLY CA C 124 46.124 45.702 0.422 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 90 1.069 1
2 1 1 1 "RMS(OBS, PRED)" CA 120 1.355 1
3 1 1 1 "RMS(OBS, PRED)" CB 108 1.398 1
4 1 1 1 "RMS(OBS, PRED)" H 95 0.494 1
5 1 1 1 "RMS(OBS, PRED)" HA 130 0.331 1
6 1 1 1 "RMS(OBS, PRED)" N 95 2.810 1
7 1 2 1 "RMS(OBS, PRED)" C 90 1.027 1
8 1 2 1 "RMS(OBS, PRED)" CA 120 1.353 1
9 1 2 1 "RMS(OBS, PRED)" CB 108 1.480 1
10 1 2 1 "RMS(OBS, PRED)" H 95 0.490 1
11 1 2 1 "RMS(OBS, PRED)" HA 130 0.341 1
12 1 2 1 "RMS(OBS, PRED)" N 95 2.600 1
13 1 3 1 "RMS(OBS, PRED)" C 90 1.037 1
14 1 3 1 "RMS(OBS, PRED)" CA 120 1.435 1
15 1 3 1 "RMS(OBS, PRED)" CB 108 1.497 1
16 1 3 1 "RMS(OBS, PRED)" H 95 0.489 1
17 1 3 1 "RMS(OBS, PRED)" HA 130 0.323 1
18 1 3 1 "RMS(OBS, PRED)" N 95 2.564 1
19 1 4 1 "RMS(OBS, PRED)" C 90 1.081 1
20 1 4 1 "RMS(OBS, PRED)" CA 120 1.313 1
21 1 4 1 "RMS(OBS, PRED)" CB 108 1.508 1
22 1 4 1 "RMS(OBS, PRED)" H 95 0.516 1
23 1 4 1 "RMS(OBS, PRED)" HA 130 0.316 1
24 1 4 1 "RMS(OBS, PRED)" N 95 2.746 1
25 1 5 1 "RMS(OBS, PRED)" C 90 1.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 120 1.304 1
27 1 5 1 "RMS(OBS, PRED)" CB 108 1.620 1
28 1 5 1 "RMS(OBS, PRED)" H 95 0.501 1
29 1 5 1 "RMS(OBS, PRED)" HA 130 0.351 1
30 1 5 1 "RMS(OBS, PRED)" N 95 2.772 1
31 1 6 1 "RMS(OBS, PRED)" C 90 1.118 1
32 1 6 1 "RMS(OBS, PRED)" CA 120 1.325 1
33 1 6 1 "RMS(OBS, PRED)" CB 108 1.656 1
34 1 6 1 "RMS(OBS, PRED)" H 95 0.479 1
35 1 6 1 "RMS(OBS, PRED)" HA 130 0.324 1
36 1 6 1 "RMS(OBS, PRED)" N 95 2.626 1
37 1 7 1 "RMS(OBS, PRED)" C 90 1.038 1
38 1 7 1 "RMS(OBS, PRED)" CA 120 1.461 1
39 1 7 1 "RMS(OBS, PRED)" CB 108 1.540 1
40 1 7 1 "RMS(OBS, PRED)" H 95 0.526 1
41 1 7 1 "RMS(OBS, PRED)" HA 130 0.321 1
42 1 7 1 "RMS(OBS, PRED)" N 95 2.730 1
43 1 8 1 "RMS(OBS, PRED)" C 90 1.044 1
44 1 8 1 "RMS(OBS, PRED)" CA 120 1.450 1
45 1 8 1 "RMS(OBS, PRED)" CB 108 1.458 1
46 1 8 1 "RMS(OBS, PRED)" H 95 0.508 1
47 1 8 1 "RMS(OBS, PRED)" HA 130 0.331 1
48 1 8 1 "RMS(OBS, PRED)" N 95 2.713 1
49 1 9 1 "RMS(OBS, PRED)" C 90 1.011 1
50 1 9 1 "RMS(OBS, PRED)" CA 120 1.397 1
51 1 9 1 "RMS(OBS, PRED)" CB 108 1.483 1
52 1 9 1 "RMS(OBS, PRED)" H 95 0.507 1
53 1 9 1 "RMS(OBS, PRED)" HA 130 0.349 1
54 1 9 1 "RMS(OBS, PRED)" N 95 2.549 1
55 1 10 1 "RMS(OBS, PRED)" C 90 1.029 1
56 1 10 1 "RMS(OBS, PRED)" CA 120 1.430 1
57 1 10 1 "RMS(OBS, PRED)" CB 108 1.630 1
58 1 10 1 "RMS(OBS, PRED)" H 95 0.512 1
59 1 10 1 "RMS(OBS, PRED)" HA 130 0.327 1
60 1 10 1 "RMS(OBS, PRED)" N 95 2.647 1
61 1 11 1 "RMS(OBS, PRED)" C 90 1.001 1
62 1 11 1 "RMS(OBS, PRED)" CA 120 1.451 1
63 1 11 1 "RMS(OBS, PRED)" CB 108 1.546 1
64 1 11 1 "RMS(OBS, PRED)" H 95 0.479 1
65 1 11 1 "RMS(OBS, PRED)" HA 130 0.327 1
66 1 11 1 "RMS(OBS, PRED)" N 95 2.631 1
67 1 12 1 "RMS(OBS, PRED)" C 90 1.118 1
68 1 12 1 "RMS(OBS, PRED)" CA 120 1.408 1
69 1 12 1 "RMS(OBS, PRED)" CB 108 1.514 1
70 1 12 1 "RMS(OBS, PRED)" H 95 0.512 1
71 1 12 1 "RMS(OBS, PRED)" HA 130 0.324 1
72 1 12 1 "RMS(OBS, PRED)" N 95 2.702 1
73 1 13 1 "RMS(OBS, PRED)" C 90 1.026 1
74 1 13 1 "RMS(OBS, PRED)" CA 120 1.313 1
75 1 13 1 "RMS(OBS, PRED)" CB 108 1.579 1
76 1 13 1 "RMS(OBS, PRED)" H 95 0.508 1
77 1 13 1 "RMS(OBS, PRED)" HA 130 0.315 1
78 1 13 1 "RMS(OBS, PRED)" N 95 2.809 1
79 1 14 1 "RMS(OBS, PRED)" C 90 1.007 1
80 1 14 1 "RMS(OBS, PRED)" CA 120 1.338 1
81 1 14 1 "RMS(OBS, PRED)" CB 108 1.468 1
82 1 14 1 "RMS(OBS, PRED)" H 95 0.507 1
83 1 14 1 "RMS(OBS, PRED)" HA 130 0.343 1
84 1 14 1 "RMS(OBS, PRED)" N 95 2.877 1
85 1 15 1 "RMS(OBS, PRED)" C 90 1.103 1
86 1 15 1 "RMS(OBS, PRED)" CA 120 1.401 1
87 1 15 1 "RMS(OBS, PRED)" CB 108 1.491 1
88 1 15 1 "RMS(OBS, PRED)" H 95 0.490 1
89 1 15 1 "RMS(OBS, PRED)" HA 130 0.334 1
90 1 15 1 "RMS(OBS, PRED)" N 95 2.612 1
91 1 16 1 "RMS(OBS, PRED)" C 90 0.988 1
92 1 16 1 "RMS(OBS, PRED)" CA 120 1.453 1
93 1 16 1 "RMS(OBS, PRED)" CB 108 1.397 1
94 1 16 1 "RMS(OBS, PRED)" H 95 0.501 1
95 1 16 1 "RMS(OBS, PRED)" HA 130 0.316 1
96 1 16 1 "RMS(OBS, PRED)" N 95 2.579 1
97 1 17 1 "RMS(OBS, PRED)" C 90 1.014 1
98 1 17 1 "RMS(OBS, PRED)" CA 120 1.394 1
99 1 17 1 "RMS(OBS, PRED)" CB 108 1.606 1
100 1 17 1 "RMS(OBS, PRED)" H 95 0.499 1
101 1 17 1 "RMS(OBS, PRED)" HA 130 0.348 1
102 1 17 1 "RMS(OBS, PRED)" N 95 2.552 1
103 1 18 1 "RMS(OBS, PRED)" C 90 0.983 1
104 1 18 1 "RMS(OBS, PRED)" CA 120 1.352 1
105 1 18 1 "RMS(OBS, PRED)" CB 108 1.503 1
106 1 18 1 "RMS(OBS, PRED)" H 95 0.508 1
107 1 18 1 "RMS(OBS, PRED)" HA 130 0.321 1
108 1 18 1 "RMS(OBS, PRED)" N 95 2.722 1
109 1 19 1 "RMS(OBS, PRED)" C 90 0.992 1
110 1 19 1 "RMS(OBS, PRED)" CA 120 1.331 1
111 1 19 1 "RMS(OBS, PRED)" CB 108 1.503 1
112 1 19 1 "RMS(OBS, PRED)" H 95 0.539 1
113 1 19 1 "RMS(OBS, PRED)" HA 130 0.335 1
114 1 19 1 "RMS(OBS, PRED)" N 95 2.870 1
115 1 20 1 "RMS(OBS, PRED)" C 90 1.058 1
116 1 20 1 "RMS(OBS, PRED)" CA 120 1.482 1
117 1 20 1 "RMS(OBS, PRED)" CB 108 1.538 1
118 1 20 1 "RMS(OBS, PRED)" H 95 0.498 1
119 1 20 1 "RMS(OBS, PRED)" HA 130 0.357 1
120 1 20 1 "RMS(OBS, PRED)" N 95 2.612 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 10 . 1 1 A 2 2 GLY H H 2 8.402 8.507 -0.105 2
1 11 . 1 1 A 2 2 GLY HA2 H 2 3.903 3.970 -0.067 2
1 12 . 1 1 A 2 2 GLY HA3 H 2 3.903 4.019 -0.116 2
1 13 . 1 1 A 2 2 GLY C C 2 172.919 173.903 -0.984 2
1 14 . 1 1 A 2 2 GLY CA C 2 45.814 45.924 -0.110 2
1 15 . 1 1 A 2 2 GLY N N 2 110.769 110.604 0.165 2
1 16 . 1 1 A 3 3 HIS H H 3 8.198 8.162 0.036 2
1 17 . 1 1 A 3 3 HIS N N 3 120.514 119.795 0.719 2
1 18 . 1 1 A 4 4 MET HA H 4 4.688 4.869 -0.181 2
1 26 . 1 1 A 4 4 MET CA C 4 56.462 54.458 2.004 2
1 27 . 1 1 A 4 4 MET CB C 4 35.293 34.879 0.414 2
1 30 . 1 1 A 5 5 PHE H H 5 8.690 9.047 -0.357 2
1 31 . 1 1 A 5 5 PHE HA H 5 5.254 5.195 0.059 2
1 39 . 1 1 A 5 5 PHE C C 5 173.490 174.132 -0.642 2
1 40 . 1 1 A 5 5 PHE CA C 5 58.548 57.258 1.290 2
1 41 . 1 1 A 5 5 PHE CB C 5 43.312 42.154 1.158 2
1 47 . 1 1 A 5 5 PHE N N 5 123.462 126.536 -3.074 2
1 48 . 1 1 A 6 6 GLU H H 6 7.963 8.625 -0.662 2
1 49 . 1 1 A 6 6 GLU HA H 6 4.182 4.630 -0.448 2
1 54 . 1 1 A 6 6 GLU CA C 6 53.572 53.634 -0.062 2
1 55 . 1 1 A 6 6 GLU CB C 6 31.259 32.767 -1.508 2
1 57 . 1 1 A 6 6 GLU N N 6 127.826 124.071 3.755 2
1 58 . 1 1 A 7 7 PRO HA H 7 3.783 4.304 -0.521 2
1 65 . 1 1 A 7 7 PRO C C 7 177.433 177.307 0.126 2
1 66 . 1 1 A 7 7 PRO CA C 7 66.503 63.594 2.909 2
1 67 . 1 1 A 7 7 PRO CB C 7 31.785 31.172 0.613 2
1 70 . 1 1 A 8 8 GLY H H 8 7.537 8.436 -0.899 2
1 71 . 1 1 A 8 8 GLY HA2 H 8 3.896 3.271 0.625 2
1 72 . 1 1 A 8 8 GLY HA3 H 8 2.085 3.681 -1.596 2
1 73 . 1 1 A 8 8 GLY C C 8 174.730 172.887 1.843 2
1 74 . 1 1 A 8 8 GLY CA C 8 46.895 44.741 2.154 2
1 75 . 1 1 A 8 8 GLY N N 8 111.178 112.506 -1.328 2
1 76 . 1 1 A 9 9 HIS H H 9 9.112 7.422 1.690 2
1 77 . 1 1 A 9 9 HIS HA H 9 5.699 5.084 0.615 2
1 81 . 1 1 A 9 9 HIS C C 9 170.886 172.753 -1.867 2
1 82 . 1 1 A 9 9 HIS CA C 9 55.252 55.902 -0.650 2
1 83 . 1 1 A 9 9 HIS CB C 9 32.029 33.045 -1.016 2
1 85 . 1 1 A 9 9 HIS N N 9 122.719 118.926 3.793 2
1 86 . 1 1 A 10 10 LEU H H 10 9.637 8.796 0.841 2
1 87 . 1 1 A 10 10 LEU HA H 10 5.198 5.146 0.052 2
1 97 . 1 1 A 10 10 LEU C C 10 173.565 173.928 -0.363 2
1 98 . 1 1 A 10 10 LEU CA C 10 54.377 53.682 0.694 2
1 99 . 1 1 A 10 10 LEU CB C 10 46.916 46.036 0.880 2
1 103 . 1 1 A 10 10 LEU N N 10 130.516 127.441 3.075 2
1 104 . 1 1 A 11 11 HIS H H 11 9.237 9.027 0.210 2
1 105 . 1 1 A 11 11 HIS HA H 11 5.478 5.440 0.038 2
1 109 . 1 1 A 11 11 HIS C C 11 173.559 173.521 0.038 2
1 110 . 1 1 A 11 11 HIS CA C 11 53.302 54.001 -0.699 2
1 111 . 1 1 A 11 11 HIS CB C 11 34.638 32.917 1.721 2
1 113 . 1 1 A 11 11 HIS N N 11 128.715 126.056 2.659 2
1 114 . 1 1 A 12 12 LEU H H 12 9.370 9.061 0.309 2
1 115 . 1 1 A 12 12 LEU HA H 12 4.863 5.033 -0.170 2
1 125 . 1 1 A 12 12 LEU CA C 12 54.243 53.619 0.624 2
1 126 . 1 1 A 12 12 LEU CB C 12 45.047 43.808 1.239 2
1 130 . 1 1 A 12 12 LEU N N 12 127.423 126.957 0.466 2
1 131 . 1 1 A 13 13 VAL HA H 13 4.847 5.018 -0.171 2
1 139 . 1 1 A 13 13 VAL CA C 13 60.665 59.710 0.955 2
1 140 . 1 1 A 13 13 VAL CB C 13 35.978 35.135 0.843 2
1 143 . 1 1 A 14 14 SER H H 14 8.220 8.743 -0.523 2
1 144 . 1 1 A 14 14 SER HA H 14 4.563 4.780 -0.217 2
1 147 . 1 1 A 14 14 SER CA C 14 58.588 57.499 1.089 2
1 148 . 1 1 A 14 14 SER CB C 14 65.442 64.109 1.333 2
1 149 . 1 1 A 14 14 SER N N 14 118.092 119.847 -1.755 2
1 150 . 1 1 A 15 15 LEU H H 15 8.965 8.481 0.484 2
1 151 . 1 1 A 15 15 LEU HA H 15 4.725 4.605 0.120 2
1 161 . 1 1 A 15 15 LEU CA C 15 53.203 52.981 0.222 2
1 162 . 1 1 A 15 15 LEU CB C 15 42.658 42.161 0.497 2
1 166 . 1 1 A 15 15 LEU N N 15 124.969 124.590 0.379 2
1 167 . 1 1 A 16 16 PRO HA H 16 4.326 4.397 -0.071 2
1 174 . 1 1 A 16 16 PRO C C 16 177.551 177.321 0.230 2
1 175 . 1 1 A 16 16 PRO CA C 16 64.262 63.770 0.492 2
1 176 . 1 1 A 16 16 PRO CB C 16 32.855 31.645 1.210 2
1 179 . 1 1 A 17 17 GLY H H 17 8.597 8.438 0.160 2
1 180 . 1 1 A 17 17 GLY HA2 H 17 4.091 3.934 0.157 2
1 181 . 1 1 A 17 17 GLY HA3 H 17 3.773 3.944 -0.171 2
1 182 . 1 1 A 17 17 GLY C C 17 173.908 174.795 -0.887 2
1 183 . 1 1 A 17 17 GLY CA C 17 46.155 45.967 0.188 2
1 184 . 1 1 A 17 17 GLY N N 17 110.651 110.990 -0.339 2
1 185 . 1 1 A 18 18 LEU H H 18 7.998 8.067 -0.069 2
1 186 . 1 1 A 18 18 LEU HA H 18 4.318 4.318 0.000 2
1 192 . 1 1 A 18 18 LEU CA C 18 56.800 55.570 1.230 2
1 193 . 1 1 A 18 18 LEU CB C 18 43.502 42.404 1.098 2
1 195 . 1 1 A 18 18 LEU N N 18 122.006 122.803 -0.797 2
1 196 . 1 1 A 19 19 ASP HA H 19 4.330 4.723 -0.393 2
1 199 . 1 1 A 19 19 ASP CA C 19 56.800 54.222 2.578 2
1 200 . 1 1 A 19 19 ASP CB C 19 43.498 41.936 1.562 2
1 201 . 1 1 A 20 20 GLN HA H 20 4.248 4.459 -0.211 2
1 208 . 1 1 A 20 20 GLN CA C 20 56.991 55.977 1.014 2
1 209 . 1 1 A 20 20 GLN CB C 20 31.005 29.230 1.775 2
1 212 . 1 1 A 21 21 GLN H H 21 7.823 7.965 -0.142 2
1 213 . 1 1 A 21 21 GLN HA H 21 4.478 4.698 -0.220 2
1 220 . 1 1 A 21 21 GLN C C 21 174.199 173.938 0.261 2
1 221 . 1 1 A 21 21 GLN CA C 21 56.424 55.041 1.384 2
1 222 . 1 1 A 21 21 GLN CB C 21 33.930 31.329 2.601 2
1 224 . 1 1 A 21 21 GLN N N 21 118.190 121.061 -2.871 2
1 226 . 1 1 A 22 22 ASP H H 22 8.549 8.746 -0.197 2
1 227 . 1 1 A 22 22 ASP HA H 22 4.708 4.858 -0.150 2
1 230 . 1 1 A 22 22 ASP C C 22 175.399 175.091 0.308 2
1 231 . 1 1 A 22 22 ASP CA C 22 54.415 53.255 1.160 2
1 232 . 1 1 A 22 22 ASP CB C 22 42.744 40.191 2.553 2
1 233 . 1 1 A 22 22 ASP N N 22 122.563 124.352 -1.789 2
1 234 . 1 1 A 23 23 ILE H H 23 8.681 8.238 0.443 2
1 235 . 1 1 A 23 23 ILE HA H 23 4.726 4.883 -0.157 2
1 245 . 1 1 A 23 23 ILE C C 23 174.896 175.174 -0.278 2
1 246 . 1 1 A 23 23 ILE CA C 23 60.384 59.731 0.653 2
1 247 . 1 1 A 23 23 ILE CB C 23 42.843 39.650 3.193 2
1 251 . 1 1 A 23 23 ILE N N 23 121.642 120.072 1.570 2
1 252 . 1 1 A 24 24 ASN H H 24 8.224 8.938 -0.714 2
1 253 . 1 1 A 24 24 ASN HA H 24 5.252 5.896 -0.644 2
1 258 . 1 1 A 24 24 ASN C C 24 174.672 173.857 0.815 2
1 259 . 1 1 A 24 24 ASN CA C 24 54.262 52.290 1.972 2
1 260 . 1 1 A 24 24 ASN CB C 24 40.495 41.672 -1.177 2
1 261 . 1 1 A 24 24 ASN N N 24 124.418 121.775 2.643 2
1 263 . 1 1 A 25 25 ILE H H 25 9.453 9.119 0.334 2
1 264 . 1 1 A 25 25 ILE HA H 25 4.896 5.035 -0.139 2
1 274 . 1 1 A 25 25 ILE C C 25 173.645 174.898 -1.253 2
1 275 . 1 1 A 25 25 ILE CA C 25 61.580 60.328 1.252 2
1 276 . 1 1 A 25 25 ILE CB C 25 44.146 42.231 1.915 2
1 280 . 1 1 A 25 25 ILE N N 25 122.056 124.066 -2.010 2
1 281 . 1 1 A 26 26 HIS H H 26 9.716 8.883 0.833 2
1 282 . 1 1 A 26 26 HIS HA H 26 5.404 5.393 0.011 2
1 286 . 1 1 A 26 26 HIS C C 26 175.078 174.540 0.538 2
1 287 . 1 1 A 26 26 HIS CA C 26 55.881 54.621 1.260 2
1 288 . 1 1 A 26 26 HIS CB C 26 32.829 31.958 0.871 2
1 290 . 1 1 A 26 26 HIS N N 26 126.720 125.019 1.701 2
1 291 . 1 1 A 27 27 ILE H H 27 9.935 9.290 0.645 2
1 292 . 1 1 A 27 27 ILE HA H 27 5.096 4.930 0.166 2
1 302 . 1 1 A 27 27 ILE C C 27 174.860 174.787 0.073 2
1 303 . 1 1 A 27 27 ILE CA C 27 61.915 60.641 1.274 2
1 304 . 1 1 A 27 27 ILE CB C 27 40.667 39.726 0.941 2
1 308 . 1 1 A 27 27 ILE N N 27 123.352 123.748 -0.396 2
1 309 . 1 1 A 28 28 ARG H H 28 9.315 9.271 0.044 2
1 310 . 1 1 A 28 28 ARG HA H 28 5.621 5.038 0.583 2
1 317 . 1 1 A 28 28 ARG C C 28 175.573 175.056 0.517 2
1 318 . 1 1 A 28 28 ARG CA C 28 54.904 55.013 -0.109 2
1 319 . 1 1 A 28 28 ARG CB C 28 33.782 32.234 1.548 2
1 322 . 1 1 A 28 28 ARG N N 28 127.731 128.382 -0.651 2
1 323 . 1 1 A 29 29 TYR H H 29 7.656 8.420 -0.764 2
1 324 . 1 1 A 29 29 TYR HA H 29 5.831 5.612 0.219 2
1 331 . 1 1 A 29 29 TYR C C 29 173.770 174.566 -0.796 2
1 332 . 1 1 A 29 29 TYR CA C 29 55.377 55.646 -0.269 2
1 333 . 1 1 A 29 29 TYR CB C 29 43.035 41.286 1.749 2
1 338 . 1 1 A 29 29 TYR N N 29 117.229 121.286 -4.057 2
1 339 . 1 1 A 30 30 GLU H H 30 8.323 8.537 -0.214 2
1 340 . 1 1 A 30 30 GLU HA H 30 4.381 4.752 -0.371 2
1 345 . 1 1 A 30 30 GLU C C 30 173.976 175.187 -1.211 2
1 346 . 1 1 A 30 30 GLU CA C 30 55.235 55.087 0.148 2
1 347 . 1 1 A 30 30 GLU CB C 30 34.494 31.936 2.558 2
1 349 . 1 1 A 30 30 GLU N N 30 117.003 123.875 -6.872 2
1 350 . 1 1 A 31 31 VAL H H 31 8.957 8.546 0.411 2
1 351 . 1 1 A 31 31 VAL HA H 31 4.262 4.204 0.058 2
1 359 . 1 1 A 31 31 VAL C C 31 175.045 175.130 -0.085 2
1 360 . 1 1 A 31 31 VAL CA C 31 63.418 62.193 1.225 2
1 361 . 1 1 A 31 31 VAL CB C 31 32.211 31.340 0.871 2
1 364 . 1 1 A 31 31 VAL N N 31 125.299 125.535 -0.236 2
1 365 . 1 1 A 32 32 ARG H H 32 8.550 8.433 0.117 2
1 366 . 1 1 A 32 32 ARG HA H 32 4.408 4.889 -0.481 2
1 373 . 1 1 A 32 32 ARG C C 32 173.222 174.249 -1.027 2
1 374 . 1 1 A 32 32 ARG CA C 32 55.048 53.855 1.192 2
1 375 . 1 1 A 32 32 ARG CB C 32 34.646 33.917 0.729 2
1 378 . 1 1 A 32 32 ARG N N 32 128.345 128.301 0.044 2
1 379 . 1 1 A 33 33 GLN H H 33 8.148 8.610 -0.462 2
1 380 . 1 1 A 33 33 GLN HA H 33 4.697 5.188 -0.491 2
1 387 . 1 1 A 33 33 GLN C C 33 175.419 175.469 -0.050 2
1 388 . 1 1 A 33 33 GLN CA C 33 55.943 54.756 1.187 2
1 389 . 1 1 A 33 33 GLN CB C 33 31.679 30.399 1.280 2
1 391 . 1 1 A 33 33 GLN N N 33 116.088 123.048 -6.960 2
1 393 . 1 1 A 34 34 ASN H H 34 8.323 8.897 -0.574 2
1 394 . 1 1 A 34 34 ASN HA H 34 4.825 5.219 -0.394 2
1 399 . 1 1 A 34 34 ASN CA C 34 53.468 51.915 1.553 2
1 400 . 1 1 A 34 34 ASN CB C 34 41.559 39.949 1.610 2
1 401 . 1 1 A 34 34 ASN N N 34 121.088 123.784 -2.696 2
1 403 . 1 1 A 35 35 ALA HA H 35 4.099 4.041 0.058 2
1 407 . 1 1 A 35 35 ALA C C 35 178.472 179.267 -0.795 2
1 408 . 1 1 A 35 35 ALA CA C 35 55.591 54.518 1.073 2
1 409 . 1 1 A 35 35 ALA CB C 35 19.600 18.440 1.160 2
1 410 . 1 1 A 36 36 GLU H H 36 8.362 8.000 0.362 2
1 411 . 1 1 A 36 36 GLU HA H 36 4.263 4.076 0.187 2
1 416 . 1 1 A 36 36 GLU C C 36 177.727 177.880 -0.153 2
1 417 . 1 1 A 36 36 GLU CA C 36 59.010 58.923 0.087 2
1 418 . 1 1 A 36 36 GLU CB C 36 31.059 30.074 0.985 2
1 420 . 1 1 A 36 36 GLU N N 36 116.669 119.530 -2.861 2
1 421 . 1 1 A 37 37 SER H H 37 8.338 8.046 0.292 2
1 422 . 1 1 A 37 37 SER HA H 37 4.515 4.663 -0.148 2
1 425 . 1 1 A 37 37 SER C C 37 175.134 174.725 0.409 2
1 426 . 1 1 A 37 37 SER CA C 37 59.568 58.274 1.294 2
1 427 . 1 1 A 37 37 SER CB C 37 65.114 64.499 0.615 2
1 428 . 1 1 A 37 37 SER N N 37 111.971 112.671 -0.700 2
1 429 . 1 1 A 38 38 GLY H H 38 8.098 7.800 0.298 2
1 430 . 1 1 A 38 38 GLY HA2 H 38 4.294 4.008 0.286 2
1 431 . 1 1 A 38 38 GLY HA3 H 38 3.975 4.010 -0.035 2
1 432 . 1 1 A 38 38 GLY C C 38 173.759 173.858 -0.099 2
1 433 . 1 1 A 38 38 GLY CA C 38 45.904 46.036 -0.133 2
1 434 . 1 1 A 38 38 GLY N N 38 111.508 109.526 1.982 2
1 435 . 1 1 A 39 39 ALA H H 39 8.450 8.120 0.330 2
1 436 . 1 1 A 39 39 ALA HA H 39 4.902 4.642 0.260 2
1 440 . 1 1 A 39 39 ALA C C 39 177.193 177.217 -0.024 2
1 441 . 1 1 A 39 39 ALA CA C 39 52.880 52.016 0.864 2
1 442 . 1 1 A 39 39 ALA CB C 39 20.714 19.722 0.992 2
1 443 . 1 1 A 39 39 ALA N N 39 124.210 126.299 -2.089 2
1 444 . 1 1 A 40 40 TYR H H 40 8.854 8.514 0.340 2
1 445 . 1 1 A 40 40 TYR HA H 40 4.796 5.326 -0.530 2
1 452 . 1 1 A 40 40 TYR C C 40 171.595 172.589 -0.994 2
1 453 . 1 1 A 40 40 TYR CA C 40 56.552 55.895 0.657 2
1 454 . 1 1 A 40 40 TYR CB C 40 41.319 40.927 0.392 2
1 459 . 1 1 A 40 40 TYR N N 40 118.580 117.086 1.494 2
1 460 . 1 1 A 41 41 VAL H H 41 9.275 8.386 0.889 2
1 461 . 1 1 A 41 41 VAL HA H 41 4.430 4.461 -0.031 2
1 469 . 1 1 A 41 41 VAL C C 41 174.098 173.811 0.287 2
1 470 . 1 1 A 41 41 VAL CA C 41 61.566 60.591 0.975 2
1 471 . 1 1 A 41 41 VAL CB C 41 33.852 34.407 -0.555 2
1 474 . 1 1 A 41 41 VAL N N 41 118.445 119.245 -0.800 2
1 475 . 1 1 A 42 42 HIS H H 42 8.789 8.667 0.122 2
1 476 . 1 1 A 42 42 HIS HA H 42 4.814 4.812 0.002 2
1 480 . 1 1 A 42 42 HIS C C 42 172.353 173.079 -0.726 2
1 481 . 1 1 A 42 42 HIS CA C 42 56.537 55.270 1.267 2
1 482 . 1 1 A 42 42 HIS CB C 42 31.587 31.106 0.481 2
1 484 . 1 1 A 42 42 HIS N N 42 125.741 126.611 -0.870 2
1 485 . 1 1 A 43 43 PHE H H 43 8.604 8.701 -0.097 2
1 486 . 1 1 A 43 43 PHE HA H 43 4.933 5.085 -0.152 2
1 494 . 1 1 A 43 43 PHE C C 43 174.119 173.953 0.166 2
1 495 . 1 1 A 43 43 PHE CA C 43 56.591 56.507 0.084 2
1 496 . 1 1 A 43 43 PHE CB C 43 41.053 40.470 0.583 2
1 502 . 1 1 A 43 43 PHE N N 43 125.631 126.058 -0.427 2
1 503 . 1 1 A 44 44 ASP H H 44 9.322 8.875 0.447 2
1 504 . 1 1 A 44 44 ASP HA H 44 5.187 5.418 -0.231 2
1 507 . 1 1 A 44 44 ASP C C 44 175.076 174.663 0.413 2
1 508 . 1 1 A 44 44 ASP CA C 44 55.145 52.819 2.326 2
1 509 . 1 1 A 44 44 ASP CB C 44 45.197 44.244 0.953 2
1 510 . 1 1 A 44 44 ASP N N 44 121.184 122.957 -1.773 2
1 511 . 1 1 A 45 45 MET H H 45 9.110 8.964 0.146 2
1 512 . 1 1 A 45 45 MET HA H 45 5.765 5.906 -0.141 2
1 520 . 1 1 A 45 45 MET C C 45 173.254 174.374 -1.120 2
1 521 . 1 1 A 45 45 MET CA C 45 54.810 54.336 0.474 2
1 522 . 1 1 A 45 45 MET CB C 45 38.632 36.589 2.043 2
1 525 . 1 1 A 45 45 MET N N 45 121.976 123.177 -1.201 2
1 526 . 1 1 A 46 46 ASP H H 46 8.763 8.596 0.167 2
1 527 . 1 1 A 46 46 ASP HA H 46 4.373 4.635 -0.262 2
1 530 . 1 1 A 46 46 ASP C C 46 173.396 173.990 -0.594 2
1 531 . 1 1 A 46 46 ASP CA C 46 53.810 52.380 1.430 2
1 532 . 1 1 A 46 46 ASP CB C 46 44.722 43.710 1.012 2
1 533 . 1 1 A 46 46 ASP N N 46 121.797 121.689 0.108 2
1 534 . 1 1 A 47 47 GLY H H 47 7.154 7.335 -0.181 2
1 535 . 1 1 A 47 47 GLY HA2 H 47 5.075 3.914 1.161 2
1 536 . 1 1 A 47 47 GLY HA3 H 47 3.927 3.991 -0.064 2
1 537 . 1 1 A 47 47 GLY C C 47 172.328 171.867 0.461 2
1 538 . 1 1 A 47 47 GLY CA C 47 45.820 45.162 0.658 2
1 539 . 1 1 A 47 47 GLY N N 47 105.470 105.453 0.017 2
1 540 . 1 1 A 48 48 GLU H H 48 9.100 8.709 0.391 2
1 541 . 1 1 A 48 48 GLU HA H 48 5.257 5.651 -0.394 2
1 546 . 1 1 A 48 48 GLU C C 48 175.019 174.486 0.533 2
1 547 . 1 1 A 48 48 GLU CA C 48 56.247 55.002 1.245 2
1 548 . 1 1 A 48 48 GLU CB C 48 35.076 33.121 1.955 2
1 550 . 1 1 A 48 48 GLU N N 48 119.799 118.718 1.081 2
1 551 . 1 1 A 49 49 ILE H H 49 7.945 8.623 -0.678 2
1 552 . 1 1 A 49 49 ILE HA H 49 4.540 4.665 -0.125 2
1 562 . 1 1 A 49 49 ILE C C 49 176.382 175.973 0.409 2
1 563 . 1 1 A 49 49 ILE CA C 49 61.321 60.262 1.059 2
1 564 . 1 1 A 49 49 ILE CB C 49 41.847 39.698 2.149 2
1 568 . 1 1 A 49 49 ILE N N 49 120.718 123.209 -2.491 2
1 569 . 1 1 A 50 50 ASP H H 50 10.048 9.444 0.604 2
1 570 . 1 1 A 50 50 ASP HA H 50 4.522 4.336 0.186 2
1 573 . 1 1 A 50 50 ASP C C 50 176.193 175.585 0.608 2
1 574 . 1 1 A 50 50 ASP CA C 50 56.872 55.273 1.599 2
1 575 . 1 1 A 50 50 ASP CB C 50 40.754 39.819 0.935 2
1 576 . 1 1 A 50 50 ASP N N 50 130.256 128.137 2.119 2
1 577 . 1 1 A 51 51 GLY H H 51 9.048 8.378 0.670 2
1 578 . 1 1 A 51 51 GLY HA2 H 51 4.126 3.919 0.207 2
1 579 . 1 1 A 51 51 GLY HA3 H 51 3.660 3.927 -0.267 2
1 580 . 1 1 A 51 51 GLY C C 51 173.935 174.005 -0.070 2
1 581 . 1 1 A 51 51 GLY CA C 51 46.194 45.398 0.796 2
1 582 . 1 1 A 51 51 GLY N N 51 103.446 104.648 -1.202 2
1 583 . 1 1 A 52 52 LYS H H 52 7.905 7.604 0.301 2
1 584 . 1 1 A 52 52 LYS HA H 52 5.014 4.582 0.432 2
1 593 . 1 1 A 52 52 LYS CA C 52 53.809 53.149 0.660 2
1 594 . 1 1 A 52 52 LYS CB C 52 33.788 32.971 0.816 2
1 598 . 1 1 A 52 52 LYS N N 52 122.692 121.249 1.443 2
1 599 . 1 1 A 53 53 PRO HA H 53 5.523 5.317 0.206 2
1 606 . 1 1 A 53 53 PRO C C 53 176.300 176.739 -0.439 2
1 607 . 1 1 A 53 53 PRO CA C 53 62.896 62.625 0.271 2
1 608 . 1 1 A 53 53 PRO CB C 53 33.920 32.735 1.185 2
1 611 . 1 1 A 54 54 PHE H H 54 8.643 8.646 -0.003 2
1 612 . 1 1 A 54 54 PHE HA H 54 4.907 5.241 -0.334 2
1 620 . 1 1 A 54 54 PHE C C 54 172.840 173.051 -0.211 2
1 621 . 1 1 A 54 54 PHE CA C 54 57.173 55.886 1.287 2
1 622 . 1 1 A 54 54 PHE CB C 54 43.620 42.107 1.513 2
1 628 . 1 1 A 54 54 PHE N N 54 117.436 118.643 -1.207 2
1 629 . 1 1 A 55 55 SER H H 55 8.009 8.891 -0.882 2
1 630 . 1 1 A 55 55 SER HA H 55 4.822 5.179 -0.357 2
1 633 . 1 1 A 55 55 SER C C 55 172.856 172.594 0.262 2
1 634 . 1 1 A 55 55 SER CA C 55 58.238 57.112 1.126 2
1 635 . 1 1 A 55 55 SER CB C 55 66.163 65.508 0.654 2
1 636 . 1 1 A 55 55 SER N N 55 113.907 114.658 -0.751 2
1 637 . 1 1 A 56 56 ASP H H 56 9.593 8.983 0.610 2
1 638 . 1 1 A 56 56 ASP HA H 56 4.985 5.522 -0.537 2
1 641 . 1 1 A 56 56 ASP C C 56 175.049 174.466 0.583 2
1 642 . 1 1 A 56 56 ASP CA C 56 54.043 53.206 0.837 2
1 643 . 1 1 A 56 56 ASP CB C 56 46.425 45.130 1.295 2
1 644 . 1 1 A 56 56 ASP N N 56 125.145 125.105 0.040 2
1 645 . 1 1 A 57 57 SER H H 57 10.207 8.747 1.460 2
1 646 . 1 1 A 57 57 SER HA H 57 5.383 5.406 -0.023 2
1 649 . 1 1 A 57 57 SER C C 57 172.452 173.423 -0.971 2
1 650 . 1 1 A 57 57 SER CA C 57 59.008 57.148 1.860 2
1 651 . 1 1 A 57 57 SER CB C 57 67.802 66.123 1.679 2
1 652 . 1 1 A 57 57 SER N N 57 115.172 116.798 -1.626 2
1 653 . 1 1 A 58 58 PHE H H 58 8.623 8.685 -0.062 2
1 654 . 1 1 A 58 58 PHE HA H 58 4.904 5.638 -0.734 2
1 662 . 1 1 A 58 58 PHE C C 58 172.447 173.054 -0.607 2
1 663 . 1 1 A 58 58 PHE CA C 58 57.781 55.420 2.361 2
1 664 . 1 1 A 58 58 PHE CB C 58 40.736 42.917 -2.181 2
1 670 . 1 1 A 58 58 PHE N N 58 115.065 118.821 -3.756 2
1 671 . 1 1 A 59 59 GLU H H 59 8.721 8.949 -0.228 2
1 672 . 1 1 A 59 59 GLU HA H 59 5.595 5.382 0.213 2
1 677 . 1 1 A 59 59 GLU C C 59 175.836 175.571 0.265 2
1 678 . 1 1 A 59 59 GLU CA C 59 55.290 55.242 0.048 2
1 679 . 1 1 A 59 59 GLU CB C 59 34.345 32.950 1.395 2
1 681 . 1 1 A 59 59 GLU N N 59 118.122 119.687 -1.565 2
1 682 . 1 1 A 60 60 LEU H H 60 9.016 8.954 0.062 2
1 683 . 1 1 A 60 60 LEU HA H 60 5.221 5.007 0.214 2
1 693 . 1 1 A 60 60 LEU CA C 60 52.275 51.166 1.109 2
1 694 . 1 1 A 60 60 LEU CB C 60 46.774 45.729 1.045 2
1 698 . 1 1 A 60 60 LEU N N 60 121.299 124.868 -3.569 2
1 699 . 1 1 A 61 61 PRO HA H 61 4.614 4.678 -0.064 2
1 706 . 1 1 A 61 61 PRO C C 61 176.316 177.805 -1.489 2
1 707 . 1 1 A 61 61 PRO CA C 61 62.719 62.685 0.034 2
1 708 . 1 1 A 61 61 PRO CB C 61 33.758 32.767 0.991 2
1 711 . 1 1 A 62 62 ARG H H 62 8.017 8.720 -0.703 2
1 712 . 1 1 A 62 62 ARG HA H 62 3.738 3.903 -0.165 2
1 719 . 1 1 A 62 62 ARG C C 62 176.976 177.760 -0.784 2
1 720 . 1 1 A 62 62 ARG CA C 62 60.653 59.279 1.374 2
1 721 . 1 1 A 62 62 ARG CB C 62 31.549 29.802 1.747 2
1 724 . 1 1 A 62 62 ARG N N 62 118.159 122.398 -4.239 2
1 725 . 1 1 A 63 63 ASP H H 63 8.665 7.937 0.728 2
1 726 . 1 1 A 63 63 ASP HA H 63 4.484 4.546 -0.062 2
1 729 . 1 1 A 63 63 ASP C C 63 177.483 177.087 0.396 2
1 730 . 1 1 A 63 63 ASP CA C 63 57.335 56.449 0.886 2
1 731 . 1 1 A 63 63 ASP CB C 63 41.410 41.098 0.312 2
1 732 . 1 1 A 63 63 ASP N N 63 113.726 119.677 -5.951 2
1 733 . 1 1 A 64 64 THR H H 64 7.553 7.740 -0.187 2
1 734 . 1 1 A 64 64 THR HA H 64 4.562 4.785 -0.223 2
1 739 . 1 1 A 64 64 THR C C 64 175.654 175.389 0.265 2
1 740 . 1 1 A 64 64 THR CA C 64 61.499 60.920 0.579 2
1 741 . 1 1 A 64 64 THR CB C 64 69.606 69.595 0.011 2
1 743 . 1 1 A 64 64 THR N N 64 107.855 106.634 1.221 2
1 744 . 1 1 A 65 65 ALA H H 65 7.406 7.639 -0.233 2
1 745 . 1 1 A 65 65 ALA HA H 65 4.012 4.214 -0.202 2
1 749 . 1 1 A 65 65 ALA C C 65 176.820 179.648 -2.828 2
1 750 . 1 1 A 65 65 ALA CA C 65 55.939 54.934 1.006 2
1 751 . 1 1 A 65 65 ALA CB C 65 19.454 18.091 1.363 2
1 752 . 1 1 A 65 65 ALA N N 65 123.777 125.865 -2.088 2
1 753 . 1 1 A 66 66 PHE H H 66 7.583 7.580 0.003 2
1 754 . 1 1 A 66 66 PHE HA H 66 4.381 4.686 -0.305 2
1 762 . 1 1 A 66 66 PHE C C 66 176.104 177.516 -1.412 2
1 763 . 1 1 A 66 66 PHE CA C 66 58.836 60.944 -2.108 2
1 764 . 1 1 A 66 66 PHE CB C 66 37.740 38.028 -0.288 2
1 770 . 1 1 A 66 66 PHE N N 66 110.346 115.639 -5.293 2
1 771 . 1 1 A 67 67 ASN H H 67 7.984 8.355 -0.371 2
1 772 . 1 1 A 67 67 ASN HA H 67 4.848 4.868 -0.020 2
1 777 . 1 1 A 67 67 ASN C C 67 175.700 176.775 -1.075 2
1 778 . 1 1 A 67 67 ASN CA C 67 53.469 53.957 -0.488 2
1 779 . 1 1 A 67 67 ASN CB C 67 38.836 38.825 0.011 2
1 780 . 1 1 A 67 67 ASN N N 67 120.591 118.727 1.864 2
1 782 . 1 1 A 68 68 PHE H H 68 7.218 8.030 -0.812 2
1 783 . 1 1 A 68 68 PHE HA H 68 4.054 4.249 -0.195 2
1 790 . 1 1 A 68 68 PHE C C 68 174.796 177.021 -2.225 2
1 791 . 1 1 A 68 68 PHE CA C 68 60.849 60.148 0.701 2
1 792 . 1 1 A 68 68 PHE CB C 68 40.263 37.276 2.987 2
1 797 . 1 1 A 68 68 PHE N N 68 115.915 118.589 -2.674 2
1 798 . 1 1 A 69 69 ALA H H 69 7.780 7.598 0.182 2
1 799 . 1 1 A 69 69 ALA HA H 69 3.484 3.496 -0.012 2
1 803 . 1 1 A 69 69 ALA C C 69 180.022 179.473 0.549 2
1 804 . 1 1 A 69 69 ALA CA C 69 56.283 54.598 1.685 2
1 805 . 1 1 A 69 69 ALA CB C 69 18.935 17.923 1.012 2
1 806 . 1 1 A 69 69 ALA N N 69 124.604 123.508 1.096 2
1 807 . 1 1 A 70 70 SER H H 70 7.852 7.720 0.132 2
1 808 . 1 1 A 70 70 SER HA H 70 4.061 4.040 0.021 2
1 811 . 1 1 A 70 70 SER C C 70 177.054 176.086 0.968 2
1 812 . 1 1 A 70 70 SER CA C 70 62.085 61.530 0.555 2
1 813 . 1 1 A 70 70 SER CB C 70 62.976 62.898 0.078 2
1 814 . 1 1 A 70 70 SER N N 70 114.973 113.667 1.306 2
1 815 . 1 1 A 71 71 ASP H H 71 7.602 7.829 -0.227 2
1 816 . 1 1 A 71 71 ASP HA H 71 4.012 4.149 -0.137 2
1 819 . 1 1 A 71 71 ASP C C 71 177.086 177.918 -0.832 2
1 820 . 1 1 A 71 71 ASP CA C 71 58.501 56.754 1.747 2
1 821 . 1 1 A 71 71 ASP CB C 71 42.006 40.543 1.463 2
1 822 . 1 1 A 71 71 ASP N N 71 123.211 121.943 1.268 2
1 823 . 1 1 A 72 72 ALA H H 72 8.406 8.138 0.268 2
1 824 . 1 1 A 72 72 ALA HA H 72 3.671 4.202 -0.531 2
1 828 . 1 1 A 72 72 ALA C C 72 179.377 179.788 -0.411 2
1 829 . 1 1 A 72 72 ALA CA C 72 55.717 55.175 0.542 2
1 830 . 1 1 A 72 72 ALA CB C 72 18.658 18.632 0.026 2
1 831 . 1 1 A 72 72 ALA N N 72 119.793 121.557 -1.764 2
1 832 . 1 1 A 73 73 THR H H 73 7.631 7.643 -0.012 2
1 833 . 1 1 A 73 73 THR HA H 73 3.562 3.915 -0.353 2
1 838 . 1 1 A 73 73 THR C C 73 175.072 176.206 -1.133 2
1 839 . 1 1 A 73 73 THR CA C 73 68.525 66.362 2.163 2
1 840 . 1 1 A 73 73 THR CB C 73 69.564 68.378 1.186 2
1 842 . 1 1 A 73 73 THR N N 73 114.702 114.302 0.400 2
1 843 . 1 1 A 74 74 ARG H H 74 7.629 7.787 -0.158 2
1 844 . 1 1 A 74 74 ARG HA H 74 3.795 3.980 -0.185 2
1 851 . 1 1 A 74 74 ARG C C 74 176.832 178.501 -1.669 2
1 852 . 1 1 A 74 74 ARG CA C 74 60.580 58.806 1.774 2
1 853 . 1 1 A 74 74 ARG CB C 74 30.409 29.635 0.774 2
1 856 . 1 1 A 74 74 ARG N N 74 122.528 120.878 1.650 2
1 857 . 1 1 A 75 75 VAL H H 75 8.008 8.124 -0.116 2
1 858 . 1 1 A 75 75 VAL HA H 75 3.439 3.658 -0.219 2
1 866 . 1 1 A 75 75 VAL C C 75 177.802 177.785 0.017 2
1 867 . 1 1 A 75 75 VAL CA C 75 67.492 65.825 1.667 2
1 868 . 1 1 A 75 75 VAL CB C 75 32.220 31.496 0.724 2
1 871 . 1 1 A 75 75 VAL N N 75 120.044 119.471 0.573 2
1 872 . 1 1 A 76 76 ALA H H 76 8.092 7.925 0.167 2
1 873 . 1 1 A 76 76 ALA HA H 76 3.537 3.922 -0.385 2
1 877 . 1 1 A 76 76 ALA C C 76 180.078 179.718 0.360 2
1 878 . 1 1 A 76 76 ALA CA C 76 56.194 55.501 0.693 2
1 879 . 1 1 A 76 76 ALA CB C 76 18.882 18.072 0.810 2
1 880 . 1 1 A 76 76 ALA N N 76 120.726 122.516 -1.790 2
1 881 . 1 1 A 77 77 GLN H H 77 8.432 8.039 0.393 2
1 882 . 1 1 A 77 77 GLN HA H 77 4.428 4.055 0.373 2
1 885 . 1 1 A 77 77 GLN CA C 77 58.987 58.390 0.597 2
1 887 . 1 1 A 77 77 GLN N N 77 118.235 116.777 1.458 2
1 888 . 1 1 A 78 78 LYS H H 78 7.655 7.745 -0.090 2
1 889 . 1 1 A 78 78 LYS HA H 78 3.874 4.006 -0.132 2
1 898 . 1 1 A 78 78 LYS C C 78 177.044 178.021 -0.977 2
1 899 . 1 1 A 78 78 LYS CA C 78 59.393 58.711 0.682 2
1 900 . 1 1 A 78 78 LYS CB C 78 32.583 32.044 0.539 2
1 904 . 1 1 A 78 78 LYS N N 78 121.797 119.907 1.890 2
1 905 . 1 1 A 79 79 HIS H H 79 6.888 7.340 -0.452 2
1 906 . 1 1 A 79 79 HIS HA H 79 4.501 4.494 0.007 2
1 909 . 1 1 A 79 79 HIS C C 79 174.191 175.053 -0.862 2
1 910 . 1 1 A 79 79 HIS CA C 79 56.166 56.151 0.015 2
1 911 . 1 1 A 79 79 HIS CB C 79 30.993 29.863 1.130 2
1 912 . 1 1 A 79 79 HIS N N 79 115.368 115.810 -0.442 2
1 913 . 1 1 A 80 80 GLY H H 80 7.159 7.541 -0.382 2
1 914 . 1 1 A 80 80 GLY HA2 H 80 4.433 3.858 0.575 2
1 915 . 1 1 A 80 80 GLY HA3 H 80 3.541 3.880 -0.339 2
1 916 . 1 1 A 80 80 GLY C C 80 175.246 174.413 0.833 2
1 917 . 1 1 A 80 80 GLY CA C 80 45.823 45.916 -0.093 2
1 918 . 1 1 A 80 80 GLY N N 80 104.319 107.160 -2.841 2
1 919 . 1 1 A 81 81 LEU H H 81 7.962 7.796 0.166 2
1 920 . 1 1 A 81 81 LEU HA H 81 4.012 4.477 -0.465 2
1 930 . 1 1 A 81 81 LEU CA C 81 56.383 54.889 1.494 2
1 931 . 1 1 A 81 81 LEU CB C 81 43.506 43.367 0.139 2
1 935 . 1 1 A 81 81 LEU N N 81 124.945 121.938 3.007 2
1 936 . 1 1 A 83 83 PRO HA H 83 4.248 4.453 -0.205 2
1 943 . 1 1 A 83 83 PRO CA C 83 65.606 63.378 2.228 2
1 944 . 1 1 A 83 83 PRO CB C 83 32.805 31.579 1.226 2
1 947 . 1 1 A 84 84 LYS HA H 84 4.132 3.991 0.141 2
1 956 . 1 1 A 84 84 LYS CA C 84 59.351 59.088 0.263 2
1 957 . 1 1 A 84 84 LYS CB C 84 33.109 32.074 1.035 2
1 961 . 1 1 A 85 85 PHE HA H 85 3.941 4.291 -0.350 2
1 964 . 1 1 A 85 85 PHE CA C 85 59.693 60.154 -0.461 2
1 965 . 1 1 A 85 85 PHE CB C 85 39.968 38.961 1.007 2
1 966 . 1 1 A 86 86 GLY HA2 H 86 3.721 3.843 -0.122 2
1 967 . 1 1 A 86 86 GLY HA3 H 86 3.659 3.896 -0.237 2
1 968 . 1 1 A 86 86 GLY CA C 86 44.471 46.348 -1.877 2
1 969 . 1 1 A 87 87 ALA HA H 87 4.274 4.412 -0.138 2
1 973 . 1 1 A 87 87 ALA CA C 87 53.390 52.127 1.263 2
1 974 . 1 1 A 87 87 ALA CB C 87 20.262 19.345 0.917 2
1 975 . 1 1 A 88 88 ILE HA H 88 4.015 4.183 -0.168 2
1 985 . 1 1 A 88 88 ILE CA C 88 63.697 61.799 1.898 2
1 986 . 1 1 A 88 88 ILE CB C 88 38.931 38.183 0.748 2
1 990 . 1 1 A 89 89 THR HA H 89 4.224 4.168 0.056 2
1 994 . 1 1 A 89 89 THR CA C 89 63.088 64.551 -1.463 2
1 996 . 1 1 A 90 90 ARG HA H 90 4.105 4.273 -0.168 2
1 1003 . 1 1 A 90 90 ARG CA C 90 58.412 57.025 1.387 2
1 1004 . 1 1 A 90 90 ARG CB C 90 30.907 30.024 0.883 2
1 1007 . 1 1 A 91 91 VAL HA H 91 4.047 4.237 -0.190 2
1 1015 . 1 1 A 91 91 VAL C C 91 175.627 175.375 0.252 2
1 1016 . 1 1 A 91 91 VAL CA C 91 62.923 61.637 1.286 2
1 1017 . 1 1 A 91 91 VAL CB C 91 32.060 32.554 -0.494 2
1 1020 . 1 1 A 92 92 HIS HA H 92 4.567 4.587 -0.020 2
1 1023 . 1 1 A 92 92 HIS CA C 92 57.021 56.244 0.777 2
1 1024 . 1 1 A 92 92 HIS CB C 92 31.579 29.777 1.802 2
1 1025 . 1 1 A 93 93 LYS H H 93 8.490 8.359 0.131 2
1 1026 . 1 1 A 93 93 LYS HA H 93 4.149 4.308 -0.159 2
1 1035 . 1 1 A 93 93 LYS CA C 93 58.472 55.993 2.479 2
1 1036 . 1 1 A 93 93 LYS CB C 93 32.632 32.150 0.482 2
1 1040 . 1 1 A 93 93 LYS N N 93 123.001 122.268 0.733 2
1 1041 . 1 1 A 94 94 GLU HA H 94 4.265 4.312 -0.047 2
1 1046 . 1 1 A 94 94 GLU CA C 94 57.682 57.161 0.521 2
1 1047 . 1 1 A 94 94 GLU CB C 94 30.952 28.889 2.063 2
1 1049 . 1 1 A 95 95 TYR HA H 95 4.205 4.270 -0.065 2
1 1056 . 1 1 A 95 95 TYR C C 95 176.555 177.490 -0.935 2
1 1057 . 1 1 A 95 95 TYR CA C 95 60.582 61.167 -0.585 2
1 1058 . 1 1 A 95 95 TYR CB C 95 39.000 38.641 0.359 2
1 1063 . 1 1 A 96 96 ASP H H 96 8.104 8.344 -0.240 2
1 1064 . 1 1 A 96 96 ASP HA H 96 4.252 4.196 0.056 2
1 1067 . 1 1 A 96 96 ASP CA C 96 58.583 57.351 1.232 2
1 1068 . 1 1 A 96 96 ASP CB C 96 41.058 40.706 0.352 2
1 1069 . 1 1 A 96 96 ASP N N 96 120.068 119.437 0.631 2
1 1070 . 1 1 A 97 97 ALA HA H 97 3.964 4.107 -0.143 2
1 1074 . 1 1 A 97 97 ALA C C 97 179.912 179.525 0.387 2
1 1075 . 1 1 A 97 97 ALA CA C 97 55.582 55.275 0.307 2
1 1076 . 1 1 A 97 97 ALA CB C 97 18.849 18.339 0.510 2
1 1077 . 1 1 A 98 98 MET H H 98 7.422 7.933 -0.511 2
1 1078 . 1 1 A 98 98 MET HA H 98 3.847 4.100 -0.253 2
1 1083 . 1 1 A 98 98 MET C C 98 177.185 178.227 -1.042 2
1 1084 . 1 1 A 98 98 MET CA C 98 59.943 58.358 1.585 2
1 1085 . 1 1 A 98 98 MET CB C 98 32.583 32.029 0.554 2
1 1087 . 1 1 A 98 98 MET N N 98 120.651 118.284 2.367 2
1 1088 . 1 1 A 99 99 PHE H H 99 8.652 8.541 0.111 2
1 1089 . 1 1 A 99 99 PHE HA H 99 4.150 4.074 0.076 2
1 1097 . 1 1 A 99 99 PHE C C 99 177.911 177.757 0.154 2
1 1098 . 1 1 A 99 99 PHE CA C 99 61.936 61.738 0.198 2
1 1099 . 1 1 A 99 99 PHE CB C 99 39.302 38.996 0.306 2
1 1105 . 1 1 A 99 99 PHE N N 99 119.857 120.901 -1.044 2
1 1106 . 1 1 A 100 100 GLU H H 100 8.232 8.247 -0.015 2
1 1107 . 1 1 A 100 100 GLU HA H 100 4.094 4.124 -0.030 2
1 1112 . 1 1 A 100 100 GLU CA C 100 59.579 59.483 0.096 2
1 1113 . 1 1 A 100 100 GLU CB C 100 29.878 29.019 0.859 2
1 1115 . 1 1 A 100 100 GLU N N 100 117.666 118.188 -0.522 2
1 1116 . 1 1 A 101 101 ASP HA H 101 4.568 4.457 0.111 2
1 1119 . 1 1 A 101 101 ASP C C 101 177.667 178.640 -0.973 2
1 1120 . 1 1 A 101 101 ASP CA C 101 58.940 57.709 1.231 2
1 1121 . 1 1 A 101 101 ASP CB C 101 43.462 41.502 1.960 2
1 1122 . 1 1 A 102 102 ILE H H 102 8.370 8.066 0.304 2
1 1123 . 1 1 A 102 102 ILE HA H 102 3.319 3.630 -0.311 2
1 1133 . 1 1 A 102 102 ILE C C 102 177.347 178.365 -1.018 2
1 1134 . 1 1 A 102 102 ILE CA C 102 67.567 65.287 2.280 2
1 1135 . 1 1 A 102 102 ILE CB C 102 38.766 37.506 1.260 2
1 1139 . 1 1 A 102 102 ILE N N 102 118.449 119.415 -0.966 2
1 1140 . 1 1 A 103 103 ARG H H 103 8.450 8.293 0.157 2
1 1141 . 1 1 A 103 103 ARG HA H 103 3.834 4.234 -0.400 2
1 1148 . 1 1 A 103 103 ARG C C 103 178.760 178.393 0.367 2
1 1149 . 1 1 A 103 103 ARG CA C 103 61.318 58.673 2.645 2
1 1150 . 1 1 A 103 103 ARG CB C 103 30.978 29.880 1.098 2
1 1153 . 1 1 A 103 103 ARG N N 103 118.941 120.670 -1.729 2
1 1154 . 1 1 A 104 104 ALA H H 104 8.289 7.840 0.449 2
1 1155 . 1 1 A 104 104 ALA HA H 104 4.072 4.117 -0.045 2
1 1159 . 1 1 A 104 104 ALA C C 104 181.340 179.556 1.784 2
1 1160 . 1 1 A 104 104 ALA CA C 104 56.021 55.268 0.753 2
1 1161 . 1 1 A 104 104 ALA CB C 104 18.962 18.361 0.601 2
1 1162 . 1 1 A 104 104 ALA N N 104 121.028 122.298 -1.270 2
1 1163 . 1 1 A 105 105 LYS H H 105 8.231 7.958 0.273 2
1 1164 . 1 1 A 105 105 LYS HA H 105 4.013 4.012 0.001 2
1 1173 . 1 1 A 105 105 LYS C C 105 179.414 179.214 0.200 2
1 1174 . 1 1 A 105 105 LYS CA C 105 60.025 59.383 0.642 2
1 1175 . 1 1 A 105 105 LYS CB C 105 34.341 32.211 2.130 2
1 1179 . 1 1 A 105 105 LYS N N 105 118.789 118.246 0.543 2
1 1180 . 1 1 A 106 106 LEU H H 106 8.289 8.299 -0.010 2
1 1181 . 1 1 A 106 106 LEU HA H 106 4.043 4.025 0.018 2
1 1191 . 1 1 A 106 106 LEU C C 106 178.091 178.639 -0.548 2
1 1192 . 1 1 A 106 106 LEU CA C 106 57.469 57.608 -0.139 2
1 1193 . 1 1 A 106 106 LEU CB C 106 43.248 41.364 1.884 2
1 1197 . 1 1 A 106 106 LEU N N 106 119.086 119.569 -0.483 2
1 1198 . 1 1 A 107 107 HIS H H 107 7.861 7.958 -0.097 2
1 1199 . 1 1 A 107 107 HIS HA H 107 4.428 4.359 0.069 2
1 1203 . 1 1 A 107 107 HIS C C 107 175.263 174.902 0.361 2
1 1204 . 1 1 A 107 107 HIS CA C 107 58.218 58.568 -0.349 2
1 1205 . 1 1 A 107 107 HIS CB C 107 30.819 30.352 0.467 2
1 1207 . 1 1 A 107 107 HIS N N 107 118.172 118.435 -0.263 2
1 1208 . 1 1 A 108 108 ALA H H 108 7.505 7.799 -0.294 2
1 1209 . 1 1 A 108 108 ALA HA H 108 4.218 3.883 0.335 2
1 1213 . 1 1 A 108 108 ALA C C 108 179.374 175.912 3.462 2
1 1214 . 1 1 A 108 108 ALA CA C 108 53.303 53.897 -0.594 2
1 1215 . 1 1 A 108 108 ALA CB C 108 20.005 17.695 2.310 2
1 1216 . 1 1 A 108 108 ALA N N 108 121.363 120.681 0.682 2
1 1217 . 1 1 A 109 109 HIS H H 109 7.987 7.822 0.165 2
1 1218 . 1 1 A 109 109 HIS HA H 109 4.770 4.975 -0.205 2
1 1221 . 1 1 A 109 109 HIS CA C 109 55.217 53.762 1.455 2
1 1222 . 1 1 A 109 109 HIS CB C 109 31.250 32.385 -1.135 2
1 1223 . 1 1 A 109 109 HIS N N 109 120.133 116.536 3.597 2
1 1224 . 1 1 A 110 110 PRO HA H 110 4.368 4.501 -0.133 2
1 1231 . 1 1 A 110 110 PRO C C 110 177.350 176.587 0.763 2
1 1232 . 1 1 A 110 110 PRO CA C 110 64.430 63.053 1.377 2
1 1233 . 1 1 A 110 110 PRO CB C 110 32.912 31.293 1.619 2
1 1236 . 1 1 A 111 111 GLY H H 111 8.492 8.504 -0.012 2
1 1237 . 1 1 A 111 111 GLY HA2 H 111 3.925 3.980 -0.055 2
1 1238 . 1 1 A 111 111 GLY HA3 H 111 3.925 4.011 -0.086 2
1 1239 . 1 1 A 111 111 GLY C C 111 173.681 173.871 -0.190 2
1 1240 . 1 1 A 111 111 GLY CA C 111 45.831 46.086 -0.255 2
1 1241 . 1 1 A 111 111 GLY N N 111 109.622 109.579 0.043 2
1 1242 . 1 1 A 112 112 GLU H H 112 8.139 8.027 0.112 2
1 1243 . 1 1 A 112 112 GLU HA H 112 4.573 4.664 -0.091 2
1 1248 . 1 1 A 112 112 GLU CA C 112 55.099 54.511 0.588 2
1 1249 . 1 1 A 112 112 GLU CB C 112 30.664 30.124 0.540 2
1 1251 . 1 1 A 112 112 GLU N N 112 121.771 120.409 1.362 2
1 1252 . 1 1 A 113 113 PRO HA H 113 4.411 4.650 -0.239 2
1 1259 . 1 1 A 113 113 PRO C C 113 176.943 176.068 0.875 2
1 1260 . 1 1 A 113 113 PRO CA C 113 63.990 62.655 1.335 2
1 1261 . 1 1 A 113 113 PRO CB C 113 32.817 31.634 1.183 2
1 1264 . 1 1 A 114 114 VAL H H 114 8.226 8.299 -0.073 2
1 1265 . 1 1 A 114 114 VAL HA H 114 4.036 4.328 -0.292 2
1 1273 . 1 1 A 114 114 VAL C C 114 175.708 175.975 -0.267 2
1 1274 . 1 1 A 114 114 VAL CA C 114 63.021 61.545 1.476 2
1 1275 . 1 1 A 114 114 VAL CB C 114 33.996 33.003 0.993 2
1 1278 . 1 1 A 114 114 VAL N N 114 120.138 122.007 -1.869 2
1 1279 . 1 1 A 115 115 ASP H H 115 8.313 8.817 -0.504 2
1 1280 . 1 1 A 115 115 ASP HA H 115 4.587 4.865 -0.278 2
1 1283 . 1 1 A 115 115 ASP C C 115 176.361 177.047 -0.686 2
1 1284 . 1 1 A 115 115 ASP CA C 115 54.760 53.889 0.871 2
1 1285 . 1 1 A 115 115 ASP CB C 115 41.888 40.759 1.129 2
1 1286 . 1 1 A 115 115 ASP N N 115 123.840 127.574 -3.734 2
1 1287 . 1 1 A 116 116 LEU H H 116 8.202 8.064 0.138 2
1 1288 . 1 1 A 116 116 LEU HA H 116 4.168 3.976 0.192 2
1 1298 . 1 1 A 116 116 LEU C C 116 177.811 178.299 -0.488 2
1 1299 . 1 1 A 116 116 LEU CA C 116 56.696 57.788 -1.092 2
1 1300 . 1 1 A 116 116 LEU CB C 116 43.084 41.436 1.648 2
1 1304 . 1 1 A 116 116 LEU N N 116 123.362 119.746 3.616 2
1 1305 . 1 1 A 117 117 GLU H H 117 8.311 8.185 0.126 2
1 1306 . 1 1 A 117 117 GLU HA H 117 4.141 4.199 -0.058 2
1 1311 . 1 1 A 117 117 GLU C C 117 176.687 178.207 -1.520 2
1 1312 . 1 1 A 117 117 GLU CA C 117 57.937 58.111 -0.175 2
1 1313 . 1 1 A 117 117 GLU CB C 117 30.685 29.535 1.150 2
1 1315 . 1 1 A 117 117 GLU N N 117 119.881 119.218 0.663 2
1 1316 . 1 1 A 118 118 ARG H H 118 7.930 7.899 0.031 2
1 1317 . 1 1 A 118 118 ARG HA H 118 4.223 4.182 0.041 2
1 1324 . 1 1 A 118 118 ARG C C 118 176.125 178.282 -2.157 2
1 1325 . 1 1 A 118 118 ARG CA C 118 57.133 58.133 -1.000 2
1 1326 . 1 1 A 118 118 ARG CB C 118 31.445 30.048 1.397 2
1 1329 . 1 1 A 118 118 ARG N N 118 120.580 120.557 0.023 2
1 1330 . 1 1 A 119 119 ILE H H 119 7.926 7.608 0.318 2
1 1331 . 1 1 A 119 119 ILE HA H 119 4.041 4.022 0.019 2
1 1341 . 1 1 A 119 119 ILE C C 119 176.166 176.504 -0.337 2
1 1342 . 1 1 A 119 119 ILE CA C 119 62.131 63.523 -1.392 2
1 1343 . 1 1 A 119 119 ILE CB C 119 39.327 37.788 1.539 2
1 1347 . 1 1 A 119 119 ILE N N 119 121.721 118.425 3.296 2
1 1348 . 1 1 A 120 120 ILE H H 120 8.152 7.852 0.300 2
1 1349 . 1 1 A 120 120 ILE HA H 120 4.038 4.120 -0.082 2
1 1359 . 1 1 A 120 120 ILE C C 120 175.922 175.422 0.500 2
1 1360 . 1 1 A 120 120 ILE CA C 120 61.812 61.753 0.059 2
1 1361 . 1 1 A 120 120 ILE CB C 120 39.091 37.057 2.034 2
1 1365 . 1 1 A 120 120 ILE N N 120 125.274 121.028 4.246 2
1 1366 . 1 1 A 121 121 ARG H H 121 8.266 8.268 -0.002 2
1 1367 . 1 1 A 121 121 ARG HA H 121 4.293 4.530 -0.237 2
1 1374 . 1 1 A 121 121 ARG CA C 121 56.489 55.966 0.523 2
1 1375 . 1 1 A 121 121 ARG CB C 121 31.785 31.231 0.554 2
1 1378 . 1 1 A 121 121 ARG N N 121 125.412 124.423 0.989 2
1 1379 . 1 1 A 122 122 HIS HA H 122 5.066 4.890 0.176 2
1 1383 . 1 1 A 122 122 HIS C C 122 175.210 174.414 0.796 2
1 1384 . 1 1 A 122 122 HIS CA C 122 56.554 55.518 1.036 2
1 1385 . 1 1 A 122 122 HIS CB C 122 32.905 32.204 0.701 2
1 1387 . 1 1 A 123 123 GLU H H 123 8.936 8.775 0.161 2
1 1388 . 1 1 A 123 123 GLU N N 123 121.008 123.159 -2.151 2
1 1389 . 1 1 A 124 124 GLY HA2 H 124 3.984 3.994 -0.010 2
1 1390 . 1 1 A 124 124 GLY HA3 H 124 3.913 4.015 -0.102 2
1 1391 . 1 1 A 124 124 GLY C C 124 173.408 173.548 -0.140 2
1 1392 . 1 1 A 124 124 GLY CA C 124 46.124 46.133 -0.009 2
stop_
save_