data_10275_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10275
_Entry.PDB_ID 2YU0
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER H H 6 8.063 8.133 -0.070 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.493 4.749 -0.256 1
1 5 . 1 1 1 A 6 6 SER CA C 6 59.071 57.891 1.180 1
1 6 . 1 1 1 A 6 6 SER CB C 6 63.626 63.504 0.122 1
1 7 . 1 1 1 A 7 7 GLY H H 7 8.424 8.057 0.367 1
1 8 . 1 1 1 A 7 7 GLY HA2 H 7 3.985 3.959 0.026 1
1 9 . 1 1 1 A 7 7 GLY HA3 H 7 3.834 3.960 -0.126 1
1 10 . 1 1 1 A 7 7 GLY CA C 7 47.092 46.647 0.445 1
1 11 . 1 1 1 A 7 7 GLY N N 7 109.548 109.407 0.141 1
1 12 . 1 1 1 A 8 8 ILE H H 8 7.565 8.045 -0.480 1
1 13 . 1 1 1 A 8 8 ILE HA H 8 3.883 4.767 -0.884 1
1 23 . 1 1 1 A 8 8 ILE CA C 8 63.805 60.454 3.351 1
1 24 . 1 1 1 A 8 8 ILE CB C 8 37.866 39.434 -1.568 1
1 28 . 1 1 1 A 8 8 ILE N N 8 123.348 122.358 0.990 1
1 29 . 1 1 1 A 9 9 VAL H H 9 7.538 8.758 -1.220 1
1 30 . 1 1 1 A 9 9 VAL HA H 9 3.471 4.665 -1.194 1
1 38 . 1 1 1 A 9 9 VAL CA C 9 66.382 60.387 5.995 1
1 39 . 1 1 1 A 9 9 VAL CB C 9 31.755 35.700 -3.945 1
1 42 . 1 1 1 A 9 9 VAL N N 9 121.471 126.306 -4.835 1
1 43 . 1 1 1 A 10 10 LEU H H 10 7.941 9.071 -1.130 1
1 44 . 1 1 1 A 10 10 LEU HA H 10 3.848 4.009 -0.161 1
1 54 . 1 1 1 A 10 10 LEU CA C 10 58.619 57.466 1.153 1
1 55 . 1 1 1 A 10 10 LEU CB C 10 41.377 41.889 -0.512 1
1 59 . 1 1 1 A 10 10 LEU N N 10 119.521 126.359 -6.838 1
1 60 . 1 1 1 A 11 11 LEU H H 11 8.207 7.673 0.534 1
1 61 . 1 1 1 A 11 11 LEU HA H 11 3.792 4.195 -0.403 1
1 71 . 1 1 1 A 11 11 LEU CA C 11 58.241 56.741 1.500 1
1 72 . 1 1 1 A 11 11 LEU CB C 11 41.790 42.834 -1.044 1
1 76 . 1 1 1 A 11 11 LEU N N 11 119.938 119.502 0.436 1
1 77 . 1 1 1 A 12 12 ARG H H 12 7.904 8.164 -0.260 1
1 78 . 1 1 1 A 12 12 ARG HA H 12 3.966 3.938 0.028 1
1 85 . 1 1 1 A 12 12 ARG CA C 12 59.301 59.792 -0.491 1
1 86 . 1 1 1 A 12 12 ARG CB C 12 30.132 30.389 -0.257 1
1 89 . 1 1 1 A 12 12 ARG N N 12 116.799 119.527 -2.728 1
1 90 . 1 1 1 A 13 13 GLY H H 13 8.190 7.816 0.374 1
1 91 . 1 1 1 A 13 13 GLY HA2 H 13 3.740 3.853 -0.113 1
1 92 . 1 1 1 A 13 13 GLY HA3 H 13 3.437 3.860 -0.423 1
1 93 . 1 1 1 A 13 13 GLY CA C 13 47.988 46.873 1.115 1
1 94 . 1 1 1 A 13 13 GLY N N 13 107.618 106.644 0.974 1
1 95 . 1 1 1 A 14 14 LEU H H 14 8.515 7.770 0.745 1
1 96 . 1 1 1 A 14 14 LEU HA H 14 3.785 4.184 -0.399 1
1 106 . 1 1 1 A 14 14 LEU C C 14 178.232 178.768 -0.536 1
1 107 . 1 1 1 A 14 14 LEU CA C 14 57.401 57.574 -0.173 1
1 108 . 1 1 1 A 14 14 LEU CB C 14 41.981 41.940 0.041 1
1 112 . 1 1 1 A 14 14 LEU N N 14 120.161 122.327 -2.166 1
1 113 . 1 1 1 A 15 15 GLU H H 15 7.931 8.405 -0.474 1
1 114 . 1 1 1 A 15 15 GLU HA H 15 4.030 3.876 0.154 1
1 119 . 1 1 1 A 15 15 GLU CA C 15 57.961 59.433 -1.472 1
1 120 . 1 1 1 A 15 15 GLU CB C 15 30.140 29.202 0.938 1
1 122 . 1 1 1 A 15 15 GLU N N 15 114.703 117.150 -2.447 1
1 123 . 1 1 1 A 16 16 CYS H H 16 7.612 8.042 -0.430 1
1 124 . 1 1 1 A 16 16 CYS HA H 16 4.457 4.114 0.343 1
1 127 . 1 1 1 A 16 16 CYS CA C 16 60.982 62.236 -1.254 1
1 128 . 1 1 1 A 16 16 CYS CB C 16 27.917 26.708 1.209 1
1 129 . 1 1 1 A 16 16 CYS N N 16 114.695 118.888 -4.193 1
1 130 . 1 1 1 A 17 17 ILE H H 17 7.142 7.309 -0.167 1
1 131 . 1 1 1 A 17 17 ILE HA H 17 4.533 4.413 0.120 1
1 141 . 1 1 1 A 17 17 ILE CA C 17 61.521 60.547 0.974 1
1 142 . 1 1 1 A 17 17 ILE CB C 17 39.206 39.311 -0.105 1
1 146 . 1 1 1 A 17 17 ILE N N 17 115.031 116.849 -1.818 1
1 147 . 1 1 1 A 18 18 ASN H H 18 8.325 9.108 -0.783 1
1 148 . 1 1 1 A 18 18 ASN HA H 18 4.575 4.809 -0.234 1
1 153 . 1 1 1 A 18 18 ASN C C 18 175.171 176.866 -1.695 1
1 154 . 1 1 1 A 18 18 ASN CA C 18 53.278 53.227 0.051 1
1 155 . 1 1 1 A 18 18 ASN CB C 18 38.419 38.835 -0.416 1
1 156 . 1 1 1 A 18 18 ASN N N 18 119.943 121.905 -1.962 1
1 158 . 1 1 1 A 19 19 LYS H H 19 8.514 9.142 -0.628 1
1 159 . 1 1 1 A 19 19 LYS HA H 19 4.242 4.060 0.182 1
1 168 . 1 1 1 A 19 19 LYS C C 19 178.868 178.309 0.559 1
1 169 . 1 1 1 A 19 19 LYS CA C 19 60.006 60.145 -0.139 1
1 170 . 1 1 1 A 19 19 LYS CB C 19 32.291 32.384 -0.093 1
1 174 . 1 1 1 A 19 19 LYS N N 19 118.191 125.099 -6.908 1
1 175 . 1 1 1 A 20 20 HIS H H 20 8.328 8.080 0.248 1
1 176 . 1 1 1 A 20 20 HIS HA H 20 4.371 4.271 0.100 1
1 181 . 1 1 1 A 20 20 HIS C C 20 178.335 176.387 1.948 1
1 182 . 1 1 1 A 20 20 HIS CA C 20 59.785 59.397 0.388 1
1 183 . 1 1 1 A 20 20 HIS CB C 20 29.879 30.222 -0.343 1
1 186 . 1 1 1 A 20 20 HIS N N 20 120.900 119.568 1.332 1
1 187 . 1 1 1 A 21 21 TYR H H 21 8.464 7.884 0.580 1
1 188 . 1 1 1 A 21 21 TYR HA H 21 4.540 4.086 0.454 1
1 195 . 1 1 1 A 21 21 TYR C C 21 178.222 178.581 -0.359 1
1 196 . 1 1 1 A 21 21 TYR CA C 21 61.863 61.532 0.331 1
1 197 . 1 1 1 A 21 21 TYR CB C 21 38.012 37.910 0.102 1
1 202 . 1 1 1 A 21 21 TYR N N 21 118.132 117.281 0.851 1
1 203 . 1 1 1 A 22 22 PHE H H 22 9.095 8.338 0.757 1
1 204 . 1 1 1 A 22 22 PHE HA H 22 4.616 4.118 0.498 1
1 212 . 1 1 1 A 22 22 PHE C C 22 177.409 177.091 0.318 1
1 213 . 1 1 1 A 22 22 PHE CA C 22 59.761 61.969 -2.208 1
1 214 . 1 1 1 A 22 22 PHE CB C 22 38.982 39.075 -0.093 1
1 220 . 1 1 1 A 22 22 PHE N N 22 121.771 120.979 0.792 1
1 221 . 1 1 1 A 23 23 SER H H 23 8.400 8.439 -0.039 1
1 222 . 1 1 1 A 23 23 SER HA H 23 3.785 3.811 -0.026 1
1 225 . 1 1 1 A 23 23 SER C C 23 177.318 177.258 0.060 1
1 226 . 1 1 1 A 23 23 SER CA C 23 62.453 61.580 0.873 1
1 227 . 1 1 1 A 23 23 SER CB C 23 62.279 62.965 -0.686 1
1 228 . 1 1 1 A 23 23 SER N N 23 115.511 113.599 1.912 1
1 229 . 1 1 1 A 24 24 LEU H H 24 7.737 8.144 -0.407 1
1 230 . 1 1 1 A 24 24 LEU HA H 24 4.118 3.918 0.200 1
1 240 . 1 1 1 A 24 24 LEU C C 24 178.956 178.782 0.174 1
1 241 . 1 1 1 A 24 24 LEU CA C 24 57.992 57.791 0.201 1
1 242 . 1 1 1 A 24 24 LEU CB C 24 42.066 42.081 -0.015 1
1 246 . 1 1 1 A 24 24 LEU N N 24 123.378 121.863 1.515 1
1 247 . 1 1 1 A 25 25 PHE H H 25 8.643 7.714 0.929 1
1 248 . 1 1 1 A 25 25 PHE HA H 25 3.475 3.359 0.116 1
1 256 . 1 1 1 A 25 25 PHE C C 25 176.905 177.188 -0.283 1
1 257 . 1 1 1 A 25 25 PHE CA C 25 61.196 61.182 0.014 1
1 258 . 1 1 1 A 25 25 PHE CB C 25 38.741 38.650 0.091 1
1 264 . 1 1 1 A 25 25 PHE N N 25 122.640 118.528 4.112 1
1 265 . 1 1 1 A 26 26 LYS H H 26 8.022 7.690 0.332 1
1 266 . 1 1 1 A 26 26 LYS HA H 26 3.197 3.608 -0.411 1
1 275 . 1 1 1 A 26 26 LYS C C 26 177.424 178.735 -1.311 1
1 276 . 1 1 1 A 26 26 LYS CA C 26 61.439 60.393 1.046 1
1 277 . 1 1 1 A 26 26 LYS CB C 26 32.363 31.720 0.643 1
1 281 . 1 1 1 A 26 26 LYS N N 26 116.023 117.643 -1.620 1
1 282 . 1 1 1 A 27 27 SER H H 27 7.473 7.700 -0.227 1
1 283 . 1 1 1 A 27 27 SER HA H 27 4.134 4.426 -0.292 1
1 286 . 1 1 1 A 27 27 SER C C 27 177.449 176.654 0.795 1
1 287 . 1 1 1 A 27 27 SER CA C 27 61.544 62.416 -0.872 1
1 288 . 1 1 1 A 27 27 SER CB C 27 62.828 62.827 0.001 1
1 289 . 1 1 1 A 27 27 SER N N 27 111.668 117.180 -5.512 1
1 290 . 1 1 1 A 28 28 LEU H H 28 7.625 7.815 -0.190 1
1 291 . 1 1 1 A 28 28 LEU HA H 28 4.117 4.099 0.018 1
1 301 . 1 1 1 A 28 28 LEU C C 28 179.076 178.101 0.975 1
1 302 . 1 1 1 A 28 28 LEU CA C 28 57.336 57.222 0.114 1
1 303 . 1 1 1 A 28 28 LEU CB C 28 41.585 41.779 -0.194 1
1 307 . 1 1 1 A 28 28 LEU N N 28 123.121 120.060 3.061 1
1 308 . 1 1 1 A 29 29 LEU H H 29 7.391 7.188 0.203 1
1 309 . 1 1 1 A 29 29 LEU HA H 29 4.276 4.277 -0.001 1
1 319 . 1 1 1 A 29 29 LEU C C 29 177.606 177.873 -0.267 1
1 320 . 1 1 1 A 29 29 LEU CA C 29 54.243 55.301 -1.058 1
1 321 . 1 1 1 A 29 29 LEU CB C 29 41.665 42.224 -0.559 1
1 325 . 1 1 1 A 29 29 LEU N N 29 119.910 117.807 2.103 1
1 326 . 1 1 1 A 30 30 ALA H H 30 7.242 7.959 -0.717 1
1 327 . 1 1 1 A 30 30 ALA HA H 30 3.505 3.874 -0.369 1
1 331 . 1 1 1 A 30 30 ALA C C 30 179.568 179.522 0.046 1
1 332 . 1 1 1 A 30 30 ALA CA C 30 56.470 55.425 1.045 1
1 333 . 1 1 1 A 30 30 ALA CB C 30 18.818 18.502 0.316 1
1 334 . 1 1 1 A 30 30 ALA N N 30 122.470 122.368 0.102 1
1 335 . 1 1 1 A 31 31 ARG H H 31 8.256 7.843 0.413 1
1 336 . 1 1 1 A 31 31 ARG HA H 31 4.142 4.067 0.075 1
1 343 . 1 1 1 A 31 31 ARG C C 31 179.303 178.414 0.889 1
1 344 . 1 1 1 A 31 31 ARG CA C 31 58.917 59.062 -0.145 1
1 345 . 1 1 1 A 31 31 ARG CB C 31 29.407 29.999 -0.592 1
1 348 . 1 1 1 A 31 31 ARG N N 31 116.240 116.974 -0.734 1
1 349 . 1 1 1 A 32 32 ASP H H 32 8.205 8.138 0.067 1
1 350 . 1 1 1 A 32 32 ASP HA H 32 4.334 4.433 -0.099 1
1 353 . 1 1 1 A 32 32 ASP C C 32 177.470 178.412 -0.942 1
1 354 . 1 1 1 A 32 32 ASP CA C 32 57.336 57.119 0.217 1
1 355 . 1 1 1 A 32 32 ASP CB C 32 41.582 40.803 0.779 1
1 356 . 1 1 1 A 32 32 ASP N N 32 120.398 119.893 0.505 1
1 357 . 1 1 1 A 33 33 LEU H H 33 7.933 8.168 -0.235 1
1 358 . 1 1 1 A 33 33 LEU HA H 33 4.206 4.147 0.059 1
1 368 . 1 1 1 A 33 33 LEU C C 33 175.261 176.491 -1.230 1
1 369 . 1 1 1 A 33 33 LEU CA C 33 53.700 55.572 -1.872 1
1 370 . 1 1 1 A 33 33 LEU CB C 33 41.306 42.054 -0.748 1
1 374 . 1 1 1 A 33 33 LEU N N 33 113.338 117.919 -4.581 1
1 375 . 1 1 1 A 34 34 ASN H H 34 7.688 8.105 -0.417 1
1 376 . 1 1 1 A 34 34 ASN HA H 34 4.307 4.670 -0.363 1
1 381 . 1 1 1 A 34 34 ASN C C 34 175.092 174.594 0.498 1
1 382 . 1 1 1 A 34 34 ASN CA C 34 53.960 54.347 -0.387 1
1 383 . 1 1 1 A 34 34 ASN CB C 34 37.073 37.243 -0.170 1
1 384 . 1 1 1 A 34 34 ASN N N 34 116.912 117.490 -0.578 1
1 386 . 1 1 1 A 35 35 LEU H H 35 8.177 7.608 0.569 1
1 387 . 1 1 1 A 35 35 LEU HA H 35 4.008 4.373 -0.365 1
1 397 . 1 1 1 A 35 35 LEU C C 35 177.637 177.297 0.340 1
1 398 . 1 1 1 A 35 35 LEU CA C 35 54.233 54.982 -0.749 1
1 399 . 1 1 1 A 35 35 LEU CB C 35 41.024 42.610 -1.586 1
1 403 . 1 1 1 A 35 35 LEU N N 35 115.363 120.205 -4.842 1
1 404 . 1 1 1 A 36 36 GLU H H 36 8.419 8.949 -0.530 1
1 405 . 1 1 1 A 36 36 GLU HA H 36 4.175 4.446 -0.271 1
1 410 . 1 1 1 A 36 36 GLU C C 36 177.626 177.697 -0.071 1
1 411 . 1 1 1 A 36 36 GLU CA C 36 56.872 56.215 0.657 1
1 412 . 1 1 1 A 36 36 GLU CB C 36 29.675 30.716 -1.041 1
1 414 . 1 1 1 A 36 36 GLU N N 36 122.591 120.346 2.245 1
1 415 . 1 1 1 A 37 37 ARG H H 37 8.577 8.676 -0.099 1
1 416 . 1 1 1 A 37 37 ARG HA H 37 3.889 4.336 -0.447 1
1 423 . 1 1 1 A 37 37 ARG C C 37 178.119 176.945 1.174 1
1 424 . 1 1 1 A 37 37 ARG CA C 37 58.924 57.624 1.300 1
1 425 . 1 1 1 A 37 37 ARG CB C 37 30.074 31.473 -1.399 1
1 428 . 1 1 1 A 37 37 ARG N N 37 124.790 121.175 3.615 1
1 429 . 1 1 1 A 38 38 ASP H H 38 8.623 8.050 0.573 1
1 430 . 1 1 1 A 38 38 ASP HA H 38 4.591 4.793 -0.202 1
1 433 . 1 1 1 A 38 38 ASP C C 38 176.021 176.706 -0.685 1
1 434 . 1 1 1 A 38 38 ASP CA C 38 55.073 53.856 1.217 1
1 435 . 1 1 1 A 38 38 ASP CB C 38 40.722 42.189 -1.467 1
1 436 . 1 1 1 A 38 38 ASP N N 38 116.313 118.224 -1.911 1
1 437 . 1 1 1 A 39 39 ASN H H 39 7.668 7.834 -0.166 1
1 438 . 1 1 1 A 39 39 ASN HA H 39 4.936 5.031 -0.095 1
1 443 . 1 1 1 A 39 39 ASN C C 39 175.702 175.484 0.218 1
1 444 . 1 1 1 A 39 39 ASN CA C 39 52.626 52.524 0.102 1
1 445 . 1 1 1 A 39 39 ASN CB C 39 38.966 39.058 -0.092 1
1 446 . 1 1 1 A 39 39 ASN N N 39 116.330 117.698 -1.368 1
1 448 . 1 1 1 A 40 40 GLN H H 40 8.324 7.861 0.463 1
1 449 . 1 1 1 A 40 40 GLN HA H 40 4.285 4.357 -0.072 1
1 456 . 1 1 1 A 40 40 GLN C C 40 178.897 176.858 2.039 1
1 457 . 1 1 1 A 40 40 GLN CA C 40 58.513 57.081 1.432 1
1 458 . 1 1 1 A 40 40 GLN CB C 40 29.225 28.679 0.546 1
1 460 . 1 1 1 A 40 40 GLN N N 40 119.556 119.220 0.336 1
1 462 . 1 1 1 A 41 41 GLU H H 41 8.956 7.874 1.082 1
1 463 . 1 1 1 A 41 41 GLU HA H 41 3.950 4.282 -0.332 1
1 468 . 1 1 1 A 41 41 GLU C C 41 176.712 179.252 -2.540 1
1 469 . 1 1 1 A 41 41 GLU CA C 41 58.716 57.988 0.728 1
1 470 . 1 1 1 A 41 41 GLU CB C 41 29.124 30.203 -1.079 1
1 472 . 1 1 1 A 41 41 GLU N N 41 121.919 118.542 3.377 1
1 473 . 1 1 1 A 42 42 GLN H H 42 7.634 8.191 -0.557 1
1 474 . 1 1 1 A 42 42 GLN HA H 42 4.052 4.170 -0.118 1
1 481 . 1 1 1 A 42 42 GLN C C 42 176.286 176.059 0.227 1
1 482 . 1 1 1 A 42 42 GLN CA C 42 56.859 57.414 -0.555 1
1 483 . 1 1 1 A 42 42 GLN CB C 42 28.418 27.697 0.721 1
1 485 . 1 1 1 A 42 42 GLN N N 42 114.515 117.296 -2.781 1
1 487 . 1 1 1 A 43 43 TYR H H 43 6.692 7.729 -1.037 1
1 488 . 1 1 1 A 43 43 TYR HA H 43 4.866 4.741 0.125 1
1 495 . 1 1 1 A 43 43 TYR C C 43 177.063 175.631 1.432 1
1 496 . 1 1 1 A 43 43 TYR CA C 43 58.627 58.360 0.267 1
1 497 . 1 1 1 A 43 43 TYR CB C 43 39.628 39.553 0.075 1
1 502 . 1 1 1 A 43 43 TYR N N 43 116.167 120.581 -4.414 1
1 503 . 1 1 1 A 44 44 THR H H 44 8.785 8.725 0.060 1
1 504 . 1 1 1 A 44 44 THR HA H 44 4.800 5.237 -0.437 1
1 509 . 1 1 1 A 44 44 THR C C 44 176.061 175.572 0.489 1
1 510 . 1 1 1 A 44 44 THR CA C 44 60.519 59.654 0.865 1
1 511 . 1 1 1 A 44 44 THR CB C 44 71.926 72.304 -0.378 1
1 513 . 1 1 1 A 44 44 THR N N 44 116.779 111.016 5.763 1
1 514 . 1 1 1 A 45 45 THR H H 45 8.849 8.737 0.112 1
1 515 . 1 1 1 A 45 45 THR HA H 45 3.626 3.996 -0.370 1
1 520 . 1 1 1 A 45 45 THR C C 45 176.458 176.304 0.154 1
1 521 . 1 1 1 A 45 45 THR CA C 45 65.716 65.980 -0.264 1
1 522 . 1 1 1 A 45 45 THR CB C 45 67.141 68.002 -0.861 1
1 524 . 1 1 1 A 45 45 THR N N 45 112.579 115.969 -3.390 1
1 525 . 1 1 1 A 46 46 ILE H H 46 7.144 7.961 -0.817 1
1 526 . 1 1 1 A 46 46 ILE HA H 46 3.803 3.629 0.174 1
1 536 . 1 1 1 A 46 46 ILE C C 46 177.573 177.808 -0.235 1
1 537 . 1 1 1 A 46 46 ILE CA C 46 64.078 65.350 -1.272 1
1 538 . 1 1 1 A 46 46 ILE CB C 46 38.733 37.585 1.148 1
1 542 . 1 1 1 A 46 46 ILE N N 46 119.409 123.169 -3.760 1
1 543 . 1 1 1 A 47 47 GLN H H 47 7.552 8.012 -0.460 1
1 544 . 1 1 1 A 47 47 GLN HA H 47 4.124 4.113 0.011 1
1 551 . 1 1 1 A 47 47 GLN C C 47 179.640 178.877 0.763 1
1 552 . 1 1 1 A 47 47 GLN CA C 47 59.282 58.936 0.346 1
1 553 . 1 1 1 A 47 47 GLN CB C 47 29.242 28.468 0.774 1
1 555 . 1 1 1 A 47 47 GLN N N 47 119.564 118.598 0.966 1
1 557 . 1 1 1 A 48 48 ILE H H 48 8.520 7.971 0.549 1
1 558 . 1 1 1 A 48 48 ILE HA H 48 3.861 3.753 0.108 1
1 568 . 1 1 1 A 48 48 ILE C C 48 177.779 178.042 -0.263 1
1 569 . 1 1 1 A 48 48 ILE CA C 48 61.208 64.366 -3.158 1
1 570 . 1 1 1 A 48 48 ILE CB C 48 34.654 36.785 -2.131 1
1 574 . 1 1 1 A 48 48 ILE N N 48 118.052 121.432 -3.380 1
1 575 . 1 1 1 A 49 49 ALA H H 49 8.826 8.481 0.345 1
1 576 . 1 1 1 A 49 49 ALA HA H 49 4.071 4.134 -0.063 1
1 580 . 1 1 1 A 49 49 ALA C C 49 179.849 180.272 -0.423 1
1 581 . 1 1 1 A 49 49 ALA CA C 49 55.909 55.863 0.046 1
1 582 . 1 1 1 A 49 49 ALA CB C 49 18.289 18.344 -0.055 1
1 583 . 1 1 1 A 49 49 ALA N N 49 123.182 122.568 0.614 1
1 584 . 1 1 1 A 50 50 ASN H H 50 8.319 8.275 0.044 1
1 585 . 1 1 1 A 50 50 ASN HA H 50 4.517 4.481 0.036 1
1 590 . 1 1 1 A 50 50 ASN CA C 50 56.309 56.654 -0.345 1
1 591 . 1 1 1 A 50 50 ASN CB C 50 38.198 38.102 0.096 1
1 592 . 1 1 1 A 50 50 ASN N N 50 116.379 117.282 -0.903 1
1 594 . 1 1 1 A 51 51 MET H H 51 8.233 7.847 0.386 1
1 595 . 1 1 1 A 51 51 MET HA H 51 4.132 4.163 -0.031 1
1 603 . 1 1 1 A 51 51 MET CA C 51 59.312 58.554 0.758 1
1 604 . 1 1 1 A 51 51 MET CB C 51 34.763 32.388 2.375 1
1 607 . 1 1 1 A 51 51 MET N N 51 119.934 119.222 0.712 1
1 608 . 1 1 1 A 52 52 MET H H 52 8.926 8.231 0.695 1
1 609 . 1 1 1 A 52 52 MET HA H 52 3.874 4.334 -0.460 1
1 617 . 1 1 1 A 52 52 MET C C 52 177.228 179.023 -1.795 1
1 618 . 1 1 1 A 52 52 MET CA C 52 60.218 58.352 1.866 1
1 619 . 1 1 1 A 52 52 MET CB C 52 33.427 33.200 0.227 1
1 622 . 1 1 1 A 52 52 MET N N 52 120.686 118.680 2.006 1
1 623 . 1 1 1 A 53 53 GLU H H 53 8.111 8.336 -0.225 1
1 624 . 1 1 1 A 53 53 GLU HA H 53 3.863 4.043 -0.180 1
1 629 . 1 1 1 A 53 53 GLU C C 53 177.640 178.372 -0.732 1
1 630 . 1 1 1 A 53 53 GLU CA C 53 59.847 59.724 0.123 1
1 631 . 1 1 1 A 53 53 GLU CB C 53 29.778 29.240 0.538 1
1 633 . 1 1 1 A 53 53 GLU N N 53 119.207 118.717 0.490 1
1 634 . 1 1 1 A 54 54 GLU H H 54 7.030 7.868 -0.838 1
1 635 . 1 1 1 A 54 54 GLU HA H 54 4.014 4.063 -0.049 1
1 640 . 1 1 1 A 54 54 GLU C C 54 178.008 178.598 -0.590 1
1 641 . 1 1 1 A 54 54 GLU CA C 54 58.211 59.387 -1.176 1
1 642 . 1 1 1 A 54 54 GLU CB C 54 30.149 29.201 0.948 1
1 644 . 1 1 1 A 54 54 GLU N N 54 115.049 118.609 -3.560 1
1 645 . 1 1 1 A 55 55 LYS H H 55 7.670 7.802 -0.132 1
1 646 . 1 1 1 A 55 55 LYS HA H 55 3.930 3.851 0.079 1
1 655 . 1 1 1 A 55 55 LYS C C 55 175.986 176.440 -0.454 1
1 656 . 1 1 1 A 55 55 LYS CA C 55 56.405 58.609 -2.204 1
1 657 . 1 1 1 A 55 55 LYS CB C 55 32.705 32.039 0.666 1
1 661 . 1 1 1 A 55 55 LYS N N 55 117.040 119.994 -2.954 1
1 662 . 1 1 1 A 56 56 PHE H H 56 8.079 8.260 -0.181 1
1 663 . 1 1 1 A 56 56 PHE HA H 56 5.215 5.014 0.201 1
1 671 . 1 1 1 A 56 56 PHE CA C 56 53.965 55.035 -1.070 1
1 672 . 1 1 1 A 56 56 PHE CB C 56 38.759 38.934 -0.175 1
1 678 . 1 1 1 A 56 56 PHE N N 56 117.341 116.281 1.060 1
1 679 . 1 1 1 A 57 57 PRO HA H 57 4.514 4.682 -0.168 1
1 686 . 1 1 1 A 57 57 PRO CA C 57 64.818 64.326 0.492 1
1 687 . 1 1 1 A 57 57 PRO CB C 57 32.192 31.956 0.236 1
1 690 . 1 1 1 A 58 58 ALA H H 58 8.619 8.309 0.310 1
1 691 . 1 1 1 A 58 58 ALA HA H 58 4.206 4.088 0.118 1
1 695 . 1 1 1 A 58 58 ALA CA C 58 55.406 55.317 0.089 1
1 696 . 1 1 1 A 58 58 ALA CB C 58 18.353 18.601 -0.248 1
1 697 . 1 1 1 A 58 58 ALA N N 58 120.173 120.483 -0.310 1
1 698 . 1 1 1 A 59 59 ASP H H 59 7.515 7.873 -0.358 1
1 699 . 1 1 1 A 59 59 ASP HA H 59 4.810 4.783 0.027 1
1 702 . 1 1 1 A 59 59 ASP CA C 59 52.659 53.532 -0.873 1
1 703 . 1 1 1 A 59 59 ASP CB C 59 41.778 42.467 -0.689 1
1 704 . 1 1 1 A 59 59 ASP N N 59 113.536 115.199 -1.663 1
1 705 . 1 1 1 A 60 60 SER H H 60 8.392 8.510 -0.118 1
1 706 . 1 1 1 A 60 60 SER HA H 60 4.176 4.638 -0.462 1
1 709 . 1 1 1 A 60 60 SER CA C 60 60.221 59.574 0.647 1
1 710 . 1 1 1 A 60 60 SER CB C 60 62.050 61.712 0.338 1
1 711 . 1 1 1 A 60 60 SER N N 60 113.717 112.870 0.847 1
1 712 . 1 1 1 A 61 61 GLY H H 61 8.299 8.467 -0.168 1
1 713 . 1 1 1 A 61 61 GLY HA2 H 61 4.005 4.013 -0.008 1
1 714 . 1 1 1 A 61 61 GLY HA3 H 61 3.502 4.105 -0.603 1
1 715 . 1 1 1 A 61 61 GLY CA C 61 45.554 45.209 0.345 1
1 716 . 1 1 1 A 61 61 GLY N N 61 104.225 106.584 -2.359 1
1 717 . 1 1 1 A 62 62 LEU H H 62 7.927 7.579 0.348 1
1 718 . 1 1 1 A 62 62 LEU HA H 62 3.915 3.986 -0.071 1
1 728 . 1 1 1 A 62 62 LEU CA C 62 58.075 57.869 0.206 1
1 729 . 1 1 1 A 62 62 LEU CB C 62 41.731 42.056 -0.325 1
1 733 . 1 1 1 A 62 62 LEU N N 62 122.094 122.774 -0.680 1
1 734 . 1 1 1 A 63 63 GLY H H 63 8.566 8.164 0.402 1
1 735 . 1 1 1 A 63 63 GLY HA2 H 63 3.847 3.715 0.132 1
1 736 . 1 1 1 A 63 63 GLY HA3 H 63 3.592 3.719 -0.127 1
1 737 . 1 1 1 A 63 63 GLY CA C 63 47.146 47.163 -0.017 1
1 738 . 1 1 1 A 63 63 GLY N N 63 105.732 106.317 -0.585 1
1 739 . 1 1 1 A 64 64 LYS H H 64 7.509 8.151 -0.642 1
1 740 . 1 1 1 A 64 64 LYS HA H 64 4.115 3.990 0.125 1
1 749 . 1 1 1 A 64 64 LYS C C 64 179.856 178.883 0.973 1
1 750 . 1 1 1 A 64 64 LYS CA C 64 57.768 59.247 -1.479 1
1 751 . 1 1 1 A 64 64 LYS CB C 64 31.542 31.950 -0.408 1
1 755 . 1 1 1 A 64 64 LYS N N 64 120.697 121.965 -1.268 1
1 756 . 1 1 1 A 65 65 LEU H H 65 7.544 8.118 -0.574 1
1 757 . 1 1 1 A 65 65 LEU HA H 65 4.219 3.668 0.551 1
1 767 . 1 1 1 A 65 65 LEU C C 65 178.606 178.360 0.246 1
1 768 . 1 1 1 A 65 65 LEU CA C 65 57.675 57.773 -0.098 1
1 769 . 1 1 1 A 65 65 LEU CB C 65 41.040 41.509 -0.469 1
1 773 . 1 1 1 A 65 65 LEU N N 65 120.399 120.585 -0.186 1
1 774 . 1 1 1 A 66 66 ILE H H 66 8.605 8.197 0.408 1
1 775 . 1 1 1 A 66 66 ILE HA H 66 3.271 3.615 -0.344 1
1 785 . 1 1 1 A 66 66 ILE C C 66 176.721 178.084 -1.363 1
1 786 . 1 1 1 A 66 66 ILE CA C 66 67.612 65.399 2.213 1
1 787 . 1 1 1 A 66 66 ILE CB C 66 38.006 37.649 0.357 1
1 791 . 1 1 1 A 66 66 ILE N N 66 121.170 120.292 0.878 1
1 792 . 1 1 1 A 67 67 GLU H H 67 8.157 7.840 0.317 1
1 793 . 1 1 1 A 67 67 GLU HA H 67 4.007 3.930 0.077 1
1 798 . 1 1 1 A 67 67 GLU C C 67 178.848 179.297 -0.449 1
1 799 . 1 1 1 A 67 67 GLU CA C 67 59.476 59.823 -0.347 1
1 800 . 1 1 1 A 67 67 GLU CB C 67 30.055 29.491 0.564 1
1 802 . 1 1 1 A 67 67 GLU N N 67 118.066 118.908 -0.842 1
1 803 . 1 1 1 A 68 68 PHE H H 68 7.673 8.157 -0.484 1
1 804 . 1 1 1 A 68 68 PHE HA H 68 4.393 4.436 -0.043 1
1 812 . 1 1 1 A 68 68 PHE C C 68 176.609 177.449 -0.840 1
1 813 . 1 1 1 A 68 68 PHE CA C 68 60.660 61.574 -0.914 1
1 814 . 1 1 1 A 68 68 PHE CB C 68 39.666 39.522 0.144 1
1 820 . 1 1 1 A 68 68 PHE N N 68 119.383 121.042 -1.659 1
1 821 . 1 1 1 A 69 69 CYS H H 69 8.137 7.918 0.219 1
1 822 . 1 1 1 A 69 69 CYS HA H 69 3.714 3.918 -0.204 1
1 825 . 1 1 1 A 69 69 CYS C C 69 175.221 177.018 -1.797 1
1 826 . 1 1 1 A 69 69 CYS CA C 69 62.782 63.109 -0.327 1
1 827 . 1 1 1 A 69 69 CYS CB C 69 26.732 27.119 -0.387 1
1 828 . 1 1 1 A 69 69 CYS N N 69 115.218 116.930 -1.712 1
1 829 . 1 1 1 A 70 70 GLU H H 70 8.108 7.918 0.190 1
1 830 . 1 1 1 A 70 70 GLU HA H 70 3.739 3.919 -0.180 1
1 835 . 1 1 1 A 70 70 GLU C C 70 178.404 178.624 -0.220 1
1 836 . 1 1 1 A 70 70 GLU CA C 70 58.839 59.460 -0.621 1
1 837 . 1 1 1 A 70 70 GLU CB C 70 30.149 29.165 0.984 1
1 839 . 1 1 1 A 70 70 GLU N N 70 113.937 119.888 -5.951 1
1 840 . 1 1 1 A 71 71 GLU H H 71 7.306 8.357 -1.051 1
1 841 . 1 1 1 A 71 71 GLU HA H 71 4.148 4.108 0.040 1
1 846 . 1 1 1 A 71 71 GLU C C 71 176.363 176.797 -0.434 1
1 847 . 1 1 1 A 71 71 GLU CA C 71 56.943 59.152 -2.209 1
1 848 . 1 1 1 A 71 71 GLU CB C 71 30.374 29.166 1.208 1
1 850 . 1 1 1 A 71 71 GLU N N 71 117.591 117.982 -0.391 1
1 851 . 1 1 1 A 72 72 VAL H H 72 7.055 7.479 -0.424 1
1 852 . 1 1 1 A 72 72 VAL HA H 72 4.220 4.059 0.161 1
1 860 . 1 1 1 A 72 72 VAL C C 72 174.906 175.724 -0.818 1
1 861 . 1 1 1 A 72 72 VAL CA C 72 59.360 59.991 -0.631 1
1 862 . 1 1 1 A 72 72 VAL CB C 72 33.462 31.717 1.745 1
1 865 . 1 1 1 A 72 72 VAL N N 72 122.531 121.495 1.036 1
1 866 . 1 1 1 A 73 73 PRO HA H 73 3.887 4.424 -0.537 1
1 873 . 1 1 1 A 73 73 PRO C C 73 179.162 177.451 1.711 1
1 874 . 1 1 1 A 73 73 PRO CA C 73 66.658 64.764 1.894 1
1 875 . 1 1 1 A 73 73 PRO CB C 73 31.819 31.960 -0.141 1
1 878 . 1 1 1 A 74 74 ALA H H 74 8.188 8.157 0.031 1
1 879 . 1 1 1 A 74 74 ALA HA H 74 4.217 4.241 -0.024 1
1 883 . 1 1 1 A 74 74 ALA C C 74 178.535 177.969 0.566 1
1 884 . 1 1 1 A 74 74 ALA CA C 74 54.149 53.539 0.610 1
1 885 . 1 1 1 A 74 74 ALA CB C 74 19.305 18.759 0.546 1
1 886 . 1 1 1 A 74 74 ALA N N 74 116.317 119.672 -3.355 1
1 887 . 1 1 1 A 75 75 LEU H H 75 8.188 7.246 0.942 1
1 888 . 1 1 1 A 75 75 LEU HA H 75 4.607 4.270 0.337 1
1 898 . 1 1 1 A 75 75 LEU C C 75 177.094 177.847 -0.753 1
1 899 . 1 1 1 A 75 75 LEU CA C 75 53.645 54.457 -0.812 1
1 900 . 1 1 1 A 75 75 LEU CB C 75 42.633 42.605 0.028 1
1 904 . 1 1 1 A 75 75 LEU N N 75 116.296 115.912 0.384 1
1 905 . 1 1 1 A 76 76 ARG H H 76 7.332 7.951 -0.619 1
1 906 . 1 1 1 A 76 76 ARG HA H 76 3.789 3.814 -0.025 1
1 913 . 1 1 1 A 76 76 ARG C C 76 179.457 178.862 0.595 1
1 914 . 1 1 1 A 76 76 ARG CA C 76 60.815 60.101 0.714 1
1 915 . 1 1 1 A 76 76 ARG CB C 76 29.535 29.912 -0.377 1
1 918 . 1 1 1 A 76 76 ARG N N 76 122.654 119.771 2.883 1
1 919 . 1 1 1 A 77 77 LYS H H 77 8.489 8.029 0.460 1
1 920 . 1 1 1 A 77 77 LYS HA H 77 4.118 3.996 0.122 1
1 929 . 1 1 1 A 77 77 LYS C C 77 179.135 178.566 0.569 1
1 930 . 1 1 1 A 77 77 LYS CA C 77 58.963 59.288 -0.325 1
1 931 . 1 1 1 A 77 77 LYS CB C 77 31.113 32.037 -0.924 1
1 935 . 1 1 1 A 77 77 LYS N N 77 119.343 119.739 -0.396 1
1 936 . 1 1 1 A 78 78 ARG H H 78 7.626 8.038 -0.412 1
1 937 . 1 1 1 A 78 78 ARG HA H 78 3.931 3.999 -0.068 1
1 944 . 1 1 1 A 78 78 ARG C C 78 178.200 178.912 -0.712 1
1 945 . 1 1 1 A 78 78 ARG CA C 78 56.415 58.899 -2.484 1
1 946 . 1 1 1 A 78 78 ARG CB C 78 27.010 30.481 -3.471 1
1 949 . 1 1 1 A 78 78 ARG N N 78 120.202 119.559 0.643 1
1 950 . 1 1 1 A 79 79 ALA H H 79 8.138 8.536 -0.398 1
1 951 . 1 1 1 A 79 79 ALA HA H 79 3.837 4.053 -0.216 1
1 955 . 1 1 1 A 79 79 ALA C C 79 178.684 179.713 -1.029 1
1 956 . 1 1 1 A 79 79 ALA CA C 79 55.692 54.963 0.729 1
1 957 . 1 1 1 A 79 79 ALA CB C 79 18.376 18.532 -0.156 1
1 958 . 1 1 1 A 79 79 ALA N N 79 120.388 122.117 -1.729 1
1 959 . 1 1 1 A 80 80 GLU H H 80 7.437 7.895 -0.458 1
1 960 . 1 1 1 A 80 80 GLU HA H 80 3.877 4.073 -0.196 1
1 965 . 1 1 1 A 80 80 GLU C C 80 179.640 178.700 0.940 1
1 966 . 1 1 1 A 80 80 GLU CA C 80 59.370 59.040 0.330 1
1 967 . 1 1 1 A 80 80 GLU CB C 80 29.445 28.900 0.545 1
1 969 . 1 1 1 A 80 80 GLU N N 80 115.384 116.265 -0.881 1
1 970 . 1 1 1 A 81 81 ILE H H 81 7.721 7.705 0.016 1
1 971 . 1 1 1 A 81 81 ILE HA H 81 3.675 3.676 -0.001 1
1 981 . 1 1 1 A 81 81 ILE C C 81 178.179 178.794 -0.615 1
1 982 . 1 1 1 A 81 81 ILE CA C 81 65.187 64.860 0.327 1
1 983 . 1 1 1 A 81 81 ILE CB C 81 38.471 37.629 0.842 1
1 987 . 1 1 1 A 81 81 ILE N N 81 121.563 121.425 0.138 1
1 988 . 1 1 1 A 82 82 LEU H H 82 8.374 8.385 -0.011 1
1 989 . 1 1 1 A 82 82 LEU HA H 82 3.930 3.921 0.009 1
1 999 . 1 1 1 A 82 82 LEU C C 82 179.279 178.700 0.579 1
1 1000 . 1 1 1 A 82 82 LEU CA C 82 58.038 58.083 -0.045 1
1 1001 . 1 1 1 A 82 82 LEU CB C 82 42.869 41.330 1.539 1
1 1005 . 1 1 1 A 82 82 LEU N N 82 119.839 120.578 -0.739 1
1 1006 . 1 1 1 A 83 83 LYS H H 83 8.153 8.220 -0.067 1
1 1007 . 1 1 1 A 83 83 LYS HA H 83 3.740 3.876 -0.136 1
1 1016 . 1 1 1 A 83 83 LYS C C 83 179.548 178.866 0.682 1
1 1017 . 1 1 1 A 83 83 LYS CA C 83 60.433 60.441 -0.008 1
1 1018 . 1 1 1 A 83 83 LYS CB C 83 32.703 32.080 0.623 1
1 1022 . 1 1 1 A 83 83 LYS N N 83 117.092 116.885 0.207 1
1 1023 . 1 1 1 A 84 84 LYS H H 84 7.705 7.586 0.119 1
1 1024 . 1 1 1 A 84 84 LYS HA H 84 4.101 3.968 0.133 1
1 1033 . 1 1 1 A 84 84 LYS C C 84 179.082 178.729 0.353 1
1 1034 . 1 1 1 A 84 84 LYS CA C 84 59.120 59.757 -0.637 1
1 1035 . 1 1 1 A 84 84 LYS CB C 84 32.291 32.189 0.102 1
1 1039 . 1 1 1 A 84 84 LYS N N 84 121.473 119.560 1.913 1
1 1040 . 1 1 1 A 85 85 GLU H H 85 8.567 8.028 0.539 1
1 1041 . 1 1 1 A 85 85 GLU HA H 85 4.013 4.132 -0.119 1
1 1046 . 1 1 1 A 85 85 GLU CA C 85 59.360 59.052 0.308 1
1 1047 . 1 1 1 A 85 85 GLU CB C 85 30.033 29.312 0.721 1
1 1049 . 1 1 1 A 85 85 GLU N N 85 119.645 118.700 0.945 1
1 1050 . 1 1 1 A 86 86 ARG H H 86 8.467 7.961 0.506 1
1 1051 . 1 1 1 A 86 86 ARG HA H 86 4.030 4.116 -0.086 1
1 1058 . 1 1 1 A 86 86 ARG C C 86 177.790 176.873 0.917 1
1 1059 . 1 1 1 A 86 86 ARG CA C 86 58.556 59.132 -0.576 1
1 1060 . 1 1 1 A 86 86 ARG CB C 86 30.377 30.132 0.245 1
1 1063 . 1 1 1 A 86 86 ARG N N 86 119.408 121.268 -1.860 1
1 1064 . 1 1 1 A 87 87 SER H H 87 7.851 7.818 0.033 1
1 1065 . 1 1 1 A 87 87 SER HA H 87 4.369 4.355 0.014 1
1 1068 . 1 1 1 A 87 87 SER C C 87 175.282 173.818 1.464 1
1 1069 . 1 1 1 A 87 87 SER CA C 87 60.271 59.905 0.366 1
1 1070 . 1 1 1 A 87 87 SER CB C 87 63.601 63.776 -0.175 1
1 1071 . 1 1 1 A 87 87 SER N N 87 115.071 114.506 0.565 1
1 1072 . 1 1 1 A 88 88 GLU H H 88 7.891 9.201 -1.310 1
1 1073 . 1 1 1 A 88 88 GLU HA H 88 4.316 4.576 -0.260 1
1 1078 . 1 1 1 A 88 88 GLU C C 88 176.801 177.498 -0.697 1
1 1079 . 1 1 1 A 88 88 GLU CA C 88 57.036 57.377 -0.341 1
1 1080 . 1 1 1 A 88 88 GLU CB C 88 30.024 32.328 -2.304 1
1 1082 . 1 1 1 A 88 88 GLU N N 88 121.067 123.860 -2.793 1
1 1083 . 1 1 1 A 89 89 SER H H 89 7.934 7.899 0.035 1
1 1084 . 1 1 1 A 89 89 SER HA H 89 4.503 4.622 -0.119 1
1 1087 . 1 1 1 A 89 89 SER C C 89 174.624 174.477 0.147 1
1 1088 . 1 1 1 A 89 89 SER CA C 89 58.875 58.043 0.832 1
1 1089 . 1 1 1 A 89 89 SER CB C 89 64.040 63.420 0.620 1
1 1090 . 1 1 1 A 89 89 SER N N 89 115.241 111.131 4.110 1
1 1091 . 1 1 1 A 90 90 GLY H H 90 8.062 8.132 -0.070 1
1 1092 . 1 1 1 A 90 90 GLY HA2 H 90 4.210 4.144 0.066 1
1 1093 . 1 1 1 A 90 90 GLY HA3 H 90 4.083 4.145 -0.062 1
1 1094 . 1 1 1 A 90 90 GLY C C 90 171.774 173.478 -1.704 1
1 1095 . 1 1 1 A 90 90 GLY CA C 90 44.872 44.907 -0.035 1
1 1096 . 1 1 1 A 90 90 GLY N N 90 110.384 108.689 1.695 1
1 1097 . 1 1 1 A 91 91 PRO HA H 91 4.495 4.594 -0.099 1
1 1104 . 1 1 1 A 91 91 PRO C C 91 177.475 175.880 1.595 1
1 1105 . 1 1 1 A 91 91 PRO CA C 91 63.295 62.620 0.675 1
1 1106 . 1 1 1 A 91 91 PRO CB C 91 32.234 33.073 -0.839 1
1 1109 . 1 1 1 A 92 92 SER H H 92 8.557 8.555 0.002 1
1 1110 . 1 1 1 A 92 92 SER HA H 92 4.575 4.622 -0.047 1
1 1113 . 1 1 1 A 92 92 SER C C 92 174.736 173.122 1.614 1
1 1114 . 1 1 1 A 92 92 SER CA C 92 58.380 57.347 1.033 1
1 1115 . 1 1 1 A 92 92 SER CB C 92 64.221 62.345 1.876 1
1 1 . 2 1 1 A 6 6 SER H H 6 8.063 8.952 -0.889 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.493 4.199 0.294 1
1 5 . 2 1 1 A 6 6 SER CA C 6 59.071 59.058 0.013 1
1 6 . 2 1 1 A 6 6 SER CB C 6 63.626 61.148 2.478 1
1 7 . 2 1 1 A 7 7 GLY H H 7 8.424 8.138 0.286 1
1 8 . 2 1 1 A 7 7 GLY HA2 H 7 3.985 3.884 0.101 1
1 9 . 2 1 1 A 7 7 GLY HA3 H 7 3.834 3.885 -0.051 1
1 10 . 2 1 1 A 7 7 GLY CA C 7 47.092 46.480 0.612 1
1 11 . 2 1 1 A 7 7 GLY N N 7 109.548 109.038 0.510 1
1 12 . 2 1 1 A 8 8 ILE H H 8 7.565 7.398 0.167 1
1 13 . 2 1 1 A 8 8 ILE HA H 8 3.883 4.820 -0.937 1
1 23 . 2 1 1 A 8 8 ILE CA C 8 63.805 60.158 3.647 1
1 24 . 2 1 1 A 8 8 ILE CB C 8 37.866 39.684 -1.818 1
1 28 . 2 1 1 A 8 8 ILE N N 8 123.348 120.683 2.665 1
1 29 . 2 1 1 A 9 9 VAL H H 9 7.538 8.458 -0.920 1
1 30 . 2 1 1 A 9 9 VAL HA H 9 3.471 4.848 -1.377 1
1 38 . 2 1 1 A 9 9 VAL CA C 9 66.382 59.859 6.523 1
1 39 . 2 1 1 A 9 9 VAL CB C 9 31.755 35.548 -3.793 1
1 42 . 2 1 1 A 9 9 VAL N N 9 121.471 123.868 -2.397 1
1 43 . 2 1 1 A 10 10 LEU H H 10 7.941 9.039 -1.098 1
1 44 . 2 1 1 A 10 10 LEU HA H 10 3.848 3.920 -0.072 1
1 54 . 2 1 1 A 10 10 LEU CA C 10 58.619 57.862 0.757 1
1 55 . 2 1 1 A 10 10 LEU CB C 10 41.377 41.487 -0.110 1
1 59 . 2 1 1 A 10 10 LEU N N 10 119.521 128.915 -9.394 1
1 60 . 2 1 1 A 11 11 LEU H H 11 8.207 8.086 0.121 1
1 61 . 2 1 1 A 11 11 LEU HA H 11 3.792 4.118 -0.326 1
1 71 . 2 1 1 A 11 11 LEU CA C 11 58.241 57.921 0.320 1
1 72 . 2 1 1 A 11 11 LEU CB C 11 41.790 41.806 -0.016 1
1 76 . 2 1 1 A 11 11 LEU N N 11 119.938 120.074 -0.136 1
1 77 . 2 1 1 A 12 12 ARG H H 12 7.904 8.576 -0.672 1
1 78 . 2 1 1 A 12 12 ARG HA H 12 3.966 3.906 0.060 1
1 85 . 2 1 1 A 12 12 ARG CA C 12 59.301 59.857 -0.556 1
1 86 . 2 1 1 A 12 12 ARG CB C 12 30.132 30.255 -0.123 1
1 89 . 2 1 1 A 12 12 ARG N N 12 116.799 119.490 -2.691 1
1 90 . 2 1 1 A 13 13 GLY H H 13 8.190 8.019 0.171 1
1 91 . 2 1 1 A 13 13 GLY HA2 H 13 3.740 3.761 -0.021 1
1 92 . 2 1 1 A 13 13 GLY HA3 H 13 3.437 3.769 -0.332 1
1 93 . 2 1 1 A 13 13 GLY CA C 13 47.988 47.047 0.941 1
1 94 . 2 1 1 A 13 13 GLY N N 13 107.618 106.621 0.997 1
1 95 . 2 1 1 A 14 14 LEU H H 14 8.515 8.340 0.175 1
1 96 . 2 1 1 A 14 14 LEU HA H 14 3.785 3.963 -0.178 1
1 106 . 2 1 1 A 14 14 LEU C C 14 178.232 179.262 -1.030 1
1 107 . 2 1 1 A 14 14 LEU CA C 14 57.401 57.881 -0.480 1
1 108 . 2 1 1 A 14 14 LEU CB C 14 41.981 41.429 0.552 1
1 112 . 2 1 1 A 14 14 LEU N N 14 120.161 122.816 -2.655 1
1 113 . 2 1 1 A 15 15 GLU H H 15 7.931 8.126 -0.195 1
1 114 . 2 1 1 A 15 15 GLU HA H 15 4.030 3.923 0.107 1
1 119 . 2 1 1 A 15 15 GLU CA C 15 57.961 59.384 -1.423 1
1 120 . 2 1 1 A 15 15 GLU CB C 15 30.140 28.493 1.647 1
1 122 . 2 1 1 A 15 15 GLU N N 15 114.703 117.186 -2.483 1
1 123 . 2 1 1 A 16 16 CYS H H 16 7.612 8.269 -0.657 1
1 124 . 2 1 1 A 16 16 CYS HA H 16 4.457 4.115 0.342 1
1 127 . 2 1 1 A 16 16 CYS CA C 16 60.982 63.071 -2.089 1
1 128 . 2 1 1 A 16 16 CYS CB C 16 27.917 27.175 0.742 1
1 129 . 2 1 1 A 16 16 CYS N N 16 114.695 119.352 -4.657 1
1 130 . 2 1 1 A 17 17 ILE H H 17 7.142 7.117 0.025 1
1 131 . 2 1 1 A 17 17 ILE HA H 17 4.533 4.345 0.188 1
1 141 . 2 1 1 A 17 17 ILE CA C 17 61.521 60.951 0.570 1
1 142 . 2 1 1 A 17 17 ILE CB C 17 39.206 39.080 0.126 1
1 146 . 2 1 1 A 17 17 ILE N N 17 115.031 117.674 -2.643 1
1 147 . 2 1 1 A 18 18 ASN H H 18 8.325 8.740 -0.415 1
1 148 . 2 1 1 A 18 18 ASN HA H 18 4.575 4.780 -0.205 1
1 153 . 2 1 1 A 18 18 ASN C C 18 175.171 176.836 -1.665 1
1 154 . 2 1 1 A 18 18 ASN CA C 18 53.278 53.290 -0.012 1
1 155 . 2 1 1 A 18 18 ASN CB C 18 38.419 40.219 -1.800 1
1 156 . 2 1 1 A 18 18 ASN N N 18 119.943 123.795 -3.852 1
1 158 . 2 1 1 A 19 19 LYS H H 19 8.514 8.938 -0.424 1
1 159 . 2 1 1 A 19 19 LYS HA H 19 4.242 4.106 0.136 1
1 168 . 2 1 1 A 19 19 LYS C C 19 178.868 179.065 -0.197 1
1 169 . 2 1 1 A 19 19 LYS CA C 19 60.006 59.808 0.198 1
1 170 . 2 1 1 A 19 19 LYS CB C 19 32.291 32.185 0.106 1
1 174 . 2 1 1 A 19 19 LYS N N 19 118.191 125.274 -7.083 1
1 175 . 2 1 1 A 20 20 HIS H H 20 8.328 8.339 -0.011 1
1 176 . 2 1 1 A 20 20 HIS HA H 20 4.371 4.339 0.032 1
1 181 . 2 1 1 A 20 20 HIS C C 20 178.335 176.641 1.694 1
1 182 . 2 1 1 A 20 20 HIS CA C 20 59.785 59.134 0.651 1
1 183 . 2 1 1 A 20 20 HIS CB C 20 29.879 29.846 0.033 1
1 186 . 2 1 1 A 20 20 HIS N N 20 120.900 119.530 1.370 1
1 187 . 2 1 1 A 21 21 TYR H H 21 8.464 8.260 0.204 1
1 188 . 2 1 1 A 21 21 TYR HA H 21 4.540 4.427 0.113 1
1 195 . 2 1 1 A 21 21 TYR C C 21 178.222 178.651 -0.429 1
1 196 . 2 1 1 A 21 21 TYR CA C 21 61.863 61.760 0.103 1
1 197 . 2 1 1 A 21 21 TYR CB C 21 38.012 37.959 0.053 1
1 202 . 2 1 1 A 21 21 TYR N N 21 118.132 117.719 0.413 1
1 203 . 2 1 1 A 22 22 PHE H H 22 9.095 8.448 0.647 1
1 204 . 2 1 1 A 22 22 PHE HA H 22 4.616 4.203 0.413 1
1 212 . 2 1 1 A 22 22 PHE C C 22 177.409 177.251 0.158 1
1 213 . 2 1 1 A 22 22 PHE CA C 22 59.761 61.695 -1.934 1
1 214 . 2 1 1 A 22 22 PHE CB C 22 38.982 39.277 -0.295 1
1 220 . 2 1 1 A 22 22 PHE N N 22 121.771 120.939 0.832 1
1 221 . 2 1 1 A 23 23 SER H H 23 8.400 8.200 0.200 1
1 222 . 2 1 1 A 23 23 SER HA H 23 3.785 3.880 -0.095 1
1 225 . 2 1 1 A 23 23 SER C C 23 177.318 177.429 -0.111 1
1 226 . 2 1 1 A 23 23 SER CA C 23 62.453 61.702 0.751 1
1 227 . 2 1 1 A 23 23 SER CB C 23 62.279 62.937 -0.658 1
1 228 . 2 1 1 A 23 23 SER N N 23 115.511 113.809 1.702 1
1 229 . 2 1 1 A 24 24 LEU H H 24 7.737 8.045 -0.308 1
1 230 . 2 1 1 A 24 24 LEU HA H 24 4.118 3.967 0.151 1
1 240 . 2 1 1 A 24 24 LEU C C 24 178.956 178.943 0.013 1
1 241 . 2 1 1 A 24 24 LEU CA C 24 57.992 57.846 0.146 1
1 242 . 2 1 1 A 24 24 LEU CB C 24 42.066 42.449 -0.383 1
1 246 . 2 1 1 A 24 24 LEU N N 24 123.378 121.970 1.408 1
1 247 . 2 1 1 A 25 25 PHE H H 25 8.643 7.841 0.802 1
1 248 . 2 1 1 A 25 25 PHE HA H 25 3.475 3.351 0.124 1
1 256 . 2 1 1 A 25 25 PHE C C 25 176.905 176.909 -0.004 1
1 257 . 2 1 1 A 25 25 PHE CA C 25 61.196 61.337 -0.141 1
1 258 . 2 1 1 A 25 25 PHE CB C 25 38.741 38.572 0.169 1
1 264 . 2 1 1 A 25 25 PHE N N 25 122.640 118.279 4.361 1
1 265 . 2 1 1 A 26 26 LYS H H 26 8.022 7.899 0.123 1
1 266 . 2 1 1 A 26 26 LYS HA H 26 3.197 3.695 -0.498 1
1 275 . 2 1 1 A 26 26 LYS C C 26 177.424 178.564 -1.140 1
1 276 . 2 1 1 A 26 26 LYS CA C 26 61.439 59.495 1.944 1
1 277 . 2 1 1 A 26 26 LYS CB C 26 32.363 31.810 0.553 1
1 281 . 2 1 1 A 26 26 LYS N N 26 116.023 117.755 -1.732 1
1 282 . 2 1 1 A 27 27 SER H H 27 7.473 7.840 -0.367 1
1 283 . 2 1 1 A 27 27 SER HA H 27 4.134 4.236 -0.102 1
1 286 . 2 1 1 A 27 27 SER C C 27 177.449 177.030 0.419 1
1 287 . 2 1 1 A 27 27 SER CA C 27 61.544 61.052 0.492 1
1 288 . 2 1 1 A 27 27 SER CB C 27 62.828 62.727 0.101 1
1 289 . 2 1 1 A 27 27 SER N N 27 111.668 114.956 -3.288 1
1 290 . 2 1 1 A 28 28 LEU H H 28 7.625 7.584 0.041 1
1 291 . 2 1 1 A 28 28 LEU HA H 28 4.117 4.034 0.083 1
1 301 . 2 1 1 A 28 28 LEU C C 28 179.076 178.359 0.717 1
1 302 . 2 1 1 A 28 28 LEU CA C 28 57.336 57.243 0.093 1
1 303 . 2 1 1 A 28 28 LEU CB C 28 41.585 41.672 -0.087 1
1 307 . 2 1 1 A 28 28 LEU N N 28 123.121 121.674 1.447 1
1 308 . 2 1 1 A 29 29 LEU H H 29 7.391 7.370 0.021 1
1 309 . 2 1 1 A 29 29 LEU HA H 29 4.276 4.267 0.009 1
1 319 . 2 1 1 A 29 29 LEU C C 29 177.606 177.876 -0.270 1
1 320 . 2 1 1 A 29 29 LEU CA C 29 54.243 55.585 -1.342 1
1 321 . 2 1 1 A 29 29 LEU CB C 29 41.665 42.136 -0.471 1
1 325 . 2 1 1 A 29 29 LEU N N 29 119.910 118.205 1.705 1
1 326 . 2 1 1 A 30 30 ALA H H 30 7.242 8.034 -0.792 1
1 327 . 2 1 1 A 30 30 ALA HA H 30 3.505 3.881 -0.376 1
1 331 . 2 1 1 A 30 30 ALA C C 30 179.568 179.454 0.114 1
1 332 . 2 1 1 A 30 30 ALA CA C 30 56.470 55.426 1.044 1
1 333 . 2 1 1 A 30 30 ALA CB C 30 18.818 18.507 0.311 1
1 334 . 2 1 1 A 30 30 ALA N N 30 122.470 122.577 -0.107 1
1 335 . 2 1 1 A 31 31 ARG H H 31 8.256 7.802 0.454 1
1 336 . 2 1 1 A 31 31 ARG HA H 31 4.142 4.055 0.087 1
1 343 . 2 1 1 A 31 31 ARG C C 31 179.303 178.397 0.906 1
1 344 . 2 1 1 A 31 31 ARG CA C 31 58.917 59.054 -0.137 1
1 345 . 2 1 1 A 31 31 ARG CB C 31 29.407 30.007 -0.600 1
1 348 . 2 1 1 A 31 31 ARG N N 31 116.240 116.961 -0.721 1
1 349 . 2 1 1 A 32 32 ASP H H 32 8.205 8.124 0.081 1
1 350 . 2 1 1 A 32 32 ASP HA H 32 4.334 4.410 -0.076 1
1 353 . 2 1 1 A 32 32 ASP C C 32 177.470 178.368 -0.898 1
1 354 . 2 1 1 A 32 32 ASP CA C 32 57.336 57.091 0.245 1
1 355 . 2 1 1 A 32 32 ASP CB C 32 41.582 40.769 0.813 1
1 356 . 2 1 1 A 32 32 ASP N N 32 120.398 119.877 0.521 1
1 357 . 2 1 1 A 33 33 LEU H H 33 7.933 8.106 -0.173 1
1 358 . 2 1 1 A 33 33 LEU HA H 33 4.206 4.126 0.080 1
1 368 . 2 1 1 A 33 33 LEU C C 33 175.261 175.991 -0.730 1
1 369 . 2 1 1 A 33 33 LEU CA C 33 53.700 55.067 -1.367 1
1 370 . 2 1 1 A 33 33 LEU CB C 33 41.306 41.998 -0.692 1
1 374 . 2 1 1 A 33 33 LEU N N 33 113.338 118.102 -4.764 1
1 375 . 2 1 1 A 34 34 ASN H H 34 7.688 7.972 -0.284 1
1 376 . 2 1 1 A 34 34 ASN HA H 34 4.307 4.575 -0.268 1
1 381 . 2 1 1 A 34 34 ASN C C 34 175.092 174.673 0.419 1
1 382 . 2 1 1 A 34 34 ASN CA C 34 53.960 54.177 -0.217 1
1 383 . 2 1 1 A 34 34 ASN CB C 34 37.073 36.730 0.343 1
1 384 . 2 1 1 A 34 34 ASN N N 34 116.912 115.529 1.383 1
1 386 . 2 1 1 A 35 35 LEU H H 35 8.177 7.999 0.178 1
1 387 . 2 1 1 A 35 35 LEU HA H 35 4.008 4.371 -0.363 1
1 397 . 2 1 1 A 35 35 LEU C C 35 177.637 176.389 1.248 1
1 398 . 2 1 1 A 35 35 LEU CA C 35 54.233 54.738 -0.505 1
1 399 . 2 1 1 A 35 35 LEU CB C 35 41.024 42.439 -1.415 1
1 403 . 2 1 1 A 35 35 LEU N N 35 115.363 120.063 -4.700 1
1 404 . 2 1 1 A 36 36 GLU H H 36 8.419 9.151 -0.732 1
1 405 . 2 1 1 A 36 36 GLU HA H 36 4.175 4.589 -0.414 1
1 410 . 2 1 1 A 36 36 GLU C C 36 177.626 176.464 1.162 1
1 411 . 2 1 1 A 36 36 GLU CA C 36 56.872 55.291 1.581 1
1 412 . 2 1 1 A 36 36 GLU CB C 36 29.675 29.636 0.039 1
1 414 . 2 1 1 A 36 36 GLU N N 36 122.591 120.885 1.706 1
1 415 . 2 1 1 A 37 37 ARG H H 37 8.577 8.597 -0.020 1
1 416 . 2 1 1 A 37 37 ARG HA H 37 3.889 4.046 -0.157 1
1 423 . 2 1 1 A 37 37 ARG C C 37 178.119 177.577 0.542 1
1 424 . 2 1 1 A 37 37 ARG CA C 37 58.924 59.218 -0.294 1
1 425 . 2 1 1 A 37 37 ARG CB C 37 30.074 29.869 0.205 1
1 428 . 2 1 1 A 37 37 ARG N N 37 124.790 126.354 -1.564 1
1 429 . 2 1 1 A 38 38 ASP H H 38 8.623 8.119 0.504 1
1 430 . 2 1 1 A 38 38 ASP HA H 38 4.591 4.570 0.021 1
1 433 . 2 1 1 A 38 38 ASP C C 38 176.021 176.719 -0.698 1
1 434 . 2 1 1 A 38 38 ASP CA C 38 55.073 55.722 -0.649 1
1 435 . 2 1 1 A 38 38 ASP CB C 38 40.722 41.687 -0.965 1
1 436 . 2 1 1 A 38 38 ASP N N 38 116.313 117.187 -0.874 1
1 437 . 2 1 1 A 39 39 ASN H H 39 7.668 8.118 -0.450 1
1 438 . 2 1 1 A 39 39 ASN HA H 39 4.936 4.842 0.094 1
1 443 . 2 1 1 A 39 39 ASN C C 39 175.702 175.685 0.017 1
1 444 . 2 1 1 A 39 39 ASN CA C 39 52.626 51.613 1.013 1
1 445 . 2 1 1 A 39 39 ASN CB C 39 38.966 38.934 0.032 1
1 446 . 2 1 1 A 39 39 ASN N N 39 116.330 117.617 -1.287 1
1 448 . 2 1 1 A 40 40 GLN H H 40 8.324 7.878 0.446 1
1 449 . 2 1 1 A 40 40 GLN HA H 40 4.285 4.365 -0.080 1
1 456 . 2 1 1 A 40 40 GLN C C 40 178.897 178.157 0.740 1
1 457 . 2 1 1 A 40 40 GLN CA C 40 58.513 57.669 0.844 1
1 458 . 2 1 1 A 40 40 GLN CB C 40 29.225 28.613 0.612 1
1 460 . 2 1 1 A 40 40 GLN N N 40 119.556 122.677 -3.121 1
1 462 . 2 1 1 A 41 41 GLU H H 41 8.956 7.891 1.065 1
1 463 . 2 1 1 A 41 41 GLU HA H 41 3.950 4.046 -0.096 1
1 468 . 2 1 1 A 41 41 GLU C C 41 176.712 178.571 -1.859 1
1 469 . 2 1 1 A 41 41 GLU CA C 41 58.716 59.236 -0.520 1
1 470 . 2 1 1 A 41 41 GLU CB C 41 29.124 29.414 -0.290 1
1 472 . 2 1 1 A 41 41 GLU N N 41 121.919 120.337 1.582 1
1 473 . 2 1 1 A 42 42 GLN H H 42 7.634 8.083 -0.449 1
1 474 . 2 1 1 A 42 42 GLN HA H 42 4.052 4.126 -0.074 1
1 481 . 2 1 1 A 42 42 GLN C C 42 176.286 176.115 0.171 1
1 482 . 2 1 1 A 42 42 GLN CA C 42 56.859 57.945 -1.086 1
1 483 . 2 1 1 A 42 42 GLN CB C 42 28.418 27.984 0.434 1
1 485 . 2 1 1 A 42 42 GLN N N 42 114.515 116.862 -2.347 1
1 487 . 2 1 1 A 43 43 TYR H H 43 6.692 7.619 -0.927 1
1 488 . 2 1 1 A 43 43 TYR HA H 43 4.866 4.622 0.244 1
1 495 . 2 1 1 A 43 43 TYR C C 43 177.063 175.401 1.662 1
1 496 . 2 1 1 A 43 43 TYR CA C 43 58.627 58.884 -0.257 1
1 497 . 2 1 1 A 43 43 TYR CB C 43 39.628 39.524 0.104 1
1 502 . 2 1 1 A 43 43 TYR N N 43 116.167 119.969 -3.802 1
1 503 . 2 1 1 A 44 44 THR H H 44 8.785 8.837 -0.052 1
1 504 . 2 1 1 A 44 44 THR HA H 44 4.800 5.358 -0.558 1
1 509 . 2 1 1 A 44 44 THR C C 44 176.061 175.845 0.216 1
1 510 . 2 1 1 A 44 44 THR CA C 44 60.519 59.868 0.651 1
1 511 . 2 1 1 A 44 44 THR CB C 44 71.926 72.164 -0.238 1
1 513 . 2 1 1 A 44 44 THR N N 44 116.779 111.629 5.150 1
1 514 . 2 1 1 A 45 45 THR H H 45 8.849 8.659 0.190 1
1 515 . 2 1 1 A 45 45 THR HA H 45 3.626 3.936 -0.310 1
1 520 . 2 1 1 A 45 45 THR C C 45 176.458 176.298 0.160 1
1 521 . 2 1 1 A 45 45 THR CA C 45 65.716 65.705 0.011 1
1 522 . 2 1 1 A 45 45 THR CB C 45 67.141 67.890 -0.749 1
1 524 . 2 1 1 A 45 45 THR N N 45 112.579 114.944 -2.365 1
1 525 . 2 1 1 A 46 46 ILE H H 46 7.144 7.806 -0.662 1
1 526 . 2 1 1 A 46 46 ILE HA H 46 3.803 3.669 0.134 1
1 536 . 2 1 1 A 46 46 ILE C C 46 177.573 177.797 -0.224 1
1 537 . 2 1 1 A 46 46 ILE CA C 46 64.078 65.242 -1.164 1
1 538 . 2 1 1 A 46 46 ILE CB C 46 38.733 37.559 1.174 1
1 542 . 2 1 1 A 46 46 ILE N N 46 119.409 123.161 -3.752 1
1 543 . 2 1 1 A 47 47 GLN H H 47 7.552 8.410 -0.858 1
1 544 . 2 1 1 A 47 47 GLN HA H 47 4.124 3.945 0.179 1
1 551 . 2 1 1 A 47 47 GLN C C 47 179.640 178.766 0.874 1
1 552 . 2 1 1 A 47 47 GLN CA C 47 59.282 58.969 0.313 1
1 553 . 2 1 1 A 47 47 GLN CB C 47 29.242 28.532 0.710 1
1 555 . 2 1 1 A 47 47 GLN N N 47 119.564 118.472 1.092 1
1 557 . 2 1 1 A 48 48 ILE H H 48 8.520 8.100 0.420 1
1 558 . 2 1 1 A 48 48 ILE HA H 48 3.861 3.727 0.134 1
1 568 . 2 1 1 A 48 48 ILE C C 48 177.779 177.977 -0.198 1
1 569 . 2 1 1 A 48 48 ILE CA C 48 61.208 65.481 -4.273 1
1 570 . 2 1 1 A 48 48 ILE CB C 48 34.654 37.734 -3.080 1
1 574 . 2 1 1 A 48 48 ILE N N 48 118.052 120.551 -2.499 1
1 575 . 2 1 1 A 49 49 ALA H H 49 8.826 8.027 0.799 1
1 576 . 2 1 1 A 49 49 ALA HA H 49 4.071 4.065 0.006 1
1 580 . 2 1 1 A 49 49 ALA C C 49 179.849 180.100 -0.251 1
1 581 . 2 1 1 A 49 49 ALA CA C 49 55.909 54.959 0.950 1
1 582 . 2 1 1 A 49 49 ALA CB C 49 18.289 18.238 0.051 1
1 583 . 2 1 1 A 49 49 ALA N N 49 123.182 121.872 1.310 1
1 584 . 2 1 1 A 50 50 ASN H H 50 8.319 7.750 0.569 1
1 585 . 2 1 1 A 50 50 ASN HA H 50 4.517 4.477 0.040 1
1 590 . 2 1 1 A 50 50 ASN CA C 50 56.309 56.200 0.109 1
1 591 . 2 1 1 A 50 50 ASN CB C 50 38.198 38.593 -0.395 1
1 592 . 2 1 1 A 50 50 ASN N N 50 116.379 116.763 -0.384 1
1 594 . 2 1 1 A 51 51 MET H H 51 8.233 8.004 0.229 1
1 595 . 2 1 1 A 51 51 MET HA H 51 4.132 4.056 0.076 1
1 603 . 2 1 1 A 51 51 MET CA C 51 59.312 58.494 0.818 1
1 604 . 2 1 1 A 51 51 MET CB C 51 34.763 32.318 2.445 1
1 607 . 2 1 1 A 51 51 MET N N 51 119.934 118.205 1.729 1
1 608 . 2 1 1 A 52 52 MET H H 52 8.926 8.175 0.751 1
1 609 . 2 1 1 A 52 52 MET HA H 52 3.874 4.219 -0.345 1
1 617 . 2 1 1 A 52 52 MET C C 52 177.228 178.870 -1.642 1
1 618 . 2 1 1 A 52 52 MET CA C 52 60.218 58.504 1.714 1
1 619 . 2 1 1 A 52 52 MET CB C 52 33.427 32.997 0.430 1
1 622 . 2 1 1 A 52 52 MET N N 52 120.686 118.752 1.934 1
1 623 . 2 1 1 A 53 53 GLU H H 53 8.111 7.999 0.112 1
1 624 . 2 1 1 A 53 53 GLU HA H 53 3.863 4.058 -0.195 1
1 629 . 2 1 1 A 53 53 GLU C C 53 177.640 178.761 -1.121 1
1 630 . 2 1 1 A 53 53 GLU CA C 53 59.847 59.806 0.041 1
1 631 . 2 1 1 A 53 53 GLU CB C 53 29.778 29.395 0.383 1
1 633 . 2 1 1 A 53 53 GLU N N 53 119.207 119.048 0.159 1
1 634 . 2 1 1 A 54 54 GLU H H 54 7.030 7.683 -0.653 1
1 635 . 2 1 1 A 54 54 GLU HA H 54 4.014 4.237 -0.223 1
1 640 . 2 1 1 A 54 54 GLU C C 54 178.008 178.720 -0.712 1
1 641 . 2 1 1 A 54 54 GLU CA C 54 58.211 58.250 -0.039 1
1 642 . 2 1 1 A 54 54 GLU CB C 54 30.149 30.224 -0.075 1
1 644 . 2 1 1 A 54 54 GLU N N 54 115.049 119.181 -4.132 1
1 645 . 2 1 1 A 55 55 LYS H H 55 7.670 8.105 -0.435 1
1 646 . 2 1 1 A 55 55 LYS HA H 55 3.930 3.802 0.128 1
1 655 . 2 1 1 A 55 55 LYS C C 55 175.986 176.658 -0.672 1
1 656 . 2 1 1 A 55 55 LYS CA C 55 56.405 59.092 -2.687 1
1 657 . 2 1 1 A 55 55 LYS CB C 55 32.705 31.497 1.208 1
1 661 . 2 1 1 A 55 55 LYS N N 55 117.040 120.068 -3.028 1
1 662 . 2 1 1 A 56 56 PHE H H 56 8.079 7.849 0.230 1
1 663 . 2 1 1 A 56 56 PHE HA H 56 5.215 5.011 0.204 1
1 671 . 2 1 1 A 56 56 PHE CA C 56 53.965 55.019 -1.054 1
1 672 . 2 1 1 A 56 56 PHE CB C 56 38.759 38.955 -0.196 1
1 678 . 2 1 1 A 56 56 PHE N N 56 117.341 116.376 0.965 1
1 679 . 2 1 1 A 57 57 PRO HA H 57 4.514 4.576 -0.062 1
1 686 . 2 1 1 A 57 57 PRO CA C 57 64.818 64.191 0.627 1
1 687 . 2 1 1 A 57 57 PRO CB C 57 32.192 31.847 0.345 1
1 690 . 2 1 1 A 58 58 ALA H H 58 8.619 8.278 0.341 1
1 691 . 2 1 1 A 58 58 ALA HA H 58 4.206 4.289 -0.083 1
1 695 . 2 1 1 A 58 58 ALA CA C 58 55.406 55.092 0.314 1
1 696 . 2 1 1 A 58 58 ALA CB C 58 18.353 19.663 -1.310 1
1 697 . 2 1 1 A 58 58 ALA N N 58 120.173 121.068 -0.895 1
1 698 . 2 1 1 A 59 59 ASP H H 59 7.515 8.065 -0.550 1
1 699 . 2 1 1 A 59 59 ASP HA H 59 4.810 4.618 0.192 1
1 702 . 2 1 1 A 59 59 ASP CA C 59 52.659 53.384 -0.725 1
1 703 . 2 1 1 A 59 59 ASP CB C 59 41.778 41.497 0.281 1
1 704 . 2 1 1 A 59 59 ASP N N 59 113.536 114.092 -0.556 1
1 705 . 2 1 1 A 60 60 SER H H 60 8.392 8.778 -0.386 1
1 706 . 2 1 1 A 60 60 SER HA H 60 4.176 4.676 -0.500 1
1 709 . 2 1 1 A 60 60 SER CA C 60 60.221 59.615 0.606 1
1 710 . 2 1 1 A 60 60 SER CB C 60 62.050 61.628 0.422 1
1 711 . 2 1 1 A 60 60 SER N N 60 113.717 111.698 2.019 1
1 712 . 2 1 1 A 61 61 GLY H H 61 8.299 8.032 0.267 1
1 713 . 2 1 1 A 61 61 GLY HA2 H 61 4.005 3.754 0.251 1
1 714 . 2 1 1 A 61 61 GLY HA3 H 61 3.502 3.967 -0.465 1
1 715 . 2 1 1 A 61 61 GLY CA C 61 45.554 45.487 0.067 1
1 716 . 2 1 1 A 61 61 GLY N N 61 104.225 106.207 -1.982 1
1 717 . 2 1 1 A 62 62 LEU H H 62 7.927 7.853 0.074 1
1 718 . 2 1 1 A 62 62 LEU HA H 62 3.915 3.972 -0.057 1
1 728 . 2 1 1 A 62 62 LEU CA C 62 58.075 57.758 0.317 1
1 729 . 2 1 1 A 62 62 LEU CB C 62 41.731 42.150 -0.419 1
1 733 . 2 1 1 A 62 62 LEU N N 62 122.094 122.719 -0.625 1
1 734 . 2 1 1 A 63 63 GLY H H 63 8.566 8.265 0.301 1
1 735 . 2 1 1 A 63 63 GLY HA2 H 63 3.847 3.775 0.072 1
1 736 . 2 1 1 A 63 63 GLY HA3 H 63 3.592 3.792 -0.200 1
1 737 . 2 1 1 A 63 63 GLY CA C 63 47.146 47.023 0.123 1
1 738 . 2 1 1 A 63 63 GLY N N 63 105.732 106.241 -0.509 1
1 739 . 2 1 1 A 64 64 LYS H H 64 7.509 8.041 -0.532 1
1 740 . 2 1 1 A 64 64 LYS HA H 64 4.115 3.980 0.135 1
1 749 . 2 1 1 A 64 64 LYS C C 64 179.856 178.972 0.884 1
1 750 . 2 1 1 A 64 64 LYS CA C 64 57.768 58.977 -1.209 1
1 751 . 2 1 1 A 64 64 LYS CB C 64 31.542 31.981 -0.439 1
1 755 . 2 1 1 A 64 64 LYS N N 64 120.697 121.777 -1.080 1
1 756 . 2 1 1 A 65 65 LEU H H 65 7.544 7.967 -0.423 1
1 757 . 2 1 1 A 65 65 LEU HA H 65 4.219 3.893 0.326 1
1 767 . 2 1 1 A 65 65 LEU C C 65 178.606 178.642 -0.036 1
1 768 . 2 1 1 A 65 65 LEU CA C 65 57.675 58.081 -0.406 1
1 769 . 2 1 1 A 65 65 LEU CB C 65 41.040 41.606 -0.566 1
1 773 . 2 1 1 A 65 65 LEU N N 65 120.399 120.639 -0.240 1
1 774 . 2 1 1 A 66 66 ILE H H 66 8.605 8.152 0.453 1
1 775 . 2 1 1 A 66 66 ILE HA H 66 3.271 3.546 -0.275 1
1 785 . 2 1 1 A 66 66 ILE C C 66 176.721 177.882 -1.161 1
1 786 . 2 1 1 A 66 66 ILE CA C 66 67.612 65.903 1.709 1
1 787 . 2 1 1 A 66 66 ILE CB C 66 38.006 37.739 0.267 1
1 791 . 2 1 1 A 66 66 ILE N N 66 121.170 120.098 1.072 1
1 792 . 2 1 1 A 67 67 GLU H H 67 8.157 7.799 0.358 1
1 793 . 2 1 1 A 67 67 GLU HA H 67 4.007 3.962 0.045 1
1 798 . 2 1 1 A 67 67 GLU C C 67 178.848 179.052 -0.204 1
1 799 . 2 1 1 A 67 67 GLU CA C 67 59.476 59.807 -0.331 1
1 800 . 2 1 1 A 67 67 GLU CB C 67 30.055 29.453 0.602 1
1 802 . 2 1 1 A 67 67 GLU N N 67 118.066 118.846 -0.780 1
1 803 . 2 1 1 A 68 68 PHE H H 68 7.673 7.986 -0.313 1
1 804 . 2 1 1 A 68 68 PHE HA H 68 4.393 4.059 0.334 1
1 812 . 2 1 1 A 68 68 PHE C C 68 176.609 177.948 -1.339 1
1 813 . 2 1 1 A 68 68 PHE CA C 68 60.660 61.734 -1.074 1
1 814 . 2 1 1 A 68 68 PHE CB C 68 39.666 39.438 0.228 1
1 820 . 2 1 1 A 68 68 PHE N N 68 119.383 120.733 -1.350 1
1 821 . 2 1 1 A 69 69 CYS H H 69 8.137 7.917 0.220 1
1 822 . 2 1 1 A 69 69 CYS HA H 69 3.714 3.898 -0.184 1
1 825 . 2 1 1 A 69 69 CYS C C 69 175.221 177.201 -1.980 1
1 826 . 2 1 1 A 69 69 CYS CA C 69 62.782 63.296 -0.514 1
1 827 . 2 1 1 A 69 69 CYS CB C 69 26.732 26.940 -0.208 1
1 828 . 2 1 1 A 69 69 CYS N N 69 115.218 116.288 -1.070 1
1 829 . 2 1 1 A 70 70 GLU H H 70 8.108 8.124 -0.016 1
1 830 . 2 1 1 A 70 70 GLU HA H 70 3.739 3.928 -0.189 1
1 835 . 2 1 1 A 70 70 GLU C C 70 178.404 179.118 -0.714 1
1 836 . 2 1 1 A 70 70 GLU CA C 70 58.839 59.521 -0.682 1
1 837 . 2 1 1 A 70 70 GLU CB C 70 30.149 29.069 1.080 1
1 839 . 2 1 1 A 70 70 GLU N N 70 113.937 119.631 -5.694 1
1 840 . 2 1 1 A 71 71 GLU H H 71 7.306 7.727 -0.421 1
1 841 . 2 1 1 A 71 71 GLU HA H 71 4.148 4.095 0.053 1
1 846 . 2 1 1 A 71 71 GLU C C 71 176.363 177.611 -1.248 1
1 847 . 2 1 1 A 71 71 GLU CA C 71 56.943 59.069 -2.126 1
1 848 . 2 1 1 A 71 71 GLU CB C 71 30.374 29.399 0.975 1
1 850 . 2 1 1 A 71 71 GLU N N 71 117.591 120.350 -2.759 1
1 851 . 2 1 1 A 72 72 VAL H H 72 7.055 7.530 -0.475 1
1 852 . 2 1 1 A 72 72 VAL HA H 72 4.220 4.039 0.181 1
1 860 . 2 1 1 A 72 72 VAL C C 72 174.906 175.704 -0.798 1
1 861 . 2 1 1 A 72 72 VAL CA C 72 59.360 60.026 -0.666 1
1 862 . 2 1 1 A 72 72 VAL CB C 72 33.462 31.582 1.880 1
1 865 . 2 1 1 A 72 72 VAL N N 72 122.531 120.251 2.280 1
1 866 . 2 1 1 A 73 73 PRO HA H 73 3.887 4.458 -0.571 1
1 873 . 2 1 1 A 73 73 PRO C C 73 179.162 177.131 2.031 1
1 874 . 2 1 1 A 73 73 PRO CA C 73 66.658 64.063 2.595 1
1 875 . 2 1 1 A 73 73 PRO CB C 73 31.819 31.680 0.139 1
1 878 . 2 1 1 A 74 74 ALA H H 74 8.188 8.149 0.039 1
1 879 . 2 1 1 A 74 74 ALA HA H 74 4.217 4.280 -0.063 1
1 883 . 2 1 1 A 74 74 ALA C C 74 178.535 178.204 0.331 1
1 884 . 2 1 1 A 74 74 ALA CA C 74 54.149 53.450 0.699 1
1 885 . 2 1 1 A 74 74 ALA CB C 74 19.305 19.403 -0.098 1
1 886 . 2 1 1 A 74 74 ALA N N 74 116.317 121.004 -4.687 1
1 887 . 2 1 1 A 75 75 LEU H H 75 8.188 7.130 1.058 1
1 888 . 2 1 1 A 75 75 LEU HA H 75 4.607 4.243 0.364 1
1 898 . 2 1 1 A 75 75 LEU C C 75 177.094 177.888 -0.794 1
1 899 . 2 1 1 A 75 75 LEU CA C 75 53.645 54.656 -1.011 1
1 900 . 2 1 1 A 75 75 LEU CB C 75 42.633 42.202 0.431 1
1 904 . 2 1 1 A 75 75 LEU N N 75 116.296 115.255 1.041 1
1 905 . 2 1 1 A 76 76 ARG H H 76 7.332 7.736 -0.404 1
1 906 . 2 1 1 A 76 76 ARG HA H 76 3.789 3.823 -0.034 1
1 913 . 2 1 1 A 76 76 ARG C C 76 179.457 178.838 0.619 1
1 914 . 2 1 1 A 76 76 ARG CA C 76 60.815 60.086 0.729 1
1 915 . 2 1 1 A 76 76 ARG CB C 76 29.535 29.939 -0.404 1
1 918 . 2 1 1 A 76 76 ARG N N 76 122.654 119.847 2.807 1
1 919 . 2 1 1 A 77 77 LYS H H 77 8.489 8.113 0.376 1
1 920 . 2 1 1 A 77 77 LYS HA H 77 4.118 3.930 0.188 1
1 929 . 2 1 1 A 77 77 LYS C C 77 179.135 178.950 0.185 1
1 930 . 2 1 1 A 77 77 LYS CA C 77 58.963 59.566 -0.603 1
1 931 . 2 1 1 A 77 77 LYS CB C 77 31.113 32.452 -1.339 1
1 935 . 2 1 1 A 77 77 LYS N N 77 119.343 119.929 -0.586 1
1 936 . 2 1 1 A 78 78 ARG H H 78 7.626 7.834 -0.208 1
1 937 . 2 1 1 A 78 78 ARG HA H 78 3.931 4.060 -0.129 1
1 944 . 2 1 1 A 78 78 ARG C C 78 178.200 179.141 -0.941 1
1 945 . 2 1 1 A 78 78 ARG CA C 78 56.415 59.185 -2.770 1
1 946 . 2 1 1 A 78 78 ARG CB C 78 27.010 30.144 -3.134 1
1 949 . 2 1 1 A 78 78 ARG N N 78 120.202 119.014 1.188 1
1 950 . 2 1 1 A 79 79 ALA H H 79 8.138 7.919 0.219 1
1 951 . 2 1 1 A 79 79 ALA HA H 79 3.837 4.053 -0.216 1
1 955 . 2 1 1 A 79 79 ALA C C 79 178.684 179.727 -1.043 1
1 956 . 2 1 1 A 79 79 ALA CA C 79 55.692 54.926 0.766 1
1 957 . 2 1 1 A 79 79 ALA CB C 79 18.376 18.385 -0.009 1
1 958 . 2 1 1 A 79 79 ALA N N 79 120.388 122.213 -1.825 1
1 959 . 2 1 1 A 80 80 GLU H H 80 7.437 8.312 -0.875 1
1 960 . 2 1 1 A 80 80 GLU HA H 80 3.877 4.083 -0.206 1
1 965 . 2 1 1 A 80 80 GLU C C 80 179.640 178.409 1.231 1
1 966 . 2 1 1 A 80 80 GLU CA C 80 59.370 58.736 0.634 1
1 967 . 2 1 1 A 80 80 GLU CB C 80 29.445 28.321 1.124 1
1 969 . 2 1 1 A 80 80 GLU N N 80 115.384 116.240 -0.856 1
1 970 . 2 1 1 A 81 81 ILE H H 81 7.721 7.732 -0.011 1
1 971 . 2 1 1 A 81 81 ILE HA H 81 3.675 3.847 -0.172 1
1 981 . 2 1 1 A 81 81 ILE C C 81 178.179 178.632 -0.453 1
1 982 . 2 1 1 A 81 81 ILE CA C 81 65.187 64.394 0.793 1
1 983 . 2 1 1 A 81 81 ILE CB C 81 38.471 37.586 0.885 1
1 987 . 2 1 1 A 81 81 ILE N N 81 121.563 121.363 0.200 1
1 988 . 2 1 1 A 82 82 LEU H H 82 8.374 8.614 -0.240 1
1 989 . 2 1 1 A 82 82 LEU HA H 82 3.930 3.942 -0.012 1
1 999 . 2 1 1 A 82 82 LEU C C 82 179.279 179.449 -0.170 1
1 1000 . 2 1 1 A 82 82 LEU CA C 82 58.038 57.201 0.837 1
1 1001 . 2 1 1 A 82 82 LEU CB C 82 42.869 40.934 1.935 1
1 1005 . 2 1 1 A 82 82 LEU N N 82 119.839 120.048 -0.209 1
1 1006 . 2 1 1 A 83 83 LYS H H 83 8.153 7.991 0.162 1
1 1007 . 2 1 1 A 83 83 LYS HA H 83 3.740 4.054 -0.314 1
1 1016 . 2 1 1 A 83 83 LYS C C 83 179.548 178.778 0.770 1
1 1017 . 2 1 1 A 83 83 LYS CA C 83 60.433 59.617 0.816 1
1 1018 . 2 1 1 A 83 83 LYS CB C 83 32.703 32.361 0.342 1
1 1022 . 2 1 1 A 83 83 LYS N N 83 117.092 120.074 -2.982 1
1 1023 . 2 1 1 A 84 84 LYS H H 84 7.705 7.566 0.139 1
1 1024 . 2 1 1 A 84 84 LYS HA H 84 4.101 3.897 0.204 1
1 1033 . 2 1 1 A 84 84 LYS C C 84 179.082 178.939 0.143 1
1 1034 . 2 1 1 A 84 84 LYS CA C 84 59.120 59.942 -0.822 1
1 1035 . 2 1 1 A 84 84 LYS CB C 84 32.291 32.334 -0.043 1
1 1039 . 2 1 1 A 84 84 LYS N N 84 121.473 120.155 1.318 1
1 1040 . 2 1 1 A 85 85 GLU H H 85 8.567 7.987 0.580 1
1 1041 . 2 1 1 A 85 85 GLU HA H 85 4.013 4.100 -0.087 1
1 1046 . 2 1 1 A 85 85 GLU CA C 85 59.360 59.081 0.279 1
1 1047 . 2 1 1 A 85 85 GLU CB C 85 30.033 29.375 0.658 1
1 1049 . 2 1 1 A 85 85 GLU N N 85 119.645 118.255 1.390 1
1 1050 . 2 1 1 A 86 86 ARG H H 86 8.467 7.693 0.774 1
1 1051 . 2 1 1 A 86 86 ARG HA H 86 4.030 4.162 -0.132 1
1 1058 . 2 1 1 A 86 86 ARG C C 86 177.790 175.912 1.878 1
1 1059 . 2 1 1 A 86 86 ARG CA C 86 58.556 59.122 -0.566 1
1 1060 . 2 1 1 A 86 86 ARG CB C 86 30.377 30.282 0.095 1
1 1063 . 2 1 1 A 86 86 ARG N N 86 119.408 120.585 -1.177 1
1 1064 . 2 1 1 A 87 87 SER H H 87 7.851 8.276 -0.425 1
1 1065 . 2 1 1 A 87 87 SER HA H 87 4.369 4.933 -0.564 1
1 1068 . 2 1 1 A 87 87 SER C C 87 175.282 173.297 1.985 1
1 1069 . 2 1 1 A 87 87 SER CA C 87 60.271 56.424 3.847 1
1 1070 . 2 1 1 A 87 87 SER CB C 87 63.601 64.889 -1.288 1
1 1071 . 2 1 1 A 87 87 SER N N 87 115.071 113.699 1.372 1
1 1072 . 2 1 1 A 88 88 GLU H H 88 7.891 8.909 -1.018 1
1 1073 . 2 1 1 A 88 88 GLU HA H 88 4.316 4.661 -0.345 1
1 1078 . 2 1 1 A 88 88 GLU C C 88 176.801 176.422 0.379 1
1 1079 . 2 1 1 A 88 88 GLU CA C 88 57.036 54.931 2.105 1
1 1080 . 2 1 1 A 88 88 GLU CB C 88 30.024 30.764 -0.740 1
1 1082 . 2 1 1 A 88 88 GLU N N 88 121.067 126.627 -5.560 1
1 1083 . 2 1 1 A 89 89 SER H H 89 7.934 8.241 -0.307 1
1 1084 . 2 1 1 A 89 89 SER HA H 89 4.503 4.161 0.342 1
1 1087 . 2 1 1 A 89 89 SER C C 89 174.624 174.022 0.602 1
1 1088 . 2 1 1 A 89 89 SER CA C 89 58.875 59.047 -0.172 1
1 1089 . 2 1 1 A 89 89 SER CB C 89 64.040 61.143 2.897 1
1 1090 . 2 1 1 A 89 89 SER N N 89 115.241 116.043 -0.802 1
1 1091 . 2 1 1 A 90 90 GLY H H 90 8.062 8.109 -0.047 1
1 1092 . 2 1 1 A 90 90 GLY HA2 H 90 4.210 4.012 0.198 1
1 1093 . 2 1 1 A 90 90 GLY HA3 H 90 4.083 4.012 0.071 1
1 1094 . 2 1 1 A 90 90 GLY C C 90 171.774 173.080 -1.306 1
1 1095 . 2 1 1 A 90 90 GLY CA C 90 44.872 44.917 -0.045 1
1 1096 . 2 1 1 A 90 90 GLY N N 90 110.384 109.961 0.423 1
1 1097 . 2 1 1 A 91 91 PRO HA H 91 4.495 4.445 0.050 1
1 1104 . 2 1 1 A 91 91 PRO C C 91 177.475 177.026 0.449 1
1 1105 . 2 1 1 A 91 91 PRO CA C 91 63.295 62.871 0.424 1
1 1106 . 2 1 1 A 91 91 PRO CB C 91 32.234 32.095 0.139 1
1 1109 . 2 1 1 A 92 92 SER H H 92 8.557 8.413 0.144 1
1 1110 . 2 1 1 A 92 92 SER HA H 92 4.575 4.339 0.236 1
1 1113 . 2 1 1 A 92 92 SER C C 92 174.736 174.289 0.447 1
1 1114 . 2 1 1 A 92 92 SER CA C 92 58.380 60.324 -1.944 1
1 1115 . 2 1 1 A 92 92 SER CB C 92 64.221 63.549 0.672 1
1 1 . 3 1 1 A 6 6 SER H H 6 8.063 7.911 0.152 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.493 4.802 -0.309 1
1 5 . 3 1 1 A 6 6 SER CA C 6 59.071 57.827 1.244 1
1 6 . 3 1 1 A 6 6 SER CB C 6 63.626 62.057 1.569 1
1 7 . 3 1 1 A 7 7 GLY H H 7 8.424 7.870 0.554 1
1 8 . 3 1 1 A 7 7 GLY HA2 H 7 3.985 3.945 0.040 1
1 9 . 3 1 1 A 7 7 GLY HA3 H 7 3.834 3.946 -0.112 1
1 10 . 3 1 1 A 7 7 GLY CA C 7 47.092 46.840 0.252 1
1 11 . 3 1 1 A 7 7 GLY N N 7 109.548 109.350 0.198 1
1 12 . 3 1 1 A 8 8 ILE H H 8 7.565 8.172 -0.607 1
1 13 . 3 1 1 A 8 8 ILE HA H 8 3.883 4.825 -0.942 1
1 23 . 3 1 1 A 8 8 ILE CA C 8 63.805 59.751 4.054 1
1 24 . 3 1 1 A 8 8 ILE CB C 8 37.866 41.025 -3.159 1
1 28 . 3 1 1 A 8 8 ILE N N 8 123.348 124.743 -1.395 1
1 29 . 3 1 1 A 9 9 VAL H H 9 7.538 8.543 -1.005 1
1 30 . 3 1 1 A 9 9 VAL HA H 9 3.471 4.704 -1.233 1
1 38 . 3 1 1 A 9 9 VAL CA C 9 66.382 59.770 6.612 1
1 39 . 3 1 1 A 9 9 VAL CB C 9 31.755 35.373 -3.618 1
1 42 . 3 1 1 A 9 9 VAL N N 9 121.471 122.903 -1.432 1
1 43 . 3 1 1 A 10 10 LEU H H 10 7.941 8.949 -1.008 1
1 44 . 3 1 1 A 10 10 LEU HA H 10 3.848 3.999 -0.151 1
1 54 . 3 1 1 A 10 10 LEU CA C 10 58.619 57.679 0.940 1
1 55 . 3 1 1 A 10 10 LEU CB C 10 41.377 41.720 -0.343 1
1 59 . 3 1 1 A 10 10 LEU N N 10 119.521 128.069 -8.548 1
1 60 . 3 1 1 A 11 11 LEU H H 11 8.207 7.822 0.385 1
1 61 . 3 1 1 A 11 11 LEU HA H 11 3.792 4.171 -0.379 1
1 71 . 3 1 1 A 11 11 LEU CA C 11 58.241 57.065 1.176 1
1 72 . 3 1 1 A 11 11 LEU CB C 11 41.790 41.553 0.237 1
1 76 . 3 1 1 A 11 11 LEU N N 11 119.938 119.861 0.077 1
1 77 . 3 1 1 A 12 12 ARG H H 12 7.904 8.459 -0.555 1
1 78 . 3 1 1 A 12 12 ARG HA H 12 3.966 3.917 0.049 1
1 85 . 3 1 1 A 12 12 ARG CA C 12 59.301 59.772 -0.471 1
1 86 . 3 1 1 A 12 12 ARG CB C 12 30.132 30.079 0.053 1
1 89 . 3 1 1 A 12 12 ARG N N 12 116.799 119.458 -2.659 1
1 90 . 3 1 1 A 13 13 GLY H H 13 8.190 8.458 -0.268 1
1 91 . 3 1 1 A 13 13 GLY HA2 H 13 3.740 3.776 -0.036 1
1 92 . 3 1 1 A 13 13 GLY HA3 H 13 3.437 3.785 -0.348 1
1 93 . 3 1 1 A 13 13 GLY CA C 13 47.988 47.254 0.734 1
1 94 . 3 1 1 A 13 13 GLY N N 13 107.618 106.709 0.909 1
1 95 . 3 1 1 A 14 14 LEU H H 14 8.515 8.022 0.493 1
1 96 . 3 1 1 A 14 14 LEU HA H 14 3.785 3.930 -0.145 1
1 106 . 3 1 1 A 14 14 LEU C C 14 178.232 178.706 -0.474 1
1 107 . 3 1 1 A 14 14 LEU CA C 14 57.401 58.002 -0.601 1
1 108 . 3 1 1 A 14 14 LEU CB C 14 41.981 41.454 0.527 1
1 112 . 3 1 1 A 14 14 LEU N N 14 120.161 122.796 -2.635 1
1 113 . 3 1 1 A 15 15 GLU H H 15 7.931 8.123 -0.192 1
1 114 . 3 1 1 A 15 15 GLU HA H 15 4.030 3.873 0.157 1
1 119 . 3 1 1 A 15 15 GLU CA C 15 57.961 59.740 -1.779 1
1 120 . 3 1 1 A 15 15 GLU CB C 15 30.140 29.056 1.084 1
1 122 . 3 1 1 A 15 15 GLU N N 15 114.703 117.132 -2.429 1
1 123 . 3 1 1 A 16 16 CYS H H 16 7.612 8.344 -0.732 1
1 124 . 3 1 1 A 16 16 CYS HA H 16 4.457 4.124 0.333 1
1 127 . 3 1 1 A 16 16 CYS CA C 16 60.982 62.329 -1.347 1
1 128 . 3 1 1 A 16 16 CYS CB C 16 27.917 26.723 1.194 1
1 129 . 3 1 1 A 16 16 CYS N N 16 114.695 118.757 -4.062 1
1 130 . 3 1 1 A 17 17 ILE H H 17 7.142 7.105 0.037 1
1 131 . 3 1 1 A 17 17 ILE HA H 17 4.533 4.328 0.205 1
1 141 . 3 1 1 A 17 17 ILE CA C 17 61.521 61.117 0.404 1
1 142 . 3 1 1 A 17 17 ILE CB C 17 39.206 38.754 0.452 1
1 146 . 3 1 1 A 17 17 ILE N N 17 115.031 116.847 -1.816 1
1 147 . 3 1 1 A 18 18 ASN H H 18 8.325 8.899 -0.574 1
1 148 . 3 1 1 A 18 18 ASN HA H 18 4.575 4.780 -0.205 1
1 153 . 3 1 1 A 18 18 ASN C C 18 175.171 176.922 -1.751 1
1 154 . 3 1 1 A 18 18 ASN CA C 18 53.278 53.753 -0.475 1
1 155 . 3 1 1 A 18 18 ASN CB C 18 38.419 39.159 -0.740 1
1 156 . 3 1 1 A 18 18 ASN N N 18 119.943 122.949 -3.006 1
1 158 . 3 1 1 A 19 19 LYS H H 19 8.514 9.154 -0.640 1
1 159 . 3 1 1 A 19 19 LYS HA H 19 4.242 4.058 0.184 1
1 168 . 3 1 1 A 19 19 LYS C C 19 178.868 178.347 0.521 1
1 169 . 3 1 1 A 19 19 LYS CA C 19 60.006 60.407 -0.401 1
1 170 . 3 1 1 A 19 19 LYS CB C 19 32.291 32.380 -0.089 1
1 174 . 3 1 1 A 19 19 LYS N N 19 118.191 124.728 -6.537 1
1 175 . 3 1 1 A 20 20 HIS H H 20 8.328 8.131 0.197 1
1 176 . 3 1 1 A 20 20 HIS HA H 20 4.371 4.211 0.160 1
1 181 . 3 1 1 A 20 20 HIS C C 20 178.335 177.037 1.298 1
1 182 . 3 1 1 A 20 20 HIS CA C 20 59.785 59.316 0.469 1
1 183 . 3 1 1 A 20 20 HIS CB C 20 29.879 29.622 0.257 1
1 186 . 3 1 1 A 20 20 HIS N N 20 120.900 119.656 1.244 1
1 187 . 3 1 1 A 21 21 TYR H H 21 8.464 8.279 0.185 1
1 188 . 3 1 1 A 21 21 TYR HA H 21 4.540 4.225 0.315 1
1 195 . 3 1 1 A 21 21 TYR C C 21 178.222 178.493 -0.271 1
1 196 . 3 1 1 A 21 21 TYR CA C 21 61.863 61.794 0.069 1
1 197 . 3 1 1 A 21 21 TYR CB C 21 38.012 38.251 -0.239 1
1 202 . 3 1 1 A 21 21 TYR N N 21 118.132 117.495 0.637 1
1 203 . 3 1 1 A 22 22 PHE H H 22 9.095 8.510 0.585 1
1 204 . 3 1 1 A 22 22 PHE HA H 22 4.616 4.074 0.542 1
1 212 . 3 1 1 A 22 22 PHE C C 22 177.409 177.158 0.251 1
1 213 . 3 1 1 A 22 22 PHE CA C 22 59.761 61.811 -2.050 1
1 214 . 3 1 1 A 22 22 PHE CB C 22 38.982 39.247 -0.265 1
1 220 . 3 1 1 A 22 22 PHE N N 22 121.771 120.995 0.776 1
1 221 . 3 1 1 A 23 23 SER H H 23 8.400 8.542 -0.142 1
1 222 . 3 1 1 A 23 23 SER HA H 23 3.785 3.822 -0.037 1
1 225 . 3 1 1 A 23 23 SER C C 23 177.318 177.149 0.169 1
1 226 . 3 1 1 A 23 23 SER CA C 23 62.453 61.532 0.921 1
1 227 . 3 1 1 A 23 23 SER CB C 23 62.279 63.050 -0.771 1
1 228 . 3 1 1 A 23 23 SER N N 23 115.511 113.757 1.754 1
1 229 . 3 1 1 A 24 24 LEU H H 24 7.737 8.430 -0.693 1
1 230 . 3 1 1 A 24 24 LEU HA H 24 4.118 3.885 0.233 1
1 240 . 3 1 1 A 24 24 LEU C C 24 178.956 178.589 0.367 1
1 241 . 3 1 1 A 24 24 LEU CA C 24 57.992 57.798 0.194 1
1 242 . 3 1 1 A 24 24 LEU CB C 24 42.066 42.467 -0.401 1
1 246 . 3 1 1 A 24 24 LEU N N 24 123.378 121.988 1.390 1
1 247 . 3 1 1 A 25 25 PHE H H 25 8.643 7.691 0.952 1
1 248 . 3 1 1 A 25 25 PHE HA H 25 3.475 3.416 0.059 1
1 256 . 3 1 1 A 25 25 PHE C C 25 176.905 176.676 0.229 1
1 257 . 3 1 1 A 25 25 PHE CA C 25 61.196 61.446 -0.250 1
1 258 . 3 1 1 A 25 25 PHE CB C 25 38.741 38.614 0.127 1
1 264 . 3 1 1 A 25 25 PHE N N 25 122.640 118.548 4.092 1
1 265 . 3 1 1 A 26 26 LYS H H 26 8.022 7.627 0.395 1
1 266 . 3 1 1 A 26 26 LYS HA H 26 3.197 3.639 -0.442 1
1 275 . 3 1 1 A 26 26 LYS C C 26 177.424 179.235 -1.811 1
1 276 . 3 1 1 A 26 26 LYS CA C 26 61.439 59.259 2.180 1
1 277 . 3 1 1 A 26 26 LYS CB C 26 32.363 31.877 0.486 1
1 281 . 3 1 1 A 26 26 LYS N N 26 116.023 117.522 -1.499 1
1 282 . 3 1 1 A 27 27 SER H H 27 7.473 7.920 -0.447 1
1 283 . 3 1 1 A 27 27 SER HA H 27 4.134 4.094 0.040 1
1 286 . 3 1 1 A 27 27 SER C C 27 177.449 176.272 1.177 1
1 287 . 3 1 1 A 27 27 SER CA C 27 61.544 62.282 -0.738 1
1 288 . 3 1 1 A 27 27 SER CB C 27 62.828 62.665 0.163 1
1 289 . 3 1 1 A 27 27 SER N N 27 111.668 116.692 -5.024 1
1 290 . 3 1 1 A 28 28 LEU H H 28 7.625 7.621 0.004 1
1 291 . 3 1 1 A 28 28 LEU HA H 28 4.117 4.017 0.100 1
1 301 . 3 1 1 A 28 28 LEU C C 28 179.076 177.928 1.148 1
1 302 . 3 1 1 A 28 28 LEU CA C 28 57.336 56.934 0.402 1
1 303 . 3 1 1 A 28 28 LEU CB C 28 41.585 41.578 0.007 1
1 307 . 3 1 1 A 28 28 LEU N N 28 123.121 120.862 2.259 1
1 308 . 3 1 1 A 29 29 LEU H H 29 7.391 7.548 -0.157 1
1 309 . 3 1 1 A 29 29 LEU HA H 29 4.276 4.229 0.047 1
1 319 . 3 1 1 A 29 29 LEU C C 29 177.606 177.806 -0.200 1
1 320 . 3 1 1 A 29 29 LEU CA C 29 54.243 55.297 -1.054 1
1 321 . 3 1 1 A 29 29 LEU CB C 29 41.665 42.224 -0.559 1
1 325 . 3 1 1 A 29 29 LEU N N 29 119.910 117.905 2.005 1
1 326 . 3 1 1 A 30 30 ALA H H 30 7.242 8.387 -1.145 1
1 327 . 3 1 1 A 30 30 ALA HA H 30 3.505 3.917 -0.412 1
1 331 . 3 1 1 A 30 30 ALA C C 30 179.568 179.433 0.135 1
1 332 . 3 1 1 A 30 30 ALA CA C 30 56.470 55.501 0.969 1
1 333 . 3 1 1 A 30 30 ALA CB C 30 18.818 18.615 0.203 1
1 334 . 3 1 1 A 30 30 ALA N N 30 122.470 122.289 0.181 1
1 335 . 3 1 1 A 31 31 ARG H H 31 8.256 7.839 0.417 1
1 336 . 3 1 1 A 31 31 ARG HA H 31 4.142 4.080 0.062 1
1 343 . 3 1 1 A 31 31 ARG C C 31 179.303 178.261 1.042 1
1 344 . 3 1 1 A 31 31 ARG CA C 31 58.917 58.790 0.127 1
1 345 . 3 1 1 A 31 31 ARG CB C 31 29.407 30.163 -0.756 1
1 348 . 3 1 1 A 31 31 ARG N N 31 116.240 117.177 -0.937 1
1 349 . 3 1 1 A 32 32 ASP H H 32 8.205 8.123 0.082 1
1 350 . 3 1 1 A 32 32 ASP HA H 32 4.334 4.301 0.033 1
1 353 . 3 1 1 A 32 32 ASP C C 32 177.470 178.737 -1.267 1
1 354 . 3 1 1 A 32 32 ASP CA C 32 57.336 57.060 0.276 1
1 355 . 3 1 1 A 32 32 ASP CB C 32 41.582 40.841 0.741 1
1 356 . 3 1 1 A 32 32 ASP N N 32 120.398 120.282 0.116 1
1 357 . 3 1 1 A 33 33 LEU H H 33 7.933 8.109 -0.176 1
1 358 . 3 1 1 A 33 33 LEU HA H 33 4.206 4.091 0.115 1
1 368 . 3 1 1 A 33 33 LEU C C 33 175.261 176.363 -1.102 1
1 369 . 3 1 1 A 33 33 LEU CA C 33 53.700 55.670 -1.970 1
1 370 . 3 1 1 A 33 33 LEU CB C 33 41.306 42.021 -0.715 1
1 374 . 3 1 1 A 33 33 LEU N N 33 113.338 118.292 -4.954 1
1 375 . 3 1 1 A 34 34 ASN H H 34 7.688 8.151 -0.463 1
1 376 . 3 1 1 A 34 34 ASN HA H 34 4.307 4.267 0.040 1
1 381 . 3 1 1 A 34 34 ASN C C 34 175.092 174.570 0.522 1
1 382 . 3 1 1 A 34 34 ASN CA C 34 53.960 54.360 -0.400 1
1 383 . 3 1 1 A 34 34 ASN CB C 34 37.073 36.545 0.528 1
1 384 . 3 1 1 A 34 34 ASN N N 34 116.912 115.161 1.751 1
1 386 . 3 1 1 A 35 35 LEU H H 35 8.177 8.228 -0.051 1
1 387 . 3 1 1 A 35 35 LEU HA H 35 4.008 4.396 -0.388 1
1 397 . 3 1 1 A 35 35 LEU C C 35 177.637 176.717 0.920 1
1 398 . 3 1 1 A 35 35 LEU CA C 35 54.233 54.769 -0.536 1
1 399 . 3 1 1 A 35 35 LEU CB C 35 41.024 42.355 -1.331 1
1 403 . 3 1 1 A 35 35 LEU N N 35 115.363 119.131 -3.768 1
1 404 . 3 1 1 A 36 36 GLU H H 36 8.419 9.223 -0.804 1
1 405 . 3 1 1 A 36 36 GLU HA H 36 4.175 4.551 -0.376 1
1 410 . 3 1 1 A 36 36 GLU C C 36 177.626 177.450 0.176 1
1 411 . 3 1 1 A 36 36 GLU CA C 36 56.872 55.729 1.143 1
1 412 . 3 1 1 A 36 36 GLU CB C 36 29.675 29.580 0.095 1
1 414 . 3 1 1 A 36 36 GLU N N 36 122.591 121.321 1.270 1
1 415 . 3 1 1 A 37 37 ARG H H 37 8.577 8.755 -0.178 1
1 416 . 3 1 1 A 37 37 ARG HA H 37 3.889 4.082 -0.193 1
1 423 . 3 1 1 A 37 37 ARG C C 37 178.119 176.955 1.164 1
1 424 . 3 1 1 A 37 37 ARG CA C 37 58.924 58.764 0.160 1
1 425 . 3 1 1 A 37 37 ARG CB C 37 30.074 29.661 0.413 1
1 428 . 3 1 1 A 37 37 ARG N N 37 124.790 124.900 -0.110 1
1 429 . 3 1 1 A 38 38 ASP H H 38 8.623 8.463 0.160 1
1 430 . 3 1 1 A 38 38 ASP HA H 38 4.591 4.688 -0.097 1
1 433 . 3 1 1 A 38 38 ASP C C 38 176.021 176.479 -0.458 1
1 434 . 3 1 1 A 38 38 ASP CA C 38 55.073 55.995 -0.922 1
1 435 . 3 1 1 A 38 38 ASP CB C 38 40.722 41.598 -0.876 1
1 436 . 3 1 1 A 38 38 ASP N N 38 116.313 118.330 -2.017 1
1 437 . 3 1 1 A 39 39 ASN H H 39 7.668 8.020 -0.352 1
1 438 . 3 1 1 A 39 39 ASN HA H 39 4.936 4.884 0.052 1
1 443 . 3 1 1 A 39 39 ASN C C 39 175.702 175.890 -0.188 1
1 444 . 3 1 1 A 39 39 ASN CA C 39 52.626 51.779 0.847 1
1 445 . 3 1 1 A 39 39 ASN CB C 39 38.966 38.645 0.321 1
1 446 . 3 1 1 A 39 39 ASN N N 39 116.330 117.666 -1.336 1
1 448 . 3 1 1 A 40 40 GLN H H 40 8.324 7.904 0.420 1
1 449 . 3 1 1 A 40 40 GLN HA H 40 4.285 4.411 -0.126 1
1 456 . 3 1 1 A 40 40 GLN C C 40 178.897 178.498 0.399 1
1 457 . 3 1 1 A 40 40 GLN CA C 40 58.513 57.689 0.824 1
1 458 . 3 1 1 A 40 40 GLN CB C 40 29.225 28.575 0.650 1
1 460 . 3 1 1 A 40 40 GLN N N 40 119.556 122.887 -3.331 1
1 462 . 3 1 1 A 41 41 GLU H H 41 8.956 8.276 0.680 1
1 463 . 3 1 1 A 41 41 GLU HA H 41 3.950 4.099 -0.149 1
1 468 . 3 1 1 A 41 41 GLU C C 41 176.712 178.398 -1.686 1
1 469 . 3 1 1 A 41 41 GLU CA C 41 58.716 59.458 -0.742 1
1 470 . 3 1 1 A 41 41 GLU CB C 41 29.124 29.223 -0.099 1
1 472 . 3 1 1 A 41 41 GLU N N 41 121.919 118.985 2.934 1
1 473 . 3 1 1 A 42 42 GLN H H 42 7.634 8.200 -0.566 1
1 474 . 3 1 1 A 42 42 GLN HA H 42 4.052 4.128 -0.076 1
1 481 . 3 1 1 A 42 42 GLN C C 42 176.286 176.073 0.213 1
1 482 . 3 1 1 A 42 42 GLN CA C 42 56.859 58.022 -1.163 1
1 483 . 3 1 1 A 42 42 GLN CB C 42 28.418 27.976 0.442 1
1 485 . 3 1 1 A 42 42 GLN N N 42 114.515 117.677 -3.162 1
1 487 . 3 1 1 A 43 43 TYR H H 43 6.692 7.730 -1.038 1
1 488 . 3 1 1 A 43 43 TYR HA H 43 4.866 4.667 0.199 1
1 495 . 3 1 1 A 43 43 TYR C C 43 177.063 175.556 1.507 1
1 496 . 3 1 1 A 43 43 TYR CA C 43 58.627 59.011 -0.384 1
1 497 . 3 1 1 A 43 43 TYR CB C 43 39.628 39.746 -0.118 1
1 502 . 3 1 1 A 43 43 TYR N N 43 116.167 119.942 -3.775 1
1 503 . 3 1 1 A 44 44 THR H H 44 8.785 8.876 -0.091 1
1 504 . 3 1 1 A 44 44 THR HA H 44 4.800 5.469 -0.669 1
1 509 . 3 1 1 A 44 44 THR C C 44 176.061 175.931 0.130 1
1 510 . 3 1 1 A 44 44 THR CA C 44 60.519 60.092 0.427 1
1 511 . 3 1 1 A 44 44 THR CB C 44 71.926 71.760 0.166 1
1 513 . 3 1 1 A 44 44 THR N N 44 116.779 112.751 4.028 1
1 514 . 3 1 1 A 45 45 THR H H 45 8.849 8.606 0.243 1
1 515 . 3 1 1 A 45 45 THR HA H 45 3.626 3.829 -0.203 1
1 520 . 3 1 1 A 45 45 THR C C 45 176.458 176.324 0.134 1
1 521 . 3 1 1 A 45 45 THR CA C 45 65.716 65.455 0.261 1
1 522 . 3 1 1 A 45 45 THR CB C 45 67.141 67.783 -0.642 1
1 524 . 3 1 1 A 45 45 THR N N 45 112.579 114.763 -2.184 1
1 525 . 3 1 1 A 46 46 ILE H H 46 7.144 7.694 -0.550 1
1 526 . 3 1 1 A 46 46 ILE HA H 46 3.803 3.731 0.072 1
1 536 . 3 1 1 A 46 46 ILE C C 46 177.573 177.874 -0.301 1
1 537 . 3 1 1 A 46 46 ILE CA C 46 64.078 64.998 -0.920 1
1 538 . 3 1 1 A 46 46 ILE CB C 46 38.733 37.428 1.305 1
1 542 . 3 1 1 A 46 46 ILE N N 46 119.409 123.119 -3.710 1
1 543 . 3 1 1 A 47 47 GLN H H 47 7.552 7.974 -0.422 1
1 544 . 3 1 1 A 47 47 GLN HA H 47 4.124 4.081 0.043 1
1 551 . 3 1 1 A 47 47 GLN C C 47 179.640 178.757 0.883 1
1 552 . 3 1 1 A 47 47 GLN CA C 47 59.282 59.191 0.091 1
1 553 . 3 1 1 A 47 47 GLN CB C 47 29.242 28.448 0.794 1
1 555 . 3 1 1 A 47 47 GLN N N 47 119.564 118.575 0.989 1
1 557 . 3 1 1 A 48 48 ILE H H 48 8.520 8.017 0.503 1
1 558 . 3 1 1 A 48 48 ILE HA H 48 3.861 3.787 0.074 1
1 568 . 3 1 1 A 48 48 ILE C C 48 177.779 178.079 -0.300 1
1 569 . 3 1 1 A 48 48 ILE CA C 48 61.208 63.928 -2.720 1
1 570 . 3 1 1 A 48 48 ILE CB C 48 34.654 36.370 -1.716 1
1 574 . 3 1 1 A 48 48 ILE N N 48 118.052 121.164 -3.112 1
1 575 . 3 1 1 A 49 49 ALA H H 49 8.826 8.775 0.051 1
1 576 . 3 1 1 A 49 49 ALA HA H 49 4.071 4.143 -0.072 1
1 580 . 3 1 1 A 49 49 ALA C C 49 179.849 180.034 -0.185 1
1 581 . 3 1 1 A 49 49 ALA CA C 49 55.909 55.760 0.149 1
1 582 . 3 1 1 A 49 49 ALA CB C 49 18.289 18.425 -0.136 1
1 583 . 3 1 1 A 49 49 ALA N N 49 123.182 123.428 -0.246 1
1 584 . 3 1 1 A 50 50 ASN H H 50 8.319 8.121 0.198 1
1 585 . 3 1 1 A 50 50 ASN HA H 50 4.517 4.405 0.112 1
1 590 . 3 1 1 A 50 50 ASN CA C 50 56.309 56.774 -0.465 1
1 591 . 3 1 1 A 50 50 ASN CB C 50 38.198 38.064 0.134 1
1 592 . 3 1 1 A 50 50 ASN N N 50 116.379 117.546 -1.167 1
1 594 . 3 1 1 A 51 51 MET H H 51 8.233 7.926 0.307 1
1 595 . 3 1 1 A 51 51 MET HA H 51 4.132 4.058 0.074 1
1 603 . 3 1 1 A 51 51 MET CA C 51 59.312 58.483 0.829 1
1 604 . 3 1 1 A 51 51 MET CB C 51 34.763 32.173 2.590 1
1 607 . 3 1 1 A 51 51 MET N N 51 119.934 118.482 1.452 1
1 608 . 3 1 1 A 52 52 MET H H 52 8.926 8.156 0.770 1
1 609 . 3 1 1 A 52 52 MET HA H 52 3.874 4.141 -0.267 1
1 617 . 3 1 1 A 52 52 MET C C 52 177.228 178.750 -1.522 1
1 618 . 3 1 1 A 52 52 MET CA C 52 60.218 58.425 1.793 1
1 619 . 3 1 1 A 52 52 MET CB C 52 33.427 32.864 0.563 1
1 622 . 3 1 1 A 52 52 MET N N 52 120.686 118.603 2.083 1
1 623 . 3 1 1 A 53 53 GLU H H 53 8.111 8.278 -0.167 1
1 624 . 3 1 1 A 53 53 GLU HA H 53 3.863 4.041 -0.178 1
1 629 . 3 1 1 A 53 53 GLU C C 53 177.640 178.554 -0.914 1
1 630 . 3 1 1 A 53 53 GLU CA C 53 59.847 59.724 0.123 1
1 631 . 3 1 1 A 53 53 GLU CB C 53 29.778 29.380 0.398 1
1 633 . 3 1 1 A 53 53 GLU N N 53 119.207 119.083 0.124 1
1 634 . 3 1 1 A 54 54 GLU H H 54 7.030 7.736 -0.706 1
1 635 . 3 1 1 A 54 54 GLU HA H 54 4.014 4.244 -0.230 1
1 640 . 3 1 1 A 54 54 GLU C C 54 178.008 178.601 -0.593 1
1 641 . 3 1 1 A 54 54 GLU CA C 54 58.211 57.839 0.372 1
1 642 . 3 1 1 A 54 54 GLU CB C 54 30.149 30.003 0.146 1
1 644 . 3 1 1 A 54 54 GLU N N 54 115.049 118.857 -3.808 1
1 645 . 3 1 1 A 55 55 LYS H H 55 7.670 7.770 -0.100 1
1 646 . 3 1 1 A 55 55 LYS HA H 55 3.930 3.828 0.102 1
1 655 . 3 1 1 A 55 55 LYS C C 55 175.986 176.297 -0.311 1
1 656 . 3 1 1 A 55 55 LYS CA C 55 56.405 58.465 -2.060 1
1 657 . 3 1 1 A 55 55 LYS CB C 55 32.705 32.359 0.346 1
1 661 . 3 1 1 A 55 55 LYS N N 55 117.040 119.804 -2.764 1
1 662 . 3 1 1 A 56 56 PHE H H 56 8.079 8.151 -0.072 1
1 663 . 3 1 1 A 56 56 PHE HA H 56 5.215 5.072 0.143 1
1 671 . 3 1 1 A 56 56 PHE CA C 56 53.965 54.920 -0.955 1
1 672 . 3 1 1 A 56 56 PHE CB C 56 38.759 39.213 -0.454 1
1 678 . 3 1 1 A 56 56 PHE N N 56 117.341 116.199 1.142 1
1 679 . 3 1 1 A 57 57 PRO HA H 57 4.514 4.550 -0.036 1
1 686 . 3 1 1 A 57 57 PRO CA C 57 64.818 64.162 0.656 1
1 687 . 3 1 1 A 57 57 PRO CB C 57 32.192 31.870 0.322 1
1 690 . 3 1 1 A 58 58 ALA H H 58 8.619 8.265 0.354 1
1 691 . 3 1 1 A 58 58 ALA HA H 58 4.206 4.151 0.055 1
1 695 . 3 1 1 A 58 58 ALA CA C 58 55.406 55.168 0.238 1
1 696 . 3 1 1 A 58 58 ALA CB C 58 18.353 19.347 -0.994 1
1 697 . 3 1 1 A 58 58 ALA N N 58 120.173 121.229 -1.056 1
1 698 . 3 1 1 A 59 59 ASP H H 59 7.515 7.853 -0.338 1
1 699 . 3 1 1 A 59 59 ASP HA H 59 4.810 4.828 -0.018 1
1 702 . 3 1 1 A 59 59 ASP CA C 59 52.659 53.266 -0.607 1
1 703 . 3 1 1 A 59 59 ASP CB C 59 41.778 41.433 0.345 1
1 704 . 3 1 1 A 59 59 ASP N N 59 113.536 115.176 -1.640 1
1 705 . 3 1 1 A 60 60 SER H H 60 8.392 8.541 -0.149 1
1 706 . 3 1 1 A 60 60 SER HA H 60 4.176 4.632 -0.456 1
1 709 . 3 1 1 A 60 60 SER CA C 60 60.221 59.586 0.635 1
1 710 . 3 1 1 A 60 60 SER CB C 60 62.050 61.735 0.315 1
1 711 . 3 1 1 A 60 60 SER N N 60 113.717 113.123 0.594 1
1 712 . 3 1 1 A 61 61 GLY H H 61 8.299 8.385 -0.086 1
1 713 . 3 1 1 A 61 61 GLY HA2 H 61 4.005 3.813 0.192 1
1 714 . 3 1 1 A 61 61 GLY HA3 H 61 3.502 4.040 -0.538 1
1 715 . 3 1 1 A 61 61 GLY CA C 61 45.554 45.215 0.339 1
1 716 . 3 1 1 A 61 61 GLY N N 61 104.225 106.585 -2.360 1
1 717 . 3 1 1 A 62 62 LEU H H 62 7.927 8.301 -0.374 1
1 718 . 3 1 1 A 62 62 LEU HA H 62 3.915 4.009 -0.094 1
1 728 . 3 1 1 A 62 62 LEU CA C 62 58.075 57.916 0.159 1
1 729 . 3 1 1 A 62 62 LEU CB C 62 41.731 42.110 -0.379 1
1 733 . 3 1 1 A 62 62 LEU N N 62 122.094 122.814 -0.720 1
1 734 . 3 1 1 A 63 63 GLY H H 63 8.566 8.231 0.335 1
1 735 . 3 1 1 A 63 63 GLY HA2 H 63 3.847 3.629 0.218 1
1 736 . 3 1 1 A 63 63 GLY HA3 H 63 3.592 3.652 -0.060 1
1 737 . 3 1 1 A 63 63 GLY CA C 63 47.146 46.992 0.154 1
1 738 . 3 1 1 A 63 63 GLY N N 63 105.732 106.753 -1.021 1
1 739 . 3 1 1 A 64 64 LYS H H 64 7.509 8.078 -0.569 1
1 740 . 3 1 1 A 64 64 LYS HA H 64 4.115 3.964 0.151 1
1 749 . 3 1 1 A 64 64 LYS C C 64 179.856 178.920 0.936 1
1 750 . 3 1 1 A 64 64 LYS CA C 64 57.768 59.208 -1.440 1
1 751 . 3 1 1 A 64 64 LYS CB C 64 31.542 31.915 -0.373 1
1 755 . 3 1 1 A 64 64 LYS N N 64 120.697 121.924 -1.227 1
1 756 . 3 1 1 A 65 65 LEU H H 65 7.544 8.010 -0.466 1
1 757 . 3 1 1 A 65 65 LEU HA H 65 4.219 3.944 0.275 1
1 767 . 3 1 1 A 65 65 LEU C C 65 178.606 178.537 0.069 1
1 768 . 3 1 1 A 65 65 LEU CA C 65 57.675 58.053 -0.378 1
1 769 . 3 1 1 A 65 65 LEU CB C 65 41.040 41.587 -0.547 1
1 773 . 3 1 1 A 65 65 LEU N N 65 120.399 120.787 -0.388 1
1 774 . 3 1 1 A 66 66 ILE H H 66 8.605 7.776 0.829 1
1 775 . 3 1 1 A 66 66 ILE HA H 66 3.271 3.575 -0.304 1
1 785 . 3 1 1 A 66 66 ILE C C 66 176.721 177.851 -1.130 1
1 786 . 3 1 1 A 66 66 ILE CA C 66 67.612 65.660 1.952 1
1 787 . 3 1 1 A 66 66 ILE CB C 66 38.006 37.669 0.337 1
1 791 . 3 1 1 A 66 66 ILE N N 66 121.170 120.269 0.901 1
1 792 . 3 1 1 A 67 67 GLU H H 67 8.157 7.933 0.224 1
1 793 . 3 1 1 A 67 67 GLU HA H 67 4.007 3.989 0.018 1
1 798 . 3 1 1 A 67 67 GLU C C 67 178.848 179.219 -0.371 1
1 799 . 3 1 1 A 67 67 GLU CA C 67 59.476 59.628 -0.152 1
1 800 . 3 1 1 A 67 67 GLU CB C 67 30.055 29.525 0.530 1
1 802 . 3 1 1 A 67 67 GLU N N 67 118.066 119.270 -1.204 1
1 803 . 3 1 1 A 68 68 PHE H H 68 7.673 7.944 -0.271 1
1 804 . 3 1 1 A 68 68 PHE HA H 68 4.393 4.055 0.338 1
1 812 . 3 1 1 A 68 68 PHE C C 68 176.609 177.624 -1.015 1
1 813 . 3 1 1 A 68 68 PHE CA C 68 60.660 62.018 -1.358 1
1 814 . 3 1 1 A 68 68 PHE CB C 68 39.666 39.331 0.335 1
1 820 . 3 1 1 A 68 68 PHE N N 68 119.383 120.812 -1.429 1
1 821 . 3 1 1 A 69 69 CYS H H 69 8.137 7.909 0.228 1
1 822 . 3 1 1 A 69 69 CYS HA H 69 3.714 3.661 0.053 1
1 825 . 3 1 1 A 69 69 CYS C C 69 175.221 177.186 -1.965 1
1 826 . 3 1 1 A 69 69 CYS CA C 69 62.782 63.556 -0.774 1
1 827 . 3 1 1 A 69 69 CYS CB C 69 26.732 27.051 -0.319 1
1 828 . 3 1 1 A 69 69 CYS N N 69 115.218 116.268 -1.050 1
1 829 . 3 1 1 A 70 70 GLU H H 70 8.108 8.223 -0.115 1
1 830 . 3 1 1 A 70 70 GLU HA H 70 3.739 3.925 -0.186 1
1 835 . 3 1 1 A 70 70 GLU C C 70 178.404 179.384 -0.980 1
1 836 . 3 1 1 A 70 70 GLU CA C 70 58.839 59.443 -0.604 1
1 837 . 3 1 1 A 70 70 GLU CB C 70 30.149 29.338 0.811 1
1 839 . 3 1 1 A 70 70 GLU N N 70 113.937 120.362 -6.425 1
1 840 . 3 1 1 A 71 71 GLU H H 71 7.306 7.769 -0.463 1
1 841 . 3 1 1 A 71 71 GLU HA H 71 4.148 4.027 0.121 1
1 846 . 3 1 1 A 71 71 GLU C C 71 176.363 177.595 -1.232 1
1 847 . 3 1 1 A 71 71 GLU CA C 71 56.943 59.393 -2.450 1
1 848 . 3 1 1 A 71 71 GLU CB C 71 30.374 29.295 1.079 1
1 850 . 3 1 1 A 71 71 GLU N N 71 117.591 119.953 -2.362 1
1 851 . 3 1 1 A 72 72 VAL H H 72 7.055 7.452 -0.397 1
1 852 . 3 1 1 A 72 72 VAL HA H 72 4.220 4.096 0.124 1
1 860 . 3 1 1 A 72 72 VAL C C 72 174.906 175.778 -0.872 1
1 861 . 3 1 1 A 72 72 VAL CA C 72 59.360 60.073 -0.713 1
1 862 . 3 1 1 A 72 72 VAL CB C 72 33.462 31.750 1.712 1
1 865 . 3 1 1 A 72 72 VAL N N 72 122.531 120.447 2.084 1
1 866 . 3 1 1 A 73 73 PRO HA H 73 3.887 4.440 -0.553 1
1 873 . 3 1 1 A 73 73 PRO C C 73 179.162 177.464 1.698 1
1 874 . 3 1 1 A 73 73 PRO CA C 73 66.658 64.425 2.233 1
1 875 . 3 1 1 A 73 73 PRO CB C 73 31.819 31.866 -0.047 1
1 878 . 3 1 1 A 74 74 ALA H H 74 8.188 8.216 -0.028 1
1 879 . 3 1 1 A 74 74 ALA HA H 74 4.217 4.230 -0.013 1
1 883 . 3 1 1 A 74 74 ALA C C 74 178.535 177.936 0.599 1
1 884 . 3 1 1 A 74 74 ALA CA C 74 54.149 53.533 0.616 1
1 885 . 3 1 1 A 74 74 ALA CB C 74 19.305 18.775 0.530 1
1 886 . 3 1 1 A 74 74 ALA N N 74 116.317 119.739 -3.422 1
1 887 . 3 1 1 A 75 75 LEU H H 75 8.188 7.341 0.847 1
1 888 . 3 1 1 A 75 75 LEU HA H 75 4.607 4.207 0.400 1
1 898 . 3 1 1 A 75 75 LEU C C 75 177.094 177.735 -0.641 1
1 899 . 3 1 1 A 75 75 LEU CA C 75 53.645 54.454 -0.809 1
1 900 . 3 1 1 A 75 75 LEU CB C 75 42.633 42.925 -0.292 1
1 904 . 3 1 1 A 75 75 LEU N N 75 116.296 115.591 0.705 1
1 905 . 3 1 1 A 76 76 ARG H H 76 7.332 8.030 -0.698 1
1 906 . 3 1 1 A 76 76 ARG HA H 76 3.789 3.858 -0.069 1
1 913 . 3 1 1 A 76 76 ARG C C 76 179.457 178.734 0.723 1
1 914 . 3 1 1 A 76 76 ARG CA C 76 60.815 60.064 0.751 1
1 915 . 3 1 1 A 76 76 ARG CB C 76 29.535 29.918 -0.383 1
1 918 . 3 1 1 A 76 76 ARG N N 76 122.654 119.874 2.780 1
1 919 . 3 1 1 A 77 77 LYS H H 77 8.489 8.021 0.468 1
1 920 . 3 1 1 A 77 77 LYS HA H 77 4.118 4.121 -0.003 1
1 929 . 3 1 1 A 77 77 LYS C C 77 179.135 179.157 -0.022 1
1 930 . 3 1 1 A 77 77 LYS CA C 77 58.963 59.315 -0.352 1
1 931 . 3 1 1 A 77 77 LYS CB C 77 31.113 32.143 -1.030 1
1 935 . 3 1 1 A 77 77 LYS N N 77 119.343 119.727 -0.384 1
1 936 . 3 1 1 A 78 78 ARG H H 78 7.626 8.282 -0.656 1
1 937 . 3 1 1 A 78 78 ARG HA H 78 3.931 4.019 -0.088 1
1 944 . 3 1 1 A 78 78 ARG C C 78 178.200 179.164 -0.964 1
1 945 . 3 1 1 A 78 78 ARG CA C 78 56.415 58.968 -2.553 1
1 946 . 3 1 1 A 78 78 ARG CB C 78 27.010 29.714 -2.704 1
1 949 . 3 1 1 A 78 78 ARG N N 78 120.202 119.342 0.860 1
1 950 . 3 1 1 A 79 79 ALA H H 79 8.138 7.887 0.251 1
1 951 . 3 1 1 A 79 79 ALA HA H 79 3.837 4.034 -0.197 1
1 955 . 3 1 1 A 79 79 ALA C C 79 178.684 179.838 -1.154 1
1 956 . 3 1 1 A 79 79 ALA CA C 79 55.692 55.158 0.534 1
1 957 . 3 1 1 A 79 79 ALA CB C 79 18.376 18.498 -0.122 1
1 958 . 3 1 1 A 79 79 ALA N N 79 120.388 122.132 -1.744 1
1 959 . 3 1 1 A 80 80 GLU H H 80 7.437 8.001 -0.564 1
1 960 . 3 1 1 A 80 80 GLU HA H 80 3.877 4.061 -0.184 1
1 965 . 3 1 1 A 80 80 GLU C C 80 179.640 178.915 0.725 1
1 966 . 3 1 1 A 80 80 GLU CA C 80 59.370 59.131 0.239 1
1 967 . 3 1 1 A 80 80 GLU CB C 80 29.445 29.378 0.067 1
1 969 . 3 1 1 A 80 80 GLU N N 80 115.384 116.562 -1.178 1
1 970 . 3 1 1 A 81 81 ILE H H 81 7.721 7.597 0.124 1
1 971 . 3 1 1 A 81 81 ILE HA H 81 3.675 3.654 0.021 1
1 981 . 3 1 1 A 81 81 ILE C C 81 178.179 178.805 -0.626 1
1 982 . 3 1 1 A 81 81 ILE CA C 81 65.187 65.462 -0.275 1
1 983 . 3 1 1 A 81 81 ILE CB C 81 38.471 37.998 0.473 1
1 987 . 3 1 1 A 81 81 ILE N N 81 121.563 121.475 0.088 1
1 988 . 3 1 1 A 82 82 LEU H H 82 8.374 7.973 0.401 1
1 989 . 3 1 1 A 82 82 LEU HA H 82 3.930 3.809 0.121 1
1 999 . 3 1 1 A 82 82 LEU C C 82 179.279 178.812 0.467 1
1 1000 . 3 1 1 A 82 82 LEU CA C 82 58.038 58.254 -0.216 1
1 1001 . 3 1 1 A 82 82 LEU CB C 82 42.869 41.712 1.157 1
1 1005 . 3 1 1 A 82 82 LEU N N 82 119.839 119.889 -0.050 1
1 1006 . 3 1 1 A 83 83 LYS H H 83 8.153 8.217 -0.064 1
1 1007 . 3 1 1 A 83 83 LYS HA H 83 3.740 3.942 -0.202 1
1 1016 . 3 1 1 A 83 83 LYS C C 83 179.548 179.093 0.455 1
1 1017 . 3 1 1 A 83 83 LYS CA C 83 60.433 60.352 0.081 1
1 1018 . 3 1 1 A 83 83 LYS CB C 83 32.703 32.370 0.333 1
1 1022 . 3 1 1 A 83 83 LYS N N 83 117.092 116.946 0.146 1
1 1023 . 3 1 1 A 84 84 LYS H H 84 7.705 7.791 -0.086 1
1 1024 . 3 1 1 A 84 84 LYS HA H 84 4.101 3.940 0.161 1
1 1033 . 3 1 1 A 84 84 LYS C C 84 179.082 179.095 -0.013 1
1 1034 . 3 1 1 A 84 84 LYS CA C 84 59.120 59.815 -0.695 1
1 1035 . 3 1 1 A 84 84 LYS CB C 84 32.291 32.446 -0.155 1
1 1039 . 3 1 1 A 84 84 LYS N N 84 121.473 120.240 1.233 1
1 1040 . 3 1 1 A 85 85 GLU H H 85 8.567 8.262 0.305 1
1 1041 . 3 1 1 A 85 85 GLU HA H 85 4.013 4.115 -0.102 1
1 1046 . 3 1 1 A 85 85 GLU CA C 85 59.360 59.304 0.056 1
1 1047 . 3 1 1 A 85 85 GLU CB C 85 30.033 29.436 0.597 1
1 1049 . 3 1 1 A 85 85 GLU N N 85 119.645 119.088 0.557 1
1 1050 . 3 1 1 A 86 86 ARG H H 86 8.467 7.998 0.469 1
1 1051 . 3 1 1 A 86 86 ARG HA H 86 4.030 4.049 -0.019 1
1 1058 . 3 1 1 A 86 86 ARG C C 86 177.790 176.935 0.855 1
1 1059 . 3 1 1 A 86 86 ARG CA C 86 58.556 59.168 -0.612 1
1 1060 . 3 1 1 A 86 86 ARG CB C 86 30.377 30.081 0.296 1
1 1063 . 3 1 1 A 86 86 ARG N N 86 119.408 121.856 -2.448 1
1 1064 . 3 1 1 A 87 87 SER H H 87 7.851 7.560 0.291 1
1 1065 . 3 1 1 A 87 87 SER HA H 87 4.369 4.466 -0.097 1
1 1068 . 3 1 1 A 87 87 SER C C 87 175.282 173.587 1.695 1
1 1069 . 3 1 1 A 87 87 SER CA C 87 60.271 58.473 1.798 1
1 1070 . 3 1 1 A 87 87 SER CB C 87 63.601 64.174 -0.573 1
1 1071 . 3 1 1 A 87 87 SER N N 87 115.071 115.222 -0.151 1
1 1072 . 3 1 1 A 88 88 GLU H H 88 7.891 8.713 -0.822 1
1 1073 . 3 1 1 A 88 88 GLU HA H 88 4.316 4.829 -0.513 1
1 1078 . 3 1 1 A 88 88 GLU C C 88 176.801 175.952 0.849 1
1 1079 . 3 1 1 A 88 88 GLU CA C 88 57.036 55.433 1.603 1
1 1080 . 3 1 1 A 88 88 GLU CB C 88 30.024 30.001 0.023 1
1 1082 . 3 1 1 A 88 88 GLU N N 88 121.067 125.472 -4.405 1
1 1083 . 3 1 1 A 89 89 SER H H 89 7.934 8.775 -0.841 1
1 1084 . 3 1 1 A 89 89 SER HA H 89 4.503 3.969 0.534 1
1 1087 . 3 1 1 A 89 89 SER C C 89 174.624 173.739 0.885 1
1 1088 . 3 1 1 A 89 89 SER CA C 89 58.875 59.240 -0.365 1
1 1089 . 3 1 1 A 89 89 SER CB C 89 64.040 61.958 2.082 1
1 1090 . 3 1 1 A 89 89 SER N N 89 115.241 113.866 1.375 1
1 1091 . 3 1 1 A 90 90 GLY H H 90 8.062 8.155 -0.093 1
1 1092 . 3 1 1 A 90 90 GLY HA2 H 90 4.210 3.951 0.259 1
1 1093 . 3 1 1 A 90 90 GLY HA3 H 90 4.083 3.951 0.132 1
1 1094 . 3 1 1 A 90 90 GLY C C 90 171.774 173.250 -1.476 1
1 1095 . 3 1 1 A 90 90 GLY CA C 90 44.872 44.753 0.119 1
1 1096 . 3 1 1 A 90 90 GLY N N 90 110.384 108.549 1.835 1
1 1097 . 3 1 1 A 91 91 PRO HA H 91 4.495 4.466 0.029 1
1 1104 . 3 1 1 A 91 91 PRO C C 91 177.475 177.393 0.082 1
1 1105 . 3 1 1 A 91 91 PRO CA C 91 63.295 63.200 0.095 1
1 1106 . 3 1 1 A 91 91 PRO CB C 91 32.234 30.999 1.235 1
1 1109 . 3 1 1 A 92 92 SER H H 92 8.557 8.813 -0.256 1
1 1110 . 3 1 1 A 92 92 SER HA H 92 4.575 4.071 0.504 1
1 1113 . 3 1 1 A 92 92 SER C C 92 174.736 175.151 -0.415 1
1 1114 . 3 1 1 A 92 92 SER CA C 92 58.380 59.213 -0.833 1
1 1115 . 3 1 1 A 92 92 SER CB C 92 64.221 61.380 2.841 1
1 1 . 4 1 1 A 6 6 SER H H 6 8.063 7.801 0.262 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.493 4.385 0.108 1
1 5 . 4 1 1 A 6 6 SER CA C 6 59.071 59.893 -0.822 1
1 6 . 4 1 1 A 6 6 SER CB C 6 63.626 63.651 -0.025 1
1 7 . 4 1 1 A 7 7 GLY H H 7 8.424 8.189 0.235 1
1 8 . 4 1 1 A 7 7 GLY HA2 H 7 3.985 3.958 0.027 1
1 9 . 4 1 1 A 7 7 GLY HA3 H 7 3.834 3.959 -0.125 1
1 10 . 4 1 1 A 7 7 GLY CA C 7 47.092 45.380 1.712 1
1 11 . 4 1 1 A 7 7 GLY N N 7 109.548 109.451 0.097 1
1 12 . 4 1 1 A 8 8 ILE H H 8 7.565 7.847 -0.282 1
1 13 . 4 1 1 A 8 8 ILE HA H 8 3.883 4.053 -0.170 1
1 23 . 4 1 1 A 8 8 ILE CA C 8 63.805 62.265 1.540 1
1 24 . 4 1 1 A 8 8 ILE CB C 8 37.866 38.046 -0.180 1
1 28 . 4 1 1 A 8 8 ILE N N 8 123.348 122.218 1.130 1
1 29 . 4 1 1 A 9 9 VAL H H 9 7.538 8.152 -0.614 1
1 30 . 4 1 1 A 9 9 VAL HA H 9 3.471 4.796 -1.325 1
1 38 . 4 1 1 A 9 9 VAL CA C 9 66.382 59.489 6.893 1
1 39 . 4 1 1 A 9 9 VAL CB C 9 31.755 34.001 -2.246 1
1 42 . 4 1 1 A 9 9 VAL N N 9 121.471 126.124 -4.653 1
1 43 . 4 1 1 A 10 10 LEU H H 10 7.941 8.872 -0.931 1
1 44 . 4 1 1 A 10 10 LEU HA H 10 3.848 3.897 -0.049 1
1 54 . 4 1 1 A 10 10 LEU CA C 10 58.619 57.858 0.761 1
1 55 . 4 1 1 A 10 10 LEU CB C 10 41.377 41.573 -0.196 1
1 59 . 4 1 1 A 10 10 LEU N N 10 119.521 129.822 -10.301 1
1 60 . 4 1 1 A 11 11 LEU H H 11 8.207 8.227 -0.020 1
1 61 . 4 1 1 A 11 11 LEU HA H 11 3.792 4.097 -0.305 1
1 71 . 4 1 1 A 11 11 LEU CA C 11 58.241 58.178 0.063 1
1 72 . 4 1 1 A 11 11 LEU CB C 11 41.790 41.661 0.129 1
1 76 . 4 1 1 A 11 11 LEU N N 11 119.938 120.189 -0.251 1
1 77 . 4 1 1 A 12 12 ARG H H 12 7.904 8.540 -0.636 1
1 78 . 4 1 1 A 12 12 ARG HA H 12 3.966 3.958 0.008 1
1 85 . 4 1 1 A 12 12 ARG CA C 12 59.301 59.839 -0.538 1
1 86 . 4 1 1 A 12 12 ARG CB C 12 30.132 30.084 0.048 1
1 89 . 4 1 1 A 12 12 ARG N N 12 116.799 119.552 -2.753 1
1 90 . 4 1 1 A 13 13 GLY H H 13 8.190 8.657 -0.467 1
1 91 . 4 1 1 A 13 13 GLY HA2 H 13 3.740 3.712 0.028 1
1 92 . 4 1 1 A 13 13 GLY HA3 H 13 3.437 3.719 -0.282 1
1 93 . 4 1 1 A 13 13 GLY CA C 13 47.988 47.190 0.798 1
1 94 . 4 1 1 A 13 13 GLY N N 13 107.618 106.789 0.829 1
1 95 . 4 1 1 A 14 14 LEU H H 14 8.515 8.378 0.137 1
1 96 . 4 1 1 A 14 14 LEU HA H 14 3.785 3.838 -0.053 1
1 106 . 4 1 1 A 14 14 LEU C C 14 178.232 178.570 -0.338 1
1 107 . 4 1 1 A 14 14 LEU CA C 14 57.401 57.854 -0.453 1
1 108 . 4 1 1 A 14 14 LEU CB C 14 41.981 41.548 0.433 1
1 112 . 4 1 1 A 14 14 LEU N N 14 120.161 122.500 -2.339 1
1 113 . 4 1 1 A 15 15 GLU H H 15 7.931 8.176 -0.245 1
1 114 . 4 1 1 A 15 15 GLU HA H 15 4.030 3.831 0.199 1
1 119 . 4 1 1 A 15 15 GLU CA C 15 57.961 59.715 -1.754 1
1 120 . 4 1 1 A 15 15 GLU CB C 15 30.140 29.163 0.977 1
1 122 . 4 1 1 A 15 15 GLU N N 15 114.703 117.001 -2.298 1
1 123 . 4 1 1 A 16 16 CYS H H 16 7.612 8.141 -0.529 1
1 124 . 4 1 1 A 16 16 CYS HA H 16 4.457 4.107 0.350 1
1 127 . 4 1 1 A 16 16 CYS CA C 16 60.982 62.521 -1.539 1
1 128 . 4 1 1 A 16 16 CYS CB C 16 27.917 27.337 0.580 1
1 129 . 4 1 1 A 16 16 CYS N N 16 114.695 118.990 -4.295 1
1 130 . 4 1 1 A 17 17 ILE H H 17 7.142 7.444 -0.302 1
1 131 . 4 1 1 A 17 17 ILE HA H 17 4.533 4.304 0.229 1
1 141 . 4 1 1 A 17 17 ILE CA C 17 61.521 60.951 0.570 1
1 142 . 4 1 1 A 17 17 ILE CB C 17 39.206 38.745 0.461 1
1 146 . 4 1 1 A 17 17 ILE N N 17 115.031 115.933 -0.902 1
1 147 . 4 1 1 A 18 18 ASN H H 18 8.325 8.891 -0.566 1
1 148 . 4 1 1 A 18 18 ASN HA H 18 4.575 4.834 -0.259 1
1 153 . 4 1 1 A 18 18 ASN C C 18 175.171 175.823 -0.652 1
1 154 . 4 1 1 A 18 18 ASN CA C 18 53.278 53.243 0.035 1
1 155 . 4 1 1 A 18 18 ASN CB C 18 38.419 39.593 -1.174 1
1 156 . 4 1 1 A 18 18 ASN N N 18 119.943 121.355 -1.412 1
1 158 . 4 1 1 A 19 19 LYS H H 19 8.514 9.087 -0.573 1
1 159 . 4 1 1 A 19 19 LYS HA H 19 4.242 4.085 0.157 1
1 168 . 4 1 1 A 19 19 LYS C C 19 178.868 178.398 0.470 1
1 169 . 4 1 1 A 19 19 LYS CA C 19 60.006 60.548 -0.542 1
1 170 . 4 1 1 A 19 19 LYS CB C 19 32.291 32.325 -0.034 1
1 174 . 4 1 1 A 19 19 LYS N N 19 118.191 121.628 -3.437 1
1 175 . 4 1 1 A 20 20 HIS H H 20 8.328 8.144 0.184 1
1 176 . 4 1 1 A 20 20 HIS HA H 20 4.371 4.200 0.171 1
1 181 . 4 1 1 A 20 20 HIS C C 20 178.335 176.915 1.420 1
1 182 . 4 1 1 A 20 20 HIS CA C 20 59.785 59.657 0.128 1
1 183 . 4 1 1 A 20 20 HIS CB C 20 29.879 30.043 -0.164 1
1 186 . 4 1 1 A 20 20 HIS N N 20 120.900 119.686 1.214 1
1 187 . 4 1 1 A 21 21 TYR H H 21 8.464 7.656 0.808 1
1 188 . 4 1 1 A 21 21 TYR HA H 21 4.540 4.026 0.514 1
1 195 . 4 1 1 A 21 21 TYR C C 21 178.222 178.515 -0.293 1
1 196 . 4 1 1 A 21 21 TYR CA C 21 61.863 61.496 0.367 1
1 197 . 4 1 1 A 21 21 TYR CB C 21 38.012 38.207 -0.195 1
1 202 . 4 1 1 A 21 21 TYR N N 21 118.132 117.117 1.015 1
1 203 . 4 1 1 A 22 22 PHE H H 22 9.095 8.487 0.608 1
1 204 . 4 1 1 A 22 22 PHE HA H 22 4.616 4.089 0.527 1
1 212 . 4 1 1 A 22 22 PHE C C 22 177.409 177.138 0.271 1
1 213 . 4 1 1 A 22 22 PHE CA C 22 59.761 61.752 -1.991 1
1 214 . 4 1 1 A 22 22 PHE CB C 22 38.982 39.267 -0.285 1
1 220 . 4 1 1 A 22 22 PHE N N 22 121.771 120.997 0.774 1
1 221 . 4 1 1 A 23 23 SER H H 23 8.400 8.533 -0.133 1
1 222 . 4 1 1 A 23 23 SER HA H 23 3.785 3.873 -0.088 1
1 225 . 4 1 1 A 23 23 SER C C 23 177.318 177.074 0.244 1
1 226 . 4 1 1 A 23 23 SER CA C 23 62.453 61.559 0.894 1
1 227 . 4 1 1 A 23 23 SER CB C 23 62.279 63.079 -0.800 1
1 228 . 4 1 1 A 23 23 SER N N 23 115.511 113.690 1.821 1
1 229 . 4 1 1 A 24 24 LEU H H 24 7.737 8.444 -0.707 1
1 230 . 4 1 1 A 24 24 LEU HA H 24 4.118 4.029 0.089 1
1 240 . 4 1 1 A 24 24 LEU C C 24 178.956 179.047 -0.091 1
1 241 . 4 1 1 A 24 24 LEU CA C 24 57.992 57.574 0.418 1
1 242 . 4 1 1 A 24 24 LEU CB C 24 42.066 42.005 0.061 1
1 246 . 4 1 1 A 24 24 LEU N N 24 123.378 122.247 1.131 1
1 247 . 4 1 1 A 25 25 PHE H H 25 8.643 8.207 0.436 1
1 248 . 4 1 1 A 25 25 PHE HA H 25 3.475 3.195 0.280 1
1 256 . 4 1 1 A 25 25 PHE C C 25 176.905 177.000 -0.095 1
1 257 . 4 1 1 A 25 25 PHE CA C 25 61.196 61.442 -0.246 1
1 258 . 4 1 1 A 25 25 PHE CB C 25 38.741 38.872 -0.131 1
1 264 . 4 1 1 A 25 25 PHE N N 25 122.640 119.187 3.453 1
1 265 . 4 1 1 A 26 26 LYS H H 26 8.022 7.699 0.323 1
1 266 . 4 1 1 A 26 26 LYS HA H 26 3.197 3.568 -0.371 1
1 275 . 4 1 1 A 26 26 LYS C C 26 177.424 178.987 -1.563 1
1 276 . 4 1 1 A 26 26 LYS CA C 26 61.439 59.517 1.922 1
1 277 . 4 1 1 A 26 26 LYS CB C 26 32.363 31.714 0.649 1
1 281 . 4 1 1 A 26 26 LYS N N 26 116.023 117.900 -1.877 1
1 282 . 4 1 1 A 27 27 SER H H 27 7.473 7.169 0.304 1
1 283 . 4 1 1 A 27 27 SER HA H 27 4.134 4.177 -0.043 1
1 286 . 4 1 1 A 27 27 SER C C 27 177.449 177.433 0.016 1
1 287 . 4 1 1 A 27 27 SER CA C 27 61.544 61.024 0.520 1
1 288 . 4 1 1 A 27 27 SER CB C 27 62.828 62.800 0.028 1
1 289 . 4 1 1 A 27 27 SER N N 27 111.668 114.935 -3.267 1
1 290 . 4 1 1 A 28 28 LEU H H 28 7.625 7.783 -0.158 1
1 291 . 4 1 1 A 28 28 LEU HA H 28 4.117 3.973 0.144 1
1 301 . 4 1 1 A 28 28 LEU C C 28 179.076 178.931 0.145 1
1 302 . 4 1 1 A 28 28 LEU CA C 28 57.336 57.422 -0.086 1
1 303 . 4 1 1 A 28 28 LEU CB C 28 41.585 41.608 -0.023 1
1 307 . 4 1 1 A 28 28 LEU N N 28 123.121 121.432 1.689 1
1 308 . 4 1 1 A 29 29 LEU H H 29 7.391 7.246 0.145 1
1 309 . 4 1 1 A 29 29 LEU HA H 29 4.276 4.075 0.201 1
1 319 . 4 1 1 A 29 29 LEU C C 29 177.606 178.005 -0.399 1
1 320 . 4 1 1 A 29 29 LEU CA C 29 54.243 56.150 -1.907 1
1 321 . 4 1 1 A 29 29 LEU CB C 29 41.665 42.198 -0.533 1
1 325 . 4 1 1 A 29 29 LEU N N 29 119.910 119.232 0.678 1
1 326 . 4 1 1 A 30 30 ALA H H 30 7.242 8.632 -1.390 1
1 327 . 4 1 1 A 30 30 ALA HA H 30 3.505 3.920 -0.415 1
1 331 . 4 1 1 A 30 30 ALA C C 30 179.568 179.496 0.072 1
1 332 . 4 1 1 A 30 30 ALA CA C 30 56.470 55.472 0.998 1
1 333 . 4 1 1 A 30 30 ALA CB C 30 18.818 18.683 0.135 1
1 334 . 4 1 1 A 30 30 ALA N N 30 122.470 121.427 1.043 1
1 335 . 4 1 1 A 31 31 ARG H H 31 8.256 7.831 0.425 1
1 336 . 4 1 1 A 31 31 ARG HA H 31 4.142 4.077 0.065 1
1 343 . 4 1 1 A 31 31 ARG C C 31 179.303 178.401 0.902 1
1 344 . 4 1 1 A 31 31 ARG CA C 31 58.917 58.918 -0.001 1
1 345 . 4 1 1 A 31 31 ARG CB C 31 29.407 30.122 -0.715 1
1 348 . 4 1 1 A 31 31 ARG N N 31 116.240 117.223 -0.983 1
1 349 . 4 1 1 A 32 32 ASP H H 32 8.205 8.197 0.008 1
1 350 . 4 1 1 A 32 32 ASP HA H 32 4.334 4.332 0.002 1
1 353 . 4 1 1 A 32 32 ASP C C 32 177.470 178.564 -1.094 1
1 354 . 4 1 1 A 32 32 ASP CA C 32 57.336 56.961 0.375 1
1 355 . 4 1 1 A 32 32 ASP CB C 32 41.582 40.863 0.719 1
1 356 . 4 1 1 A 32 32 ASP N N 32 120.398 120.139 0.259 1
1 357 . 4 1 1 A 33 33 LEU H H 33 7.933 8.234 -0.301 1
1 358 . 4 1 1 A 33 33 LEU HA H 33 4.206 4.161 0.045 1
1 368 . 4 1 1 A 33 33 LEU C C 33 175.261 175.981 -0.720 1
1 369 . 4 1 1 A 33 33 LEU CA C 33 53.700 54.979 -1.279 1
1 370 . 4 1 1 A 33 33 LEU CB C 33 41.306 41.992 -0.686 1
1 374 . 4 1 1 A 33 33 LEU N N 33 113.338 117.447 -4.109 1
1 375 . 4 1 1 A 34 34 ASN H H 34 7.688 8.013 -0.325 1
1 376 . 4 1 1 A 34 34 ASN HA H 34 4.307 4.652 -0.345 1
1 381 . 4 1 1 A 34 34 ASN C C 34 175.092 174.652 0.440 1
1 382 . 4 1 1 A 34 34 ASN CA C 34 53.960 54.296 -0.336 1
1 383 . 4 1 1 A 34 34 ASN CB C 34 37.073 36.831 0.242 1
1 384 . 4 1 1 A 34 34 ASN N N 34 116.912 115.578 1.334 1
1 386 . 4 1 1 A 35 35 LEU H H 35 8.177 7.984 0.193 1
1 387 . 4 1 1 A 35 35 LEU HA H 35 4.008 4.299 -0.291 1
1 397 . 4 1 1 A 35 35 LEU C C 35 177.637 177.019 0.618 1
1 398 . 4 1 1 A 35 35 LEU CA C 35 54.233 54.920 -0.687 1
1 399 . 4 1 1 A 35 35 LEU CB C 35 41.024 42.484 -1.460 1
1 403 . 4 1 1 A 35 35 LEU N N 35 115.363 118.897 -3.534 1
1 404 . 4 1 1 A 36 36 GLU H H 36 8.419 8.943 -0.524 1
1 405 . 4 1 1 A 36 36 GLU HA H 36 4.175 4.439 -0.264 1
1 410 . 4 1 1 A 36 36 GLU C C 36 177.626 178.034 -0.408 1
1 411 . 4 1 1 A 36 36 GLU CA C 36 56.872 56.409 0.463 1
1 412 . 4 1 1 A 36 36 GLU CB C 36 29.675 31.030 -1.355 1
1 414 . 4 1 1 A 36 36 GLU N N 36 122.591 120.462 2.129 1
1 415 . 4 1 1 A 37 37 ARG H H 37 8.577 8.840 -0.263 1
1 416 . 4 1 1 A 37 37 ARG HA H 37 3.889 4.081 -0.192 1
1 423 . 4 1 1 A 37 37 ARG C C 37 178.119 176.646 1.473 1
1 424 . 4 1 1 A 37 37 ARG CA C 37 58.924 58.766 0.158 1
1 425 . 4 1 1 A 37 37 ARG CB C 37 30.074 30.180 -0.106 1
1 428 . 4 1 1 A 37 37 ARG N N 37 124.790 121.645 3.145 1
1 429 . 4 1 1 A 38 38 ASP H H 38 8.623 8.019 0.604 1
1 430 . 4 1 1 A 38 38 ASP HA H 38 4.591 4.729 -0.138 1
1 433 . 4 1 1 A 38 38 ASP C C 38 176.021 177.073 -1.052 1
1 434 . 4 1 1 A 38 38 ASP CA C 38 55.073 55.057 0.016 1
1 435 . 4 1 1 A 38 38 ASP CB C 38 40.722 43.212 -2.490 1
1 436 . 4 1 1 A 38 38 ASP N N 38 116.313 118.115 -1.802 1
1 437 . 4 1 1 A 39 39 ASN H H 39 7.668 7.832 -0.164 1
1 438 . 4 1 1 A 39 39 ASN HA H 39 4.936 4.925 0.011 1
1 443 . 4 1 1 A 39 39 ASN C C 39 175.702 175.220 0.482 1
1 444 . 4 1 1 A 39 39 ASN CA C 39 52.626 52.838 -0.212 1
1 445 . 4 1 1 A 39 39 ASN CB C 39 38.966 37.377 1.589 1
1 446 . 4 1 1 A 39 39 ASN N N 39 116.330 116.860 -0.530 1
1 448 . 4 1 1 A 40 40 GLN H H 40 8.324 8.065 0.259 1
1 449 . 4 1 1 A 40 40 GLN HA H 40 4.285 4.388 -0.103 1
1 456 . 4 1 1 A 40 40 GLN C C 40 178.897 178.599 0.298 1
1 457 . 4 1 1 A 40 40 GLN CA C 40 58.513 57.975 0.538 1
1 458 . 4 1 1 A 40 40 GLN CB C 40 29.225 29.235 -0.010 1
1 460 . 4 1 1 A 40 40 GLN N N 40 119.556 119.630 -0.074 1
1 462 . 4 1 1 A 41 41 GLU H H 41 8.956 8.342 0.614 1
1 463 . 4 1 1 A 41 41 GLU HA H 41 3.950 4.079 -0.129 1
1 468 . 4 1 1 A 41 41 GLU C C 41 176.712 178.558 -1.846 1
1 469 . 4 1 1 A 41 41 GLU CA C 41 58.716 59.502 -0.786 1
1 470 . 4 1 1 A 41 41 GLU CB C 41 29.124 29.259 -0.135 1
1 472 . 4 1 1 A 41 41 GLU N N 41 121.919 118.787 3.132 1
1 473 . 4 1 1 A 42 42 GLN H H 42 7.634 8.198 -0.564 1
1 474 . 4 1 1 A 42 42 GLN HA H 42 4.052 4.133 -0.081 1
1 481 . 4 1 1 A 42 42 GLN C C 42 176.286 176.225 0.061 1
1 482 . 4 1 1 A 42 42 GLN CA C 42 56.859 58.098 -1.239 1
1 483 . 4 1 1 A 42 42 GLN CB C 42 28.418 27.998 0.420 1
1 485 . 4 1 1 A 42 42 GLN N N 42 114.515 117.760 -3.245 1
1 487 . 4 1 1 A 43 43 TYR H H 43 6.692 7.810 -1.118 1
1 488 . 4 1 1 A 43 43 TYR HA H 43 4.866 4.655 0.211 1
1 495 . 4 1 1 A 43 43 TYR C C 43 177.063 175.448 1.615 1
1 496 . 4 1 1 A 43 43 TYR CA C 43 58.627 58.489 0.138 1
1 497 . 4 1 1 A 43 43 TYR CB C 43 39.628 39.185 0.443 1
1 502 . 4 1 1 A 43 43 TYR N N 43 116.167 120.023 -3.856 1
1 503 . 4 1 1 A 44 44 THR H H 44 8.785 8.803 -0.018 1
1 504 . 4 1 1 A 44 44 THR HA H 44 4.800 5.342 -0.542 1
1 509 . 4 1 1 A 44 44 THR C C 44 176.061 175.698 0.363 1
1 510 . 4 1 1 A 44 44 THR CA C 44 60.519 59.642 0.877 1
1 511 . 4 1 1 A 44 44 THR CB C 44 71.926 72.343 -0.417 1
1 513 . 4 1 1 A 44 44 THR N N 44 116.779 111.315 5.464 1
1 514 . 4 1 1 A 45 45 THR H H 45 8.849 8.827 0.022 1
1 515 . 4 1 1 A 45 45 THR HA H 45 3.626 3.904 -0.278 1
1 520 . 4 1 1 A 45 45 THR C C 45 176.458 176.333 0.125 1
1 521 . 4 1 1 A 45 45 THR CA C 45 65.716 66.128 -0.412 1
1 522 . 4 1 1 A 45 45 THR CB C 45 67.141 68.075 -0.934 1
1 524 . 4 1 1 A 45 45 THR N N 45 112.579 115.387 -2.808 1
1 525 . 4 1 1 A 46 46 ILE H H 46 7.144 7.941 -0.797 1
1 526 . 4 1 1 A 46 46 ILE HA H 46 3.803 3.585 0.218 1
1 536 . 4 1 1 A 46 46 ILE C C 46 177.573 177.767 -0.194 1
1 537 . 4 1 1 A 46 46 ILE CA C 46 64.078 65.399 -1.321 1
1 538 . 4 1 1 A 46 46 ILE CB C 46 38.733 37.610 1.123 1
1 542 . 4 1 1 A 46 46 ILE N N 46 119.409 123.779 -4.370 1
1 543 . 4 1 1 A 47 47 GLN H H 47 7.552 7.898 -0.346 1
1 544 . 4 1 1 A 47 47 GLN HA H 47 4.124 4.069 0.055 1
1 551 . 4 1 1 A 47 47 GLN C C 47 179.640 178.967 0.673 1
1 552 . 4 1 1 A 47 47 GLN CA C 47 59.282 58.941 0.341 1
1 553 . 4 1 1 A 47 47 GLN CB C 47 29.242 28.355 0.887 1
1 555 . 4 1 1 A 47 47 GLN N N 47 119.564 118.789 0.775 1
1 557 . 4 1 1 A 48 48 ILE H H 48 8.520 8.392 0.128 1
1 558 . 4 1 1 A 48 48 ILE HA H 48 3.861 3.759 0.102 1
1 568 . 4 1 1 A 48 48 ILE C C 48 177.779 178.094 -0.315 1
1 569 . 4 1 1 A 48 48 ILE CA C 48 61.208 65.416 -4.208 1
1 570 . 4 1 1 A 48 48 ILE CB C 48 34.654 38.102 -3.448 1
1 574 . 4 1 1 A 48 48 ILE N N 48 118.052 121.380 -3.328 1
1 575 . 4 1 1 A 49 49 ALA H H 49 8.826 8.581 0.245 1
1 576 . 4 1 1 A 49 49 ALA HA H 49 4.071 4.193 -0.122 1
1 580 . 4 1 1 A 49 49 ALA C C 49 179.849 180.064 -0.215 1
1 581 . 4 1 1 A 49 49 ALA CA C 49 55.909 55.561 0.348 1
1 582 . 4 1 1 A 49 49 ALA CB C 49 18.289 18.614 -0.325 1
1 583 . 4 1 1 A 49 49 ALA N N 49 123.182 122.598 0.584 1
1 584 . 4 1 1 A 50 50 ASN H H 50 8.319 8.179 0.140 1
1 585 . 4 1 1 A 50 50 ASN HA H 50 4.517 4.408 0.109 1
1 590 . 4 1 1 A 50 50 ASN CA C 50 56.309 56.777 -0.468 1
1 591 . 4 1 1 A 50 50 ASN CB C 50 38.198 37.851 0.347 1
1 592 . 4 1 1 A 50 50 ASN N N 50 116.379 117.613 -1.234 1
1 594 . 4 1 1 A 51 51 MET H H 51 8.233 7.964 0.269 1
1 595 . 4 1 1 A 51 51 MET HA H 51 4.132 4.151 -0.019 1
1 603 . 4 1 1 A 51 51 MET CA C 51 59.312 58.570 0.742 1
1 604 . 4 1 1 A 51 51 MET CB C 51 34.763 32.446 2.317 1
1 607 . 4 1 1 A 51 51 MET N N 51 119.934 119.044 0.890 1
1 608 . 4 1 1 A 52 52 MET H H 52 8.926 8.669 0.257 1
1 609 . 4 1 1 A 52 52 MET HA H 52 3.874 4.249 -0.375 1
1 617 . 4 1 1 A 52 52 MET C C 52 177.228 178.971 -1.743 1
1 618 . 4 1 1 A 52 52 MET CA C 52 60.218 58.506 1.712 1
1 619 . 4 1 1 A 52 52 MET CB C 52 33.427 33.355 0.072 1
1 622 . 4 1 1 A 52 52 MET N N 52 120.686 118.514 2.172 1
1 623 . 4 1 1 A 53 53 GLU H H 53 8.111 8.478 -0.367 1
1 624 . 4 1 1 A 53 53 GLU HA H 53 3.863 4.024 -0.161 1
1 629 . 4 1 1 A 53 53 GLU C C 53 177.640 178.716 -1.076 1
1 630 . 4 1 1 A 53 53 GLU CA C 53 59.847 59.740 0.107 1
1 631 . 4 1 1 A 53 53 GLU CB C 53 29.778 29.473 0.305 1
1 633 . 4 1 1 A 53 53 GLU N N 53 119.207 118.632 0.575 1
1 634 . 4 1 1 A 54 54 GLU H H 54 7.030 7.737 -0.707 1
1 635 . 4 1 1 A 54 54 GLU HA H 54 4.014 4.087 -0.073 1
1 640 . 4 1 1 A 54 54 GLU C C 54 178.008 178.641 -0.633 1
1 641 . 4 1 1 A 54 54 GLU CA C 54 58.211 59.364 -1.153 1
1 642 . 4 1 1 A 54 54 GLU CB C 54 30.149 29.456 0.693 1
1 644 . 4 1 1 A 54 54 GLU N N 54 115.049 119.116 -4.067 1
1 645 . 4 1 1 A 55 55 LYS H H 55 7.670 8.065 -0.395 1
1 646 . 4 1 1 A 55 55 LYS HA H 55 3.930 3.861 0.069 1
1 655 . 4 1 1 A 55 55 LYS C C 55 175.986 176.441 -0.455 1
1 656 . 4 1 1 A 55 55 LYS CA C 55 56.405 58.705 -2.300 1
1 657 . 4 1 1 A 55 55 LYS CB C 55 32.705 32.095 0.610 1
1 661 . 4 1 1 A 55 55 LYS N N 55 117.040 119.908 -2.868 1
1 662 . 4 1 1 A 56 56 PHE H H 56 8.079 8.257 -0.178 1
1 663 . 4 1 1 A 56 56 PHE HA H 56 5.215 5.042 0.173 1
1 671 . 4 1 1 A 56 56 PHE CA C 56 53.965 55.004 -1.039 1
1 672 . 4 1 1 A 56 56 PHE CB C 56 38.759 39.147 -0.388 1
1 678 . 4 1 1 A 56 56 PHE N N 56 117.341 116.202 1.139 1
1 679 . 4 1 1 A 57 57 PRO HA H 57 4.514 4.537 -0.023 1
1 686 . 4 1 1 A 57 57 PRO CA C 57 64.818 64.425 0.393 1
1 687 . 4 1 1 A 57 57 PRO CB C 57 32.192 31.980 0.212 1
1 690 . 4 1 1 A 58 58 ALA H H 58 8.619 8.321 0.298 1
1 691 . 4 1 1 A 58 58 ALA HA H 58 4.206 4.089 0.117 1
1 695 . 4 1 1 A 58 58 ALA CA C 58 55.406 55.389 0.017 1
1 696 . 4 1 1 A 58 58 ALA CB C 58 18.353 18.676 -0.323 1
1 697 . 4 1 1 A 58 58 ALA N N 58 120.173 120.255 -0.082 1
1 698 . 4 1 1 A 59 59 ASP H H 59 7.515 7.888 -0.373 1
1 699 . 4 1 1 A 59 59 ASP HA H 59 4.810 4.798 0.012 1
1 702 . 4 1 1 A 59 59 ASP CA C 59 52.659 53.295 -0.636 1
1 703 . 4 1 1 A 59 59 ASP CB C 59 41.778 42.224 -0.446 1
1 704 . 4 1 1 A 59 59 ASP N N 59 113.536 115.341 -1.805 1
1 705 . 4 1 1 A 60 60 SER H H 60 8.392 8.541 -0.149 1
1 706 . 4 1 1 A 60 60 SER HA H 60 4.176 4.713 -0.537 1
1 709 . 4 1 1 A 60 60 SER CA C 60 60.221 59.571 0.650 1
1 710 . 4 1 1 A 60 60 SER CB C 60 62.050 61.648 0.402 1
1 711 . 4 1 1 A 60 60 SER N N 60 113.717 112.644 1.073 1
1 712 . 4 1 1 A 61 61 GLY H H 61 8.299 8.543 -0.244 1
1 713 . 4 1 1 A 61 61 GLY HA2 H 61 4.005 4.051 -0.046 1
1 714 . 4 1 1 A 61 61 GLY HA3 H 61 3.502 4.124 -0.622 1
1 715 . 4 1 1 A 61 61 GLY CA C 61 45.554 45.287 0.267 1
1 716 . 4 1 1 A 61 61 GLY N N 61 104.225 106.793 -2.568 1
1 717 . 4 1 1 A 62 62 LEU H H 62 7.927 7.595 0.332 1
1 718 . 4 1 1 A 62 62 LEU HA H 62 3.915 4.000 -0.085 1
1 728 . 4 1 1 A 62 62 LEU CA C 62 58.075 57.928 0.147 1
1 729 . 4 1 1 A 62 62 LEU CB C 62 41.731 42.051 -0.320 1
1 733 . 4 1 1 A 62 62 LEU N N 62 122.094 122.763 -0.669 1
1 734 . 4 1 1 A 63 63 GLY H H 63 8.566 8.247 0.319 1
1 735 . 4 1 1 A 63 63 GLY HA2 H 63 3.847 3.743 0.104 1
1 736 . 4 1 1 A 63 63 GLY HA3 H 63 3.592 3.749 -0.157 1
1 737 . 4 1 1 A 63 63 GLY CA C 63 47.146 47.290 -0.144 1
1 738 . 4 1 1 A 63 63 GLY N N 63 105.732 106.339 -0.607 1
1 739 . 4 1 1 A 64 64 LYS H H 64 7.509 8.175 -0.666 1
1 740 . 4 1 1 A 64 64 LYS HA H 64 4.115 3.950 0.165 1
1 749 . 4 1 1 A 64 64 LYS C C 64 179.856 178.970 0.886 1
1 750 . 4 1 1 A 64 64 LYS CA C 64 57.768 59.207 -1.439 1
1 751 . 4 1 1 A 64 64 LYS CB C 64 31.542 31.975 -0.433 1
1 755 . 4 1 1 A 64 64 LYS N N 64 120.697 121.975 -1.278 1
1 756 . 4 1 1 A 65 65 LEU H H 65 7.544 7.945 -0.401 1
1 757 . 4 1 1 A 65 65 LEU HA H 65 4.219 3.839 0.380 1
1 767 . 4 1 1 A 65 65 LEU C C 65 178.606 178.637 -0.031 1
1 768 . 4 1 1 A 65 65 LEU CA C 65 57.675 57.824 -0.149 1
1 769 . 4 1 1 A 65 65 LEU CB C 65 41.040 41.490 -0.450 1
1 773 . 4 1 1 A 65 65 LEU N N 65 120.399 120.646 -0.247 1
1 774 . 4 1 1 A 66 66 ILE H H 66 8.605 8.445 0.160 1
1 775 . 4 1 1 A 66 66 ILE HA H 66 3.271 3.628 -0.357 1
1 785 . 4 1 1 A 66 66 ILE C C 66 176.721 177.963 -1.242 1
1 786 . 4 1 1 A 66 66 ILE CA C 66 67.612 65.695 1.917 1
1 787 . 4 1 1 A 66 66 ILE CB C 66 38.006 37.681 0.325 1
1 791 . 4 1 1 A 66 66 ILE N N 66 121.170 120.352 0.818 1
1 792 . 4 1 1 A 67 67 GLU H H 67 8.157 7.777 0.380 1
1 793 . 4 1 1 A 67 67 GLU HA H 67 4.007 3.946 0.061 1
1 798 . 4 1 1 A 67 67 GLU C C 67 178.848 179.309 -0.461 1
1 799 . 4 1 1 A 67 67 GLU CA C 67 59.476 59.721 -0.245 1
1 800 . 4 1 1 A 67 67 GLU CB C 67 30.055 29.668 0.387 1
1 802 . 4 1 1 A 67 67 GLU N N 67 118.066 119.228 -1.162 1
1 803 . 4 1 1 A 68 68 PHE H H 68 7.673 7.874 -0.201 1
1 804 . 4 1 1 A 68 68 PHE HA H 68 4.393 4.090 0.303 1
1 812 . 4 1 1 A 68 68 PHE C C 68 176.609 177.602 -0.993 1
1 813 . 4 1 1 A 68 68 PHE CA C 68 60.660 61.631 -0.971 1
1 814 . 4 1 1 A 68 68 PHE CB C 68 39.666 39.676 -0.010 1
1 820 . 4 1 1 A 68 68 PHE N N 68 119.383 121.082 -1.699 1
1 821 . 4 1 1 A 69 69 CYS H H 69 8.137 8.101 0.036 1
1 822 . 4 1 1 A 69 69 CYS HA H 69 3.714 3.771 -0.057 1
1 825 . 4 1 1 A 69 69 CYS C C 69 175.221 177.266 -2.045 1
1 826 . 4 1 1 A 69 69 CYS CA C 69 62.782 63.270 -0.488 1
1 827 . 4 1 1 A 69 69 CYS CB C 69 26.732 26.840 -0.108 1
1 828 . 4 1 1 A 69 69 CYS N N 69 115.218 116.980 -1.762 1
1 829 . 4 1 1 A 70 70 GLU H H 70 8.108 8.046 0.062 1
1 830 . 4 1 1 A 70 70 GLU HA H 70 3.739 3.932 -0.193 1
1 835 . 4 1 1 A 70 70 GLU C C 70 178.404 178.654 -0.250 1
1 836 . 4 1 1 A 70 70 GLU CA C 70 58.839 59.361 -0.522 1
1 837 . 4 1 1 A 70 70 GLU CB C 70 30.149 29.320 0.829 1
1 839 . 4 1 1 A 70 70 GLU N N 70 113.937 119.584 -5.647 1
1 840 . 4 1 1 A 71 71 GLU H H 71 7.306 8.040 -0.734 1
1 841 . 4 1 1 A 71 71 GLU HA H 71 4.148 4.100 0.048 1
1 846 . 4 1 1 A 71 71 GLU C C 71 176.363 176.809 -0.446 1
1 847 . 4 1 1 A 71 71 GLU CA C 71 56.943 59.151 -2.208 1
1 848 . 4 1 1 A 71 71 GLU CB C 71 30.374 28.963 1.411 1
1 850 . 4 1 1 A 71 71 GLU N N 71 117.591 118.107 -0.516 1
1 851 . 4 1 1 A 72 72 VAL H H 72 7.055 7.519 -0.464 1
1 852 . 4 1 1 A 72 72 VAL HA H 72 4.220 4.116 0.104 1
1 860 . 4 1 1 A 72 72 VAL C C 72 174.906 175.676 -0.770 1
1 861 . 4 1 1 A 72 72 VAL CA C 72 59.360 59.841 -0.481 1
1 862 . 4 1 1 A 72 72 VAL CB C 72 33.462 31.863 1.599 1
1 865 . 4 1 1 A 72 72 VAL N N 72 122.531 121.453 1.078 1
1 866 . 4 1 1 A 73 73 PRO HA H 73 3.887 4.429 -0.542 1
1 873 . 4 1 1 A 73 73 PRO C C 73 179.162 177.542 1.620 1
1 874 . 4 1 1 A 73 73 PRO CA C 73 66.658 64.706 1.952 1
1 875 . 4 1 1 A 73 73 PRO CB C 73 31.819 31.977 -0.158 1
1 878 . 4 1 1 A 74 74 ALA H H 74 8.188 8.149 0.039 1
1 879 . 4 1 1 A 74 74 ALA HA H 74 4.217 4.157 0.060 1
1 883 . 4 1 1 A 74 74 ALA C C 74 178.535 178.369 0.166 1
1 884 . 4 1 1 A 74 74 ALA CA C 74 54.149 54.241 -0.092 1
1 885 . 4 1 1 A 74 74 ALA CB C 74 19.305 18.454 0.851 1
1 886 . 4 1 1 A 74 74 ALA N N 74 116.317 119.692 -3.375 1
1 887 . 4 1 1 A 75 75 LEU H H 75 8.188 7.502 0.686 1
1 888 . 4 1 1 A 75 75 LEU HA H 75 4.607 4.106 0.501 1
1 898 . 4 1 1 A 75 75 LEU C C 75 177.094 178.138 -1.044 1
1 899 . 4 1 1 A 75 75 LEU CA C 75 53.645 56.074 -2.429 1
1 900 . 4 1 1 A 75 75 LEU CB C 75 42.633 41.914 0.719 1
1 904 . 4 1 1 A 75 75 LEU N N 75 116.296 116.972 -0.676 1
1 905 . 4 1 1 A 76 76 ARG H H 76 7.332 8.125 -0.793 1
1 906 . 4 1 1 A 76 76 ARG HA H 76 3.789 3.842 -0.053 1
1 913 . 4 1 1 A 76 76 ARG C C 76 179.457 178.491 0.966 1
1 914 . 4 1 1 A 76 76 ARG CA C 76 60.815 59.743 1.072 1
1 915 . 4 1 1 A 76 76 ARG CB C 76 29.535 30.090 -0.555 1
1 918 . 4 1 1 A 76 76 ARG N N 76 122.654 119.216 3.438 1
1 919 . 4 1 1 A 77 77 LYS H H 77 8.489 7.885 0.604 1
1 920 . 4 1 1 A 77 77 LYS HA H 77 4.118 3.935 0.183 1
1 929 . 4 1 1 A 77 77 LYS C C 77 179.135 178.925 0.210 1
1 930 . 4 1 1 A 77 77 LYS CA C 77 58.963 59.305 -0.342 1
1 931 . 4 1 1 A 77 77 LYS CB C 77 31.113 32.195 -1.082 1
1 935 . 4 1 1 A 77 77 LYS N N 77 119.343 119.719 -0.376 1
1 936 . 4 1 1 A 78 78 ARG H H 78 7.626 8.114 -0.488 1
1 937 . 4 1 1 A 78 78 ARG HA H 78 3.931 4.052 -0.121 1
1 944 . 4 1 1 A 78 78 ARG C C 78 178.200 178.051 0.149 1
1 945 . 4 1 1 A 78 78 ARG CA C 78 56.415 58.781 -2.366 1
1 946 . 4 1 1 A 78 78 ARG CB C 78 27.010 29.779 -2.769 1
1 949 . 4 1 1 A 78 78 ARG N N 78 120.202 119.307 0.895 1
1 950 . 4 1 1 A 79 79 ALA H H 79 8.138 8.125 0.013 1
1 951 . 4 1 1 A 79 79 ALA HA H 79 3.837 4.039 -0.202 1
1 955 . 4 1 1 A 79 79 ALA C C 79 178.684 179.718 -1.034 1
1 956 . 4 1 1 A 79 79 ALA CA C 79 55.692 55.105 0.587 1
1 957 . 4 1 1 A 79 79 ALA CB C 79 18.376 18.472 -0.096 1
1 958 . 4 1 1 A 79 79 ALA N N 79 120.388 121.883 -1.495 1
1 959 . 4 1 1 A 80 80 GLU H H 80 7.437 8.027 -0.590 1
1 960 . 4 1 1 A 80 80 GLU HA H 80 3.877 4.104 -0.227 1
1 965 . 4 1 1 A 80 80 GLU C C 80 179.640 178.695 0.945 1
1 966 . 4 1 1 A 80 80 GLU CA C 80 59.370 59.097 0.273 1
1 967 . 4 1 1 A 80 80 GLU CB C 80 29.445 29.278 0.167 1
1 969 . 4 1 1 A 80 80 GLU N N 80 115.384 116.590 -1.206 1
1 970 . 4 1 1 A 81 81 ILE H H 81 7.721 7.398 0.323 1
1 971 . 4 1 1 A 81 81 ILE HA H 81 3.675 3.650 0.025 1
1 981 . 4 1 1 A 81 81 ILE C C 81 178.179 178.456 -0.277 1
1 982 . 4 1 1 A 81 81 ILE CA C 81 65.187 65.493 -0.306 1
1 983 . 4 1 1 A 81 81 ILE CB C 81 38.471 37.662 0.809 1
1 987 . 4 1 1 A 81 81 ILE N N 81 121.563 121.319 0.244 1
1 988 . 4 1 1 A 82 82 LEU H H 82 8.374 8.139 0.235 1
1 989 . 4 1 1 A 82 82 LEU HA H 82 3.930 3.791 0.139 1
1 999 . 4 1 1 A 82 82 LEU C C 82 179.279 178.913 0.366 1
1 1000 . 4 1 1 A 82 82 LEU CA C 82 58.038 58.346 -0.308 1
1 1001 . 4 1 1 A 82 82 LEU CB C 82 42.869 41.553 1.316 1
1 1005 . 4 1 1 A 82 82 LEU N N 82 119.839 120.261 -0.422 1
1 1006 . 4 1 1 A 83 83 LYS H H 83 8.153 8.098 0.055 1
1 1007 . 4 1 1 A 83 83 LYS HA H 83 3.740 3.832 -0.092 1
1 1016 . 4 1 1 A 83 83 LYS C C 83 179.548 178.847 0.701 1
1 1017 . 4 1 1 A 83 83 LYS CA C 83 60.433 60.518 -0.085 1
1 1018 . 4 1 1 A 83 83 LYS CB C 83 32.703 32.267 0.436 1
1 1022 . 4 1 1 A 83 83 LYS N N 83 117.092 116.928 0.164 1
1 1023 . 4 1 1 A 84 84 LYS H H 84 7.705 7.746 -0.041 1
1 1024 . 4 1 1 A 84 84 LYS HA H 84 4.101 3.942 0.159 1
1 1033 . 4 1 1 A 84 84 LYS C C 84 179.082 178.925 0.157 1
1 1034 . 4 1 1 A 84 84 LYS CA C 84 59.120 59.837 -0.717 1
1 1035 . 4 1 1 A 84 84 LYS CB C 84 32.291 32.225 0.066 1
1 1039 . 4 1 1 A 84 84 LYS N N 84 121.473 120.249 1.224 1
1 1040 . 4 1 1 A 85 85 GLU H H 85 8.567 7.860 0.707 1
1 1041 . 4 1 1 A 85 85 GLU HA H 85 4.013 4.121 -0.108 1
1 1046 . 4 1 1 A 85 85 GLU CA C 85 59.360 59.278 0.082 1
1 1047 . 4 1 1 A 85 85 GLU CB C 85 30.033 29.628 0.405 1
1 1049 . 4 1 1 A 85 85 GLU N N 85 119.645 118.959 0.686 1
1 1050 . 4 1 1 A 86 86 ARG H H 86 8.467 8.048 0.419 1
1 1051 . 4 1 1 A 86 86 ARG HA H 86 4.030 4.036 -0.006 1
1 1058 . 4 1 1 A 86 86 ARG C C 86 177.790 177.389 0.401 1
1 1059 . 4 1 1 A 86 86 ARG CA C 86 58.556 59.219 -0.663 1
1 1060 . 4 1 1 A 86 86 ARG CB C 86 30.377 29.963 0.414 1
1 1063 . 4 1 1 A 86 86 ARG N N 86 119.408 121.701 -2.293 1
1 1064 . 4 1 1 A 87 87 SER H H 87 7.851 7.797 0.054 1
1 1065 . 4 1 1 A 87 87 SER HA H 87 4.369 4.309 0.060 1
1 1068 . 4 1 1 A 87 87 SER C C 87 175.282 173.795 1.487 1
1 1069 . 4 1 1 A 87 87 SER CA C 87 60.271 58.463 1.808 1
1 1070 . 4 1 1 A 87 87 SER CB C 87 63.601 63.340 0.261 1
1 1071 . 4 1 1 A 87 87 SER N N 87 115.071 114.640 0.431 1
1 1072 . 4 1 1 A 88 88 GLU H H 88 7.891 8.658 -0.767 1
1 1073 . 4 1 1 A 88 88 GLU HA H 88 4.316 4.605 -0.289 1
1 1078 . 4 1 1 A 88 88 GLU C C 88 176.801 177.647 -0.846 1
1 1079 . 4 1 1 A 88 88 GLU CA C 88 57.036 57.006 0.030 1
1 1080 . 4 1 1 A 88 88 GLU CB C 88 30.024 31.541 -1.517 1
1 1082 . 4 1 1 A 88 88 GLU N N 88 121.067 127.222 -6.155 1
1 1083 . 4 1 1 A 89 89 SER H H 89 7.934 8.218 -0.284 1
1 1084 . 4 1 1 A 89 89 SER HA H 89 4.503 4.640 -0.137 1
1 1087 . 4 1 1 A 89 89 SER C C 89 174.624 174.653 -0.029 1
1 1088 . 4 1 1 A 89 89 SER CA C 89 58.875 58.896 -0.021 1
1 1089 . 4 1 1 A 89 89 SER CB C 89 64.040 64.522 -0.482 1
1 1090 . 4 1 1 A 89 89 SER N N 89 115.241 112.313 2.928 1
1 1091 . 4 1 1 A 90 90 GLY H H 90 8.062 7.263 0.799 1
1 1092 . 4 1 1 A 90 90 GLY HA2 H 90 4.210 4.047 0.163 1
1 1093 . 4 1 1 A 90 90 GLY HA3 H 90 4.083 4.047 0.036 1
1 1094 . 4 1 1 A 90 90 GLY C C 90 171.774 174.019 -2.245 1
1 1095 . 4 1 1 A 90 90 GLY CA C 90 44.872 45.345 -0.473 1
1 1096 . 4 1 1 A 90 90 GLY N N 90 110.384 107.719 2.665 1
1 1097 . 4 1 1 A 91 91 PRO HA H 91 4.495 4.440 0.055 1
1 1104 . 4 1 1 A 91 91 PRO C C 91 177.475 176.404 1.071 1
1 1105 . 4 1 1 A 91 91 PRO CA C 91 63.295 64.530 -1.235 1
1 1106 . 4 1 1 A 91 91 PRO CB C 91 32.234 32.158 0.076 1
1 1109 . 4 1 1 A 92 92 SER H H 92 8.557 7.918 0.639 1
1 1110 . 4 1 1 A 92 92 SER HA H 92 4.575 5.117 -0.542 1
1 1113 . 4 1 1 A 92 92 SER C C 92 174.736 173.259 1.477 1
1 1114 . 4 1 1 A 92 92 SER CA C 92 58.380 57.649 0.731 1
1 1115 . 4 1 1 A 92 92 SER CB C 92 64.221 65.628 -1.407 1
1 1 . 5 1 1 A 6 6 SER H H 6 8.063 8.194 -0.131 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.493 4.334 0.159 1
1 5 . 5 1 1 A 6 6 SER CA C 6 59.071 59.667 -0.596 1
1 6 . 5 1 1 A 6 6 SER CB C 6 63.626 64.486 -0.860 1
1 7 . 5 1 1 A 7 7 GLY H H 7 8.424 8.070 0.354 1
1 8 . 5 1 1 A 7 7 GLY HA2 H 7 3.985 3.932 0.053 1
1 9 . 5 1 1 A 7 7 GLY HA3 H 7 3.834 3.932 -0.098 1
1 10 . 5 1 1 A 7 7 GLY CA C 7 47.092 47.279 -0.187 1
1 11 . 5 1 1 A 7 7 GLY N N 7 109.548 110.262 -0.714 1
1 12 . 5 1 1 A 8 8 ILE H H 8 7.565 8.156 -0.591 1
1 13 . 5 1 1 A 8 8 ILE HA H 8 3.883 4.027 -0.144 1
1 23 . 5 1 1 A 8 8 ILE CA C 8 63.805 62.415 1.390 1
1 24 . 5 1 1 A 8 8 ILE CB C 8 37.866 38.214 -0.348 1
1 28 . 5 1 1 A 8 8 ILE N N 8 123.348 123.437 -0.089 1
1 29 . 5 1 1 A 9 9 VAL H H 9 7.538 8.303 -0.765 1
1 30 . 5 1 1 A 9 9 VAL HA H 9 3.471 4.686 -1.215 1
1 38 . 5 1 1 A 9 9 VAL CA C 9 66.382 60.137 6.245 1
1 39 . 5 1 1 A 9 9 VAL CB C 9 31.755 35.215 -3.460 1
1 42 . 5 1 1 A 9 9 VAL N N 9 121.471 123.433 -1.962 1
1 43 . 5 1 1 A 10 10 LEU H H 10 7.941 8.995 -1.054 1
1 44 . 5 1 1 A 10 10 LEU HA H 10 3.848 3.913 -0.065 1
1 54 . 5 1 1 A 10 10 LEU CA C 10 58.619 57.837 0.782 1
1 55 . 5 1 1 A 10 10 LEU CB C 10 41.377 41.497 -0.120 1
1 59 . 5 1 1 A 10 10 LEU N N 10 119.521 129.775 -10.254 1
1 60 . 5 1 1 A 11 11 LEU H H 11 8.207 8.300 -0.093 1
1 61 . 5 1 1 A 11 11 LEU HA H 11 3.792 4.073 -0.281 1
1 71 . 5 1 1 A 11 11 LEU CA C 11 58.241 58.329 -0.088 1
1 72 . 5 1 1 A 11 11 LEU CB C 11 41.790 41.556 0.234 1
1 76 . 5 1 1 A 11 11 LEU N N 11 119.938 120.301 -0.363 1
1 77 . 5 1 1 A 12 12 ARG H H 12 7.904 8.251 -0.347 1
1 78 . 5 1 1 A 12 12 ARG HA H 12 3.966 3.890 0.076 1
1 85 . 5 1 1 A 12 12 ARG CA C 12 59.301 59.841 -0.540 1
1 86 . 5 1 1 A 12 12 ARG CB C 12 30.132 30.038 0.094 1
1 89 . 5 1 1 A 12 12 ARG N N 12 116.799 119.589 -2.790 1
1 90 . 5 1 1 A 13 13 GLY H H 13 8.190 8.485 -0.295 1
1 91 . 5 1 1 A 13 13 GLY HA2 H 13 3.740 3.813 -0.073 1
1 92 . 5 1 1 A 13 13 GLY HA3 H 13 3.437 3.815 -0.378 1
1 93 . 5 1 1 A 13 13 GLY CA C 13 47.988 46.899 1.089 1
1 94 . 5 1 1 A 13 13 GLY N N 13 107.618 106.724 0.894 1
1 95 . 5 1 1 A 14 14 LEU H H 14 8.515 7.987 0.528 1
1 96 . 5 1 1 A 14 14 LEU HA H 14 3.785 3.994 -0.209 1
1 106 . 5 1 1 A 14 14 LEU C C 14 178.232 179.222 -0.990 1
1 107 . 5 1 1 A 14 14 LEU CA C 14 57.401 57.751 -0.350 1
1 108 . 5 1 1 A 14 14 LEU CB C 14 41.981 41.776 0.205 1
1 112 . 5 1 1 A 14 14 LEU N N 14 120.161 122.770 -2.609 1
1 113 . 5 1 1 A 15 15 GLU H H 15 7.931 8.148 -0.217 1
1 114 . 5 1 1 A 15 15 GLU HA H 15 4.030 3.899 0.131 1
1 119 . 5 1 1 A 15 15 GLU CA C 15 57.961 59.263 -1.302 1
1 120 . 5 1 1 A 15 15 GLU CB C 15 30.140 29.089 1.051 1
1 122 . 5 1 1 A 15 15 GLU N N 15 114.703 117.339 -2.636 1
1 123 . 5 1 1 A 16 16 CYS H H 16 7.612 8.086 -0.474 1
1 124 . 5 1 1 A 16 16 CYS HA H 16 4.457 4.126 0.331 1
1 127 . 5 1 1 A 16 16 CYS CA C 16 60.982 62.983 -2.001 1
1 128 . 5 1 1 A 16 16 CYS CB C 16 27.917 27.546 0.371 1
1 129 . 5 1 1 A 16 16 CYS N N 16 114.695 119.349 -4.654 1
1 130 . 5 1 1 A 17 17 ILE H H 17 7.142 7.560 -0.418 1
1 131 . 5 1 1 A 17 17 ILE HA H 17 4.533 4.322 0.211 1
1 141 . 5 1 1 A 17 17 ILE CA C 17 61.521 60.661 0.860 1
1 142 . 5 1 1 A 17 17 ILE CB C 17 39.206 39.129 0.077 1
1 146 . 5 1 1 A 17 17 ILE N N 17 115.031 117.842 -2.811 1
1 147 . 5 1 1 A 18 18 ASN H H 18 8.325 8.822 -0.497 1
1 148 . 5 1 1 A 18 18 ASN HA H 18 4.575 4.962 -0.387 1
1 153 . 5 1 1 A 18 18 ASN C C 18 175.171 176.762 -1.591 1
1 154 . 5 1 1 A 18 18 ASN CA C 18 53.278 53.502 -0.224 1
1 155 . 5 1 1 A 18 18 ASN CB C 18 38.419 40.929 -2.510 1
1 156 . 5 1 1 A 18 18 ASN N N 18 119.943 122.247 -2.304 1
1 158 . 5 1 1 A 19 19 LYS H H 19 8.514 8.809 -0.295 1
1 159 . 5 1 1 A 19 19 LYS HA H 19 4.242 4.184 0.058 1
1 168 . 5 1 1 A 19 19 LYS C C 19 178.868 179.052 -0.184 1
1 169 . 5 1 1 A 19 19 LYS CA C 19 60.006 60.155 -0.149 1
1 170 . 5 1 1 A 19 19 LYS CB C 19 32.291 32.379 -0.088 1
1 174 . 5 1 1 A 19 19 LYS N N 19 118.191 125.481 -7.290 1
1 175 . 5 1 1 A 20 20 HIS H H 20 8.328 7.737 0.591 1
1 176 . 5 1 1 A 20 20 HIS HA H 20 4.371 4.239 0.132 1
1 181 . 5 1 1 A 20 20 HIS C C 20 178.335 176.718 1.617 1
1 182 . 5 1 1 A 20 20 HIS CA C 20 59.785 59.246 0.539 1
1 183 . 5 1 1 A 20 20 HIS CB C 20 29.879 29.836 0.043 1
1 186 . 5 1 1 A 20 20 HIS N N 20 120.900 119.585 1.315 1
1 187 . 5 1 1 A 21 21 TYR H H 21 8.464 8.417 0.047 1
1 188 . 5 1 1 A 21 21 TYR HA H 21 4.540 4.160 0.380 1
1 195 . 5 1 1 A 21 21 TYR C C 21 178.222 178.509 -0.287 1
1 196 . 5 1 1 A 21 21 TYR CA C 21 61.863 61.560 0.303 1
1 197 . 5 1 1 A 21 21 TYR CB C 21 38.012 38.256 -0.244 1
1 202 . 5 1 1 A 21 21 TYR N N 21 118.132 117.399 0.733 1
1 203 . 5 1 1 A 22 22 PHE H H 22 9.095 8.359 0.736 1
1 204 . 5 1 1 A 22 22 PHE HA H 22 4.616 4.099 0.517 1
1 212 . 5 1 1 A 22 22 PHE C C 22 177.409 177.090 0.319 1
1 213 . 5 1 1 A 22 22 PHE CA C 22 59.761 61.797 -2.036 1
1 214 . 5 1 1 A 22 22 PHE CB C 22 38.982 39.126 -0.144 1
1 220 . 5 1 1 A 22 22 PHE N N 22 121.771 121.145 0.626 1
1 221 . 5 1 1 A 23 23 SER H H 23 8.400 8.455 -0.055 1
1 222 . 5 1 1 A 23 23 SER HA H 23 3.785 3.820 -0.035 1
1 225 . 5 1 1 A 23 23 SER C C 23 177.318 177.331 -0.013 1
1 226 . 5 1 1 A 23 23 SER CA C 23 62.453 61.717 0.736 1
1 227 . 5 1 1 A 23 23 SER CB C 23 62.279 63.031 -0.752 1
1 228 . 5 1 1 A 23 23 SER N N 23 115.511 113.609 1.902 1
1 229 . 5 1 1 A 24 24 LEU H H 24 7.737 8.045 -0.308 1
1 230 . 5 1 1 A 24 24 LEU HA H 24 4.118 3.918 0.200 1
1 240 . 5 1 1 A 24 24 LEU C C 24 178.956 178.776 0.180 1
1 241 . 5 1 1 A 24 24 LEU CA C 24 57.992 57.796 0.196 1
1 242 . 5 1 1 A 24 24 LEU CB C 24 42.066 41.880 0.186 1
1 246 . 5 1 1 A 24 24 LEU N N 24 123.378 121.835 1.543 1
1 247 . 5 1 1 A 25 25 PHE H H 25 8.643 7.793 0.850 1
1 248 . 5 1 1 A 25 25 PHE HA H 25 3.475 3.447 0.028 1
1 256 . 5 1 1 A 25 25 PHE C C 25 176.905 177.015 -0.110 1
1 257 . 5 1 1 A 25 25 PHE CA C 25 61.196 61.529 -0.333 1
1 258 . 5 1 1 A 25 25 PHE CB C 25 38.741 38.853 -0.112 1
1 264 . 5 1 1 A 25 25 PHE N N 25 122.640 118.152 4.488 1
1 265 . 5 1 1 A 26 26 LYS H H 26 8.022 7.676 0.346 1
1 266 . 5 1 1 A 26 26 LYS HA H 26 3.197 3.598 -0.401 1
1 275 . 5 1 1 A 26 26 LYS C C 26 177.424 179.213 -1.789 1
1 276 . 5 1 1 A 26 26 LYS CA C 26 61.439 59.342 2.097 1
1 277 . 5 1 1 A 26 26 LYS CB C 26 32.363 32.137 0.226 1
1 281 . 5 1 1 A 26 26 LYS N N 26 116.023 118.189 -2.166 1
1 282 . 5 1 1 A 27 27 SER H H 27 7.473 7.856 -0.383 1
1 283 . 5 1 1 A 27 27 SER HA H 27 4.134 4.270 -0.136 1
1 286 . 5 1 1 A 27 27 SER C C 27 177.449 176.507 0.942 1
1 287 . 5 1 1 A 27 27 SER CA C 27 61.544 62.399 -0.855 1
1 288 . 5 1 1 A 27 27 SER CB C 27 62.828 62.694 0.134 1
1 289 . 5 1 1 A 27 27 SER N N 27 111.668 116.607 -4.939 1
1 290 . 5 1 1 A 28 28 LEU H H 28 7.625 7.909 -0.284 1
1 291 . 5 1 1 A 28 28 LEU HA H 28 4.117 4.043 0.074 1
1 301 . 5 1 1 A 28 28 LEU C C 28 179.076 179.014 0.062 1
1 302 . 5 1 1 A 28 28 LEU CA C 28 57.336 57.726 -0.390 1
1 303 . 5 1 1 A 28 28 LEU CB C 28 41.585 41.806 -0.221 1
1 307 . 5 1 1 A 28 28 LEU N N 28 123.121 120.585 2.536 1
1 308 . 5 1 1 A 29 29 LEU H H 29 7.391 7.862 -0.471 1
1 309 . 5 1 1 A 29 29 LEU HA H 29 4.276 4.047 0.229 1
1 319 . 5 1 1 A 29 29 LEU C C 29 177.606 178.193 -0.587 1
1 320 . 5 1 1 A 29 29 LEU CA C 29 54.243 56.641 -2.398 1
1 321 . 5 1 1 A 29 29 LEU CB C 29 41.665 41.301 0.364 1
1 325 . 5 1 1 A 29 29 LEU N N 29 119.910 117.639 2.271 1
1 326 . 5 1 1 A 30 30 ALA H H 30 7.242 8.373 -1.131 1
1 327 . 5 1 1 A 30 30 ALA HA H 30 3.505 3.924 -0.419 1
1 331 . 5 1 1 A 30 30 ALA C C 30 179.568 179.599 -0.031 1
1 332 . 5 1 1 A 30 30 ALA CA C 30 56.470 55.572 0.898 1
1 333 . 5 1 1 A 30 30 ALA CB C 30 18.818 18.413 0.405 1
1 334 . 5 1 1 A 30 30 ALA N N 30 122.470 121.989 0.481 1
1 335 . 5 1 1 A 31 31 ARG H H 31 8.256 7.975 0.281 1
1 336 . 5 1 1 A 31 31 ARG HA H 31 4.142 4.061 0.081 1
1 343 . 5 1 1 A 31 31 ARG C C 31 179.303 178.112 1.191 1
1 344 . 5 1 1 A 31 31 ARG CA C 31 58.917 58.797 0.120 1
1 345 . 5 1 1 A 31 31 ARG CB C 31 29.407 30.117 -0.710 1
1 348 . 5 1 1 A 31 31 ARG N N 31 116.240 117.094 -0.854 1
1 349 . 5 1 1 A 32 32 ASP H H 32 8.205 8.081 0.124 1
1 350 . 5 1 1 A 32 32 ASP HA H 32 4.334 4.327 0.007 1
1 353 . 5 1 1 A 32 32 ASP C C 32 177.470 178.500 -1.030 1
1 354 . 5 1 1 A 32 32 ASP CA C 32 57.336 57.039 0.297 1
1 355 . 5 1 1 A 32 32 ASP CB C 32 41.582 40.839 0.743 1
1 356 . 5 1 1 A 32 32 ASP N N 32 120.398 120.419 -0.021 1
1 357 . 5 1 1 A 33 33 LEU H H 33 7.933 8.150 -0.217 1
1 358 . 5 1 1 A 33 33 LEU HA H 33 4.206 4.109 0.097 1
1 368 . 5 1 1 A 33 33 LEU C C 33 175.261 176.414 -1.153 1
1 369 . 5 1 1 A 33 33 LEU CA C 33 53.700 55.803 -2.103 1
1 370 . 5 1 1 A 33 33 LEU CB C 33 41.306 41.989 -0.683 1
1 374 . 5 1 1 A 33 33 LEU N N 33 113.338 118.240 -4.902 1
1 375 . 5 1 1 A 34 34 ASN H H 34 7.688 8.216 -0.528 1
1 376 . 5 1 1 A 34 34 ASN HA H 34 4.307 4.653 -0.346 1
1 381 . 5 1 1 A 34 34 ASN C C 34 175.092 174.599 0.493 1
1 382 . 5 1 1 A 34 34 ASN CA C 34 53.960 54.323 -0.363 1
1 383 . 5 1 1 A 34 34 ASN CB C 34 37.073 37.229 -0.156 1
1 384 . 5 1 1 A 34 34 ASN N N 34 116.912 117.481 -0.569 1
1 386 . 5 1 1 A 35 35 LEU H H 35 8.177 7.851 0.326 1
1 387 . 5 1 1 A 35 35 LEU HA H 35 4.008 4.363 -0.355 1
1 397 . 5 1 1 A 35 35 LEU C C 35 177.637 175.377 2.260 1
1 398 . 5 1 1 A 35 35 LEU CA C 35 54.233 54.989 -0.756 1
1 399 . 5 1 1 A 35 35 LEU CB C 35 41.024 42.477 -1.453 1
1 403 . 5 1 1 A 35 35 LEU N N 35 115.363 120.039 -4.676 1
1 404 . 5 1 1 A 36 36 GLU H H 36 8.419 8.877 -0.458 1
1 405 . 5 1 1 A 36 36 GLU HA H 36 4.175 4.878 -0.703 1
1 410 . 5 1 1 A 36 36 GLU C C 36 177.626 176.951 0.675 1
1 411 . 5 1 1 A 36 36 GLU CA C 36 56.872 54.709 2.163 1
1 412 . 5 1 1 A 36 36 GLU CB C 36 29.675 31.390 -1.715 1
1 414 . 5 1 1 A 36 36 GLU N N 36 122.591 119.520 3.071 1
1 415 . 5 1 1 A 37 37 ARG H H 37 8.577 8.646 -0.069 1
1 416 . 5 1 1 A 37 37 ARG HA H 37 3.889 4.087 -0.198 1
1 423 . 5 1 1 A 37 37 ARG C C 37 178.119 177.293 0.826 1
1 424 . 5 1 1 A 37 37 ARG CA C 37 58.924 59.035 -0.111 1
1 425 . 5 1 1 A 37 37 ARG CB C 37 30.074 29.675 0.399 1
1 428 . 5 1 1 A 37 37 ARG N N 37 124.790 125.653 -0.863 1
1 429 . 5 1 1 A 38 38 ASP H H 38 8.623 8.031 0.592 1
1 430 . 5 1 1 A 38 38 ASP HA H 38 4.591 4.497 0.094 1
1 433 . 5 1 1 A 38 38 ASP C C 38 176.021 178.396 -2.375 1
1 434 . 5 1 1 A 38 38 ASP CA C 38 55.073 56.197 -1.124 1
1 435 . 5 1 1 A 38 38 ASP CB C 38 40.722 41.088 -0.366 1
1 436 . 5 1 1 A 38 38 ASP N N 38 116.313 118.975 -2.662 1
1 437 . 5 1 1 A 39 39 ASN H H 39 7.668 7.942 -0.274 1
1 438 . 5 1 1 A 39 39 ASN HA H 39 4.936 4.400 0.536 1
1 443 . 5 1 1 A 39 39 ASN C C 39 175.702 176.024 -0.322 1
1 444 . 5 1 1 A 39 39 ASN CA C 39 52.626 54.234 -1.608 1
1 445 . 5 1 1 A 39 39 ASN CB C 39 38.966 37.650 1.316 1
1 446 . 5 1 1 A 39 39 ASN N N 39 116.330 118.134 -1.804 1
1 448 . 5 1 1 A 40 40 GLN H H 40 8.324 7.904 0.420 1
1 449 . 5 1 1 A 40 40 GLN HA H 40 4.285 4.324 -0.039 1
1 456 . 5 1 1 A 40 40 GLN C C 40 178.897 176.684 2.213 1
1 457 . 5 1 1 A 40 40 GLN CA C 40 58.513 57.480 1.033 1
1 458 . 5 1 1 A 40 40 GLN CB C 40 29.225 28.511 0.714 1
1 460 . 5 1 1 A 40 40 GLN N N 40 119.556 118.801 0.755 1
1 462 . 5 1 1 A 41 41 GLU H H 41 8.956 7.733 1.223 1
1 463 . 5 1 1 A 41 41 GLU HA H 41 3.950 4.188 -0.238 1
1 468 . 5 1 1 A 41 41 GLU C C 41 176.712 177.750 -1.038 1
1 469 . 5 1 1 A 41 41 GLU CA C 41 58.716 58.313 0.403 1
1 470 . 5 1 1 A 41 41 GLU CB C 41 29.124 29.843 -0.719 1
1 472 . 5 1 1 A 41 41 GLU N N 41 121.919 120.371 1.548 1
1 473 . 5 1 1 A 42 42 GLN H H 42 7.634 8.036 -0.402 1
1 474 . 5 1 1 A 42 42 GLN HA H 42 4.052 4.406 -0.354 1
1 481 . 5 1 1 A 42 42 GLN C C 42 176.286 175.915 0.371 1
1 482 . 5 1 1 A 42 42 GLN CA C 42 56.859 57.786 -0.927 1
1 483 . 5 1 1 A 42 42 GLN CB C 42 28.418 29.894 -1.476 1
1 485 . 5 1 1 A 42 42 GLN N N 42 114.515 115.220 -0.705 1
1 487 . 5 1 1 A 43 43 TYR H H 43 6.692 7.218 -0.526 1
1 488 . 5 1 1 A 43 43 TYR HA H 43 4.866 4.524 0.342 1
1 495 . 5 1 1 A 43 43 TYR C C 43 177.063 175.439 1.624 1
1 496 . 5 1 1 A 43 43 TYR CA C 43 58.627 59.533 -0.906 1
1 497 . 5 1 1 A 43 43 TYR CB C 43 39.628 39.199 0.429 1
1 502 . 5 1 1 A 43 43 TYR N N 43 116.167 120.494 -4.327 1
1 503 . 5 1 1 A 44 44 THR H H 44 8.785 8.511 0.274 1
1 504 . 5 1 1 A 44 44 THR HA H 44 4.800 4.971 -0.171 1
1 509 . 5 1 1 A 44 44 THR C C 44 176.061 176.529 -0.468 1
1 510 . 5 1 1 A 44 44 THR CA C 44 60.519 60.352 0.167 1
1 511 . 5 1 1 A 44 44 THR CB C 44 71.926 71.736 0.190 1
1 513 . 5 1 1 A 44 44 THR N N 44 116.779 115.448 1.331 1
1 514 . 5 1 1 A 45 45 THR H H 45 8.849 8.856 -0.007 1
1 515 . 5 1 1 A 45 45 THR HA H 45 3.626 3.489 0.137 1
1 520 . 5 1 1 A 45 45 THR C C 45 176.458 176.024 0.434 1
1 521 . 5 1 1 A 45 45 THR CA C 45 65.716 65.295 0.421 1
1 522 . 5 1 1 A 45 45 THR CB C 45 67.141 67.944 -0.803 1
1 524 . 5 1 1 A 45 45 THR N N 45 112.579 114.807 -2.228 1
1 525 . 5 1 1 A 46 46 ILE H H 46 7.144 7.657 -0.513 1
1 526 . 5 1 1 A 46 46 ILE HA H 46 3.803 3.706 0.097 1
1 536 . 5 1 1 A 46 46 ILE C C 46 177.573 178.023 -0.450 1
1 537 . 5 1 1 A 46 46 ILE CA C 46 64.078 65.144 -1.066 1
1 538 . 5 1 1 A 46 46 ILE CB C 46 38.733 37.486 1.247 1
1 542 . 5 1 1 A 46 46 ILE N N 46 119.409 122.882 -3.473 1
1 543 . 5 1 1 A 47 47 GLN H H 47 7.552 7.963 -0.411 1
1 544 . 5 1 1 A 47 47 GLN HA H 47 4.124 3.940 0.184 1
1 551 . 5 1 1 A 47 47 GLN C C 47 179.640 178.795 0.845 1
1 552 . 5 1 1 A 47 47 GLN CA C 47 59.282 58.870 0.412 1
1 553 . 5 1 1 A 47 47 GLN CB C 47 29.242 28.282 0.960 1
1 555 . 5 1 1 A 47 47 GLN N N 47 119.564 118.743 0.821 1
1 557 . 5 1 1 A 48 48 ILE H H 48 8.520 8.062 0.458 1
1 558 . 5 1 1 A 48 48 ILE HA H 48 3.861 3.773 0.088 1
1 568 . 5 1 1 A 48 48 ILE C C 48 177.779 177.960 -0.181 1
1 569 . 5 1 1 A 48 48 ILE CA C 48 61.208 65.284 -4.076 1
1 570 . 5 1 1 A 48 48 ILE CB C 48 34.654 37.683 -3.029 1
1 574 . 5 1 1 A 48 48 ILE N N 48 118.052 120.624 -2.572 1
1 575 . 5 1 1 A 49 49 ALA H H 49 8.826 8.250 0.576 1
1 576 . 5 1 1 A 49 49 ALA HA H 49 4.071 4.096 -0.025 1
1 580 . 5 1 1 A 49 49 ALA C C 49 179.849 180.126 -0.277 1
1 581 . 5 1 1 A 49 49 ALA CA C 49 55.909 55.494 0.415 1
1 582 . 5 1 1 A 49 49 ALA CB C 49 18.289 17.750 0.539 1
1 583 . 5 1 1 A 49 49 ALA N N 49 123.182 121.874 1.308 1
1 584 . 5 1 1 A 50 50 ASN H H 50 8.319 8.182 0.137 1
1 585 . 5 1 1 A 50 50 ASN HA H 50 4.517 4.462 0.055 1
1 590 . 5 1 1 A 50 50 ASN CA C 50 56.309 56.700 -0.391 1
1 591 . 5 1 1 A 50 50 ASN CB C 50 38.198 38.425 -0.227 1
1 592 . 5 1 1 A 50 50 ASN N N 50 116.379 117.538 -1.159 1
1 594 . 5 1 1 A 51 51 MET H H 51 8.233 7.923 0.310 1
1 595 . 5 1 1 A 51 51 MET HA H 51 4.132 4.123 0.009 1
1 603 . 5 1 1 A 51 51 MET CA C 51 59.312 58.031 1.281 1
1 604 . 5 1 1 A 51 51 MET CB C 51 34.763 32.354 2.409 1
1 607 . 5 1 1 A 51 51 MET N N 51 119.934 118.540 1.394 1
1 608 . 5 1 1 A 52 52 MET H H 52 8.926 8.222 0.704 1
1 609 . 5 1 1 A 52 52 MET HA H 52 3.874 4.139 -0.265 1
1 617 . 5 1 1 A 52 52 MET C C 52 177.228 179.043 -1.815 1
1 618 . 5 1 1 A 52 52 MET CA C 52 60.218 58.581 1.637 1
1 619 . 5 1 1 A 52 52 MET CB C 52 33.427 32.669 0.758 1
1 622 . 5 1 1 A 52 52 MET N N 52 120.686 117.656 3.030 1
1 623 . 5 1 1 A 53 53 GLU H H 53 8.111 8.346 -0.235 1
1 624 . 5 1 1 A 53 53 GLU HA H 53 3.863 4.021 -0.158 1
1 629 . 5 1 1 A 53 53 GLU C C 53 177.640 179.534 -1.894 1
1 630 . 5 1 1 A 53 53 GLU CA C 53 59.847 59.715 0.132 1
1 631 . 5 1 1 A 53 53 GLU CB C 53 29.778 29.362 0.416 1
1 633 . 5 1 1 A 53 53 GLU N N 53 119.207 118.604 0.603 1
1 634 . 5 1 1 A 54 54 GLU H H 54 7.030 7.762 -0.732 1
1 635 . 5 1 1 A 54 54 GLU HA H 54 4.014 4.087 -0.073 1
1 640 . 5 1 1 A 54 54 GLU C C 54 178.008 178.887 -0.879 1
1 641 . 5 1 1 A 54 54 GLU CA C 54 58.211 58.819 -0.608 1
1 642 . 5 1 1 A 54 54 GLU CB C 54 30.149 29.971 0.178 1
1 644 . 5 1 1 A 54 54 GLU N N 54 115.049 120.478 -5.429 1
1 645 . 5 1 1 A 55 55 LYS H H 55 7.670 7.979 -0.309 1
1 646 . 5 1 1 A 55 55 LYS HA H 55 3.930 3.810 0.120 1
1 655 . 5 1 1 A 55 55 LYS C C 55 175.986 176.451 -0.465 1
1 656 . 5 1 1 A 55 55 LYS CA C 55 56.405 58.989 -2.584 1
1 657 . 5 1 1 A 55 55 LYS CB C 55 32.705 31.364 1.341 1
1 661 . 5 1 1 A 55 55 LYS N N 55 117.040 120.439 -3.399 1
1 662 . 5 1 1 A 56 56 PHE H H 56 8.079 8.098 -0.019 1
1 663 . 5 1 1 A 56 56 PHE HA H 56 5.215 5.063 0.152 1
1 671 . 5 1 1 A 56 56 PHE CA C 56 53.965 54.935 -0.970 1
1 672 . 5 1 1 A 56 56 PHE CB C 56 38.759 39.229 -0.470 1
1 678 . 5 1 1 A 56 56 PHE N N 56 117.341 116.567 0.774 1
1 679 . 5 1 1 A 57 57 PRO HA H 57 4.514 4.551 -0.037 1
1 686 . 5 1 1 A 57 57 PRO CA C 57 64.818 64.178 0.640 1
1 687 . 5 1 1 A 57 57 PRO CB C 57 32.192 31.820 0.372 1
1 690 . 5 1 1 A 58 58 ALA H H 58 8.619 8.356 0.263 1
1 691 . 5 1 1 A 58 58 ALA HA H 58 4.206 4.179 0.027 1
1 695 . 5 1 1 A 58 58 ALA CA C 58 55.406 55.137 0.269 1
1 696 . 5 1 1 A 58 58 ALA CB C 58 18.353 19.540 -1.187 1
1 697 . 5 1 1 A 58 58 ALA N N 58 120.173 121.193 -1.020 1
1 698 . 5 1 1 A 59 59 ASP H H 59 7.515 8.036 -0.521 1
1 699 . 5 1 1 A 59 59 ASP HA H 59 4.810 4.632 0.178 1
1 702 . 5 1 1 A 59 59 ASP CA C 59 52.659 53.060 -0.401 1
1 703 . 5 1 1 A 59 59 ASP CB C 59 41.778 41.000 0.778 1
1 704 . 5 1 1 A 59 59 ASP N N 59 113.536 114.314 -0.778 1
1 705 . 5 1 1 A 60 60 SER H H 60 8.392 8.750 -0.358 1
1 706 . 5 1 1 A 60 60 SER HA H 60 4.176 4.663 -0.487 1
1 709 . 5 1 1 A 60 60 SER CA C 60 60.221 59.608 0.613 1
1 710 . 5 1 1 A 60 60 SER CB C 60 62.050 61.661 0.389 1
1 711 . 5 1 1 A 60 60 SER N N 60 113.717 111.696 2.021 1
1 712 . 5 1 1 A 61 61 GLY H H 61 8.299 8.284 0.015 1
1 713 . 5 1 1 A 61 61 GLY HA2 H 61 4.005 3.765 0.240 1
1 714 . 5 1 1 A 61 61 GLY HA3 H 61 3.502 4.007 -0.505 1
1 715 . 5 1 1 A 61 61 GLY CA C 61 45.554 45.453 0.101 1
1 716 . 5 1 1 A 61 61 GLY N N 61 104.225 106.186 -1.961 1
1 717 . 5 1 1 A 62 62 LEU H H 62 7.927 7.902 0.025 1
1 718 . 5 1 1 A 62 62 LEU HA H 62 3.915 4.023 -0.108 1
1 728 . 5 1 1 A 62 62 LEU CA C 62 58.075 57.896 0.179 1
1 729 . 5 1 1 A 62 62 LEU CB C 62 41.731 41.834 -0.103 1
1 733 . 5 1 1 A 62 62 LEU N N 62 122.094 122.817 -0.723 1
1 734 . 5 1 1 A 63 63 GLY H H 63 8.566 8.151 0.415 1
1 735 . 5 1 1 A 63 63 GLY HA2 H 63 3.847 3.711 0.136 1
1 736 . 5 1 1 A 63 63 GLY HA3 H 63 3.592 3.737 -0.145 1
1 737 . 5 1 1 A 63 63 GLY CA C 63 47.146 47.206 -0.060 1
1 738 . 5 1 1 A 63 63 GLY N N 63 105.732 106.357 -0.625 1
1 739 . 5 1 1 A 64 64 LYS H H 64 7.509 8.166 -0.657 1
1 740 . 5 1 1 A 64 64 LYS HA H 64 4.115 4.004 0.111 1
1 749 . 5 1 1 A 64 64 LYS C C 64 179.856 178.936 0.920 1
1 750 . 5 1 1 A 64 64 LYS CA C 64 57.768 59.253 -1.485 1
1 751 . 5 1 1 A 64 64 LYS CB C 64 31.542 32.084 -0.542 1
1 755 . 5 1 1 A 64 64 LYS N N 64 120.697 121.963 -1.266 1
1 756 . 5 1 1 A 65 65 LEU H H 65 7.544 7.875 -0.331 1
1 757 . 5 1 1 A 65 65 LEU HA H 65 4.219 3.678 0.541 1
1 767 . 5 1 1 A 65 65 LEU C C 65 178.606 178.453 0.153 1
1 768 . 5 1 1 A 65 65 LEU CA C 65 57.675 57.899 -0.224 1
1 769 . 5 1 1 A 65 65 LEU CB C 65 41.040 41.583 -0.543 1
1 773 . 5 1 1 A 65 65 LEU N N 65 120.399 120.672 -0.273 1
1 774 . 5 1 1 A 66 66 ILE H H 66 8.605 8.266 0.339 1
1 775 . 5 1 1 A 66 66 ILE HA H 66 3.271 3.492 -0.221 1
1 785 . 5 1 1 A 66 66 ILE C C 66 176.721 177.685 -0.964 1
1 786 . 5 1 1 A 66 66 ILE CA C 66 67.612 65.762 1.850 1
1 787 . 5 1 1 A 66 66 ILE CB C 66 38.006 37.810 0.196 1
1 791 . 5 1 1 A 66 66 ILE N N 66 121.170 120.292 0.878 1
1 792 . 5 1 1 A 67 67 GLU H H 67 8.157 8.196 -0.039 1
1 793 . 5 1 1 A 67 67 GLU HA H 67 4.007 3.973 0.034 1
1 798 . 5 1 1 A 67 67 GLU C C 67 178.848 179.241 -0.393 1
1 799 . 5 1 1 A 67 67 GLU CA C 67 59.476 59.773 -0.297 1
1 800 . 5 1 1 A 67 67 GLU CB C 67 30.055 29.562 0.493 1
1 802 . 5 1 1 A 67 67 GLU N N 67 118.066 119.527 -1.461 1
1 803 . 5 1 1 A 68 68 PHE H H 68 7.673 8.074 -0.401 1
1 804 . 5 1 1 A 68 68 PHE HA H 68 4.393 4.575 -0.182 1
1 812 . 5 1 1 A 68 68 PHE C C 68 176.609 177.443 -0.834 1
1 813 . 5 1 1 A 68 68 PHE CA C 68 60.660 61.586 -0.926 1
1 814 . 5 1 1 A 68 68 PHE CB C 68 39.666 39.493 0.173 1
1 820 . 5 1 1 A 68 68 PHE N N 68 119.383 121.367 -1.984 1
1 821 . 5 1 1 A 69 69 CYS H H 69 8.137 8.334 -0.197 1
1 822 . 5 1 1 A 69 69 CYS HA H 69 3.714 4.241 -0.527 1
1 825 . 5 1 1 A 69 69 CYS C C 69 175.221 176.668 -1.447 1
1 826 . 5 1 1 A 69 69 CYS CA C 69 62.782 61.466 1.316 1
1 827 . 5 1 1 A 69 69 CYS CB C 69 26.732 27.267 -0.535 1
1 828 . 5 1 1 A 69 69 CYS N N 69 115.218 116.877 -1.659 1
1 829 . 5 1 1 A 70 70 GLU H H 70 8.108 7.807 0.301 1
1 830 . 5 1 1 A 70 70 GLU HA H 70 3.739 4.123 -0.384 1
1 835 . 5 1 1 A 70 70 GLU C C 70 178.404 179.248 -0.844 1
1 836 . 5 1 1 A 70 70 GLU CA C 70 58.839 59.025 -0.186 1
1 837 . 5 1 1 A 70 70 GLU CB C 70 30.149 29.323 0.826 1
1 839 . 5 1 1 A 70 70 GLU N N 70 113.937 120.812 -6.875 1
1 840 . 5 1 1 A 71 71 GLU H H 71 7.306 8.243 -0.937 1
1 841 . 5 1 1 A 71 71 GLU HA H 71 4.148 4.145 0.003 1
1 846 . 5 1 1 A 71 71 GLU C C 71 176.363 176.106 0.257 1
1 847 . 5 1 1 A 71 71 GLU CA C 71 56.943 58.213 -1.270 1
1 848 . 5 1 1 A 71 71 GLU CB C 71 30.374 28.778 1.596 1
1 850 . 5 1 1 A 71 71 GLU N N 71 117.591 117.223 0.368 1
1 851 . 5 1 1 A 72 72 VAL H H 72 7.055 7.520 -0.465 1
1 852 . 5 1 1 A 72 72 VAL HA H 72 4.220 4.326 -0.106 1
1 860 . 5 1 1 A 72 72 VAL C C 72 174.906 175.590 -0.684 1
1 861 . 5 1 1 A 72 72 VAL CA C 72 59.360 58.188 1.172 1
1 862 . 5 1 1 A 72 72 VAL CB C 72 33.462 34.146 -0.684 1
1 865 . 5 1 1 A 72 72 VAL N N 72 122.531 121.579 0.952 1
1 866 . 5 1 1 A 73 73 PRO HA H 73 3.887 4.476 -0.589 1
1 873 . 5 1 1 A 73 73 PRO C C 73 179.162 177.310 1.852 1
1 874 . 5 1 1 A 73 73 PRO CA C 73 66.658 64.299 2.359 1
1 875 . 5 1 1 A 73 73 PRO CB C 73 31.819 31.819 0.000 1
1 878 . 5 1 1 A 74 74 ALA H H 74 8.188 8.225 -0.037 1
1 879 . 5 1 1 A 74 74 ALA HA H 74 4.217 4.274 -0.057 1
1 883 . 5 1 1 A 74 74 ALA C C 74 178.535 178.498 0.037 1
1 884 . 5 1 1 A 74 74 ALA CA C 74 54.149 53.596 0.553 1
1 885 . 5 1 1 A 74 74 ALA CB C 74 19.305 19.582 -0.277 1
1 886 . 5 1 1 A 74 74 ALA N N 74 116.317 119.919 -3.602 1
1 887 . 5 1 1 A 75 75 LEU H H 75 8.188 7.635 0.553 1
1 888 . 5 1 1 A 75 75 LEU HA H 75 4.607 4.081 0.526 1
1 898 . 5 1 1 A 75 75 LEU C C 75 177.094 178.283 -1.189 1
1 899 . 5 1 1 A 75 75 LEU CA C 75 53.645 55.723 -2.078 1
1 900 . 5 1 1 A 75 75 LEU CB C 75 42.633 42.113 0.520 1
1 904 . 5 1 1 A 75 75 LEU N N 75 116.296 117.394 -1.098 1
1 905 . 5 1 1 A 76 76 ARG H H 76 7.332 8.245 -0.913 1
1 906 . 5 1 1 A 76 76 ARG HA H 76 3.789 3.861 -0.072 1
1 913 . 5 1 1 A 76 76 ARG C C 76 179.457 178.819 0.638 1
1 914 . 5 1 1 A 76 76 ARG CA C 76 60.815 60.147 0.668 1
1 915 . 5 1 1 A 76 76 ARG CB C 76 29.535 29.975 -0.440 1
1 918 . 5 1 1 A 76 76 ARG N N 76 122.654 119.287 3.367 1
1 919 . 5 1 1 A 77 77 LYS H H 77 8.489 8.063 0.426 1
1 920 . 5 1 1 A 77 77 LYS HA H 77 4.118 3.981 0.137 1
1 929 . 5 1 1 A 77 77 LYS C C 77 179.135 178.973 0.162 1
1 930 . 5 1 1 A 77 77 LYS CA C 77 58.963 59.539 -0.576 1
1 931 . 5 1 1 A 77 77 LYS CB C 77 31.113 32.292 -1.179 1
1 935 . 5 1 1 A 77 77 LYS N N 77 119.343 119.808 -0.465 1
1 936 . 5 1 1 A 78 78 ARG H H 78 7.626 7.824 -0.198 1
1 937 . 5 1 1 A 78 78 ARG HA H 78 3.931 4.055 -0.124 1
1 944 . 5 1 1 A 78 78 ARG C C 78 178.200 179.094 -0.894 1
1 945 . 5 1 1 A 78 78 ARG CA C 78 56.415 59.092 -2.677 1
1 946 . 5 1 1 A 78 78 ARG CB C 78 27.010 29.942 -2.932 1
1 949 . 5 1 1 A 78 78 ARG N N 78 120.202 119.166 1.036 1
1 950 . 5 1 1 A 79 79 ALA H H 79 8.138 8.003 0.135 1
1 951 . 5 1 1 A 79 79 ALA HA H 79 3.837 4.059 -0.222 1
1 955 . 5 1 1 A 79 79 ALA C C 79 178.684 179.657 -0.973 1
1 956 . 5 1 1 A 79 79 ALA CA C 79 55.692 55.112 0.580 1
1 957 . 5 1 1 A 79 79 ALA CB C 79 18.376 18.531 -0.155 1
1 958 . 5 1 1 A 79 79 ALA N N 79 120.388 121.995 -1.607 1
1 959 . 5 1 1 A 80 80 GLU H H 80 7.437 7.983 -0.546 1
1 960 . 5 1 1 A 80 80 GLU HA H 80 3.877 4.109 -0.232 1
1 965 . 5 1 1 A 80 80 GLU C C 80 179.640 178.578 1.062 1
1 966 . 5 1 1 A 80 80 GLU CA C 80 59.370 58.932 0.438 1
1 967 . 5 1 1 A 80 80 GLU CB C 80 29.445 29.083 0.362 1
1 969 . 5 1 1 A 80 80 GLU N N 80 115.384 116.576 -1.192 1
1 970 . 5 1 1 A 81 81 ILE H H 81 7.721 7.469 0.252 1
1 971 . 5 1 1 A 81 81 ILE HA H 81 3.675 3.700 -0.025 1
1 981 . 5 1 1 A 81 81 ILE C C 81 178.179 178.437 -0.258 1
1 982 . 5 1 1 A 81 81 ILE CA C 81 65.187 65.189 -0.002 1
1 983 . 5 1 1 A 81 81 ILE CB C 81 38.471 38.093 0.378 1
1 987 . 5 1 1 A 81 81 ILE N N 81 121.563 121.184 0.379 1
1 988 . 5 1 1 A 82 82 LEU H H 82 8.374 8.411 -0.037 1
1 989 . 5 1 1 A 82 82 LEU HA H 82 3.930 3.950 -0.020 1
1 999 . 5 1 1 A 82 82 LEU C C 82 179.279 179.246 0.033 1
1 1000 . 5 1 1 A 82 82 LEU CA C 82 58.038 57.270 0.768 1
1 1001 . 5 1 1 A 82 82 LEU CB C 82 42.869 41.409 1.460 1
1 1005 . 5 1 1 A 82 82 LEU N N 82 119.839 120.523 -0.684 1
1 1006 . 5 1 1 A 83 83 LYS H H 83 8.153 7.982 0.171 1
1 1007 . 5 1 1 A 83 83 LYS HA H 83 3.740 4.024 -0.284 1
1 1016 . 5 1 1 A 83 83 LYS C C 83 179.548 179.537 0.011 1
1 1017 . 5 1 1 A 83 83 LYS CA C 83 60.433 59.830 0.603 1
1 1018 . 5 1 1 A 83 83 LYS CB C 83 32.703 32.085 0.618 1
1 1022 . 5 1 1 A 83 83 LYS N N 83 117.092 118.816 -1.724 1
1 1023 . 5 1 1 A 84 84 LYS H H 84 7.705 7.924 -0.219 1
1 1024 . 5 1 1 A 84 84 LYS HA H 84 4.101 3.962 0.139 1
1 1033 . 5 1 1 A 84 84 LYS C C 84 179.082 178.628 0.454 1
1 1034 . 5 1 1 A 84 84 LYS CA C 84 59.120 59.279 -0.159 1
1 1035 . 5 1 1 A 84 84 LYS CB C 84 32.291 32.134 0.157 1
1 1039 . 5 1 1 A 84 84 LYS N N 84 121.473 120.358 1.115 1
1 1040 . 5 1 1 A 85 85 GLU H H 85 8.567 7.544 1.023 1
1 1041 . 5 1 1 A 85 85 GLU HA H 85 4.013 4.197 -0.184 1
1 1046 . 5 1 1 A 85 85 GLU CA C 85 59.360 58.802 0.558 1
1 1047 . 5 1 1 A 85 85 GLU CB C 85 30.033 29.987 0.046 1
1 1049 . 5 1 1 A 85 85 GLU N N 85 119.645 118.781 0.864 1
1 1050 . 5 1 1 A 86 86 ARG H H 86 8.467 8.184 0.283 1
1 1051 . 5 1 1 A 86 86 ARG HA H 86 4.030 4.120 -0.090 1
1 1058 . 5 1 1 A 86 86 ARG C C 86 177.790 175.312 2.478 1
1 1059 . 5 1 1 A 86 86 ARG CA C 86 58.556 58.907 -0.351 1
1 1060 . 5 1 1 A 86 86 ARG CB C 86 30.377 29.848 0.529 1
1 1063 . 5 1 1 A 86 86 ARG N N 86 119.408 121.179 -1.771 1
1 1064 . 5 1 1 A 87 87 SER H H 87 7.851 7.882 -0.031 1
1 1065 . 5 1 1 A 87 87 SER HA H 87 4.369 4.945 -0.576 1
1 1068 . 5 1 1 A 87 87 SER C C 87 175.282 173.981 1.301 1
1 1069 . 5 1 1 A 87 87 SER CA C 87 60.271 57.633 2.638 1
1 1070 . 5 1 1 A 87 87 SER CB C 87 63.601 65.121 -1.520 1
1 1071 . 5 1 1 A 87 87 SER N N 87 115.071 111.567 3.504 1
1 1072 . 5 1 1 A 88 88 GLU H H 88 7.891 8.747 -0.856 1
1 1073 . 5 1 1 A 88 88 GLU HA H 88 4.316 4.362 -0.046 1
1 1078 . 5 1 1 A 88 88 GLU C C 88 176.801 178.005 -1.204 1
1 1079 . 5 1 1 A 88 88 GLU CA C 88 57.036 58.571 -1.535 1
1 1080 . 5 1 1 A 88 88 GLU CB C 88 30.024 30.687 -0.663 1
1 1082 . 5 1 1 A 88 88 GLU N N 88 121.067 122.409 -1.342 1
1 1083 . 5 1 1 A 89 89 SER H H 89 7.934 7.649 0.285 1
1 1084 . 5 1 1 A 89 89 SER HA H 89 4.503 4.546 -0.043 1
1 1087 . 5 1 1 A 89 89 SER C C 89 174.624 175.415 -0.791 1
1 1088 . 5 1 1 A 89 89 SER CA C 89 58.875 59.955 -1.080 1
1 1089 . 5 1 1 A 89 89 SER CB C 89 64.040 64.589 -0.549 1
1 1090 . 5 1 1 A 89 89 SER N N 89 115.241 113.368 1.873 1
1 1091 . 5 1 1 A 90 90 GLY H H 90 8.062 8.038 0.024 1
1 1092 . 5 1 1 A 90 90 GLY HA2 H 90 4.210 4.017 0.193 1
1 1093 . 5 1 1 A 90 90 GLY HA3 H 90 4.083 4.017 0.066 1
1 1094 . 5 1 1 A 90 90 GLY C C 90 171.774 174.560 -2.786 1
1 1095 . 5 1 1 A 90 90 GLY CA C 90 44.872 45.269 -0.397 1
1 1096 . 5 1 1 A 90 90 GLY N N 90 110.384 108.461 1.923 1
1 1097 . 5 1 1 A 91 91 PRO HA H 91 4.495 4.529 -0.034 1
1 1104 . 5 1 1 A 91 91 PRO C C 91 177.475 176.743 0.732 1
1 1105 . 5 1 1 A 91 91 PRO CA C 91 63.295 63.938 -0.643 1
1 1106 . 5 1 1 A 91 91 PRO CB C 91 32.234 31.941 0.293 1
1 1109 . 5 1 1 A 92 92 SER H H 92 8.557 7.727 0.830 1
1 1110 . 5 1 1 A 92 92 SER HA H 92 4.575 4.251 0.324 1
1 1113 . 5 1 1 A 92 92 SER C C 92 174.736 173.147 1.589 1
1 1114 . 5 1 1 A 92 92 SER CA C 92 58.380 58.790 -0.410 1
1 1115 . 5 1 1 A 92 92 SER CB C 92 64.221 63.239 0.982 1
1 1 . 6 1 1 A 6 6 SER H H 6 8.063 8.680 -0.617 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.493 4.428 0.065 1
1 5 . 6 1 1 A 6 6 SER CA C 6 59.071 57.535 1.536 1
1 6 . 6 1 1 A 6 6 SER CB C 6 63.626 62.713 0.913 1
1 7 . 6 1 1 A 7 7 GLY H H 7 8.424 8.188 0.236 1
1 8 . 6 1 1 A 7 7 GLY HA2 H 7 3.985 3.863 0.122 1
1 9 . 6 1 1 A 7 7 GLY HA3 H 7 3.834 3.863 -0.029 1
1 10 . 6 1 1 A 7 7 GLY CA C 7 47.092 46.613 0.479 1
1 11 . 6 1 1 A 7 7 GLY N N 7 109.548 110.165 -0.617 1
1 12 . 6 1 1 A 8 8 ILE H H 8 7.565 7.712 -0.147 1
1 13 . 6 1 1 A 8 8 ILE HA H 8 3.883 4.667 -0.784 1
1 23 . 6 1 1 A 8 8 ILE CA C 8 63.805 59.728 4.077 1
1 24 . 6 1 1 A 8 8 ILE CB C 8 37.866 39.841 -1.975 1
1 28 . 6 1 1 A 8 8 ILE N N 8 123.348 119.801 3.547 1
1 29 . 6 1 1 A 9 9 VAL H H 9 7.538 8.510 -0.972 1
1 30 . 6 1 1 A 9 9 VAL HA H 9 3.471 4.921 -1.450 1
1 38 . 6 1 1 A 9 9 VAL CA C 9 66.382 59.461 6.921 1
1 39 . 6 1 1 A 9 9 VAL CB C 9 31.755 34.642 -2.887 1
1 42 . 6 1 1 A 9 9 VAL N N 9 121.471 124.566 -3.095 1
1 43 . 6 1 1 A 10 10 LEU H H 10 7.941 8.974 -1.033 1
1 44 . 6 1 1 A 10 10 LEU HA H 10 3.848 3.888 -0.040 1
1 54 . 6 1 1 A 10 10 LEU CA C 10 58.619 57.833 0.786 1
1 55 . 6 1 1 A 10 10 LEU CB C 10 41.377 41.576 -0.199 1
1 59 . 6 1 1 A 10 10 LEU N N 10 119.521 130.097 -10.576 1
1 60 . 6 1 1 A 11 11 LEU H H 11 8.207 8.127 0.080 1
1 61 . 6 1 1 A 11 11 LEU HA H 11 3.792 4.083 -0.291 1
1 71 . 6 1 1 A 11 11 LEU CA C 11 58.241 58.286 -0.045 1
1 72 . 6 1 1 A 11 11 LEU CB C 11 41.790 41.449 0.341 1
1 76 . 6 1 1 A 11 11 LEU N N 11 119.938 120.240 -0.302 1
1 77 . 6 1 1 A 12 12 ARG H H 12 7.904 8.397 -0.493 1
1 78 . 6 1 1 A 12 12 ARG HA H 12 3.966 3.889 0.077 1
1 85 . 6 1 1 A 12 12 ARG CA C 12 59.301 59.768 -0.467 1
1 86 . 6 1 1 A 12 12 ARG CB C 12 30.132 30.181 -0.049 1
1 89 . 6 1 1 A 12 12 ARG N N 12 116.799 119.591 -2.792 1
1 90 . 6 1 1 A 13 13 GLY H H 13 8.190 8.350 -0.160 1
1 91 . 6 1 1 A 13 13 GLY HA2 H 13 3.740 3.882 -0.142 1
1 92 . 6 1 1 A 13 13 GLY HA3 H 13 3.437 3.893 -0.456 1
1 93 . 6 1 1 A 13 13 GLY CA C 13 47.988 46.913 1.075 1
1 94 . 6 1 1 A 13 13 GLY N N 13 107.618 106.614 1.004 1
1 95 . 6 1 1 A 14 14 LEU H H 14 8.515 7.841 0.674 1
1 96 . 6 1 1 A 14 14 LEU HA H 14 3.785 4.040 -0.255 1
1 106 . 6 1 1 A 14 14 LEU C C 14 178.232 178.311 -0.079 1
1 107 . 6 1 1 A 14 14 LEU CA C 14 57.401 57.543 -0.142 1
1 108 . 6 1 1 A 14 14 LEU CB C 14 41.981 41.630 0.351 1
1 112 . 6 1 1 A 14 14 LEU N N 14 120.161 121.932 -1.771 1
1 113 . 6 1 1 A 15 15 GLU H H 15 7.931 8.382 -0.451 1
1 114 . 6 1 1 A 15 15 GLU HA H 15 4.030 3.839 0.191 1
1 119 . 6 1 1 A 15 15 GLU CA C 15 57.961 59.201 -1.240 1
1 120 . 6 1 1 A 15 15 GLU CB C 15 30.140 29.699 0.441 1
1 122 . 6 1 1 A 15 15 GLU N N 15 114.703 118.282 -3.579 1
1 123 . 6 1 1 A 16 16 CYS H H 16 7.612 7.842 -0.230 1
1 124 . 6 1 1 A 16 16 CYS HA H 16 4.457 4.136 0.321 1
1 127 . 6 1 1 A 16 16 CYS CA C 16 60.982 62.142 -1.160 1
1 128 . 6 1 1 A 16 16 CYS CB C 16 27.917 27.092 0.825 1
1 129 . 6 1 1 A 16 16 CYS N N 16 114.695 118.677 -3.982 1
1 130 . 6 1 1 A 17 17 ILE H H 17 7.142 7.564 -0.422 1
1 131 . 6 1 1 A 17 17 ILE HA H 17 4.533 4.285 0.248 1
1 141 . 6 1 1 A 17 17 ILE CA C 17 61.521 61.154 0.367 1
1 142 . 6 1 1 A 17 17 ILE CB C 17 39.206 38.776 0.430 1
1 146 . 6 1 1 A 17 17 ILE N N 17 115.031 117.204 -2.173 1
1 147 . 6 1 1 A 18 18 ASN H H 18 8.325 8.829 -0.504 1
1 148 . 6 1 1 A 18 18 ASN HA H 18 4.575 4.778 -0.203 1
1 153 . 6 1 1 A 18 18 ASN C C 18 175.171 176.858 -1.687 1
1 154 . 6 1 1 A 18 18 ASN CA C 18 53.278 53.825 -0.547 1
1 155 . 6 1 1 A 18 18 ASN CB C 18 38.419 39.355 -0.936 1
1 156 . 6 1 1 A 18 18 ASN N N 18 119.943 123.277 -3.334 1
1 158 . 6 1 1 A 19 19 LYS H H 19 8.514 9.023 -0.509 1
1 159 . 6 1 1 A 19 19 LYS HA H 19 4.242 4.139 0.103 1
1 168 . 6 1 1 A 19 19 LYS C C 19 178.868 177.922 0.946 1
1 169 . 6 1 1 A 19 19 LYS CA C 19 60.006 59.127 0.879 1
1 170 . 6 1 1 A 19 19 LYS CB C 19 32.291 32.306 -0.015 1
1 174 . 6 1 1 A 19 19 LYS N N 19 118.191 123.784 -5.593 1
1 175 . 6 1 1 A 20 20 HIS H H 20 8.328 8.277 0.051 1
1 176 . 6 1 1 A 20 20 HIS HA H 20 4.371 4.270 0.101 1
1 181 . 6 1 1 A 20 20 HIS C C 20 178.335 176.789 1.546 1
1 182 . 6 1 1 A 20 20 HIS CA C 20 59.785 59.270 0.515 1
1 183 . 6 1 1 A 20 20 HIS CB C 20 29.879 30.003 -0.124 1
1 186 . 6 1 1 A 20 20 HIS N N 20 120.900 119.460 1.440 1
1 187 . 6 1 1 A 21 21 TYR H H 21 8.464 8.113 0.351 1
1 188 . 6 1 1 A 21 21 TYR HA H 21 4.540 4.198 0.342 1
1 195 . 6 1 1 A 21 21 TYR C C 21 178.222 178.570 -0.348 1
1 196 . 6 1 1 A 21 21 TYR CA C 21 61.863 61.555 0.308 1
1 197 . 6 1 1 A 21 21 TYR CB C 21 38.012 38.688 -0.676 1
1 202 . 6 1 1 A 21 21 TYR N N 21 118.132 117.217 0.915 1
1 203 . 6 1 1 A 22 22 PHE H H 22 9.095 8.328 0.767 1
1 204 . 6 1 1 A 22 22 PHE HA H 22 4.616 4.131 0.485 1
1 212 . 6 1 1 A 22 22 PHE C C 22 177.409 177.334 0.075 1
1 213 . 6 1 1 A 22 22 PHE CA C 22 59.761 61.664 -1.903 1
1 214 . 6 1 1 A 22 22 PHE CB C 22 38.982 39.054 -0.072 1
1 220 . 6 1 1 A 22 22 PHE N N 22 121.771 120.755 1.016 1
1 221 . 6 1 1 A 23 23 SER H H 23 8.400 8.200 0.200 1
1 222 . 6 1 1 A 23 23 SER HA H 23 3.785 3.929 -0.144 1
1 225 . 6 1 1 A 23 23 SER C C 23 177.318 176.969 0.349 1
1 226 . 6 1 1 A 23 23 SER CA C 23 62.453 61.121 1.332 1
1 227 . 6 1 1 A 23 23 SER CB C 23 62.279 63.004 -0.725 1
1 228 . 6 1 1 A 23 23 SER N N 23 115.511 113.948 1.563 1
1 229 . 6 1 1 A 24 24 LEU H H 24 7.737 7.954 -0.217 1
1 230 . 6 1 1 A 24 24 LEU HA H 24 4.118 4.060 0.058 1
1 240 . 6 1 1 A 24 24 LEU C C 24 178.956 179.202 -0.246 1
1 241 . 6 1 1 A 24 24 LEU CA C 24 57.992 57.759 0.233 1
1 242 . 6 1 1 A 24 24 LEU CB C 24 42.066 42.394 -0.328 1
1 246 . 6 1 1 A 24 24 LEU N N 24 123.378 122.264 1.114 1
1 247 . 6 1 1 A 25 25 PHE H H 25 8.643 7.794 0.849 1
1 248 . 6 1 1 A 25 25 PHE HA H 25 3.475 3.489 -0.014 1
1 256 . 6 1 1 A 25 25 PHE C C 25 176.905 177.446 -0.541 1
1 257 . 6 1 1 A 25 25 PHE CA C 25 61.196 61.192 0.004 1
1 258 . 6 1 1 A 25 25 PHE CB C 25 38.741 38.761 -0.020 1
1 264 . 6 1 1 A 25 25 PHE N N 25 122.640 118.942 3.698 1
1 265 . 6 1 1 A 26 26 LYS H H 26 8.022 7.822 0.200 1
1 266 . 6 1 1 A 26 26 LYS HA H 26 3.197 3.662 -0.465 1
1 275 . 6 1 1 A 26 26 LYS C C 26 177.424 179.169 -1.745 1
1 276 . 6 1 1 A 26 26 LYS CA C 26 61.439 60.275 1.164 1
1 277 . 6 1 1 A 26 26 LYS CB C 26 32.363 31.769 0.594 1
1 281 . 6 1 1 A 26 26 LYS N N 26 116.023 117.752 -1.729 1
1 282 . 6 1 1 A 27 27 SER H H 27 7.473 7.313 0.160 1
1 283 . 6 1 1 A 27 27 SER HA H 27 4.134 4.204 -0.070 1
1 286 . 6 1 1 A 27 27 SER C C 27 177.449 176.872 0.577 1
1 287 . 6 1 1 A 27 27 SER CA C 27 61.544 60.966 0.578 1
1 288 . 6 1 1 A 27 27 SER CB C 27 62.828 62.881 -0.053 1
1 289 . 6 1 1 A 27 27 SER N N 27 111.668 115.055 -3.387 1
1 290 . 6 1 1 A 28 28 LEU H H 28 7.625 7.396 0.229 1
1 291 . 6 1 1 A 28 28 LEU HA H 28 4.117 4.044 0.073 1
1 301 . 6 1 1 A 28 28 LEU C C 28 179.076 178.494 0.582 1
1 302 . 6 1 1 A 28 28 LEU CA C 28 57.336 57.195 0.141 1
1 303 . 6 1 1 A 28 28 LEU CB C 28 41.585 41.617 -0.032 1
1 307 . 6 1 1 A 28 28 LEU N N 28 123.121 122.079 1.042 1
1 308 . 6 1 1 A 29 29 LEU H H 29 7.391 7.259 0.132 1
1 309 . 6 1 1 A 29 29 LEU HA H 29 4.276 4.133 0.143 1
1 319 . 6 1 1 A 29 29 LEU C C 29 177.606 177.872 -0.266 1
1 320 . 6 1 1 A 29 29 LEU CA C 29 54.243 55.870 -1.627 1
1 321 . 6 1 1 A 29 29 LEU CB C 29 41.665 42.187 -0.522 1
1 325 . 6 1 1 A 29 29 LEU N N 29 119.910 118.388 1.522 1
1 326 . 6 1 1 A 30 30 ALA H H 30 7.242 8.316 -1.074 1
1 327 . 6 1 1 A 30 30 ALA HA H 30 3.505 3.947 -0.442 1
1 331 . 6 1 1 A 30 30 ALA C C 30 179.568 179.687 -0.119 1
1 332 . 6 1 1 A 30 30 ALA CA C 30 56.470 55.402 1.068 1
1 333 . 6 1 1 A 30 30 ALA CB C 30 18.818 18.700 0.118 1
1 334 . 6 1 1 A 30 30 ALA N N 30 122.470 121.620 0.850 1
1 335 . 6 1 1 A 31 31 ARG H H 31 8.256 7.947 0.309 1
1 336 . 6 1 1 A 31 31 ARG HA H 31 4.142 4.052 0.090 1
1 343 . 6 1 1 A 31 31 ARG C C 31 179.303 178.418 0.885 1
1 344 . 6 1 1 A 31 31 ARG CA C 31 58.917 59.073 -0.156 1
1 345 . 6 1 1 A 31 31 ARG CB C 31 29.407 29.992 -0.585 1
1 348 . 6 1 1 A 31 31 ARG N N 31 116.240 116.955 -0.715 1
1 349 . 6 1 1 A 32 32 ASP H H 32 8.205 7.998 0.207 1
1 350 . 6 1 1 A 32 32 ASP HA H 32 4.334 4.448 -0.114 1
1 353 . 6 1 1 A 32 32 ASP C C 32 177.470 178.375 -0.905 1
1 354 . 6 1 1 A 32 32 ASP CA C 32 57.336 57.136 0.200 1
1 355 . 6 1 1 A 32 32 ASP CB C 32 41.582 40.775 0.807 1
1 356 . 6 1 1 A 32 32 ASP N N 32 120.398 119.895 0.503 1
1 357 . 6 1 1 A 33 33 LEU H H 33 7.933 8.254 -0.321 1
1 358 . 6 1 1 A 33 33 LEU HA H 33 4.206 4.209 -0.003 1
1 368 . 6 1 1 A 33 33 LEU C C 33 175.261 176.282 -1.021 1
1 369 . 6 1 1 A 33 33 LEU CA C 33 53.700 55.009 -1.309 1
1 370 . 6 1 1 A 33 33 LEU CB C 33 41.306 42.040 -0.734 1
1 374 . 6 1 1 A 33 33 LEU N N 33 113.338 117.578 -4.240 1
1 375 . 6 1 1 A 34 34 ASN H H 34 7.688 8.165 -0.477 1
1 376 . 6 1 1 A 34 34 ASN HA H 34 4.307 4.754 -0.447 1
1 381 . 6 1 1 A 34 34 ASN C C 34 175.092 174.702 0.390 1
1 382 . 6 1 1 A 34 34 ASN CA C 34 53.960 53.950 0.010 1
1 383 . 6 1 1 A 34 34 ASN CB C 34 37.073 36.151 0.922 1
1 384 . 6 1 1 A 34 34 ASN N N 34 116.912 116.842 0.070 1
1 386 . 6 1 1 A 35 35 LEU H H 35 8.177 7.843 0.334 1
1 387 . 6 1 1 A 35 35 LEU HA H 35 4.008 4.354 -0.346 1
1 397 . 6 1 1 A 35 35 LEU C C 35 177.637 177.188 0.449 1
1 398 . 6 1 1 A 35 35 LEU CA C 35 54.233 54.972 -0.739 1
1 399 . 6 1 1 A 35 35 LEU CB C 35 41.024 42.576 -1.552 1
1 403 . 6 1 1 A 35 35 LEU N N 35 115.363 120.562 -5.199 1
1 404 . 6 1 1 A 36 36 GLU H H 36 8.419 8.934 -0.515 1
1 405 . 6 1 1 A 36 36 GLU HA H 36 4.175 4.517 -0.342 1
1 410 . 6 1 1 A 36 36 GLU C C 36 177.626 177.772 -0.146 1
1 411 . 6 1 1 A 36 36 GLU CA C 36 56.872 55.917 0.955 1
1 412 . 6 1 1 A 36 36 GLU CB C 36 29.675 30.948 -1.273 1
1 414 . 6 1 1 A 36 36 GLU N N 36 122.591 119.796 2.795 1
1 415 . 6 1 1 A 37 37 ARG H H 37 8.577 8.758 -0.181 1
1 416 . 6 1 1 A 37 37 ARG HA H 37 3.889 4.393 -0.504 1
1 423 . 6 1 1 A 37 37 ARG C C 37 178.119 177.234 0.885 1
1 424 . 6 1 1 A 37 37 ARG CA C 37 58.924 57.974 0.950 1
1 425 . 6 1 1 A 37 37 ARG CB C 37 30.074 31.081 -1.007 1
1 428 . 6 1 1 A 37 37 ARG N N 37 124.790 122.207 2.583 1
1 429 . 6 1 1 A 38 38 ASP H H 38 8.623 8.169 0.454 1
1 430 . 6 1 1 A 38 38 ASP HA H 38 4.591 4.789 -0.198 1
1 433 . 6 1 1 A 38 38 ASP C C 38 176.021 176.170 -0.149 1
1 434 . 6 1 1 A 38 38 ASP CA C 38 55.073 53.844 1.229 1
1 435 . 6 1 1 A 38 38 ASP CB C 38 40.722 42.107 -1.385 1
1 436 . 6 1 1 A 38 38 ASP N N 38 116.313 115.419 0.894 1
1 437 . 6 1 1 A 39 39 ASN H H 39 7.668 7.922 -0.254 1
1 438 . 6 1 1 A 39 39 ASN HA H 39 4.936 4.863 0.073 1
1 443 . 6 1 1 A 39 39 ASN C C 39 175.702 175.866 -0.164 1
1 444 . 6 1 1 A 39 39 ASN CA C 39 52.626 51.888 0.738 1
1 445 . 6 1 1 A 39 39 ASN CB C 39 38.966 38.850 0.116 1
1 446 . 6 1 1 A 39 39 ASN N N 39 116.330 119.318 -2.988 1
1 448 . 6 1 1 A 40 40 GLN H H 40 8.324 7.967 0.357 1
1 449 . 6 1 1 A 40 40 GLN HA H 40 4.285 4.393 -0.108 1
1 456 . 6 1 1 A 40 40 GLN C C 40 178.897 178.019 0.878 1
1 457 . 6 1 1 A 40 40 GLN CA C 40 58.513 57.531 0.982 1
1 458 . 6 1 1 A 40 40 GLN CB C 40 29.225 29.006 0.219 1
1 460 . 6 1 1 A 40 40 GLN N N 40 119.556 121.685 -2.129 1
1 462 . 6 1 1 A 41 41 GLU H H 41 8.956 8.103 0.853 1
1 463 . 6 1 1 A 41 41 GLU HA H 41 3.950 4.169 -0.219 1
1 468 . 6 1 1 A 41 41 GLU C C 41 176.712 179.012 -2.300 1
1 469 . 6 1 1 A 41 41 GLU CA C 41 58.716 59.072 -0.356 1
1 470 . 6 1 1 A 41 41 GLU CB C 41 29.124 29.871 -0.747 1
1 472 . 6 1 1 A 41 41 GLU N N 41 121.919 119.866 2.053 1
1 473 . 6 1 1 A 42 42 GLN H H 42 7.634 7.992 -0.358 1
1 474 . 6 1 1 A 42 42 GLN HA H 42 4.052 4.126 -0.074 1
1 481 . 6 1 1 A 42 42 GLN C C 42 176.286 176.315 -0.029 1
1 482 . 6 1 1 A 42 42 GLN CA C 42 56.859 57.911 -1.052 1
1 483 . 6 1 1 A 42 42 GLN CB C 42 28.418 27.974 0.444 1
1 485 . 6 1 1 A 42 42 GLN N N 42 114.515 118.022 -3.507 1
1 487 . 6 1 1 A 43 43 TYR H H 43 6.692 7.701 -1.009 1
1 488 . 6 1 1 A 43 43 TYR HA H 43 4.866 4.607 0.259 1
1 495 . 6 1 1 A 43 43 TYR C C 43 177.063 175.369 1.694 1
1 496 . 6 1 1 A 43 43 TYR CA C 43 58.627 58.622 0.005 1
1 497 . 6 1 1 A 43 43 TYR CB C 43 39.628 39.220 0.408 1
1 502 . 6 1 1 A 43 43 TYR N N 43 116.167 119.972 -3.805 1
1 503 . 6 1 1 A 44 44 THR H H 44 8.785 8.876 -0.091 1
1 504 . 6 1 1 A 44 44 THR HA H 44 4.800 5.322 -0.522 1
1 509 . 6 1 1 A 44 44 THR C C 44 176.061 175.719 0.342 1
1 510 . 6 1 1 A 44 44 THR CA C 44 60.519 59.857 0.662 1
1 511 . 6 1 1 A 44 44 THR CB C 44 71.926 72.298 -0.372 1
1 513 . 6 1 1 A 44 44 THR N N 44 116.779 111.530 5.249 1
1 514 . 6 1 1 A 45 45 THR H H 45 8.849 8.727 0.122 1
1 515 . 6 1 1 A 45 45 THR HA H 45 3.626 3.853 -0.227 1
1 520 . 6 1 1 A 45 45 THR C C 45 176.458 176.141 0.317 1
1 521 . 6 1 1 A 45 45 THR CA C 45 65.716 65.413 0.303 1
1 522 . 6 1 1 A 45 45 THR CB C 45 67.141 68.015 -0.874 1
1 524 . 6 1 1 A 45 45 THR N N 45 112.579 115.054 -2.475 1
1 525 . 6 1 1 A 46 46 ILE H H 46 7.144 7.750 -0.606 1
1 526 . 6 1 1 A 46 46 ILE HA H 46 3.803 3.735 0.068 1
1 536 . 6 1 1 A 46 46 ILE C C 46 177.573 177.877 -0.304 1
1 537 . 6 1 1 A 46 46 ILE CA C 46 64.078 65.147 -1.069 1
1 538 . 6 1 1 A 46 46 ILE CB C 46 38.733 37.512 1.221 1
1 542 . 6 1 1 A 46 46 ILE N N 46 119.409 123.188 -3.779 1
1 543 . 6 1 1 A 47 47 GLN H H 47 7.552 7.989 -0.437 1
1 544 . 6 1 1 A 47 47 GLN HA H 47 4.124 4.055 0.069 1
1 551 . 6 1 1 A 47 47 GLN C C 47 179.640 178.808 0.832 1
1 552 . 6 1 1 A 47 47 GLN CA C 47 59.282 59.169 0.113 1
1 553 . 6 1 1 A 47 47 GLN CB C 47 29.242 28.463 0.779 1
1 555 . 6 1 1 A 47 47 GLN N N 47 119.564 118.596 0.968 1
1 557 . 6 1 1 A 48 48 ILE H H 48 8.520 7.976 0.544 1
1 558 . 6 1 1 A 48 48 ILE HA H 48 3.861 3.703 0.158 1
1 568 . 6 1 1 A 48 48 ILE C C 48 177.779 177.865 -0.086 1
1 569 . 6 1 1 A 48 48 ILE CA C 48 61.208 65.276 -4.068 1
1 570 . 6 1 1 A 48 48 ILE CB C 48 34.654 37.960 -3.306 1
1 574 . 6 1 1 A 48 48 ILE N N 48 118.052 121.041 -2.989 1
1 575 . 6 1 1 A 49 49 ALA H H 49 8.826 8.306 0.520 1
1 576 . 6 1 1 A 49 49 ALA HA H 49 4.071 4.115 -0.044 1
1 580 . 6 1 1 A 49 49 ALA C C 49 179.849 180.419 -0.570 1
1 581 . 6 1 1 A 49 49 ALA CA C 49 55.909 55.785 0.124 1
1 582 . 6 1 1 A 49 49 ALA CB C 49 18.289 18.423 -0.134 1
1 583 . 6 1 1 A 49 49 ALA N N 49 123.182 122.565 0.617 1
1 584 . 6 1 1 A 50 50 ASN H H 50 8.319 8.193 0.126 1
1 585 . 6 1 1 A 50 50 ASN HA H 50 4.517 4.812 -0.295 1
1 590 . 6 1 1 A 50 50 ASN CA C 50 56.309 56.670 -0.361 1
1 591 . 6 1 1 A 50 50 ASN CB C 50 38.198 38.080 0.118 1
1 592 . 6 1 1 A 50 50 ASN N N 50 116.379 117.393 -1.014 1
1 594 . 6 1 1 A 51 51 MET H H 51 8.233 7.969 0.264 1
1 595 . 6 1 1 A 51 51 MET HA H 51 4.132 4.112 0.020 1
1 603 . 6 1 1 A 51 51 MET CA C 51 59.312 58.770 0.542 1
1 604 . 6 1 1 A 51 51 MET CB C 51 34.763 32.449 2.314 1
1 607 . 6 1 1 A 51 51 MET N N 51 119.934 118.840 1.094 1
1 608 . 6 1 1 A 52 52 MET H H 52 8.926 8.190 0.736 1
1 609 . 6 1 1 A 52 52 MET HA H 52 3.874 4.424 -0.550 1
1 617 . 6 1 1 A 52 52 MET C C 52 177.228 178.949 -1.721 1
1 618 . 6 1 1 A 52 52 MET CA C 52 60.218 58.412 1.806 1
1 619 . 6 1 1 A 52 52 MET CB C 52 33.427 33.316 0.111 1
1 622 . 6 1 1 A 52 52 MET N N 52 120.686 119.059 1.627 1
1 623 . 6 1 1 A 53 53 GLU H H 53 8.111 8.357 -0.246 1
1 624 . 6 1 1 A 53 53 GLU HA H 53 3.863 4.054 -0.191 1
1 629 . 6 1 1 A 53 53 GLU C C 53 177.640 178.660 -1.020 1
1 630 . 6 1 1 A 53 53 GLU CA C 53 59.847 59.726 0.121 1
1 631 . 6 1 1 A 53 53 GLU CB C 53 29.778 29.245 0.533 1
1 633 . 6 1 1 A 53 53 GLU N N 53 119.207 118.840 0.367 1
1 634 . 6 1 1 A 54 54 GLU H H 54 7.030 7.971 -0.941 1
1 635 . 6 1 1 A 54 54 GLU HA H 54 4.014 4.073 -0.059 1
1 640 . 6 1 1 A 54 54 GLU C C 54 178.008 178.728 -0.720 1
1 641 . 6 1 1 A 54 54 GLU CA C 54 58.211 59.328 -1.117 1
1 642 . 6 1 1 A 54 54 GLU CB C 54 30.149 29.207 0.942 1
1 644 . 6 1 1 A 54 54 GLU N N 54 115.049 118.765 -3.716 1
1 645 . 6 1 1 A 55 55 LYS H H 55 7.670 7.655 0.015 1
1 646 . 6 1 1 A 55 55 LYS HA H 55 3.930 3.855 0.075 1
1 655 . 6 1 1 A 55 55 LYS C C 55 175.986 176.440 -0.454 1
1 656 . 6 1 1 A 55 55 LYS CA C 55 56.405 58.622 -2.217 1
1 657 . 6 1 1 A 55 55 LYS CB C 55 32.705 32.025 0.680 1
1 661 . 6 1 1 A 55 55 LYS N N 55 117.040 120.002 -2.962 1
1 662 . 6 1 1 A 56 56 PHE H H 56 8.079 8.266 -0.187 1
1 663 . 6 1 1 A 56 56 PHE HA H 56 5.215 5.015 0.200 1
1 671 . 6 1 1 A 56 56 PHE CA C 56 53.965 55.029 -1.064 1
1 672 . 6 1 1 A 56 56 PHE CB C 56 38.759 38.952 -0.193 1
1 678 . 6 1 1 A 56 56 PHE N N 56 117.341 116.294 1.047 1
1 679 . 6 1 1 A 57 57 PRO HA H 57 4.514 4.655 -0.141 1
1 686 . 6 1 1 A 57 57 PRO CA C 57 64.818 64.136 0.682 1
1 687 . 6 1 1 A 57 57 PRO CB C 57 32.192 31.911 0.281 1
1 690 . 6 1 1 A 58 58 ALA H H 58 8.619 8.337 0.282 1
1 691 . 6 1 1 A 58 58 ALA HA H 58 4.206 4.127 0.079 1
1 695 . 6 1 1 A 58 58 ALA CA C 58 55.406 55.255 0.151 1
1 696 . 6 1 1 A 58 58 ALA CB C 58 18.353 18.964 -0.611 1
1 697 . 6 1 1 A 58 58 ALA N N 58 120.173 121.286 -1.113 1
1 698 . 6 1 1 A 59 59 ASP H H 59 7.515 7.816 -0.301 1
1 699 . 6 1 1 A 59 59 ASP HA H 59 4.810 4.803 0.007 1
1 702 . 6 1 1 A 59 59 ASP CA C 59 52.659 53.221 -0.562 1
1 703 . 6 1 1 A 59 59 ASP CB C 59 41.778 42.051 -0.273 1
1 704 . 6 1 1 A 59 59 ASP N N 59 113.536 115.290 -1.754 1
1 705 . 6 1 1 A 60 60 SER H H 60 8.392 8.442 -0.050 1
1 706 . 6 1 1 A 60 60 SER HA H 60 4.176 4.580 -0.404 1
1 709 . 6 1 1 A 60 60 SER CA C 60 60.221 59.598 0.623 1
1 710 . 6 1 1 A 60 60 SER CB C 60 62.050 61.633 0.417 1
1 711 . 6 1 1 A 60 60 SER N N 60 113.717 113.246 0.471 1
1 712 . 6 1 1 A 61 61 GLY H H 61 8.299 8.374 -0.075 1
1 713 . 6 1 1 A 61 61 GLY HA2 H 61 4.005 3.981 0.024 1
1 714 . 6 1 1 A 61 61 GLY HA3 H 61 3.502 4.071 -0.569 1
1 715 . 6 1 1 A 61 61 GLY CA C 61 45.554 45.275 0.279 1
1 716 . 6 1 1 A 61 61 GLY N N 61 104.225 106.474 -2.249 1
1 717 . 6 1 1 A 62 62 LEU H H 62 7.927 7.946 -0.019 1
1 718 . 6 1 1 A 62 62 LEU HA H 62 3.915 4.011 -0.096 1
1 728 . 6 1 1 A 62 62 LEU CA C 62 58.075 57.852 0.223 1
1 729 . 6 1 1 A 62 62 LEU CB C 62 41.731 42.011 -0.280 1
1 733 . 6 1 1 A 62 62 LEU N N 62 122.094 122.744 -0.650 1
1 734 . 6 1 1 A 63 63 GLY H H 63 8.566 8.154 0.412 1
1 735 . 6 1 1 A 63 63 GLY HA2 H 63 3.847 3.649 0.198 1
1 736 . 6 1 1 A 63 63 GLY HA3 H 63 3.592 3.653 -0.061 1
1 737 . 6 1 1 A 63 63 GLY CA C 63 47.146 47.050 0.096 1
1 738 . 6 1 1 A 63 63 GLY N N 63 105.732 106.531 -0.799 1
1 739 . 6 1 1 A 64 64 LYS H H 64 7.509 8.169 -0.660 1
1 740 . 6 1 1 A 64 64 LYS HA H 64 4.115 4.021 0.094 1
1 749 . 6 1 1 A 64 64 LYS C C 64 179.856 178.984 0.872 1
1 750 . 6 1 1 A 64 64 LYS CA C 64 57.768 59.286 -1.518 1
1 751 . 6 1 1 A 64 64 LYS CB C 64 31.542 32.011 -0.469 1
1 755 . 6 1 1 A 64 64 LYS N N 64 120.697 122.007 -1.310 1
1 756 . 6 1 1 A 65 65 LEU H H 65 7.544 8.173 -0.629 1
1 757 . 6 1 1 A 65 65 LEU HA H 65 4.219 3.572 0.647 1
1 767 . 6 1 1 A 65 65 LEU C C 65 178.606 178.497 0.109 1
1 768 . 6 1 1 A 65 65 LEU CA C 65 57.675 57.873 -0.198 1
1 769 . 6 1 1 A 65 65 LEU CB C 65 41.040 41.553 -0.513 1
1 773 . 6 1 1 A 65 65 LEU N N 65 120.399 120.643 -0.244 1
1 774 . 6 1 1 A 66 66 ILE H H 66 8.605 7.957 0.648 1
1 775 . 6 1 1 A 66 66 ILE HA H 66 3.271 3.624 -0.353 1
1 785 . 6 1 1 A 66 66 ILE C C 66 176.721 178.007 -1.286 1
1 786 . 6 1 1 A 66 66 ILE CA C 66 67.612 65.495 2.117 1
1 787 . 6 1 1 A 66 66 ILE CB C 66 38.006 37.657 0.349 1
1 791 . 6 1 1 A 66 66 ILE N N 66 121.170 119.706 1.464 1
1 792 . 6 1 1 A 67 67 GLU H H 67 8.157 7.934 0.223 1
1 793 . 6 1 1 A 67 67 GLU HA H 67 4.007 3.932 0.075 1
1 798 . 6 1 1 A 67 67 GLU C C 67 178.848 179.242 -0.394 1
1 799 . 6 1 1 A 67 67 GLU CA C 67 59.476 59.763 -0.287 1
1 800 . 6 1 1 A 67 67 GLU CB C 67 30.055 29.758 0.297 1
1 802 . 6 1 1 A 67 67 GLU N N 67 118.066 119.011 -0.945 1
1 803 . 6 1 1 A 68 68 PHE H H 68 7.673 8.529 -0.856 1
1 804 . 6 1 1 A 68 68 PHE HA H 68 4.393 4.152 0.241 1
1 812 . 6 1 1 A 68 68 PHE C C 68 176.609 177.762 -1.153 1
1 813 . 6 1 1 A 68 68 PHE CA C 68 60.660 61.398 -0.738 1
1 814 . 6 1 1 A 68 68 PHE CB C 68 39.666 39.483 0.183 1
1 820 . 6 1 1 A 68 68 PHE N N 68 119.383 120.982 -1.599 1
1 821 . 6 1 1 A 69 69 CYS H H 69 8.137 8.183 -0.046 1
1 822 . 6 1 1 A 69 69 CYS HA H 69 3.714 4.146 -0.432 1
1 825 . 6 1 1 A 69 69 CYS C C 69 175.221 176.998 -1.777 1
1 826 . 6 1 1 A 69 69 CYS CA C 69 62.782 62.151 0.631 1
1 827 . 6 1 1 A 69 69 CYS CB C 69 26.732 26.578 0.154 1
1 828 . 6 1 1 A 69 69 CYS N N 69 115.218 116.812 -1.594 1
1 829 . 6 1 1 A 70 70 GLU H H 70 8.108 8.023 0.085 1
1 830 . 6 1 1 A 70 70 GLU HA H 70 3.739 3.937 -0.198 1
1 835 . 6 1 1 A 70 70 GLU C C 70 178.404 178.743 -0.339 1
1 836 . 6 1 1 A 70 70 GLU CA C 70 58.839 59.537 -0.698 1
1 837 . 6 1 1 A 70 70 GLU CB C 70 30.149 29.421 0.728 1
1 839 . 6 1 1 A 70 70 GLU N N 70 113.937 120.735 -6.798 1
1 840 . 6 1 1 A 71 71 GLU H H 71 7.306 8.119 -0.813 1
1 841 . 6 1 1 A 71 71 GLU HA H 71 4.148 4.101 0.047 1
1 846 . 6 1 1 A 71 71 GLU C C 71 176.363 176.492 -0.129 1
1 847 . 6 1 1 A 71 71 GLU CA C 71 56.943 58.969 -2.026 1
1 848 . 6 1 1 A 71 71 GLU CB C 71 30.374 28.869 1.505 1
1 850 . 6 1 1 A 71 71 GLU N N 71 117.591 117.969 -0.378 1
1 851 . 6 1 1 A 72 72 VAL H H 72 7.055 7.783 -0.728 1
1 852 . 6 1 1 A 72 72 VAL HA H 72 4.220 4.182 0.038 1
1 860 . 6 1 1 A 72 72 VAL C C 72 174.906 175.412 -0.506 1
1 861 . 6 1 1 A 72 72 VAL CA C 72 59.360 58.715 0.645 1
1 862 . 6 1 1 A 72 72 VAL CB C 72 33.462 32.708 0.754 1
1 865 . 6 1 1 A 72 72 VAL N N 72 122.531 120.892 1.639 1
1 866 . 6 1 1 A 73 73 PRO HA H 73 3.887 4.446 -0.559 1
1 873 . 6 1 1 A 73 73 PRO C C 73 179.162 177.365 1.797 1
1 874 . 6 1 1 A 73 73 PRO CA C 73 66.658 64.406 2.252 1
1 875 . 6 1 1 A 73 73 PRO CB C 73 31.819 31.784 0.035 1
1 878 . 6 1 1 A 74 74 ALA H H 74 8.188 8.186 0.002 1
1 879 . 6 1 1 A 74 74 ALA HA H 74 4.217 4.192 0.025 1
1 883 . 6 1 1 A 74 74 ALA C C 74 178.535 178.154 0.381 1
1 884 . 6 1 1 A 74 74 ALA CA C 74 54.149 54.141 0.008 1
1 885 . 6 1 1 A 74 74 ALA CB C 74 19.305 18.604 0.701 1
1 886 . 6 1 1 A 74 74 ALA N N 74 116.317 119.677 -3.360 1
1 887 . 6 1 1 A 75 75 LEU H H 75 8.188 7.161 1.027 1
1 888 . 6 1 1 A 75 75 LEU HA H 75 4.607 4.254 0.353 1
1 898 . 6 1 1 A 75 75 LEU C C 75 177.094 178.014 -0.920 1
1 899 . 6 1 1 A 75 75 LEU CA C 75 53.645 54.707 -1.062 1
1 900 . 6 1 1 A 75 75 LEU CB C 75 42.633 42.339 0.294 1
1 904 . 6 1 1 A 75 75 LEU N N 75 116.296 115.191 1.105 1
1 905 . 6 1 1 A 76 76 ARG H H 76 7.332 7.950 -0.618 1
1 906 . 6 1 1 A 76 76 ARG HA H 76 3.789 3.918 -0.129 1
1 913 . 6 1 1 A 76 76 ARG C C 76 179.457 178.781 0.676 1
1 914 . 6 1 1 A 76 76 ARG CA C 76 60.815 59.563 1.252 1
1 915 . 6 1 1 A 76 76 ARG CB C 76 29.535 29.965 -0.430 1
1 918 . 6 1 1 A 76 76 ARG N N 76 122.654 119.656 2.998 1
1 919 . 6 1 1 A 77 77 LYS H H 77 8.489 8.041 0.448 1
1 920 . 6 1 1 A 77 77 LYS HA H 77 4.118 3.982 0.136 1
1 929 . 6 1 1 A 77 77 LYS C C 77 179.135 179.031 0.104 1
1 930 . 6 1 1 A 77 77 LYS CA C 77 58.963 59.246 -0.283 1
1 931 . 6 1 1 A 77 77 LYS CB C 77 31.113 31.980 -0.867 1
1 935 . 6 1 1 A 77 77 LYS N N 77 119.343 119.513 -0.170 1
1 936 . 6 1 1 A 78 78 ARG H H 78 7.626 8.284 -0.658 1
1 937 . 6 1 1 A 78 78 ARG HA H 78 3.931 4.007 -0.076 1
1 944 . 6 1 1 A 78 78 ARG C C 78 178.200 179.065 -0.865 1
1 945 . 6 1 1 A 78 78 ARG CA C 78 56.415 59.091 -2.676 1
1 946 . 6 1 1 A 78 78 ARG CB C 78 27.010 30.486 -3.476 1
1 949 . 6 1 1 A 78 78 ARG N N 78 120.202 119.530 0.672 1
1 950 . 6 1 1 A 79 79 ALA H H 79 8.138 7.949 0.189 1
1 951 . 6 1 1 A 79 79 ALA HA H 79 3.837 4.092 -0.255 1
1 955 . 6 1 1 A 79 79 ALA C C 79 178.684 179.746 -1.062 1
1 956 . 6 1 1 A 79 79 ALA CA C 79 55.692 54.956 0.736 1
1 957 . 6 1 1 A 79 79 ALA CB C 79 18.376 18.588 -0.212 1
1 958 . 6 1 1 A 79 79 ALA N N 79 120.388 122.077 -1.689 1
1 959 . 6 1 1 A 80 80 GLU H H 80 7.437 7.944 -0.507 1
1 960 . 6 1 1 A 80 80 GLU HA H 80 3.877 4.062 -0.185 1
1 965 . 6 1 1 A 80 80 GLU C C 80 179.640 178.689 0.951 1
1 966 . 6 1 1 A 80 80 GLU CA C 80 59.370 59.078 0.292 1
1 967 . 6 1 1 A 80 80 GLU CB C 80 29.445 28.673 0.772 1
1 969 . 6 1 1 A 80 80 GLU N N 80 115.384 116.085 -0.701 1
1 970 . 6 1 1 A 81 81 ILE H H 81 7.721 8.074 -0.353 1
1 971 . 6 1 1 A 81 81 ILE HA H 81 3.675 3.702 -0.027 1
1 981 . 6 1 1 A 81 81 ILE C C 81 178.179 178.618 -0.439 1
1 982 . 6 1 1 A 81 81 ILE CA C 81 65.187 64.788 0.399 1
1 983 . 6 1 1 A 81 81 ILE CB C 81 38.471 37.846 0.625 1
1 987 . 6 1 1 A 81 81 ILE N N 81 121.563 121.381 0.182 1
1 988 . 6 1 1 A 82 82 LEU H H 82 8.374 8.283 0.091 1
1 989 . 6 1 1 A 82 82 LEU HA H 82 3.930 3.876 0.054 1
1 999 . 6 1 1 A 82 82 LEU C C 82 179.279 178.592 0.687 1
1 1000 . 6 1 1 A 82 82 LEU CA C 82 58.038 58.161 -0.123 1
1 1001 . 6 1 1 A 82 82 LEU CB C 82 42.869 41.439 1.430 1
1 1005 . 6 1 1 A 82 82 LEU N N 82 119.839 119.933 -0.094 1
1 1006 . 6 1 1 A 83 83 LYS H H 83 8.153 8.363 -0.210 1
1 1007 . 6 1 1 A 83 83 LYS HA H 83 3.740 3.865 -0.125 1
1 1016 . 6 1 1 A 83 83 LYS C C 83 179.548 178.840 0.708 1
1 1017 . 6 1 1 A 83 83 LYS CA C 83 60.433 60.453 -0.020 1
1 1018 . 6 1 1 A 83 83 LYS CB C 83 32.703 32.269 0.434 1
1 1022 . 6 1 1 A 83 83 LYS N N 83 117.092 117.156 -0.064 1
1 1023 . 6 1 1 A 84 84 LYS H H 84 7.705 7.673 0.032 1
1 1024 . 6 1 1 A 84 84 LYS HA H 84 4.101 3.969 0.132 1
1 1033 . 6 1 1 A 84 84 LYS C C 84 179.082 178.760 0.322 1
1 1034 . 6 1 1 A 84 84 LYS CA C 84 59.120 59.760 -0.640 1
1 1035 . 6 1 1 A 84 84 LYS CB C 84 32.291 32.192 0.099 1
1 1039 . 6 1 1 A 84 84 LYS N N 84 121.473 119.929 1.544 1
1 1040 . 6 1 1 A 85 85 GLU H H 85 8.567 7.882 0.685 1
1 1041 . 6 1 1 A 85 85 GLU HA H 85 4.013 4.117 -0.104 1
1 1046 . 6 1 1 A 85 85 GLU CA C 85 59.360 59.294 0.066 1
1 1047 . 6 1 1 A 85 85 GLU CB C 85 30.033 29.735 0.298 1
1 1049 . 6 1 1 A 85 85 GLU N N 85 119.645 119.048 0.597 1
1 1050 . 6 1 1 A 86 86 ARG H H 86 8.467 8.077 0.390 1
1 1051 . 6 1 1 A 86 86 ARG HA H 86 4.030 4.097 -0.067 1
1 1058 . 6 1 1 A 86 86 ARG C C 86 177.790 177.385 0.405 1
1 1059 . 6 1 1 A 86 86 ARG CA C 86 58.556 59.341 -0.785 1
1 1060 . 6 1 1 A 86 86 ARG CB C 86 30.377 29.669 0.708 1
1 1063 . 6 1 1 A 86 86 ARG N N 86 119.408 121.230 -1.822 1
1 1064 . 6 1 1 A 87 87 SER H H 87 7.851 7.710 0.141 1
1 1065 . 6 1 1 A 87 87 SER HA H 87 4.369 4.305 0.064 1
1 1068 . 6 1 1 A 87 87 SER C C 87 175.282 173.931 1.351 1
1 1069 . 6 1 1 A 87 87 SER CA C 87 60.271 58.528 1.743 1
1 1070 . 6 1 1 A 87 87 SER CB C 87 63.601 63.525 0.076 1
1 1071 . 6 1 1 A 87 87 SER N N 87 115.071 115.352 -0.281 1
1 1072 . 6 1 1 A 88 88 GLU H H 88 7.891 8.767 -0.876 1
1 1073 . 6 1 1 A 88 88 GLU HA H 88 4.316 4.639 -0.323 1
1 1078 . 6 1 1 A 88 88 GLU C C 88 176.801 176.196 0.605 1
1 1079 . 6 1 1 A 88 88 GLU CA C 88 57.036 54.897 2.139 1
1 1080 . 6 1 1 A 88 88 GLU CB C 88 30.024 30.744 -0.720 1
1 1082 . 6 1 1 A 88 88 GLU N N 88 121.067 128.286 -7.219 1
1 1083 . 6 1 1 A 89 89 SER H H 89 7.934 8.485 -0.551 1
1 1084 . 6 1 1 A 89 89 SER HA H 89 4.503 3.959 0.544 1
1 1087 . 6 1 1 A 89 89 SER C C 89 174.624 173.307 1.317 1
1 1088 . 6 1 1 A 89 89 SER CA C 89 58.875 59.291 -0.416 1
1 1089 . 6 1 1 A 89 89 SER CB C 89 64.040 61.633 2.407 1
1 1090 . 6 1 1 A 89 89 SER N N 89 115.241 118.919 -3.678 1
1 1091 . 6 1 1 A 90 90 GLY H H 90 8.062 8.152 -0.090 1
1 1092 . 6 1 1 A 90 90 GLY HA2 H 90 4.210 4.087 0.123 1
1 1093 . 6 1 1 A 90 90 GLY HA3 H 90 4.083 4.087 -0.004 1
1 1094 . 6 1 1 A 90 90 GLY C C 90 171.774 173.020 -1.246 1
1 1095 . 6 1 1 A 90 90 GLY CA C 90 44.872 44.018 0.854 1
1 1096 . 6 1 1 A 90 90 GLY N N 90 110.384 107.874 2.510 1
1 1097 . 6 1 1 A 91 91 PRO HA H 91 4.495 4.729 -0.234 1
1 1104 . 6 1 1 A 91 91 PRO C C 91 177.475 175.195 2.280 1
1 1105 . 6 1 1 A 91 91 PRO CA C 91 63.295 62.458 0.837 1
1 1106 . 6 1 1 A 91 91 PRO CB C 91 32.234 29.626 2.608 1
1 1109 . 6 1 1 A 92 92 SER H H 92 8.557 8.374 0.183 1
1 1110 . 6 1 1 A 92 92 SER HA H 92 4.575 4.756 -0.181 1
1 1113 . 6 1 1 A 92 92 SER C C 92 174.736 172.852 1.884 1
1 1114 . 6 1 1 A 92 92 SER CA C 92 58.380 57.233 1.147 1
1 1115 . 6 1 1 A 92 92 SER CB C 92 64.221 65.960 -1.739 1
1 1 . 7 1 1 A 6 6 SER H H 6 8.063 8.836 -0.773 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.493 4.919 -0.426 1
1 5 . 7 1 1 A 6 6 SER CA C 6 59.071 57.354 1.717 1
1 6 . 7 1 1 A 6 6 SER CB C 6 63.626 63.205 0.421 1
1 7 . 7 1 1 A 7 7 GLY H H 7 8.424 8.673 -0.249 1
1 8 . 7 1 1 A 7 7 GLY HA2 H 7 3.985 4.188 -0.203 1
1 9 . 7 1 1 A 7 7 GLY HA3 H 7 3.834 4.188 -0.354 1
1 10 . 7 1 1 A 7 7 GLY CA C 7 47.092 45.789 1.303 1
1 11 . 7 1 1 A 7 7 GLY N N 7 109.548 112.623 -3.075 1
1 12 . 7 1 1 A 8 8 ILE H H 8 7.565 7.623 -0.058 1
1 13 . 7 1 1 A 8 8 ILE HA H 8 3.883 4.705 -0.822 1
1 23 . 7 1 1 A 8 8 ILE CA C 8 63.805 59.689 4.116 1
1 24 . 7 1 1 A 8 8 ILE CB C 8 37.866 40.176 -2.310 1
1 28 . 7 1 1 A 8 8 ILE N N 8 123.348 120.758 2.590 1
1 29 . 7 1 1 A 9 9 VAL H H 9 7.538 8.524 -0.986 1
1 30 . 7 1 1 A 9 9 VAL HA H 9 3.471 4.827 -1.356 1
1 38 . 7 1 1 A 9 9 VAL CA C 9 66.382 59.828 6.554 1
1 39 . 7 1 1 A 9 9 VAL CB C 9 31.755 35.552 -3.797 1
1 42 . 7 1 1 A 9 9 VAL N N 9 121.471 123.007 -1.536 1
1 43 . 7 1 1 A 10 10 LEU H H 10 7.941 9.064 -1.123 1
1 44 . 7 1 1 A 10 10 LEU HA H 10 3.848 3.905 -0.057 1
1 54 . 7 1 1 A 10 10 LEU CA C 10 58.619 57.855 0.764 1
1 55 . 7 1 1 A 10 10 LEU CB C 10 41.377 41.531 -0.154 1
1 59 . 7 1 1 A 10 10 LEU N N 10 119.521 129.407 -9.886 1
1 60 . 7 1 1 A 11 11 LEU H H 11 8.207 8.113 0.094 1
1 61 . 7 1 1 A 11 11 LEU HA H 11 3.792 4.090 -0.298 1
1 71 . 7 1 1 A 11 11 LEU CA C 11 58.241 58.237 0.004 1
1 72 . 7 1 1 A 11 11 LEU CB C 11 41.790 41.565 0.225 1
1 76 . 7 1 1 A 11 11 LEU N N 11 119.938 120.289 -0.351 1
1 77 . 7 1 1 A 12 12 ARG H H 12 7.904 8.423 -0.519 1
1 78 . 7 1 1 A 12 12 ARG HA H 12 3.966 4.005 -0.039 1
1 85 . 7 1 1 A 12 12 ARG CA C 12 59.301 59.012 0.289 1
1 86 . 7 1 1 A 12 12 ARG CB C 12 30.132 29.758 0.374 1
1 89 . 7 1 1 A 12 12 ARG N N 12 116.799 118.463 -1.664 1
1 90 . 7 1 1 A 13 13 GLY H H 13 8.190 8.267 -0.077 1
1 91 . 7 1 1 A 13 13 GLY HA2 H 13 3.740 3.870 -0.130 1
1 92 . 7 1 1 A 13 13 GLY HA3 H 13 3.437 3.878 -0.441 1
1 93 . 7 1 1 A 13 13 GLY CA C 13 47.988 46.734 1.254 1
1 94 . 7 1 1 A 13 13 GLY N N 13 107.618 108.506 -0.888 1
1 95 . 7 1 1 A 14 14 LEU H H 14 8.515 7.937 0.578 1
1 96 . 7 1 1 A 14 14 LEU HA H 14 3.785 4.047 -0.262 1
1 106 . 7 1 1 A 14 14 LEU C C 14 178.232 178.875 -0.643 1
1 107 . 7 1 1 A 14 14 LEU CA C 14 57.401 57.886 -0.485 1
1 108 . 7 1 1 A 14 14 LEU CB C 14 41.981 41.930 0.051 1
1 112 . 7 1 1 A 14 14 LEU N N 14 120.161 122.564 -2.403 1
1 113 . 7 1 1 A 15 15 GLU H H 15 7.931 8.205 -0.274 1
1 114 . 7 1 1 A 15 15 GLU HA H 15 4.030 3.860 0.170 1
1 119 . 7 1 1 A 15 15 GLU CA C 15 57.961 59.544 -1.583 1
1 120 . 7 1 1 A 15 15 GLU CB C 15 30.140 29.099 1.041 1
1 122 . 7 1 1 A 15 15 GLU N N 15 114.703 117.292 -2.589 1
1 123 . 7 1 1 A 16 16 CYS H H 16 7.612 8.208 -0.596 1
1 124 . 7 1 1 A 16 16 CYS HA H 16 4.457 4.106 0.351 1
1 127 . 7 1 1 A 16 16 CYS CA C 16 60.982 63.280 -2.298 1
1 128 . 7 1 1 A 16 16 CYS CB C 16 27.917 27.023 0.894 1
1 129 . 7 1 1 A 16 16 CYS N N 16 114.695 118.934 -4.239 1
1 130 . 7 1 1 A 17 17 ILE H H 17 7.142 7.654 -0.512 1
1 131 . 7 1 1 A 17 17 ILE HA H 17 4.533 4.337 0.196 1
1 141 . 7 1 1 A 17 17 ILE CA C 17 61.521 60.979 0.542 1
1 142 . 7 1 1 A 17 17 ILE CB C 17 39.206 38.728 0.478 1
1 146 . 7 1 1 A 17 17 ILE N N 17 115.031 117.383 -2.352 1
1 147 . 7 1 1 A 18 18 ASN H H 18 8.325 8.845 -0.520 1
1 148 . 7 1 1 A 18 18 ASN HA H 18 4.575 4.752 -0.177 1
1 153 . 7 1 1 A 18 18 ASN C C 18 175.171 176.876 -1.705 1
1 154 . 7 1 1 A 18 18 ASN CA C 18 53.278 53.784 -0.506 1
1 155 . 7 1 1 A 18 18 ASN CB C 18 38.419 38.764 -0.345 1
1 156 . 7 1 1 A 18 18 ASN N N 18 119.943 123.232 -3.289 1
1 158 . 7 1 1 A 19 19 LYS H H 19 8.514 9.140 -0.626 1
1 159 . 7 1 1 A 19 19 LYS HA H 19 4.242 4.090 0.152 1
1 168 . 7 1 1 A 19 19 LYS C C 19 178.868 178.323 0.545 1
1 169 . 7 1 1 A 19 19 LYS CA C 19 60.006 60.197 -0.191 1
1 170 . 7 1 1 A 19 19 LYS CB C 19 32.291 32.407 -0.116 1
1 174 . 7 1 1 A 19 19 LYS N N 19 118.191 125.438 -7.247 1
1 175 . 7 1 1 A 20 20 HIS H H 20 8.328 8.052 0.276 1
1 176 . 7 1 1 A 20 20 HIS HA H 20 4.371 4.230 0.141 1
1 181 . 7 1 1 A 20 20 HIS C C 20 178.335 176.951 1.384 1
1 182 . 7 1 1 A 20 20 HIS CA C 20 59.785 59.375 0.410 1
1 183 . 7 1 1 A 20 20 HIS CB C 20 29.879 30.017 -0.138 1
1 186 . 7 1 1 A 20 20 HIS N N 20 120.900 119.534 1.366 1
1 187 . 7 1 1 A 21 21 TYR H H 21 8.464 8.268 0.196 1
1 188 . 7 1 1 A 21 21 TYR HA H 21 4.540 4.223 0.317 1
1 195 . 7 1 1 A 21 21 TYR C C 21 178.222 178.512 -0.290 1
1 196 . 7 1 1 A 21 21 TYR CA C 21 61.863 61.709 0.154 1
1 197 . 7 1 1 A 21 21 TYR CB C 21 38.012 38.292 -0.280 1
1 202 . 7 1 1 A 21 21 TYR N N 21 118.132 117.717 0.415 1
1 203 . 7 1 1 A 22 22 PHE H H 22 9.095 8.227 0.868 1
1 204 . 7 1 1 A 22 22 PHE HA H 22 4.616 4.078 0.538 1
1 212 . 7 1 1 A 22 22 PHE C C 22 177.409 177.346 0.063 1
1 213 . 7 1 1 A 22 22 PHE CA C 22 59.761 61.733 -1.972 1
1 214 . 7 1 1 A 22 22 PHE CB C 22 38.982 39.330 -0.348 1
1 220 . 7 1 1 A 22 22 PHE N N 22 121.771 120.897 0.874 1
1 221 . 7 1 1 A 23 23 SER H H 23 8.400 8.575 -0.175 1
1 222 . 7 1 1 A 23 23 SER HA H 23 3.785 3.876 -0.091 1
1 225 . 7 1 1 A 23 23 SER C C 23 177.318 177.098 0.220 1
1 226 . 7 1 1 A 23 23 SER CA C 23 62.453 61.204 1.249 1
1 227 . 7 1 1 A 23 23 SER CB C 23 62.279 62.930 -0.651 1
1 228 . 7 1 1 A 23 23 SER N N 23 115.511 113.748 1.763 1
1 229 . 7 1 1 A 24 24 LEU H H 24 7.737 8.547 -0.810 1
1 230 . 7 1 1 A 24 24 LEU HA H 24 4.118 4.026 0.092 1
1 240 . 7 1 1 A 24 24 LEU C C 24 178.956 179.336 -0.380 1
1 241 . 7 1 1 A 24 24 LEU CA C 24 57.992 57.762 0.230 1
1 242 . 7 1 1 A 24 24 LEU CB C 24 42.066 42.370 -0.304 1
1 246 . 7 1 1 A 24 24 LEU N N 24 123.378 122.232 1.146 1
1 247 . 7 1 1 A 25 25 PHE H H 25 8.643 7.703 0.940 1
1 248 . 7 1 1 A 25 25 PHE HA H 25 3.475 3.464 0.011 1
1 256 . 7 1 1 A 25 25 PHE C C 25 176.905 177.150 -0.245 1
1 257 . 7 1 1 A 25 25 PHE CA C 25 61.196 61.252 -0.056 1
1 258 . 7 1 1 A 25 25 PHE CB C 25 38.741 38.726 0.015 1
1 264 . 7 1 1 A 25 25 PHE N N 25 122.640 118.512 4.128 1
1 265 . 7 1 1 A 26 26 LYS H H 26 8.022 7.677 0.345 1
1 266 . 7 1 1 A 26 26 LYS HA H 26 3.197 3.576 -0.379 1
1 275 . 7 1 1 A 26 26 LYS C C 26 177.424 179.097 -1.673 1
1 276 . 7 1 1 A 26 26 LYS CA C 26 61.439 59.748 1.691 1
1 277 . 7 1 1 A 26 26 LYS CB C 26 32.363 31.807 0.556 1
1 281 . 7 1 1 A 26 26 LYS N N 26 116.023 117.686 -1.663 1
1 282 . 7 1 1 A 27 27 SER H H 27 7.473 7.503 -0.030 1
1 283 . 7 1 1 A 27 27 SER HA H 27 4.134 4.191 -0.057 1
1 286 . 7 1 1 A 27 27 SER C C 27 177.449 177.038 0.411 1
1 287 . 7 1 1 A 27 27 SER CA C 27 61.544 60.931 0.613 1
1 288 . 7 1 1 A 27 27 SER CB C 27 62.828 62.827 0.001 1
1 289 . 7 1 1 A 27 27 SER N N 27 111.668 114.985 -3.317 1
1 290 . 7 1 1 A 28 28 LEU H H 28 7.625 7.646 -0.021 1
1 291 . 7 1 1 A 28 28 LEU HA H 28 4.117 4.056 0.061 1
1 301 . 7 1 1 A 28 28 LEU C C 28 179.076 178.755 0.321 1
1 302 . 7 1 1 A 28 28 LEU CA C 28 57.336 57.409 -0.073 1
1 303 . 7 1 1 A 28 28 LEU CB C 28 41.585 41.733 -0.148 1
1 307 . 7 1 1 A 28 28 LEU N N 28 123.121 122.498 0.623 1
1 308 . 7 1 1 A 29 29 LEU H H 29 7.391 7.367 0.024 1
1 309 . 7 1 1 A 29 29 LEU HA H 29 4.276 4.132 0.144 1
1 319 . 7 1 1 A 29 29 LEU C C 29 177.606 177.882 -0.276 1
1 320 . 7 1 1 A 29 29 LEU CA C 29 54.243 55.898 -1.655 1
1 321 . 7 1 1 A 29 29 LEU CB C 29 41.665 42.191 -0.526 1
1 325 . 7 1 1 A 29 29 LEU N N 29 119.910 119.331 0.579 1
1 326 . 7 1 1 A 30 30 ALA H H 30 7.242 8.511 -1.269 1
1 327 . 7 1 1 A 30 30 ALA HA H 30 3.505 3.944 -0.439 1
1 331 . 7 1 1 A 30 30 ALA C C 30 179.568 179.478 0.090 1
1 332 . 7 1 1 A 30 30 ALA CA C 30 56.470 55.412 1.058 1
1 333 . 7 1 1 A 30 30 ALA CB C 30 18.818 18.709 0.109 1
1 334 . 7 1 1 A 30 30 ALA N N 30 122.470 121.989 0.481 1
1 335 . 7 1 1 A 31 31 ARG H H 31 8.256 7.847 0.409 1
1 336 . 7 1 1 A 31 31 ARG HA H 31 4.142 4.091 0.051 1
1 343 . 7 1 1 A 31 31 ARG C C 31 179.303 178.273 1.030 1
1 344 . 7 1 1 A 31 31 ARG CA C 31 58.917 58.799 0.118 1
1 345 . 7 1 1 A 31 31 ARG CB C 31 29.407 30.175 -0.768 1
1 348 . 7 1 1 A 31 31 ARG N N 31 116.240 117.161 -0.921 1
1 349 . 7 1 1 A 32 32 ASP H H 32 8.205 8.174 0.031 1
1 350 . 7 1 1 A 32 32 ASP HA H 32 4.334 4.312 0.022 1
1 353 . 7 1 1 A 32 32 ASP C C 32 177.470 178.831 -1.361 1
1 354 . 7 1 1 A 32 32 ASP CA C 32 57.336 57.247 0.089 1
1 355 . 7 1 1 A 32 32 ASP CB C 32 41.582 40.794 0.788 1
1 356 . 7 1 1 A 32 32 ASP N N 32 120.398 120.190 0.208 1
1 357 . 7 1 1 A 33 33 LEU H H 33 7.933 8.083 -0.150 1
1 358 . 7 1 1 A 33 33 LEU HA H 33 4.206 4.141 0.065 1
1 368 . 7 1 1 A 33 33 LEU C C 33 175.261 176.199 -0.938 1
1 369 . 7 1 1 A 33 33 LEU CA C 33 53.700 55.421 -1.721 1
1 370 . 7 1 1 A 33 33 LEU CB C 33 41.306 42.000 -0.694 1
1 374 . 7 1 1 A 33 33 LEU N N 33 113.338 118.395 -5.057 1
1 375 . 7 1 1 A 34 34 ASN H H 34 7.688 7.919 -0.231 1
1 376 . 7 1 1 A 34 34 ASN HA H 34 4.307 4.579 -0.272 1
1 381 . 7 1 1 A 34 34 ASN C C 34 175.092 174.633 0.459 1
1 382 . 7 1 1 A 34 34 ASN CA C 34 53.960 54.333 -0.373 1
1 383 . 7 1 1 A 34 34 ASN CB C 34 37.073 36.940 0.133 1
1 384 . 7 1 1 A 34 34 ASN N N 34 116.912 115.316 1.596 1
1 386 . 7 1 1 A 35 35 LEU H H 35 8.177 7.940 0.237 1
1 387 . 7 1 1 A 35 35 LEU HA H 35 4.008 4.395 -0.387 1
1 397 . 7 1 1 A 35 35 LEU C C 35 177.637 176.666 0.971 1
1 398 . 7 1 1 A 35 35 LEU CA C 35 54.233 55.118 -0.885 1
1 399 . 7 1 1 A 35 35 LEU CB C 35 41.024 42.438 -1.414 1
1 403 . 7 1 1 A 35 35 LEU N N 35 115.363 118.730 -3.367 1
1 404 . 7 1 1 A 36 36 GLU H H 36 8.419 9.100 -0.681 1
1 405 . 7 1 1 A 36 36 GLU HA H 36 4.175 4.363 -0.188 1
1 410 . 7 1 1 A 36 36 GLU C C 36 177.626 177.776 -0.150 1
1 411 . 7 1 1 A 36 36 GLU CA C 36 56.872 56.268 0.604 1
1 412 . 7 1 1 A 36 36 GLU CB C 36 29.675 29.682 -0.007 1
1 414 . 7 1 1 A 36 36 GLU N N 36 122.591 121.627 0.964 1
1 415 . 7 1 1 A 37 37 ARG H H 37 8.577 8.719 -0.142 1
1 416 . 7 1 1 A 37 37 ARG HA H 37 3.889 4.061 -0.172 1
1 423 . 7 1 1 A 37 37 ARG C C 37 178.119 177.790 0.329 1
1 424 . 7 1 1 A 37 37 ARG CA C 37 58.924 58.799 0.125 1
1 425 . 7 1 1 A 37 37 ARG CB C 37 30.074 29.698 0.376 1
1 428 . 7 1 1 A 37 37 ARG N N 37 124.790 125.323 -0.533 1
1 429 . 7 1 1 A 38 38 ASP H H 38 8.623 7.925 0.698 1
1 430 . 7 1 1 A 38 38 ASP HA H 38 4.591 4.652 -0.061 1
1 433 . 7 1 1 A 38 38 ASP C C 38 176.021 176.668 -0.647 1
1 434 . 7 1 1 A 38 38 ASP CA C 38 55.073 56.051 -0.978 1
1 435 . 7 1 1 A 38 38 ASP CB C 38 40.722 41.500 -0.778 1
1 436 . 7 1 1 A 38 38 ASP N N 38 116.313 119.261 -2.948 1
1 437 . 7 1 1 A 39 39 ASN H H 39 7.668 7.799 -0.131 1
1 438 . 7 1 1 A 39 39 ASN HA H 39 4.936 4.883 0.053 1
1 443 . 7 1 1 A 39 39 ASN C C 39 175.702 175.868 -0.166 1
1 444 . 7 1 1 A 39 39 ASN CA C 39 52.626 51.792 0.834 1
1 445 . 7 1 1 A 39 39 ASN CB C 39 38.966 38.460 0.506 1
1 446 . 7 1 1 A 39 39 ASN N N 39 116.330 116.417 -0.087 1
1 448 . 7 1 1 A 40 40 GLN H H 40 8.324 8.014 0.310 1
1 449 . 7 1 1 A 40 40 GLN HA H 40 4.285 4.342 -0.057 1
1 456 . 7 1 1 A 40 40 GLN C C 40 178.897 178.693 0.204 1
1 457 . 7 1 1 A 40 40 GLN CA C 40 58.513 57.862 0.651 1
1 458 . 7 1 1 A 40 40 GLN CB C 40 29.225 28.490 0.735 1
1 460 . 7 1 1 A 40 40 GLN N N 40 119.556 123.090 -3.534 1
1 462 . 7 1 1 A 41 41 GLU H H 41 8.956 8.062 0.894 1
1 463 . 7 1 1 A 41 41 GLU HA H 41 3.950 4.159 -0.209 1
1 468 . 7 1 1 A 41 41 GLU C C 41 176.712 179.107 -2.395 1
1 469 . 7 1 1 A 41 41 GLU CA C 41 58.716 59.186 -0.470 1
1 470 . 7 1 1 A 41 41 GLU CB C 41 29.124 29.648 -0.524 1
1 472 . 7 1 1 A 41 41 GLU N N 41 121.919 120.539 1.380 1
1 473 . 7 1 1 A 42 42 GLN H H 42 7.634 8.156 -0.522 1
1 474 . 7 1 1 A 42 42 GLN HA H 42 4.052 4.118 -0.066 1
1 481 . 7 1 1 A 42 42 GLN C C 42 176.286 176.140 0.146 1
1 482 . 7 1 1 A 42 42 GLN CA C 42 56.859 57.792 -0.933 1
1 483 . 7 1 1 A 42 42 GLN CB C 42 28.418 28.027 0.391 1
1 485 . 7 1 1 A 42 42 GLN N N 42 114.515 118.128 -3.613 1
1 487 . 7 1 1 A 43 43 TYR H H 43 6.692 7.712 -1.020 1
1 488 . 7 1 1 A 43 43 TYR HA H 43 4.866 4.640 0.226 1
1 495 . 7 1 1 A 43 43 TYR C C 43 177.063 175.466 1.597 1
1 496 . 7 1 1 A 43 43 TYR CA C 43 58.627 58.754 -0.127 1
1 497 . 7 1 1 A 43 43 TYR CB C 43 39.628 39.621 0.007 1
1 502 . 7 1 1 A 43 43 TYR N N 43 116.167 119.921 -3.754 1
1 503 . 7 1 1 A 44 44 THR H H 44 8.785 8.795 -0.010 1
1 504 . 7 1 1 A 44 44 THR HA H 44 4.800 5.325 -0.525 1
1 509 . 7 1 1 A 44 44 THR C C 44 176.061 175.787 0.274 1
1 510 . 7 1 1 A 44 44 THR CA C 44 60.519 59.866 0.653 1
1 511 . 7 1 1 A 44 44 THR CB C 44 71.926 71.917 0.009 1
1 513 . 7 1 1 A 44 44 THR N N 44 116.779 111.356 5.423 1
1 514 . 7 1 1 A 45 45 THR H H 45 8.849 8.774 0.075 1
1 515 . 7 1 1 A 45 45 THR HA H 45 3.626 3.908 -0.282 1
1 520 . 7 1 1 A 45 45 THR C C 45 176.458 176.347 0.111 1
1 521 . 7 1 1 A 45 45 THR CA C 45 65.716 65.959 -0.243 1
1 522 . 7 1 1 A 45 45 THR CB C 45 67.141 68.045 -0.904 1
1 524 . 7 1 1 A 45 45 THR N N 45 112.579 115.309 -2.730 1
1 525 . 7 1 1 A 46 46 ILE H H 46 7.144 7.844 -0.700 1
1 526 . 7 1 1 A 46 46 ILE HA H 46 3.803 3.620 0.183 1
1 536 . 7 1 1 A 46 46 ILE C C 46 177.573 177.815 -0.242 1
1 537 . 7 1 1 A 46 46 ILE CA C 46 64.078 65.301 -1.223 1
1 538 . 7 1 1 A 46 46 ILE CB C 46 38.733 37.671 1.062 1
1 542 . 7 1 1 A 46 46 ILE N N 46 119.409 123.159 -3.750 1
1 543 . 7 1 1 A 47 47 GLN H H 47 7.552 7.930 -0.378 1
1 544 . 7 1 1 A 47 47 GLN HA H 47 4.124 3.990 0.134 1
1 551 . 7 1 1 A 47 47 GLN C C 47 179.640 178.760 0.880 1
1 552 . 7 1 1 A 47 47 GLN CA C 47 59.282 59.067 0.215 1
1 553 . 7 1 1 A 47 47 GLN CB C 47 29.242 28.405 0.837 1
1 555 . 7 1 1 A 47 47 GLN N N 47 119.564 118.595 0.969 1
1 557 . 7 1 1 A 48 48 ILE H H 48 8.520 8.132 0.388 1
1 558 . 7 1 1 A 48 48 ILE HA H 48 3.861 3.697 0.164 1
1 568 . 7 1 1 A 48 48 ILE C C 48 177.779 178.054 -0.275 1
1 569 . 7 1 1 A 48 48 ILE CA C 48 61.208 65.315 -4.107 1
1 570 . 7 1 1 A 48 48 ILE CB C 48 34.654 38.035 -3.381 1
1 574 . 7 1 1 A 48 48 ILE N N 48 118.052 121.322 -3.270 1
1 575 . 7 1 1 A 49 49 ALA H H 49 8.826 8.315 0.511 1
1 576 . 7 1 1 A 49 49 ALA HA H 49 4.071 4.143 -0.072 1
1 580 . 7 1 1 A 49 49 ALA C C 49 179.849 180.172 -0.323 1
1 581 . 7 1 1 A 49 49 ALA CA C 49 55.909 55.815 0.094 1
1 582 . 7 1 1 A 49 49 ALA CB C 49 18.289 18.471 -0.182 1
1 583 . 7 1 1 A 49 49 ALA N N 49 123.182 122.342 0.840 1
1 584 . 7 1 1 A 50 50 ASN H H 50 8.319 8.288 0.031 1
1 585 . 7 1 1 A 50 50 ASN HA H 50 4.517 4.485 0.032 1
1 590 . 7 1 1 A 50 50 ASN CA C 50 56.309 56.693 -0.384 1
1 591 . 7 1 1 A 50 50 ASN CB C 50 38.198 37.940 0.258 1
1 592 . 7 1 1 A 50 50 ASN N N 50 116.379 117.448 -1.069 1
1 594 . 7 1 1 A 51 51 MET H H 51 8.233 7.957 0.276 1
1 595 . 7 1 1 A 51 51 MET HA H 51 4.132 4.177 -0.045 1
1 603 . 7 1 1 A 51 51 MET CA C 51 59.312 58.661 0.651 1
1 604 . 7 1 1 A 51 51 MET CB C 51 34.763 32.510 2.253 1
1 607 . 7 1 1 A 51 51 MET N N 51 119.934 118.985 0.949 1
1 608 . 7 1 1 A 52 52 MET H H 52 8.926 8.394 0.532 1
1 609 . 7 1 1 A 52 52 MET HA H 52 3.874 4.446 -0.572 1
1 617 . 7 1 1 A 52 52 MET C C 52 177.228 178.606 -1.378 1
1 618 . 7 1 1 A 52 52 MET CA C 52 60.218 57.924 2.294 1
1 619 . 7 1 1 A 52 52 MET CB C 52 33.427 31.417 2.010 1
1 622 . 7 1 1 A 52 52 MET N N 52 120.686 118.933 1.753 1
1 623 . 7 1 1 A 53 53 GLU H H 53 8.111 8.155 -0.044 1
1 624 . 7 1 1 A 53 53 GLU HA H 53 3.863 4.107 -0.244 1
1 629 . 7 1 1 A 53 53 GLU C C 53 177.640 178.641 -1.001 1
1 630 . 7 1 1 A 53 53 GLU CA C 53 59.847 59.621 0.226 1
1 631 . 7 1 1 A 53 53 GLU CB C 53 29.778 29.313 0.465 1
1 633 . 7 1 1 A 53 53 GLU N N 53 119.207 118.851 0.356 1
1 634 . 7 1 1 A 54 54 GLU H H 54 7.030 7.678 -0.648 1
1 635 . 7 1 1 A 54 54 GLU HA H 54 4.014 4.118 -0.104 1
1 640 . 7 1 1 A 54 54 GLU C C 54 178.008 178.691 -0.683 1
1 641 . 7 1 1 A 54 54 GLU CA C 54 58.211 59.234 -1.023 1
1 642 . 7 1 1 A 54 54 GLU CB C 54 30.149 29.686 0.463 1
1 644 . 7 1 1 A 54 54 GLU N N 54 115.049 118.661 -3.612 1
1 645 . 7 1 1 A 55 55 LYS H H 55 7.670 7.689 -0.019 1
1 646 . 7 1 1 A 55 55 LYS HA H 55 3.930 3.836 0.094 1
1 655 . 7 1 1 A 55 55 LYS C C 55 175.986 176.262 -0.276 1
1 656 . 7 1 1 A 55 55 LYS CA C 55 56.405 58.448 -2.043 1
1 657 . 7 1 1 A 55 55 LYS CB C 55 32.705 32.066 0.639 1
1 661 . 7 1 1 A 55 55 LYS N N 55 117.040 120.076 -3.036 1
1 662 . 7 1 1 A 56 56 PHE H H 56 8.079 8.299 -0.220 1
1 663 . 7 1 1 A 56 56 PHE HA H 56 5.215 5.081 0.134 1
1 671 . 7 1 1 A 56 56 PHE CA C 56 53.965 54.934 -0.969 1
1 672 . 7 1 1 A 56 56 PHE CB C 56 38.759 39.129 -0.370 1
1 678 . 7 1 1 A 56 56 PHE N N 56 117.341 116.305 1.036 1
1 679 . 7 1 1 A 57 57 PRO HA H 57 4.514 4.546 -0.032 1
1 686 . 7 1 1 A 57 57 PRO CA C 57 64.818 64.221 0.597 1
1 687 . 7 1 1 A 57 57 PRO CB C 57 32.192 31.950 0.242 1
1 690 . 7 1 1 A 58 58 ALA H H 58 8.619 8.325 0.294 1
1 691 . 7 1 1 A 58 58 ALA HA H 58 4.206 4.112 0.094 1
1 695 . 7 1 1 A 58 58 ALA CA C 58 55.406 55.283 0.123 1
1 696 . 7 1 1 A 58 58 ALA CB C 58 18.353 18.544 -0.191 1
1 697 . 7 1 1 A 58 58 ALA N N 58 120.173 120.730 -0.557 1
1 698 . 7 1 1 A 59 59 ASP H H 59 7.515 8.013 -0.498 1
1 699 . 7 1 1 A 59 59 ASP HA H 59 4.810 4.707 0.103 1
1 702 . 7 1 1 A 59 59 ASP CA C 59 52.659 53.000 -0.341 1
1 703 . 7 1 1 A 59 59 ASP CB C 59 41.778 42.404 -0.626 1
1 704 . 7 1 1 A 59 59 ASP N N 59 113.536 114.259 -0.723 1
1 705 . 7 1 1 A 60 60 SER H H 60 8.392 8.651 -0.259 1
1 706 . 7 1 1 A 60 60 SER HA H 60 4.176 4.666 -0.490 1
1 709 . 7 1 1 A 60 60 SER CA C 60 60.221 59.604 0.617 1
1 710 . 7 1 1 A 60 60 SER CB C 60 62.050 61.627 0.423 1
1 711 . 7 1 1 A 60 60 SER N N 60 113.717 111.497 2.220 1
1 712 . 7 1 1 A 61 61 GLY H H 61 8.299 8.783 -0.484 1
1 713 . 7 1 1 A 61 61 GLY HA2 H 61 4.005 3.976 0.029 1
1 714 . 7 1 1 A 61 61 GLY HA3 H 61 3.502 4.077 -0.575 1
1 715 . 7 1 1 A 61 61 GLY CA C 61 45.554 45.189 0.365 1
1 716 . 7 1 1 A 61 61 GLY N N 61 104.225 106.479 -2.254 1
1 717 . 7 1 1 A 62 62 LEU H H 62 7.927 7.600 0.327 1
1 718 . 7 1 1 A 62 62 LEU HA H 62 3.915 4.024 -0.109 1
1 728 . 7 1 1 A 62 62 LEU CA C 62 58.075 57.867 0.208 1
1 729 . 7 1 1 A 62 62 LEU CB C 62 41.731 41.980 -0.249 1
1 733 . 7 1 1 A 62 62 LEU N N 62 122.094 122.735 -0.641 1
1 734 . 7 1 1 A 63 63 GLY H H 63 8.566 8.196 0.370 1
1 735 . 7 1 1 A 63 63 GLY HA2 H 63 3.847 3.666 0.181 1
1 736 . 7 1 1 A 63 63 GLY HA3 H 63 3.592 3.671 -0.079 1
1 737 . 7 1 1 A 63 63 GLY CA C 63 47.146 47.068 0.078 1
1 738 . 7 1 1 A 63 63 GLY N N 63 105.732 106.493 -0.761 1
1 739 . 7 1 1 A 64 64 LYS H H 64 7.509 8.157 -0.648 1
1 740 . 7 1 1 A 64 64 LYS HA H 64 4.115 3.957 0.158 1
1 749 . 7 1 1 A 64 64 LYS C C 64 179.856 178.963 0.893 1
1 750 . 7 1 1 A 64 64 LYS CA C 64 57.768 59.208 -1.440 1
1 751 . 7 1 1 A 64 64 LYS CB C 64 31.542 32.119 -0.577 1
1 755 . 7 1 1 A 64 64 LYS N N 64 120.697 121.950 -1.253 1
1 756 . 7 1 1 A 65 65 LEU H H 65 7.544 7.956 -0.412 1
1 757 . 7 1 1 A 65 65 LEU HA H 65 4.219 3.441 0.778 1
1 767 . 7 1 1 A 65 65 LEU C C 65 178.606 178.335 0.271 1
1 768 . 7 1 1 A 65 65 LEU CA C 65 57.675 57.797 -0.122 1
1 769 . 7 1 1 A 65 65 LEU CB C 65 41.040 41.612 -0.572 1
1 773 . 7 1 1 A 65 65 LEU N N 65 120.399 120.586 -0.187 1
1 774 . 7 1 1 A 66 66 ILE H H 66 8.605 8.084 0.521 1
1 775 . 7 1 1 A 66 66 ILE HA H 66 3.271 3.624 -0.353 1
1 785 . 7 1 1 A 66 66 ILE C C 66 176.721 177.847 -1.126 1
1 786 . 7 1 1 A 66 66 ILE CA C 66 67.612 65.309 2.303 1
1 787 . 7 1 1 A 66 66 ILE CB C 66 38.006 37.615 0.391 1
1 791 . 7 1 1 A 66 66 ILE N N 66 121.170 119.641 1.529 1
1 792 . 7 1 1 A 67 67 GLU H H 67 8.157 7.984 0.173 1
1 793 . 7 1 1 A 67 67 GLU HA H 67 4.007 4.096 -0.089 1
1 798 . 7 1 1 A 67 67 GLU C C 67 178.848 179.189 -0.341 1
1 799 . 7 1 1 A 67 67 GLU CA C 67 59.476 59.747 -0.271 1
1 800 . 7 1 1 A 67 67 GLU CB C 67 30.055 29.415 0.640 1
1 802 . 7 1 1 A 67 67 GLU N N 67 118.066 119.123 -1.057 1
1 803 . 7 1 1 A 68 68 PHE H H 68 7.673 8.038 -0.365 1
1 804 . 7 1 1 A 68 68 PHE HA H 68 4.393 4.013 0.380 1
1 812 . 7 1 1 A 68 68 PHE C C 68 176.609 177.420 -0.811 1
1 813 . 7 1 1 A 68 68 PHE CA C 68 60.660 61.548 -0.888 1
1 814 . 7 1 1 A 68 68 PHE CB C 68 39.666 39.338 0.328 1
1 820 . 7 1 1 A 68 68 PHE N N 68 119.383 120.958 -1.575 1
1 821 . 7 1 1 A 69 69 CYS H H 69 8.137 8.151 -0.014 1
1 822 . 7 1 1 A 69 69 CYS HA H 69 3.714 3.960 -0.246 1
1 825 . 7 1 1 A 69 69 CYS C C 69 175.221 177.033 -1.812 1
1 826 . 7 1 1 A 69 69 CYS CA C 69 62.782 62.816 -0.034 1
1 827 . 7 1 1 A 69 69 CYS CB C 69 26.732 26.723 0.009 1
1 828 . 7 1 1 A 69 69 CYS N N 69 115.218 116.718 -1.500 1
1 829 . 7 1 1 A 70 70 GLU H H 70 8.108 8.262 -0.154 1
1 830 . 7 1 1 A 70 70 GLU HA H 70 3.739 3.913 -0.174 1
1 835 . 7 1 1 A 70 70 GLU C C 70 178.404 178.495 -0.091 1
1 836 . 7 1 1 A 70 70 GLU CA C 70 58.839 59.319 -0.480 1
1 837 . 7 1 1 A 70 70 GLU CB C 70 30.149 29.151 0.998 1
1 839 . 7 1 1 A 70 70 GLU N N 70 113.937 120.073 -6.136 1
1 840 . 7 1 1 A 71 71 GLU H H 71 7.306 8.101 -0.795 1
1 841 . 7 1 1 A 71 71 GLU HA H 71 4.148 4.085 0.063 1
1 846 . 7 1 1 A 71 71 GLU C C 71 176.363 176.649 -0.286 1
1 847 . 7 1 1 A 71 71 GLU CA C 71 56.943 59.161 -2.218 1
1 848 . 7 1 1 A 71 71 GLU CB C 71 30.374 29.032 1.342 1
1 850 . 7 1 1 A 71 71 GLU N N 71 117.591 117.952 -0.361 1
1 851 . 7 1 1 A 72 72 VAL H H 72 7.055 7.466 -0.411 1
1 852 . 7 1 1 A 72 72 VAL HA H 72 4.220 4.036 0.184 1
1 860 . 7 1 1 A 72 72 VAL C C 72 174.906 175.666 -0.760 1
1 861 . 7 1 1 A 72 72 VAL CA C 72 59.360 59.766 -0.406 1
1 862 . 7 1 1 A 72 72 VAL CB C 72 33.462 31.492 1.970 1
1 865 . 7 1 1 A 72 72 VAL N N 72 122.531 121.714 0.817 1
1 866 . 7 1 1 A 73 73 PRO HA H 73 3.887 4.465 -0.578 1
1 873 . 7 1 1 A 73 73 PRO C C 73 179.162 177.247 1.915 1
1 874 . 7 1 1 A 73 73 PRO CA C 73 66.658 64.086 2.572 1
1 875 . 7 1 1 A 73 73 PRO CB C 73 31.819 31.697 0.122 1
1 878 . 7 1 1 A 74 74 ALA H H 74 8.188 8.190 -0.002 1
1 879 . 7 1 1 A 74 74 ALA HA H 74 4.217 4.325 -0.108 1
1 883 . 7 1 1 A 74 74 ALA C C 74 178.535 178.226 0.309 1
1 884 . 7 1 1 A 74 74 ALA CA C 74 54.149 53.234 0.915 1
1 885 . 7 1 1 A 74 74 ALA CB C 74 19.305 19.517 -0.212 1
1 886 . 7 1 1 A 74 74 ALA N N 74 116.317 120.880 -4.563 1
1 887 . 7 1 1 A 75 75 LEU H H 75 8.188 7.260 0.928 1
1 888 . 7 1 1 A 75 75 LEU HA H 75 4.607 4.297 0.310 1
1 898 . 7 1 1 A 75 75 LEU C C 75 177.094 177.793 -0.699 1
1 899 . 7 1 1 A 75 75 LEU CA C 75 53.645 54.892 -1.247 1
1 900 . 7 1 1 A 75 75 LEU CB C 75 42.633 42.350 0.283 1
1 904 . 7 1 1 A 75 75 LEU N N 75 116.296 114.884 1.412 1
1 905 . 7 1 1 A 76 76 ARG H H 76 7.332 7.859 -0.527 1
1 906 . 7 1 1 A 76 76 ARG HA H 76 3.789 3.853 -0.064 1
1 913 . 7 1 1 A 76 76 ARG C C 76 179.457 178.709 0.748 1
1 914 . 7 1 1 A 76 76 ARG CA C 76 60.815 60.037 0.778 1
1 915 . 7 1 1 A 76 76 ARG CB C 76 29.535 29.808 -0.273 1
1 918 . 7 1 1 A 76 76 ARG N N 76 122.654 119.068 3.586 1
1 919 . 7 1 1 A 77 77 LYS H H 77 8.489 7.988 0.501 1
1 920 . 7 1 1 A 77 77 LYS HA H 77 4.118 3.941 0.177 1
1 929 . 7 1 1 A 77 77 LYS C C 77 179.135 178.981 0.154 1
1 930 . 7 1 1 A 77 77 LYS CA C 77 58.963 59.481 -0.518 1
1 931 . 7 1 1 A 77 77 LYS CB C 77 31.113 32.402 -1.289 1
1 935 . 7 1 1 A 77 77 LYS N N 77 119.343 119.571 -0.228 1
1 936 . 7 1 1 A 78 78 ARG H H 78 7.626 7.961 -0.335 1
1 937 . 7 1 1 A 78 78 ARG HA H 78 3.931 4.067 -0.136 1
1 944 . 7 1 1 A 78 78 ARG C C 78 178.200 179.178 -0.978 1
1 945 . 7 1 1 A 78 78 ARG CA C 78 56.415 59.020 -2.605 1
1 946 . 7 1 1 A 78 78 ARG CB C 78 27.010 29.974 -2.964 1
1 949 . 7 1 1 A 78 78 ARG N N 78 120.202 119.281 0.921 1
1 950 . 7 1 1 A 79 79 ALA H H 79 8.138 8.253 -0.115 1
1 951 . 7 1 1 A 79 79 ALA HA H 79 3.837 4.054 -0.217 1
1 955 . 7 1 1 A 79 79 ALA C C 79 178.684 179.885 -1.201 1
1 956 . 7 1 1 A 79 79 ALA CA C 79 55.692 55.084 0.608 1
1 957 . 7 1 1 A 79 79 ALA CB C 79 18.376 18.668 -0.292 1
1 958 . 7 1 1 A 79 79 ALA N N 79 120.388 122.105 -1.717 1
1 959 . 7 1 1 A 80 80 GLU H H 80 7.437 8.098 -0.661 1
1 960 . 7 1 1 A 80 80 GLU HA H 80 3.877 4.075 -0.198 1
1 965 . 7 1 1 A 80 80 GLU C C 80 179.640 178.843 0.797 1
1 966 . 7 1 1 A 80 80 GLU CA C 80 59.370 59.240 0.130 1
1 967 . 7 1 1 A 80 80 GLU CB C 80 29.445 29.412 0.033 1
1 969 . 7 1 1 A 80 80 GLU N N 80 115.384 116.622 -1.238 1
1 970 . 7 1 1 A 81 81 ILE H H 81 7.721 7.512 0.209 1
1 971 . 7 1 1 A 81 81 ILE HA H 81 3.675 3.631 0.044 1
1 981 . 7 1 1 A 81 81 ILE C C 81 178.179 178.572 -0.393 1
1 982 . 7 1 1 A 81 81 ILE CA C 81 65.187 65.555 -0.368 1
1 983 . 7 1 1 A 81 81 ILE CB C 81 38.471 37.703 0.768 1
1 987 . 7 1 1 A 81 81 ILE N N 81 121.563 121.417 0.146 1
1 988 . 7 1 1 A 82 82 LEU H H 82 8.374 8.471 -0.097 1
1 989 . 7 1 1 A 82 82 LEU HA H 82 3.930 3.891 0.039 1
1 999 . 7 1 1 A 82 82 LEU C C 82 179.279 179.120 0.159 1
1 1000 . 7 1 1 A 82 82 LEU CA C 82 58.038 57.992 0.046 1
1 1001 . 7 1 1 A 82 82 LEU CB C 82 42.869 41.229 1.640 1
1 1005 . 7 1 1 A 82 82 LEU N N 82 119.839 120.181 -0.342 1
1 1006 . 7 1 1 A 83 83 LYS H H 83 8.153 8.082 0.071 1
1 1007 . 7 1 1 A 83 83 LYS HA H 83 3.740 3.844 -0.104 1
1 1016 . 7 1 1 A 83 83 LYS C C 83 179.548 178.649 0.899 1
1 1017 . 7 1 1 A 83 83 LYS CA C 83 60.433 60.418 0.015 1
1 1018 . 7 1 1 A 83 83 LYS CB C 83 32.703 32.333 0.370 1
1 1022 . 7 1 1 A 83 83 LYS N N 83 117.092 118.029 -0.937 1
1 1023 . 7 1 1 A 84 84 LYS H H 84 7.705 7.866 -0.161 1
1 1024 . 7 1 1 A 84 84 LYS HA H 84 4.101 3.896 0.205 1
1 1033 . 7 1 1 A 84 84 LYS C C 84 179.082 178.966 0.116 1
1 1034 . 7 1 1 A 84 84 LYS CA C 84 59.120 59.929 -0.809 1
1 1035 . 7 1 1 A 84 84 LYS CB C 84 32.291 32.346 -0.055 1
1 1039 . 7 1 1 A 84 84 LYS N N 84 121.473 120.327 1.146 1
1 1040 . 7 1 1 A 85 85 GLU H H 85 8.567 7.760 0.807 1
1 1041 . 7 1 1 A 85 85 GLU HA H 85 4.013 4.097 -0.084 1
1 1046 . 7 1 1 A 85 85 GLU CA C 85 59.360 59.365 -0.005 1
1 1047 . 7 1 1 A 85 85 GLU CB C 85 30.033 29.345 0.688 1
1 1049 . 7 1 1 A 85 85 GLU N N 85 119.645 118.379 1.266 1
1 1050 . 7 1 1 A 86 86 ARG H H 86 8.467 7.964 0.503 1
1 1051 . 7 1 1 A 86 86 ARG HA H 86 4.030 4.106 -0.076 1
1 1058 . 7 1 1 A 86 86 ARG C C 86 177.790 175.821 1.969 1
1 1059 . 7 1 1 A 86 86 ARG CA C 86 58.556 58.773 -0.217 1
1 1060 . 7 1 1 A 86 86 ARG CB C 86 30.377 29.900 0.477 1
1 1063 . 7 1 1 A 86 86 ARG N N 86 119.408 121.024 -1.616 1
1 1064 . 7 1 1 A 87 87 SER H H 87 7.851 7.943 -0.092 1
1 1065 . 7 1 1 A 87 87 SER HA H 87 4.369 4.881 -0.512 1
1 1068 . 7 1 1 A 87 87 SER C C 87 175.282 173.117 2.165 1
1 1069 . 7 1 1 A 87 87 SER CA C 87 60.271 56.515 3.756 1
1 1070 . 7 1 1 A 87 87 SER CB C 87 63.601 64.733 -1.132 1
1 1071 . 7 1 1 A 87 87 SER N N 87 115.071 114.075 0.996 1
1 1072 . 7 1 1 A 88 88 GLU H H 88 7.891 8.863 -0.972 1
1 1073 . 7 1 1 A 88 88 GLU HA H 88 4.316 4.666 -0.350 1
1 1078 . 7 1 1 A 88 88 GLU C C 88 176.801 176.516 0.285 1
1 1079 . 7 1 1 A 88 88 GLU CA C 88 57.036 55.033 2.003 1
1 1080 . 7 1 1 A 88 88 GLU CB C 88 30.024 30.843 -0.819 1
1 1082 . 7 1 1 A 88 88 GLU N N 88 121.067 127.479 -6.412 1
1 1083 . 7 1 1 A 89 89 SER H H 89 7.934 8.453 -0.519 1
1 1084 . 7 1 1 A 89 89 SER HA H 89 4.503 4.060 0.443 1
1 1087 . 7 1 1 A 89 89 SER C C 89 174.624 174.003 0.621 1
1 1088 . 7 1 1 A 89 89 SER CA C 89 58.875 58.964 -0.089 1
1 1089 . 7 1 1 A 89 89 SER CB C 89 64.040 61.415 2.625 1
1 1090 . 7 1 1 A 89 89 SER N N 89 115.241 116.555 -1.314 1
1 1091 . 7 1 1 A 90 90 GLY H H 90 8.062 8.010 0.052 1
1 1092 . 7 1 1 A 90 90 GLY HA2 H 90 4.210 4.017 0.193 1
1 1093 . 7 1 1 A 90 90 GLY HA3 H 90 4.083 4.017 0.066 1
1 1094 . 7 1 1 A 90 90 GLY C C 90 171.774 174.424 -2.650 1
1 1095 . 7 1 1 A 90 90 GLY CA C 90 44.872 44.947 -0.075 1
1 1096 . 7 1 1 A 90 90 GLY N N 90 110.384 109.204 1.180 1
1 1097 . 7 1 1 A 91 91 PRO HA H 91 4.495 4.358 0.137 1
1 1104 . 7 1 1 A 91 91 PRO C C 91 177.475 176.812 0.663 1
1 1105 . 7 1 1 A 91 91 PRO CA C 91 63.295 65.086 -1.791 1
1 1106 . 7 1 1 A 91 91 PRO CB C 91 32.234 31.871 0.363 1
1 1109 . 7 1 1 A 92 92 SER H H 92 8.557 7.808 0.749 1
1 1110 . 7 1 1 A 92 92 SER HA H 92 4.575 4.451 0.124 1
1 1113 . 7 1 1 A 92 92 SER C C 92 174.736 174.097 0.639 1
1 1114 . 7 1 1 A 92 92 SER CA C 92 58.380 58.247 0.133 1
1 1115 . 7 1 1 A 92 92 SER CB C 92 64.221 63.574 0.647 1
1 1 . 8 1 1 A 6 6 SER H H 6 8.063 8.624 -0.561 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.493 4.729 -0.236 1
1 5 . 8 1 1 A 6 6 SER CA C 6 59.071 56.962 2.109 1
1 6 . 8 1 1 A 6 6 SER CB C 6 63.626 62.753 0.873 1
1 7 . 8 1 1 A 7 7 GLY H H 7 8.424 8.670 -0.246 1
1 8 . 8 1 1 A 7 7 GLY HA2 H 7 3.985 3.938 0.047 1
1 9 . 8 1 1 A 7 7 GLY HA3 H 7 3.834 3.938 -0.104 1
1 10 . 8 1 1 A 7 7 GLY CA C 7 47.092 46.660 0.432 1
1 11 . 8 1 1 A 7 7 GLY N N 7 109.548 110.093 -0.545 1
1 12 . 8 1 1 A 8 8 ILE H H 8 7.565 7.683 -0.118 1
1 13 . 8 1 1 A 8 8 ILE HA H 8 3.883 4.911 -1.028 1
1 23 . 8 1 1 A 8 8 ILE CA C 8 63.805 59.423 4.382 1
1 24 . 8 1 1 A 8 8 ILE CB C 8 37.866 41.166 -3.300 1
1 28 . 8 1 1 A 8 8 ILE N N 8 123.348 120.970 2.378 1
1 29 . 8 1 1 A 9 9 VAL H H 9 7.538 8.397 -0.859 1
1 30 . 8 1 1 A 9 9 VAL HA H 9 3.471 4.704 -1.233 1
1 38 . 8 1 1 A 9 9 VAL CA C 9 66.382 60.264 6.118 1
1 39 . 8 1 1 A 9 9 VAL CB C 9 31.755 35.075 -3.320 1
1 42 . 8 1 1 A 9 9 VAL N N 9 121.471 122.119 -0.648 1
1 43 . 8 1 1 A 10 10 LEU H H 10 7.941 8.690 -0.749 1
1 44 . 8 1 1 A 10 10 LEU HA H 10 3.848 4.125 -0.277 1
1 54 . 8 1 1 A 10 10 LEU CA C 10 58.619 57.820 0.799 1
1 55 . 8 1 1 A 10 10 LEU CB C 10 41.377 42.011 -0.634 1
1 59 . 8 1 1 A 10 10 LEU N N 10 119.521 129.465 -9.944 1
1 60 . 8 1 1 A 11 11 LEU H H 11 8.207 7.945 0.262 1
1 61 . 8 1 1 A 11 11 LEU HA H 11 3.792 4.080 -0.288 1
1 71 . 8 1 1 A 11 11 LEU CA C 11 58.241 58.138 0.103 1
1 72 . 8 1 1 A 11 11 LEU CB C 11 41.790 41.540 0.250 1
1 76 . 8 1 1 A 11 11 LEU N N 11 119.938 119.913 0.025 1
1 77 . 8 1 1 A 12 12 ARG H H 12 7.904 8.580 -0.676 1
1 78 . 8 1 1 A 12 12 ARG HA H 12 3.966 3.963 0.003 1
1 85 . 8 1 1 A 12 12 ARG CA C 12 59.301 58.996 0.305 1
1 86 . 8 1 1 A 12 12 ARG CB C 12 30.132 29.877 0.255 1
1 89 . 8 1 1 A 12 12 ARG N N 12 116.799 119.208 -2.409 1
1 90 . 8 1 1 A 13 13 GLY H H 13 8.190 8.351 -0.161 1
1 91 . 8 1 1 A 13 13 GLY HA2 H 13 3.740 3.899 -0.159 1
1 92 . 8 1 1 A 13 13 GLY HA3 H 13 3.437 3.907 -0.470 1
1 93 . 8 1 1 A 13 13 GLY CA C 13 47.988 46.895 1.093 1
1 94 . 8 1 1 A 13 13 GLY N N 13 107.618 108.115 -0.497 1
1 95 . 8 1 1 A 14 14 LEU H H 14 8.515 7.879 0.636 1
1 96 . 8 1 1 A 14 14 LEU HA H 14 3.785 4.089 -0.304 1
1 106 . 8 1 1 A 14 14 LEU C C 14 178.232 179.354 -1.122 1
1 107 . 8 1 1 A 14 14 LEU CA C 14 57.401 57.636 -0.235 1
1 108 . 8 1 1 A 14 14 LEU CB C 14 41.981 42.324 -0.343 1
1 112 . 8 1 1 A 14 14 LEU N N 14 120.161 122.032 -1.871 1
1 113 . 8 1 1 A 15 15 GLU H H 15 7.931 8.217 -0.286 1
1 114 . 8 1 1 A 15 15 GLU HA H 15 4.030 4.098 -0.068 1
1 119 . 8 1 1 A 15 15 GLU CA C 15 57.961 58.305 -0.344 1
1 120 . 8 1 1 A 15 15 GLU CB C 15 30.140 29.132 1.008 1
1 122 . 8 1 1 A 15 15 GLU N N 15 114.703 117.250 -2.547 1
1 123 . 8 1 1 A 16 16 CYS H H 16 7.612 7.860 -0.248 1
1 124 . 8 1 1 A 16 16 CYS HA H 16 4.457 4.252 0.205 1
1 127 . 8 1 1 A 16 16 CYS CA C 16 60.982 62.214 -1.232 1
1 128 . 8 1 1 A 16 16 CYS CB C 16 27.917 27.451 0.466 1
1 129 . 8 1 1 A 16 16 CYS N N 16 114.695 117.994 -3.299 1
1 130 . 8 1 1 A 17 17 ILE H H 17 7.142 7.174 -0.032 1
1 131 . 8 1 1 A 17 17 ILE HA H 17 4.533 4.363 0.170 1
1 141 . 8 1 1 A 17 17 ILE CA C 17 61.521 60.359 1.162 1
1 142 . 8 1 1 A 17 17 ILE CB C 17 39.206 38.866 0.340 1
1 146 . 8 1 1 A 17 17 ILE N N 17 115.031 116.201 -1.170 1
1 147 . 8 1 1 A 18 18 ASN H H 18 8.325 8.858 -0.533 1
1 148 . 8 1 1 A 18 18 ASN HA H 18 4.575 4.665 -0.090 1
1 153 . 8 1 1 A 18 18 ASN C C 18 175.171 177.030 -1.859 1
1 154 . 8 1 1 A 18 18 ASN CA C 18 53.278 53.608 -0.330 1
1 155 . 8 1 1 A 18 18 ASN CB C 18 38.419 40.347 -1.928 1
1 156 . 8 1 1 A 18 18 ASN N N 18 119.943 125.213 -5.270 1
1 158 . 8 1 1 A 19 19 LYS H H 19 8.514 8.969 -0.455 1
1 159 . 8 1 1 A 19 19 LYS HA H 19 4.242 4.235 0.007 1
1 168 . 8 1 1 A 19 19 LYS C C 19 178.868 178.903 -0.035 1
1 169 . 8 1 1 A 19 19 LYS CA C 19 60.006 59.042 0.964 1
1 170 . 8 1 1 A 19 19 LYS CB C 19 32.291 32.213 0.078 1
1 174 . 8 1 1 A 19 19 LYS N N 19 118.191 125.044 -6.853 1
1 175 . 8 1 1 A 20 20 HIS H H 20 8.328 8.302 0.026 1
1 176 . 8 1 1 A 20 20 HIS HA H 20 4.371 4.327 0.044 1
1 181 . 8 1 1 A 20 20 HIS C C 20 178.335 176.670 1.665 1
1 182 . 8 1 1 A 20 20 HIS CA C 20 59.785 59.108 0.677 1
1 183 . 8 1 1 A 20 20 HIS CB C 20 29.879 30.313 -0.434 1
1 186 . 8 1 1 A 20 20 HIS N N 20 120.900 120.505 0.395 1
1 187 . 8 1 1 A 21 21 TYR H H 21 8.464 7.927 0.537 1
1 188 . 8 1 1 A 21 21 TYR HA H 21 4.540 4.119 0.421 1
1 195 . 8 1 1 A 21 21 TYR C C 21 178.222 178.481 -0.259 1
1 196 . 8 1 1 A 21 21 TYR CA C 21 61.863 61.706 0.157 1
1 197 . 8 1 1 A 21 21 TYR CB C 21 38.012 38.248 -0.236 1
1 202 . 8 1 1 A 21 21 TYR N N 21 118.132 117.662 0.470 1
1 203 . 8 1 1 A 22 22 PHE H H 22 9.095 8.333 0.762 1
1 204 . 8 1 1 A 22 22 PHE HA H 22 4.616 4.057 0.559 1
1 212 . 8 1 1 A 22 22 PHE C C 22 177.409 177.078 0.331 1
1 213 . 8 1 1 A 22 22 PHE CA C 22 59.761 61.745 -1.984 1
1 214 . 8 1 1 A 22 22 PHE CB C 22 38.982 39.253 -0.271 1
1 220 . 8 1 1 A 22 22 PHE N N 22 121.771 120.949 0.822 1
1 221 . 8 1 1 A 23 23 SER H H 23 8.400 8.094 0.306 1
1 222 . 8 1 1 A 23 23 SER HA H 23 3.785 3.813 -0.028 1
1 225 . 8 1 1 A 23 23 SER C C 23 177.318 177.191 0.127 1
1 226 . 8 1 1 A 23 23 SER CA C 23 62.453 61.694 0.759 1
1 227 . 8 1 1 A 23 23 SER CB C 23 62.279 63.000 -0.721 1
1 228 . 8 1 1 A 23 23 SER N N 23 115.511 113.911 1.600 1
1 229 . 8 1 1 A 24 24 LEU H H 24 7.737 8.047 -0.310 1
1 230 . 8 1 1 A 24 24 LEU HA H 24 4.118 3.904 0.214 1
1 240 . 8 1 1 A 24 24 LEU C C 24 178.956 178.709 0.247 1
1 241 . 8 1 1 A 24 24 LEU CA C 24 57.992 58.220 -0.228 1
1 242 . 8 1 1 A 24 24 LEU CB C 24 42.066 41.908 0.158 1
1 246 . 8 1 1 A 24 24 LEU N N 24 123.378 121.792 1.586 1
1 247 . 8 1 1 A 25 25 PHE H H 25 8.643 7.894 0.749 1
1 248 . 8 1 1 A 25 25 PHE HA H 25 3.475 3.555 -0.080 1
1 256 . 8 1 1 A 25 25 PHE C C 25 176.905 176.932 -0.027 1
1 257 . 8 1 1 A 25 25 PHE CA C 25 61.196 61.565 -0.369 1
1 258 . 8 1 1 A 25 25 PHE CB C 25 38.741 38.636 0.105 1
1 264 . 8 1 1 A 25 25 PHE N N 25 122.640 118.355 4.285 1
1 265 . 8 1 1 A 26 26 LYS H H 26 8.022 7.895 0.127 1
1 266 . 8 1 1 A 26 26 LYS HA H 26 3.197 3.714 -0.517 1
1 275 . 8 1 1 A 26 26 LYS C C 26 177.424 178.742 -1.318 1
1 276 . 8 1 1 A 26 26 LYS CA C 26 61.439 59.569 1.870 1
1 277 . 8 1 1 A 26 26 LYS CB C 26 32.363 31.829 0.534 1
1 281 . 8 1 1 A 26 26 LYS N N 26 116.023 117.535 -1.512 1
1 282 . 8 1 1 A 27 27 SER H H 27 7.473 7.665 -0.192 1
1 283 . 8 1 1 A 27 27 SER HA H 27 4.134 4.228 -0.094 1
1 286 . 8 1 1 A 27 27 SER C C 27 177.449 177.286 0.163 1
1 287 . 8 1 1 A 27 27 SER CA C 27 61.544 61.014 0.530 1
1 288 . 8 1 1 A 27 27 SER CB C 27 62.828 62.710 0.118 1
1 289 . 8 1 1 A 27 27 SER N N 27 111.668 114.881 -3.213 1
1 290 . 8 1 1 A 28 28 LEU H H 28 7.625 7.740 -0.115 1
1 291 . 8 1 1 A 28 28 LEU HA H 28 4.117 4.031 0.086 1
1 301 . 8 1 1 A 28 28 LEU C C 28 179.076 178.232 0.844 1
1 302 . 8 1 1 A 28 28 LEU CA C 28 57.336 57.412 -0.076 1
1 303 . 8 1 1 A 28 28 LEU CB C 28 41.585 41.782 -0.197 1
1 307 . 8 1 1 A 28 28 LEU N N 28 123.121 121.197 1.924 1
1 308 . 8 1 1 A 29 29 LEU H H 29 7.391 7.393 -0.002 1
1 309 . 8 1 1 A 29 29 LEU HA H 29 4.276 4.212 0.064 1
1 319 . 8 1 1 A 29 29 LEU C C 29 177.606 177.848 -0.242 1
1 320 . 8 1 1 A 29 29 LEU CA C 29 54.243 55.469 -1.226 1
1 321 . 8 1 1 A 29 29 LEU CB C 29 41.665 42.133 -0.468 1
1 325 . 8 1 1 A 29 29 LEU N N 29 119.910 118.391 1.519 1
1 326 . 8 1 1 A 30 30 ALA H H 30 7.242 7.872 -0.630 1
1 327 . 8 1 1 A 30 30 ALA HA H 30 3.505 3.871 -0.366 1
1 331 . 8 1 1 A 30 30 ALA C C 30 179.568 179.600 -0.032 1
1 332 . 8 1 1 A 30 30 ALA CA C 30 56.470 55.379 1.091 1
1 333 . 8 1 1 A 30 30 ALA CB C 30 18.818 18.470 0.348 1
1 334 . 8 1 1 A 30 30 ALA N N 30 122.470 122.272 0.198 1
1 335 . 8 1 1 A 31 31 ARG H H 31 8.256 7.811 0.445 1
1 336 . 8 1 1 A 31 31 ARG HA H 31 4.142 4.061 0.081 1
1 343 . 8 1 1 A 31 31 ARG C C 31 179.303 178.401 0.902 1
1 344 . 8 1 1 A 31 31 ARG CA C 31 58.917 59.018 -0.101 1
1 345 . 8 1 1 A 31 31 ARG CB C 31 29.407 30.019 -0.612 1
1 348 . 8 1 1 A 31 31 ARG N N 31 116.240 116.949 -0.709 1
1 349 . 8 1 1 A 32 32 ASP H H 32 8.205 8.167 0.038 1
1 350 . 8 1 1 A 32 32 ASP HA H 32 4.334 4.392 -0.058 1
1 353 . 8 1 1 A 32 32 ASP C C 32 177.470 178.428 -0.958 1
1 354 . 8 1 1 A 32 32 ASP CA C 32 57.336 57.031 0.305 1
1 355 . 8 1 1 A 32 32 ASP CB C 32 41.582 40.761 0.821 1
1 356 . 8 1 1 A 32 32 ASP N N 32 120.398 119.886 0.512 1
1 357 . 8 1 1 A 33 33 LEU H H 33 7.933 8.113 -0.180 1
1 358 . 8 1 1 A 33 33 LEU HA H 33 4.206 4.140 0.066 1
1 368 . 8 1 1 A 33 33 LEU C C 33 175.261 176.210 -0.949 1
1 369 . 8 1 1 A 33 33 LEU CA C 33 53.700 55.476 -1.776 1
1 370 . 8 1 1 A 33 33 LEU CB C 33 41.306 42.061 -0.755 1
1 374 . 8 1 1 A 33 33 LEU N N 33 113.338 118.146 -4.808 1
1 375 . 8 1 1 A 34 34 ASN H H 34 7.688 7.973 -0.285 1
1 376 . 8 1 1 A 34 34 ASN HA H 34 4.307 4.522 -0.215 1
1 381 . 8 1 1 A 34 34 ASN C C 34 175.092 174.580 0.512 1
1 382 . 8 1 1 A 34 34 ASN CA C 34 53.960 54.352 -0.392 1
1 383 . 8 1 1 A 34 34 ASN CB C 34 37.073 36.870 0.203 1
1 384 . 8 1 1 A 34 34 ASN N N 34 116.912 115.241 1.671 1
1 386 . 8 1 1 A 35 35 LEU H H 35 8.177 7.718 0.459 1
1 387 . 8 1 1 A 35 35 LEU HA H 35 4.008 4.350 -0.342 1
1 397 . 8 1 1 A 35 35 LEU C C 35 177.637 176.579 1.058 1
1 398 . 8 1 1 A 35 35 LEU CA C 35 54.233 54.980 -0.747 1
1 399 . 8 1 1 A 35 35 LEU CB C 35 41.024 42.402 -1.378 1
1 403 . 8 1 1 A 35 35 LEU N N 35 115.363 119.090 -3.727 1
1 404 . 8 1 1 A 36 36 GLU H H 36 8.419 9.138 -0.719 1
1 405 . 8 1 1 A 36 36 GLU HA H 36 4.175 4.566 -0.391 1
1 410 . 8 1 1 A 36 36 GLU C C 36 177.626 176.487 1.139 1
1 411 . 8 1 1 A 36 36 GLU CA C 36 56.872 55.674 1.198 1
1 412 . 8 1 1 A 36 36 GLU CB C 36 29.675 29.424 0.251 1
1 414 . 8 1 1 A 36 36 GLU N N 36 122.591 121.305 1.286 1
1 415 . 8 1 1 A 37 37 ARG H H 37 8.577 8.573 0.004 1
1 416 . 8 1 1 A 37 37 ARG HA H 37 3.889 4.056 -0.167 1
1 423 . 8 1 1 A 37 37 ARG C C 37 178.119 177.605 0.514 1
1 424 . 8 1 1 A 37 37 ARG CA C 37 58.924 59.286 -0.362 1
1 425 . 8 1 1 A 37 37 ARG CB C 37 30.074 29.871 0.203 1
1 428 . 8 1 1 A 37 37 ARG N N 37 124.790 126.264 -1.474 1
1 429 . 8 1 1 A 38 38 ASP H H 38 8.623 8.145 0.478 1
1 430 . 8 1 1 A 38 38 ASP HA H 38 4.591 4.634 -0.043 1
1 433 . 8 1 1 A 38 38 ASP C C 38 176.021 176.984 -0.963 1
1 434 . 8 1 1 A 38 38 ASP CA C 38 55.073 55.829 -0.756 1
1 435 . 8 1 1 A 38 38 ASP CB C 38 40.722 41.789 -1.067 1
1 436 . 8 1 1 A 38 38 ASP N N 38 116.313 117.341 -1.028 1
1 437 . 8 1 1 A 39 39 ASN H H 39 7.668 7.950 -0.282 1
1 438 . 8 1 1 A 39 39 ASN HA H 39 4.936 4.855 0.081 1
1 443 . 8 1 1 A 39 39 ASN C C 39 175.702 175.998 -0.296 1
1 444 . 8 1 1 A 39 39 ASN CA C 39 52.626 51.843 0.783 1
1 445 . 8 1 1 A 39 39 ASN CB C 39 38.966 38.026 0.940 1
1 446 . 8 1 1 A 39 39 ASN N N 39 116.330 117.284 -0.954 1
1 448 . 8 1 1 A 40 40 GLN H H 40 8.324 7.917 0.407 1
1 449 . 8 1 1 A 40 40 GLN HA H 40 4.285 4.441 -0.156 1
1 456 . 8 1 1 A 40 40 GLN C C 40 178.897 178.524 0.373 1
1 457 . 8 1 1 A 40 40 GLN CA C 40 58.513 57.751 0.762 1
1 458 . 8 1 1 A 40 40 GLN CB C 40 29.225 28.794 0.431 1
1 460 . 8 1 1 A 40 40 GLN N N 40 119.556 122.898 -3.342 1
1 462 . 8 1 1 A 41 41 GLU H H 41 8.956 8.186 0.770 1
1 463 . 8 1 1 A 41 41 GLU HA H 41 3.950 4.084 -0.134 1
1 468 . 8 1 1 A 41 41 GLU C C 41 176.712 178.434 -1.722 1
1 469 . 8 1 1 A 41 41 GLU CA C 41 58.716 59.445 -0.729 1
1 470 . 8 1 1 A 41 41 GLU CB C 41 29.124 29.177 -0.053 1
1 472 . 8 1 1 A 41 41 GLU N N 41 121.919 118.690 3.229 1
1 473 . 8 1 1 A 42 42 GLN H H 42 7.634 8.172 -0.538 1
1 474 . 8 1 1 A 42 42 GLN HA H 42 4.052 4.102 -0.050 1
1 481 . 8 1 1 A 42 42 GLN C C 42 176.286 176.268 0.018 1
1 482 . 8 1 1 A 42 42 GLN CA C 42 56.859 58.038 -1.179 1
1 483 . 8 1 1 A 42 42 GLN CB C 42 28.418 28.015 0.403 1
1 485 . 8 1 1 A 42 42 GLN N N 42 114.515 117.813 -3.298 1
1 487 . 8 1 1 A 43 43 TYR H H 43 6.692 7.711 -1.019 1
1 488 . 8 1 1 A 43 43 TYR HA H 43 4.866 4.611 0.255 1
1 495 . 8 1 1 A 43 43 TYR C C 43 177.063 175.466 1.597 1
1 496 . 8 1 1 A 43 43 TYR CA C 43 58.627 58.650 -0.023 1
1 497 . 8 1 1 A 43 43 TYR CB C 43 39.628 39.221 0.407 1
1 502 . 8 1 1 A 43 43 TYR N N 43 116.167 119.859 -3.692 1
1 503 . 8 1 1 A 44 44 THR H H 44 8.785 8.806 -0.021 1
1 504 . 8 1 1 A 44 44 THR HA H 44 4.800 5.318 -0.518 1
1 509 . 8 1 1 A 44 44 THR C C 44 176.061 175.797 0.264 1
1 510 . 8 1 1 A 44 44 THR CA C 44 60.519 59.632 0.887 1
1 511 . 8 1 1 A 44 44 THR CB C 44 71.926 72.337 -0.411 1
1 513 . 8 1 1 A 44 44 THR N N 44 116.779 111.259 5.520 1
1 514 . 8 1 1 A 45 45 THR H H 45 8.849 8.865 -0.016 1
1 515 . 8 1 1 A 45 45 THR HA H 45 3.626 3.787 -0.161 1
1 520 . 8 1 1 A 45 45 THR C C 45 176.458 176.120 0.338 1
1 521 . 8 1 1 A 45 45 THR CA C 45 65.716 65.722 -0.006 1
1 522 . 8 1 1 A 45 45 THR CB C 45 67.141 67.987 -0.846 1
1 524 . 8 1 1 A 45 45 THR N N 45 112.579 115.524 -2.945 1
1 525 . 8 1 1 A 46 46 ILE H H 46 7.144 7.737 -0.593 1
1 526 . 8 1 1 A 46 46 ILE HA H 46 3.803 3.714 0.089 1
1 536 . 8 1 1 A 46 46 ILE C C 46 177.573 177.893 -0.320 1
1 537 . 8 1 1 A 46 46 ILE CA C 46 64.078 65.010 -0.932 1
1 538 . 8 1 1 A 46 46 ILE CB C 46 38.733 37.523 1.210 1
1 542 . 8 1 1 A 46 46 ILE N N 46 119.409 123.140 -3.731 1
1 543 . 8 1 1 A 47 47 GLN H H 47 7.552 8.021 -0.469 1
1 544 . 8 1 1 A 47 47 GLN HA H 47 4.124 4.081 0.043 1
1 551 . 8 1 1 A 47 47 GLN C C 47 179.640 179.046 0.594 1
1 552 . 8 1 1 A 47 47 GLN CA C 47 59.282 59.186 0.096 1
1 553 . 8 1 1 A 47 47 GLN CB C 47 29.242 28.497 0.745 1
1 555 . 8 1 1 A 47 47 GLN N N 47 119.564 118.673 0.891 1
1 557 . 8 1 1 A 48 48 ILE H H 48 8.520 8.195 0.325 1
1 558 . 8 1 1 A 48 48 ILE HA H 48 3.861 3.790 0.071 1
1 568 . 8 1 1 A 48 48 ILE C C 48 177.779 178.001 -0.222 1
1 569 . 8 1 1 A 48 48 ILE CA C 48 61.208 64.502 -3.294 1
1 570 . 8 1 1 A 48 48 ILE CB C 48 34.654 37.145 -2.491 1
1 574 . 8 1 1 A 48 48 ILE N N 48 118.052 121.414 -3.362 1
1 575 . 8 1 1 A 49 49 ALA H H 49 8.826 8.264 0.562 1
1 576 . 8 1 1 A 49 49 ALA HA H 49 4.071 4.150 -0.079 1
1 580 . 8 1 1 A 49 49 ALA C C 49 179.849 180.076 -0.227 1
1 581 . 8 1 1 A 49 49 ALA CA C 49 55.909 55.556 0.353 1
1 582 . 8 1 1 A 49 49 ALA CB C 49 18.289 18.582 -0.293 1
1 583 . 8 1 1 A 49 49 ALA N N 49 123.182 122.868 0.314 1
1 584 . 8 1 1 A 50 50 ASN H H 50 8.319 8.174 0.145 1
1 585 . 8 1 1 A 50 50 ASN HA H 50 4.517 4.422 0.095 1
1 590 . 8 1 1 A 50 50 ASN CA C 50 56.309 56.784 -0.475 1
1 591 . 8 1 1 A 50 50 ASN CB C 50 38.198 38.178 0.020 1
1 592 . 8 1 1 A 50 50 ASN N N 50 116.379 117.581 -1.202 1
1 594 . 8 1 1 A 51 51 MET H H 51 8.233 8.040 0.193 1
1 595 . 8 1 1 A 51 51 MET HA H 51 4.132 4.121 0.011 1
1 603 . 8 1 1 A 51 51 MET CA C 51 59.312 58.475 0.837 1
1 604 . 8 1 1 A 51 51 MET CB C 51 34.763 32.236 2.527 1
1 607 . 8 1 1 A 51 51 MET N N 51 119.934 118.165 1.769 1
1 608 . 8 1 1 A 52 52 MET H H 52 8.926 8.198 0.728 1
1 609 . 8 1 1 A 52 52 MET HA H 52 3.874 4.433 -0.559 1
1 617 . 8 1 1 A 52 52 MET C C 52 177.228 178.904 -1.676 1
1 618 . 8 1 1 A 52 52 MET CA C 52 60.218 58.476 1.742 1
1 619 . 8 1 1 A 52 52 MET CB C 52 33.427 33.334 0.093 1
1 622 . 8 1 1 A 52 52 MET N N 52 120.686 119.173 1.513 1
1 623 . 8 1 1 A 53 53 GLU H H 53 8.111 8.569 -0.458 1
1 624 . 8 1 1 A 53 53 GLU HA H 53 3.863 4.054 -0.191 1
1 629 . 8 1 1 A 53 53 GLU C C 53 177.640 179.498 -1.858 1
1 630 . 8 1 1 A 53 53 GLU CA C 53 59.847 59.816 0.031 1
1 631 . 8 1 1 A 53 53 GLU CB C 53 29.778 29.436 0.342 1
1 633 . 8 1 1 A 53 53 GLU N N 53 119.207 118.877 0.330 1
1 634 . 8 1 1 A 54 54 GLU H H 54 7.030 7.635 -0.605 1
1 635 . 8 1 1 A 54 54 GLU HA H 54 4.014 4.172 -0.158 1
1 640 . 8 1 1 A 54 54 GLU C C 54 178.008 178.533 -0.525 1
1 641 . 8 1 1 A 54 54 GLU CA C 54 58.211 58.728 -0.517 1
1 642 . 8 1 1 A 54 54 GLU CB C 54 30.149 29.898 0.251 1
1 644 . 8 1 1 A 54 54 GLU N N 54 115.049 119.847 -4.798 1
1 645 . 8 1 1 A 55 55 LYS H H 55 7.670 7.939 -0.269 1
1 646 . 8 1 1 A 55 55 LYS HA H 55 3.930 3.772 0.158 1
1 655 . 8 1 1 A 55 55 LYS C C 55 175.986 176.254 -0.268 1
1 656 . 8 1 1 A 55 55 LYS CA C 55 56.405 59.122 -2.717 1
1 657 . 8 1 1 A 55 55 LYS CB C 55 32.705 31.717 0.988 1
1 661 . 8 1 1 A 55 55 LYS N N 55 117.040 120.412 -3.372 1
1 662 . 8 1 1 A 56 56 PHE H H 56 8.079 8.301 -0.222 1
1 663 . 8 1 1 A 56 56 PHE HA H 56 5.215 5.050 0.165 1
1 671 . 8 1 1 A 56 56 PHE CA C 56 53.965 54.881 -0.916 1
1 672 . 8 1 1 A 56 56 PHE CB C 56 38.759 39.210 -0.451 1
1 678 . 8 1 1 A 56 56 PHE N N 56 117.341 116.170 1.171 1
1 679 . 8 1 1 A 57 57 PRO HA H 57 4.514 4.550 -0.036 1
1 686 . 8 1 1 A 57 57 PRO CA C 57 64.818 64.174 0.644 1
1 687 . 8 1 1 A 57 57 PRO CB C 57 32.192 31.825 0.367 1
1 690 . 8 1 1 A 58 58 ALA H H 58 8.619 8.318 0.301 1
1 691 . 8 1 1 A 58 58 ALA HA H 58 4.206 4.196 0.010 1
1 695 . 8 1 1 A 58 58 ALA CA C 58 55.406 55.127 0.279 1
1 696 . 8 1 1 A 58 58 ALA CB C 58 18.353 19.716 -1.363 1
1 697 . 8 1 1 A 58 58 ALA N N 58 120.173 121.127 -0.954 1
1 698 . 8 1 1 A 59 59 ASP H H 59 7.515 7.856 -0.341 1
1 699 . 8 1 1 A 59 59 ASP HA H 59 4.810 4.867 -0.057 1
1 702 . 8 1 1 A 59 59 ASP CA C 59 52.659 53.602 -0.943 1
1 703 . 8 1 1 A 59 59 ASP CB C 59 41.778 40.858 0.920 1
1 704 . 8 1 1 A 59 59 ASP N N 59 113.536 115.152 -1.616 1
1 705 . 8 1 1 A 60 60 SER H H 60 8.392 8.308 0.084 1
1 706 . 8 1 1 A 60 60 SER HA H 60 4.176 4.599 -0.423 1
1 709 . 8 1 1 A 60 60 SER CA C 60 60.221 59.147 1.074 1
1 710 . 8 1 1 A 60 60 SER CB C 60 62.050 61.012 1.038 1
1 711 . 8 1 1 A 60 60 SER N N 60 113.717 113.768 -0.051 1
1 712 . 8 1 1 A 61 61 GLY H H 61 8.299 8.350 -0.051 1
1 713 . 8 1 1 A 61 61 GLY HA2 H 61 4.005 3.596 0.409 1
1 714 . 8 1 1 A 61 61 GLY HA3 H 61 3.502 3.928 -0.426 1
1 715 . 8 1 1 A 61 61 GLY CA C 61 45.554 45.075 0.479 1
1 716 . 8 1 1 A 61 61 GLY N N 61 104.225 109.928 -5.703 1
1 717 . 8 1 1 A 62 62 LEU H H 62 7.927 8.218 -0.291 1
1 718 . 8 1 1 A 62 62 LEU HA H 62 3.915 3.952 -0.037 1
1 728 . 8 1 1 A 62 62 LEU CA C 62 58.075 57.854 0.221 1
1 729 . 8 1 1 A 62 62 LEU CB C 62 41.731 41.999 -0.268 1
1 733 . 8 1 1 A 62 62 LEU N N 62 122.094 122.698 -0.604 1
1 734 . 8 1 1 A 63 63 GLY H H 63 8.566 8.257 0.309 1
1 735 . 8 1 1 A 63 63 GLY HA2 H 63 3.847 3.732 0.115 1
1 736 . 8 1 1 A 63 63 GLY HA3 H 63 3.592 3.740 -0.148 1
1 737 . 8 1 1 A 63 63 GLY CA C 63 47.146 47.172 -0.026 1
1 738 . 8 1 1 A 63 63 GLY N N 63 105.732 106.185 -0.453 1
1 739 . 8 1 1 A 64 64 LYS H H 64 7.509 7.838 -0.329 1
1 740 . 8 1 1 A 64 64 LYS HA H 64 4.115 3.981 0.134 1
1 749 . 8 1 1 A 64 64 LYS C C 64 179.856 178.909 0.947 1
1 750 . 8 1 1 A 64 64 LYS CA C 64 57.768 59.110 -1.342 1
1 751 . 8 1 1 A 64 64 LYS CB C 64 31.542 31.847 -0.305 1
1 755 . 8 1 1 A 64 64 LYS N N 64 120.697 121.837 -1.140 1
1 756 . 8 1 1 A 65 65 LEU H H 65 7.544 7.795 -0.251 1
1 757 . 8 1 1 A 65 65 LEU HA H 65 4.219 3.488 0.731 1
1 767 . 8 1 1 A 65 65 LEU C C 65 178.606 178.369 0.237 1
1 768 . 8 1 1 A 65 65 LEU CA C 65 57.675 57.824 -0.149 1
1 769 . 8 1 1 A 65 65 LEU CB C 65 41.040 41.373 -0.333 1
1 773 . 8 1 1 A 65 65 LEU N N 65 120.399 120.528 -0.129 1
1 774 . 8 1 1 A 66 66 ILE H H 66 8.605 8.421 0.184 1
1 775 . 8 1 1 A 66 66 ILE HA H 66 3.271 3.556 -0.285 1
1 785 . 8 1 1 A 66 66 ILE C C 66 176.721 177.700 -0.979 1
1 786 . 8 1 1 A 66 66 ILE CA C 66 67.612 65.685 1.927 1
1 787 . 8 1 1 A 66 66 ILE CB C 66 38.006 37.670 0.336 1
1 791 . 8 1 1 A 66 66 ILE N N 66 121.170 120.233 0.937 1
1 792 . 8 1 1 A 67 67 GLU H H 67 8.157 7.954 0.203 1
1 793 . 8 1 1 A 67 67 GLU HA H 67 4.007 4.266 -0.259 1
1 798 . 8 1 1 A 67 67 GLU C C 67 178.848 179.292 -0.444 1
1 799 . 8 1 1 A 67 67 GLU CA C 67 59.476 59.746 -0.270 1
1 800 . 8 1 1 A 67 67 GLU CB C 67 30.055 29.553 0.502 1
1 802 . 8 1 1 A 67 67 GLU N N 67 118.066 119.463 -1.397 1
1 803 . 8 1 1 A 68 68 PHE H H 68 7.673 7.954 -0.281 1
1 804 . 8 1 1 A 68 68 PHE HA H 68 4.393 4.277 0.116 1
1 812 . 8 1 1 A 68 68 PHE C C 68 176.609 177.342 -0.733 1
1 813 . 8 1 1 A 68 68 PHE CA C 68 60.660 61.519 -0.859 1
1 814 . 8 1 1 A 68 68 PHE CB C 68 39.666 39.414 0.252 1
1 820 . 8 1 1 A 68 68 PHE N N 68 119.383 121.271 -1.888 1
1 821 . 8 1 1 A 69 69 CYS H H 69 8.137 8.372 -0.235 1
1 822 . 8 1 1 A 69 69 CYS HA H 69 3.714 4.251 -0.537 1
1 825 . 8 1 1 A 69 69 CYS C C 69 175.221 176.706 -1.485 1
1 826 . 8 1 1 A 69 69 CYS CA C 69 62.782 61.087 1.695 1
1 827 . 8 1 1 A 69 69 CYS CB C 69 26.732 26.837 -0.105 1
1 828 . 8 1 1 A 69 69 CYS N N 69 115.218 116.849 -1.631 1
1 829 . 8 1 1 A 70 70 GLU H H 70 8.108 8.000 0.108 1
1 830 . 8 1 1 A 70 70 GLU HA H 70 3.739 4.092 -0.353 1
1 835 . 8 1 1 A 70 70 GLU C C 70 178.404 179.326 -0.922 1
1 836 . 8 1 1 A 70 70 GLU CA C 70 58.839 59.013 -0.174 1
1 837 . 8 1 1 A 70 70 GLU CB C 70 30.149 29.764 0.385 1
1 839 . 8 1 1 A 70 70 GLU N N 70 113.937 120.793 -6.856 1
1 840 . 8 1 1 A 71 71 GLU H H 71 7.306 8.330 -1.024 1
1 841 . 8 1 1 A 71 71 GLU HA H 71 4.148 4.109 0.039 1
1 846 . 8 1 1 A 71 71 GLU C C 71 176.363 176.114 0.249 1
1 847 . 8 1 1 A 71 71 GLU CA C 71 56.943 58.352 -1.409 1
1 848 . 8 1 1 A 71 71 GLU CB C 71 30.374 28.768 1.606 1
1 850 . 8 1 1 A 71 71 GLU N N 71 117.591 117.490 0.101 1
1 851 . 8 1 1 A 72 72 VAL H H 72 7.055 7.471 -0.416 1
1 852 . 8 1 1 A 72 72 VAL HA H 72 4.220 4.184 0.036 1
1 860 . 8 1 1 A 72 72 VAL C C 72 174.906 175.465 -0.559 1
1 861 . 8 1 1 A 72 72 VAL CA C 72 59.360 58.627 0.733 1
1 862 . 8 1 1 A 72 72 VAL CB C 72 33.462 32.733 0.729 1
1 865 . 8 1 1 A 72 72 VAL N N 72 122.531 121.730 0.801 1
1 866 . 8 1 1 A 73 73 PRO HA H 73 3.887 4.458 -0.571 1
1 873 . 8 1 1 A 73 73 PRO C C 73 179.162 177.116 2.046 1
1 874 . 8 1 1 A 73 73 PRO CA C 73 66.658 64.136 2.522 1
1 875 . 8 1 1 A 73 73 PRO CB C 73 31.819 31.676 0.143 1
1 878 . 8 1 1 A 74 74 ALA H H 74 8.188 8.181 0.007 1
1 879 . 8 1 1 A 74 74 ALA HA H 74 4.217 4.346 -0.129 1
1 883 . 8 1 1 A 74 74 ALA C C 74 178.535 178.213 0.322 1
1 884 . 8 1 1 A 74 74 ALA CA C 74 54.149 52.981 1.168 1
1 885 . 8 1 1 A 74 74 ALA CB C 74 19.305 19.443 -0.138 1
1 886 . 8 1 1 A 74 74 ALA N N 74 116.317 120.917 -4.600 1
1 887 . 8 1 1 A 75 75 LEU H H 75 8.188 7.433 0.755 1
1 888 . 8 1 1 A 75 75 LEU HA H 75 4.607 4.337 0.270 1
1 898 . 8 1 1 A 75 75 LEU C C 75 177.094 177.902 -0.808 1
1 899 . 8 1 1 A 75 75 LEU CA C 75 53.645 54.529 -0.884 1
1 900 . 8 1 1 A 75 75 LEU CB C 75 42.633 42.624 0.009 1
1 904 . 8 1 1 A 75 75 LEU N N 75 116.296 115.486 0.810 1
1 905 . 8 1 1 A 76 76 ARG H H 76 7.332 7.774 -0.442 1
1 906 . 8 1 1 A 76 76 ARG HA H 76 3.789 3.917 -0.128 1
1 913 . 8 1 1 A 76 76 ARG C C 76 179.457 178.678 0.779 1
1 914 . 8 1 1 A 76 76 ARG CA C 76 60.815 59.305 1.510 1
1 915 . 8 1 1 A 76 76 ARG CB C 76 29.535 29.894 -0.359 1
1 918 . 8 1 1 A 76 76 ARG N N 76 122.654 120.287 2.367 1
1 919 . 8 1 1 A 77 77 LYS H H 77 8.489 8.094 0.395 1
1 920 . 8 1 1 A 77 77 LYS HA H 77 4.118 3.974 0.144 1
1 929 . 8 1 1 A 77 77 LYS C C 77 179.135 179.184 -0.049 1
1 930 . 8 1 1 A 77 77 LYS CA C 77 58.963 59.448 -0.485 1
1 931 . 8 1 1 A 77 77 LYS CB C 77 31.113 32.189 -1.076 1
1 935 . 8 1 1 A 77 77 LYS N N 77 119.343 119.865 -0.522 1
1 936 . 8 1 1 A 78 78 ARG H H 78 7.626 7.916 -0.290 1
1 937 . 8 1 1 A 78 78 ARG HA H 78 3.931 4.007 -0.076 1
1 944 . 8 1 1 A 78 78 ARG C C 78 178.200 179.041 -0.841 1
1 945 . 8 1 1 A 78 78 ARG CA C 78 56.415 58.919 -2.504 1
1 946 . 8 1 1 A 78 78 ARG CB C 78 27.010 30.135 -3.125 1
1 949 . 8 1 1 A 78 78 ARG N N 78 120.202 119.472 0.730 1
1 950 . 8 1 1 A 79 79 ALA H H 79 8.138 8.172 -0.034 1
1 951 . 8 1 1 A 79 79 ALA HA H 79 3.837 4.055 -0.218 1
1 955 . 8 1 1 A 79 79 ALA C C 79 178.684 179.787 -1.103 1
1 956 . 8 1 1 A 79 79 ALA CA C 79 55.692 55.048 0.644 1
1 957 . 8 1 1 A 79 79 ALA CB C 79 18.376 18.727 -0.351 1
1 958 . 8 1 1 A 79 79 ALA N N 79 120.388 122.253 -1.865 1
1 959 . 8 1 1 A 80 80 GLU H H 80 7.437 7.835 -0.398 1
1 960 . 8 1 1 A 80 80 GLU HA H 80 3.877 4.077 -0.200 1
1 965 . 8 1 1 A 80 80 GLU C C 80 179.640 178.829 0.811 1
1 966 . 8 1 1 A 80 80 GLU CA C 80 59.370 59.165 0.205 1
1 967 . 8 1 1 A 80 80 GLU CB C 80 29.445 29.499 -0.054 1
1 969 . 8 1 1 A 80 80 GLU N N 80 115.384 116.611 -1.227 1
1 970 . 8 1 1 A 81 81 ILE H H 81 7.721 7.913 -0.192 1
1 971 . 8 1 1 A 81 81 ILE HA H 81 3.675 3.678 -0.003 1
1 981 . 8 1 1 A 81 81 ILE C C 81 178.179 178.582 -0.403 1
1 982 . 8 1 1 A 81 81 ILE CA C 81 65.187 65.195 -0.008 1
1 983 . 8 1 1 A 81 81 ILE CB C 81 38.471 37.434 1.037 1
1 987 . 8 1 1 A 81 81 ILE N N 81 121.563 121.241 0.322 1
1 988 . 8 1 1 A 82 82 LEU H H 82 8.374 8.429 -0.055 1
1 989 . 8 1 1 A 82 82 LEU HA H 82 3.930 4.309 -0.379 1
1 999 . 8 1 1 A 82 82 LEU C C 82 179.279 179.159 0.120 1
1 1000 . 8 1 1 A 82 82 LEU CA C 82 58.038 57.545 0.493 1
1 1001 . 8 1 1 A 82 82 LEU CB C 82 42.869 40.957 1.912 1
1 1005 . 8 1 1 A 82 82 LEU N N 82 119.839 119.989 -0.150 1
1 1006 . 8 1 1 A 83 83 LYS H H 83 8.153 8.091 0.062 1
1 1007 . 8 1 1 A 83 83 LYS HA H 83 3.740 4.003 -0.263 1
1 1016 . 8 1 1 A 83 83 LYS C C 83 179.548 179.208 0.340 1
1 1017 . 8 1 1 A 83 83 LYS CA C 83 60.433 59.903 0.530 1
1 1018 . 8 1 1 A 83 83 LYS CB C 83 32.703 32.099 0.604 1
1 1022 . 8 1 1 A 83 83 LYS N N 83 117.092 119.317 -2.225 1
1 1023 . 8 1 1 A 84 84 LYS H H 84 7.705 7.696 0.009 1
1 1024 . 8 1 1 A 84 84 LYS HA H 84 4.101 4.000 0.101 1
1 1033 . 8 1 1 A 84 84 LYS C C 84 179.082 178.732 0.350 1
1 1034 . 8 1 1 A 84 84 LYS CA C 84 59.120 59.857 -0.737 1
1 1035 . 8 1 1 A 84 84 LYS CB C 84 32.291 31.992 0.299 1
1 1039 . 8 1 1 A 84 84 LYS N N 84 121.473 120.778 0.695 1
1 1040 . 8 1 1 A 85 85 GLU H H 85 8.567 7.811 0.756 1
1 1041 . 8 1 1 A 85 85 GLU HA H 85 4.013 4.065 -0.052 1
1 1046 . 8 1 1 A 85 85 GLU CA C 85 59.360 59.405 -0.045 1
1 1047 . 8 1 1 A 85 85 GLU CB C 85 30.033 29.203 0.830 1
1 1049 . 8 1 1 A 85 85 GLU N N 85 119.645 117.477 2.168 1
1 1050 . 8 1 1 A 86 86 ARG H H 86 8.467 8.103 0.364 1
1 1051 . 8 1 1 A 86 86 ARG HA H 86 4.030 4.049 -0.019 1
1 1058 . 8 1 1 A 86 86 ARG C C 86 177.790 175.973 1.817 1
1 1059 . 8 1 1 A 86 86 ARG CA C 86 58.556 59.181 -0.625 1
1 1060 . 8 1 1 A 86 86 ARG CB C 86 30.377 30.006 0.371 1
1 1063 . 8 1 1 A 86 86 ARG N N 86 119.408 120.629 -1.221 1
1 1064 . 8 1 1 A 87 87 SER H H 87 7.851 7.725 0.126 1
1 1065 . 8 1 1 A 87 87 SER HA H 87 4.369 4.327 0.042 1
1 1068 . 8 1 1 A 87 87 SER C C 87 175.282 173.780 1.502 1
1 1069 . 8 1 1 A 87 87 SER CA C 87 60.271 58.393 1.878 1
1 1070 . 8 1 1 A 87 87 SER CB C 87 63.601 63.815 -0.214 1
1 1071 . 8 1 1 A 87 87 SER N N 87 115.071 110.748 4.323 1
1 1072 . 8 1 1 A 88 88 GLU H H 88 7.891 9.014 -1.123 1
1 1073 . 8 1 1 A 88 88 GLU HA H 88 4.316 4.619 -0.303 1
1 1078 . 8 1 1 A 88 88 GLU C C 88 176.801 177.488 -0.687 1
1 1079 . 8 1 1 A 88 88 GLU CA C 88 57.036 57.342 -0.306 1
1 1080 . 8 1 1 A 88 88 GLU CB C 88 30.024 31.524 -1.500 1
1 1082 . 8 1 1 A 88 88 GLU N N 88 121.067 122.174 -1.107 1
1 1083 . 8 1 1 A 89 89 SER H H 89 7.934 7.762 0.172 1
1 1084 . 8 1 1 A 89 89 SER HA H 89 4.503 4.409 0.094 1
1 1087 . 8 1 1 A 89 89 SER C C 89 174.624 175.455 -0.831 1
1 1088 . 8 1 1 A 89 89 SER CA C 89 58.875 60.907 -2.032 1
1 1089 . 8 1 1 A 89 89 SER CB C 89 64.040 63.362 0.678 1
1 1090 . 8 1 1 A 89 89 SER N N 89 115.241 114.511 0.730 1
1 1091 . 8 1 1 A 90 90 GLY H H 90 8.062 7.772 0.290 1
1 1092 . 8 1 1 A 90 90 GLY HA2 H 90 4.210 4.004 0.206 1
1 1093 . 8 1 1 A 90 90 GLY HA3 H 90 4.083 4.004 0.079 1
1 1094 . 8 1 1 A 90 90 GLY C C 90 171.774 173.134 -1.360 1
1 1095 . 8 1 1 A 90 90 GLY CA C 90 44.872 45.204 -0.332 1
1 1096 . 8 1 1 A 90 90 GLY N N 90 110.384 108.366 2.018 1
1 1097 . 8 1 1 A 91 91 PRO HA H 91 4.495 4.753 -0.258 1
1 1104 . 8 1 1 A 91 91 PRO C C 91 177.475 176.371 1.104 1
1 1105 . 8 1 1 A 91 91 PRO CA C 91 63.295 62.814 0.481 1
1 1106 . 8 1 1 A 91 91 PRO CB C 91 32.234 32.237 -0.003 1
1 1109 . 8 1 1 A 92 92 SER H H 92 8.557 8.537 0.020 1
1 1110 . 8 1 1 A 92 92 SER HA H 92 4.575 5.181 -0.606 1
1 1113 . 8 1 1 A 92 92 SER C C 92 174.736 173.417 1.319 1
1 1114 . 8 1 1 A 92 92 SER CA C 92 58.380 57.095 1.285 1
1 1115 . 8 1 1 A 92 92 SER CB C 92 64.221 66.997 -2.776 1
1 1 . 9 1 1 A 6 6 SER H H 6 8.063 8.930 -0.867 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.493 4.890 -0.397 1
1 5 . 9 1 1 A 6 6 SER CA C 6 59.071 57.540 1.531 1
1 6 . 9 1 1 A 6 6 SER CB C 6 63.626 63.633 -0.007 1
1 7 . 9 1 1 A 7 7 GLY H H 7 8.424 8.057 0.367 1
1 8 . 9 1 1 A 7 7 GLY HA2 H 7 3.985 3.930 0.055 1
1 9 . 9 1 1 A 7 7 GLY HA3 H 7 3.834 3.930 -0.096 1
1 10 . 9 1 1 A 7 7 GLY CA C 7 47.092 46.851 0.241 1
1 11 . 9 1 1 A 7 7 GLY N N 7 109.548 109.545 0.003 1
1 12 . 9 1 1 A 8 8 ILE H H 8 7.565 8.453 -0.888 1
1 13 . 9 1 1 A 8 8 ILE HA H 8 3.883 4.558 -0.675 1
1 23 . 9 1 1 A 8 8 ILE CA C 8 63.805 61.198 2.607 1
1 24 . 9 1 1 A 8 8 ILE CB C 8 37.866 38.935 -1.069 1
1 28 . 9 1 1 A 8 8 ILE N N 8 123.348 125.069 -1.721 1
1 29 . 9 1 1 A 9 9 VAL H H 9 7.538 8.822 -1.284 1
1 30 . 9 1 1 A 9 9 VAL HA H 9 3.471 4.614 -1.143 1
1 38 . 9 1 1 A 9 9 VAL CA C 9 66.382 60.344 6.038 1
1 39 . 9 1 1 A 9 9 VAL CB C 9 31.755 35.639 -3.884 1
1 42 . 9 1 1 A 9 9 VAL N N 9 121.471 126.541 -5.070 1
1 43 . 9 1 1 A 10 10 LEU H H 10 7.941 9.079 -1.138 1
1 44 . 9 1 1 A 10 10 LEU HA H 10 3.848 3.998 -0.150 1
1 54 . 9 1 1 A 10 10 LEU CA C 10 58.619 57.526 1.093 1
1 55 . 9 1 1 A 10 10 LEU CB C 10 41.377 41.891 -0.514 1
1 59 . 9 1 1 A 10 10 LEU N N 10 119.521 126.362 -6.841 1
1 60 . 9 1 1 A 11 11 LEU H H 11 8.207 7.662 0.545 1
1 61 . 9 1 1 A 11 11 LEU HA H 11 3.792 4.191 -0.399 1
1 71 . 9 1 1 A 11 11 LEU CA C 11 58.241 56.718 1.523 1
1 72 . 9 1 1 A 11 11 LEU CB C 11 41.790 42.754 -0.964 1
1 76 . 9 1 1 A 11 11 LEU N N 11 119.938 119.504 0.434 1
1 77 . 9 1 1 A 12 12 ARG H H 12 7.904 8.363 -0.459 1
1 78 . 9 1 1 A 12 12 ARG HA H 12 3.966 3.883 0.083 1
1 85 . 9 1 1 A 12 12 ARG CA C 12 59.301 59.862 -0.561 1
1 86 . 9 1 1 A 12 12 ARG CB C 12 30.132 30.149 -0.017 1
1 89 . 9 1 1 A 12 12 ARG N N 12 116.799 119.546 -2.747 1
1 90 . 9 1 1 A 13 13 GLY H H 13 8.190 7.820 0.370 1
1 91 . 9 1 1 A 13 13 GLY HA2 H 13 3.740 3.896 -0.156 1
1 92 . 9 1 1 A 13 13 GLY HA3 H 13 3.437 3.905 -0.468 1
1 93 . 9 1 1 A 13 13 GLY CA C 13 47.988 46.954 1.034 1
1 94 . 9 1 1 A 13 13 GLY N N 13 107.618 106.725 0.893 1
1 95 . 9 1 1 A 14 14 LEU H H 14 8.515 7.991 0.524 1
1 96 . 9 1 1 A 14 14 LEU HA H 14 3.785 4.080 -0.295 1
1 106 . 9 1 1 A 14 14 LEU C C 14 178.232 178.505 -0.273 1
1 107 . 9 1 1 A 14 14 LEU CA C 14 57.401 57.912 -0.511 1
1 108 . 9 1 1 A 14 14 LEU CB C 14 41.981 41.808 0.173 1
1 112 . 9 1 1 A 14 14 LEU N N 14 120.161 122.557 -2.396 1
1 113 . 9 1 1 A 15 15 GLU H H 15 7.931 8.344 -0.413 1
1 114 . 9 1 1 A 15 15 GLU HA H 15 4.030 3.829 0.201 1
1 119 . 9 1 1 A 15 15 GLU CA C 15 57.961 59.802 -1.841 1
1 120 . 9 1 1 A 15 15 GLU CB C 15 30.140 29.035 1.105 1
1 122 . 9 1 1 A 15 15 GLU N N 15 114.703 117.035 -2.332 1
1 123 . 9 1 1 A 16 16 CYS H H 16 7.612 8.197 -0.585 1
1 124 . 9 1 1 A 16 16 CYS HA H 16 4.457 4.048 0.409 1
1 127 . 9 1 1 A 16 16 CYS CA C 16 60.982 62.483 -1.501 1
1 128 . 9 1 1 A 16 16 CYS CB C 16 27.917 26.931 0.986 1
1 129 . 9 1 1 A 16 16 CYS N N 16 114.695 119.239 -4.544 1
1 130 . 9 1 1 A 17 17 ILE H H 17 7.142 7.304 -0.162 1
1 131 . 9 1 1 A 17 17 ILE HA H 17 4.533 4.360 0.173 1
1 141 . 9 1 1 A 17 17 ILE CA C 17 61.521 60.922 0.599 1
1 142 . 9 1 1 A 17 17 ILE CB C 17 39.206 39.092 0.114 1
1 146 . 9 1 1 A 17 17 ILE N N 17 115.031 116.640 -1.609 1
1 147 . 9 1 1 A 18 18 ASN H H 18 8.325 8.930 -0.605 1
1 148 . 9 1 1 A 18 18 ASN HA H 18 4.575 4.796 -0.221 1
1 153 . 9 1 1 A 18 18 ASN C C 18 175.171 177.190 -2.019 1
1 154 . 9 1 1 A 18 18 ASN CA C 18 53.278 53.292 -0.014 1
1 155 . 9 1 1 A 18 18 ASN CB C 18 38.419 39.541 -1.122 1
1 156 . 9 1 1 A 18 18 ASN N N 18 119.943 122.744 -2.801 1
1 158 . 9 1 1 A 19 19 LYS H H 19 8.514 8.916 -0.402 1
1 159 . 9 1 1 A 19 19 LYS HA H 19 4.242 4.183 0.059 1
1 168 . 9 1 1 A 19 19 LYS C C 19 178.868 178.993 -0.125 1
1 169 . 9 1 1 A 19 19 LYS CA C 19 60.006 59.872 0.134 1
1 170 . 9 1 1 A 19 19 LYS CB C 19 32.291 32.327 -0.036 1
1 174 . 9 1 1 A 19 19 LYS N N 19 118.191 122.941 -4.750 1
1 175 . 9 1 1 A 20 20 HIS H H 20 8.328 8.099 0.229 1
1 176 . 9 1 1 A 20 20 HIS HA H 20 4.371 4.260 0.111 1
1 181 . 9 1 1 A 20 20 HIS C C 20 178.335 176.746 1.589 1
1 182 . 9 1 1 A 20 20 HIS CA C 20 59.785 59.280 0.505 1
1 183 . 9 1 1 A 20 20 HIS CB C 20 29.879 30.113 -0.234 1
1 186 . 9 1 1 A 20 20 HIS N N 20 120.900 119.509 1.391 1
1 187 . 9 1 1 A 21 21 TYR H H 21 8.464 8.031 0.433 1
1 188 . 9 1 1 A 21 21 TYR HA H 21 4.540 4.291 0.249 1
1 195 . 9 1 1 A 21 21 TYR C C 21 178.222 178.657 -0.435 1
1 196 . 9 1 1 A 21 21 TYR CA C 21 61.863 61.852 0.011 1
1 197 . 9 1 1 A 21 21 TYR CB C 21 38.012 38.334 -0.322 1
1 202 . 9 1 1 A 21 21 TYR N N 21 118.132 117.397 0.735 1
1 203 . 9 1 1 A 22 22 PHE H H 22 9.095 8.364 0.731 1
1 204 . 9 1 1 A 22 22 PHE HA H 22 4.616 4.152 0.464 1
1 212 . 9 1 1 A 22 22 PHE C C 22 177.409 177.492 -0.083 1
1 213 . 9 1 1 A 22 22 PHE CA C 22 59.761 61.802 -2.041 1
1 214 . 9 1 1 A 22 22 PHE CB C 22 38.982 39.347 -0.365 1
1 220 . 9 1 1 A 22 22 PHE N N 22 121.771 120.993 0.778 1
1 221 . 9 1 1 A 23 23 SER H H 23 8.400 8.571 -0.171 1
1 222 . 9 1 1 A 23 23 SER HA H 23 3.785 3.970 -0.185 1
1 225 . 9 1 1 A 23 23 SER C C 23 177.318 177.198 0.120 1
1 226 . 9 1 1 A 23 23 SER CA C 23 62.453 61.163 1.290 1
1 227 . 9 1 1 A 23 23 SER CB C 23 62.279 62.937 -0.658 1
1 228 . 9 1 1 A 23 23 SER N N 23 115.511 113.871 1.640 1
1 229 . 9 1 1 A 24 24 LEU H H 24 7.737 8.505 -0.768 1
1 230 . 9 1 1 A 24 24 LEU HA H 24 4.118 4.055 0.063 1
1 240 . 9 1 1 A 24 24 LEU C C 24 178.956 179.375 -0.419 1
1 241 . 9 1 1 A 24 24 LEU CA C 24 57.992 57.753 0.239 1
1 242 . 9 1 1 A 24 24 LEU CB C 24 42.066 42.447 -0.381 1
1 246 . 9 1 1 A 24 24 LEU N N 24 123.378 122.483 0.895 1
1 247 . 9 1 1 A 25 25 PHE H H 25 8.643 7.795 0.848 1
1 248 . 9 1 1 A 25 25 PHE HA H 25 3.475 3.411 0.064 1
1 256 . 9 1 1 A 25 25 PHE C C 25 176.905 176.923 -0.018 1
1 257 . 9 1 1 A 25 25 PHE CA C 25 61.196 61.442 -0.246 1
1 258 . 9 1 1 A 25 25 PHE CB C 25 38.741 38.532 0.209 1
1 264 . 9 1 1 A 25 25 PHE N N 25 122.640 118.421 4.219 1
1 265 . 9 1 1 A 26 26 LYS H H 26 8.022 7.703 0.319 1
1 266 . 9 1 1 A 26 26 LYS HA H 26 3.197 3.653 -0.456 1
1 275 . 9 1 1 A 26 26 LYS C C 26 177.424 179.042 -1.618 1
1 276 . 9 1 1 A 26 26 LYS CA C 26 61.439 59.586 1.853 1
1 277 . 9 1 1 A 26 26 LYS CB C 26 32.363 31.836 0.527 1
1 281 . 9 1 1 A 26 26 LYS N N 26 116.023 117.743 -1.720 1
1 282 . 9 1 1 A 27 27 SER H H 27 7.473 7.534 -0.061 1
1 283 . 9 1 1 A 27 27 SER HA H 27 4.134 4.216 -0.082 1
1 286 . 9 1 1 A 27 27 SER C C 27 177.449 177.023 0.426 1
1 287 . 9 1 1 A 27 27 SER CA C 27 61.544 60.986 0.558 1
1 288 . 9 1 1 A 27 27 SER CB C 27 62.828 62.821 0.007 1
1 289 . 9 1 1 A 27 27 SER N N 27 111.668 115.005 -3.337 1
1 290 . 9 1 1 A 28 28 LEU H H 28 7.625 7.541 0.084 1
1 291 . 9 1 1 A 28 28 LEU HA H 28 4.117 4.030 0.087 1
1 301 . 9 1 1 A 28 28 LEU C C 28 179.076 178.162 0.914 1
1 302 . 9 1 1 A 28 28 LEU CA C 28 57.336 57.199 0.137 1
1 303 . 9 1 1 A 28 28 LEU CB C 28 41.585 41.722 -0.137 1
1 307 . 9 1 1 A 28 28 LEU N N 28 123.121 122.111 1.010 1
1 308 . 9 1 1 A 29 29 LEU H H 29 7.391 7.299 0.092 1
1 309 . 9 1 1 A 29 29 LEU HA H 29 4.276 4.197 0.079 1
1 319 . 9 1 1 A 29 29 LEU C C 29 177.606 177.891 -0.285 1
1 320 . 9 1 1 A 29 29 LEU CA C 29 54.243 55.319 -1.076 1
1 321 . 9 1 1 A 29 29 LEU CB C 29 41.665 42.131 -0.466 1
1 325 . 9 1 1 A 29 29 LEU N N 29 119.910 117.968 1.942 1
1 326 . 9 1 1 A 30 30 ALA H H 30 7.242 8.375 -1.133 1
1 327 . 9 1 1 A 30 30 ALA HA H 30 3.505 3.949 -0.444 1
1 331 . 9 1 1 A 30 30 ALA C C 30 179.568 179.631 -0.063 1
1 332 . 9 1 1 A 30 30 ALA CA C 30 56.470 55.489 0.981 1
1 333 . 9 1 1 A 30 30 ALA CB C 30 18.818 18.703 0.115 1
1 334 . 9 1 1 A 30 30 ALA N N 30 122.470 122.133 0.337 1
1 335 . 9 1 1 A 31 31 ARG H H 31 8.256 7.892 0.364 1
1 336 . 9 1 1 A 31 31 ARG HA H 31 4.142 4.079 0.063 1
1 343 . 9 1 1 A 31 31 ARG C C 31 179.303 178.481 0.822 1
1 344 . 9 1 1 A 31 31 ARG CA C 31 58.917 58.950 -0.033 1
1 345 . 9 1 1 A 31 31 ARG CB C 31 29.407 30.116 -0.709 1
1 348 . 9 1 1 A 31 31 ARG N N 31 116.240 117.164 -0.924 1
1 349 . 9 1 1 A 32 32 ASP H H 32 8.205 8.160 0.045 1
1 350 . 9 1 1 A 32 32 ASP HA H 32 4.334 4.336 -0.002 1
1 353 . 9 1 1 A 32 32 ASP C C 32 177.470 178.305 -0.835 1
1 354 . 9 1 1 A 32 32 ASP CA C 32 57.336 57.104 0.232 1
1 355 . 9 1 1 A 32 32 ASP CB C 32 41.582 40.817 0.765 1
1 356 . 9 1 1 A 32 32 ASP N N 32 120.398 120.131 0.267 1
1 357 . 9 1 1 A 33 33 LEU H H 33 7.933 8.228 -0.295 1
1 358 . 9 1 1 A 33 33 LEU HA H 33 4.206 4.196 0.010 1
1 368 . 9 1 1 A 33 33 LEU C C 33 175.261 175.944 -0.683 1
1 369 . 9 1 1 A 33 33 LEU CA C 33 53.700 54.968 -1.268 1
1 370 . 9 1 1 A 33 33 LEU CB C 33 41.306 41.838 -0.532 1
1 374 . 9 1 1 A 33 33 LEU N N 33 113.338 117.443 -4.105 1
1 375 . 9 1 1 A 34 34 ASN H H 34 7.688 8.065 -0.377 1
1 376 . 9 1 1 A 34 34 ASN HA H 34 4.307 4.725 -0.418 1
1 381 . 9 1 1 A 34 34 ASN C C 34 175.092 174.368 0.724 1
1 382 . 9 1 1 A 34 34 ASN CA C 34 53.960 53.967 -0.007 1
1 383 . 9 1 1 A 34 34 ASN CB C 34 37.073 37.032 0.041 1
1 384 . 9 1 1 A 34 34 ASN N N 34 116.912 117.959 -1.047 1
1 386 . 9 1 1 A 35 35 LEU H H 35 8.177 8.046 0.131 1
1 387 . 9 1 1 A 35 35 LEU HA H 35 4.008 4.444 -0.436 1
1 397 . 9 1 1 A 35 35 LEU C C 35 177.637 175.480 2.157 1
1 398 . 9 1 1 A 35 35 LEU CA C 35 54.233 54.972 -0.739 1
1 399 . 9 1 1 A 35 35 LEU CB C 35 41.024 42.446 -1.422 1
1 403 . 9 1 1 A 35 35 LEU N N 35 115.363 119.965 -4.602 1
1 404 . 9 1 1 A 36 36 GLU H H 36 8.419 8.918 -0.499 1
1 405 . 9 1 1 A 36 36 GLU HA H 36 4.175 4.721 -0.546 1
1 410 . 9 1 1 A 36 36 GLU C C 36 177.626 176.730 0.896 1
1 411 . 9 1 1 A 36 36 GLU CA C 36 56.872 54.828 2.044 1
1 412 . 9 1 1 A 36 36 GLU CB C 36 29.675 30.831 -1.156 1
1 414 . 9 1 1 A 36 36 GLU N N 36 122.591 119.933 2.658 1
1 415 . 9 1 1 A 37 37 ARG H H 37 8.577 8.691 -0.114 1
1 416 . 9 1 1 A 37 37 ARG HA H 37 3.889 4.004 -0.115 1
1 423 . 9 1 1 A 37 37 ARG C C 37 178.119 177.468 0.651 1
1 424 . 9 1 1 A 37 37 ARG CA C 37 58.924 59.659 -0.735 1
1 425 . 9 1 1 A 37 37 ARG CB C 37 30.074 29.985 0.089 1
1 428 . 9 1 1 A 37 37 ARG N N 37 124.790 126.404 -1.614 1
1 429 . 9 1 1 A 38 38 ASP H H 38 8.623 8.055 0.568 1
1 430 . 9 1 1 A 38 38 ASP HA H 38 4.591 4.383 0.208 1
1 433 . 9 1 1 A 38 38 ASP C C 38 176.021 177.632 -1.611 1
1 434 . 9 1 1 A 38 38 ASP CA C 38 55.073 56.970 -1.897 1
1 435 . 9 1 1 A 38 38 ASP CB C 38 40.722 40.710 0.012 1
1 436 . 9 1 1 A 38 38 ASP N N 38 116.313 118.601 -2.288 1
1 437 . 9 1 1 A 39 39 ASN H H 39 7.668 8.047 -0.379 1
1 438 . 9 1 1 A 39 39 ASN HA H 39 4.936 4.544 0.392 1
1 443 . 9 1 1 A 39 39 ASN C C 39 175.702 176.056 -0.354 1
1 444 . 9 1 1 A 39 39 ASN CA C 39 52.626 52.861 -0.235 1
1 445 . 9 1 1 A 39 39 ASN CB C 39 38.966 38.163 0.803 1
1 446 . 9 1 1 A 39 39 ASN N N 39 116.330 116.396 -0.066 1
1 448 . 9 1 1 A 40 40 GLN H H 40 8.324 8.040 0.284 1
1 449 . 9 1 1 A 40 40 GLN HA H 40 4.285 4.457 -0.172 1
1 456 . 9 1 1 A 40 40 GLN C C 40 178.897 177.363 1.534 1
1 457 . 9 1 1 A 40 40 GLN CA C 40 58.513 58.051 0.462 1
1 458 . 9 1 1 A 40 40 GLN CB C 40 29.225 28.661 0.564 1
1 460 . 9 1 1 A 40 40 GLN N N 40 119.556 119.509 0.047 1
1 462 . 9 1 1 A 41 41 GLU H H 41 8.956 8.247 0.709 1
1 463 . 9 1 1 A 41 41 GLU HA H 41 3.950 4.264 -0.314 1
1 468 . 9 1 1 A 41 41 GLU C C 41 176.712 178.544 -1.832 1
1 469 . 9 1 1 A 41 41 GLU CA C 41 58.716 59.292 -0.576 1
1 470 . 9 1 1 A 41 41 GLU CB C 41 29.124 29.901 -0.777 1
1 472 . 9 1 1 A 41 41 GLU N N 41 121.919 117.918 4.001 1
1 473 . 9 1 1 A 42 42 GLN H H 42 7.634 8.010 -0.376 1
1 474 . 9 1 1 A 42 42 GLN HA H 42 4.052 4.124 -0.072 1
1 481 . 9 1 1 A 42 42 GLN C C 42 176.286 176.220 0.066 1
1 482 . 9 1 1 A 42 42 GLN CA C 42 56.859 58.221 -1.362 1
1 483 . 9 1 1 A 42 42 GLN CB C 42 28.418 28.455 -0.037 1
1 485 . 9 1 1 A 42 42 GLN N N 42 114.515 117.473 -2.958 1
1 487 . 9 1 1 A 43 43 TYR H H 43 6.692 7.392 -0.700 1
1 488 . 9 1 1 A 43 43 TYR HA H 43 4.866 4.541 0.325 1
1 495 . 9 1 1 A 43 43 TYR C C 43 177.063 175.486 1.577 1
1 496 . 9 1 1 A 43 43 TYR CA C 43 58.627 59.087 -0.460 1
1 497 . 9 1 1 A 43 43 TYR CB C 43 39.628 39.109 0.519 1
1 502 . 9 1 1 A 43 43 TYR N N 43 116.167 120.755 -4.588 1
1 503 . 9 1 1 A 44 44 THR H H 44 8.785 8.677 0.108 1
1 504 . 9 1 1 A 44 44 THR HA H 44 4.800 5.227 -0.427 1
1 509 . 9 1 1 A 44 44 THR C C 44 176.061 176.060 0.001 1
1 510 . 9 1 1 A 44 44 THR CA C 44 60.519 59.767 0.752 1
1 511 . 9 1 1 A 44 44 THR CB C 44 71.926 71.798 0.128 1
1 513 . 9 1 1 A 44 44 THR N N 44 116.779 112.286 4.493 1
1 514 . 9 1 1 A 45 45 THR H H 45 8.849 8.917 -0.068 1
1 515 . 9 1 1 A 45 45 THR HA H 45 3.626 3.840 -0.214 1
1 520 . 9 1 1 A 45 45 THR C C 45 176.458 176.236 0.222 1
1 521 . 9 1 1 A 45 45 THR CA C 45 65.716 65.938 -0.222 1
1 522 . 9 1 1 A 45 45 THR CB C 45 67.141 68.020 -0.879 1
1 524 . 9 1 1 A 45 45 THR N N 45 112.579 115.694 -3.115 1
1 525 . 9 1 1 A 46 46 ILE H H 46 7.144 7.908 -0.764 1
1 526 . 9 1 1 A 46 46 ILE HA H 46 3.803 3.620 0.183 1
1 536 . 9 1 1 A 46 46 ILE C C 46 177.573 177.841 -0.268 1
1 537 . 9 1 1 A 46 46 ILE CA C 46 64.078 65.347 -1.269 1
1 538 . 9 1 1 A 46 46 ILE CB C 46 38.733 37.564 1.169 1
1 542 . 9 1 1 A 46 46 ILE N N 46 119.409 123.165 -3.756 1
1 543 . 9 1 1 A 47 47 GLN H H 47 7.552 8.002 -0.450 1
1 544 . 9 1 1 A 47 47 GLN HA H 47 4.124 3.942 0.182 1
1 551 . 9 1 1 A 47 47 GLN C C 47 179.640 178.595 1.045 1
1 552 . 9 1 1 A 47 47 GLN CA C 47 59.282 59.215 0.067 1
1 553 . 9 1 1 A 47 47 GLN CB C 47 29.242 28.415 0.827 1
1 555 . 9 1 1 A 47 47 GLN N N 47 119.564 118.354 1.210 1
1 557 . 9 1 1 A 48 48 ILE H H 48 8.520 7.953 0.567 1
1 558 . 9 1 1 A 48 48 ILE HA H 48 3.861 3.665 0.196 1
1 568 . 9 1 1 A 48 48 ILE C C 48 177.779 178.101 -0.322 1
1 569 . 9 1 1 A 48 48 ILE CA C 48 61.208 65.431 -4.223 1
1 570 . 9 1 1 A 48 48 ILE CB C 48 34.654 37.777 -3.123 1
1 574 . 9 1 1 A 48 48 ILE N N 48 118.052 120.508 -2.456 1
1 575 . 9 1 1 A 49 49 ALA H H 49 8.826 8.380 0.446 1
1 576 . 9 1 1 A 49 49 ALA HA H 49 4.071 4.188 -0.117 1
1 580 . 9 1 1 A 49 49 ALA C C 49 179.849 180.047 -0.198 1
1 581 . 9 1 1 A 49 49 ALA CA C 49 55.909 55.629 0.280 1
1 582 . 9 1 1 A 49 49 ALA CB C 49 18.289 18.557 -0.268 1
1 583 . 9 1 1 A 49 49 ALA N N 49 123.182 122.449 0.733 1
1 584 . 9 1 1 A 50 50 ASN H H 50 8.319 8.299 0.020 1
1 585 . 9 1 1 A 50 50 ASN HA H 50 4.517 4.420 0.097 1
1 590 . 9 1 1 A 50 50 ASN CA C 50 56.309 56.602 -0.293 1
1 591 . 9 1 1 A 50 50 ASN CB C 50 38.198 38.122 0.076 1
1 592 . 9 1 1 A 50 50 ASN N N 50 116.379 117.563 -1.184 1
1 594 . 9 1 1 A 51 51 MET H H 51 8.233 8.104 0.129 1
1 595 . 9 1 1 A 51 51 MET HA H 51 4.132 4.073 0.059 1
1 603 . 9 1 1 A 51 51 MET CA C 51 59.312 58.454 0.858 1
1 604 . 9 1 1 A 51 51 MET CB C 51 34.763 32.024 2.739 1
1 607 . 9 1 1 A 51 51 MET N N 51 119.934 117.952 1.982 1
1 608 . 9 1 1 A 52 52 MET H H 52 8.926 8.091 0.835 1
1 609 . 9 1 1 A 52 52 MET HA H 52 3.874 4.208 -0.334 1
1 617 . 9 1 1 A 52 52 MET C C 52 177.228 178.763 -1.535 1
1 618 . 9 1 1 A 52 52 MET CA C 52 60.218 58.246 1.972 1
1 619 . 9 1 1 A 52 52 MET CB C 52 33.427 33.061 0.366 1
1 622 . 9 1 1 A 52 52 MET N N 52 120.686 118.936 1.750 1
1 623 . 9 1 1 A 53 53 GLU H H 53 8.111 8.571 -0.460 1
1 624 . 9 1 1 A 53 53 GLU HA H 53 3.863 4.048 -0.185 1
1 629 . 9 1 1 A 53 53 GLU C C 53 177.640 179.212 -1.572 1
1 630 . 9 1 1 A 53 53 GLU CA C 53 59.847 59.658 0.189 1
1 631 . 9 1 1 A 53 53 GLU CB C 53 29.778 29.378 0.400 1
1 633 . 9 1 1 A 53 53 GLU N N 53 119.207 119.401 -0.194 1
1 634 . 9 1 1 A 54 54 GLU H H 54 7.030 7.912 -0.882 1
1 635 . 9 1 1 A 54 54 GLU HA H 54 4.014 4.150 -0.136 1
1 640 . 9 1 1 A 54 54 GLU C C 54 178.008 178.670 -0.662 1
1 641 . 9 1 1 A 54 54 GLU CA C 54 58.211 58.565 -0.354 1
1 642 . 9 1 1 A 54 54 GLU CB C 54 30.149 29.951 0.198 1
1 644 . 9 1 1 A 54 54 GLU N N 54 115.049 119.867 -4.818 1
1 645 . 9 1 1 A 55 55 LYS H H 55 7.670 7.841 -0.171 1
1 646 . 9 1 1 A 55 55 LYS HA H 55 3.930 3.760 0.170 1
1 655 . 9 1 1 A 55 55 LYS C C 55 175.986 176.101 -0.115 1
1 656 . 9 1 1 A 55 55 LYS CA C 55 56.405 58.501 -2.096 1
1 657 . 9 1 1 A 55 55 LYS CB C 55 32.705 31.402 1.303 1
1 661 . 9 1 1 A 55 55 LYS N N 55 117.040 120.434 -3.394 1
1 662 . 9 1 1 A 56 56 PHE H H 56 8.079 8.244 -0.165 1
1 663 . 9 1 1 A 56 56 PHE HA H 56 5.215 5.099 0.116 1
1 671 . 9 1 1 A 56 56 PHE CA C 56 53.965 54.991 -1.026 1
1 672 . 9 1 1 A 56 56 PHE CB C 56 38.759 39.448 -0.689 1
1 678 . 9 1 1 A 56 56 PHE N N 56 117.341 115.967 1.374 1
1 679 . 9 1 1 A 57 57 PRO HA H 57 4.514 4.538 -0.024 1
1 686 . 9 1 1 A 57 57 PRO CA C 57 64.818 64.221 0.597 1
1 687 . 9 1 1 A 57 57 PRO CB C 57 32.192 31.811 0.381 1
1 690 . 9 1 1 A 58 58 ALA H H 58 8.619 8.274 0.345 1
1 691 . 9 1 1 A 58 58 ALA HA H 58 4.206 4.291 -0.085 1
1 695 . 9 1 1 A 58 58 ALA CA C 58 55.406 55.087 0.319 1
1 696 . 9 1 1 A 58 58 ALA CB C 58 18.353 19.718 -1.365 1
1 697 . 9 1 1 A 58 58 ALA N N 58 120.173 120.956 -0.783 1
1 698 . 9 1 1 A 59 59 ASP H H 59 7.515 8.044 -0.529 1
1 699 . 9 1 1 A 59 59 ASP HA H 59 4.810 4.614 0.196 1
1 702 . 9 1 1 A 59 59 ASP CA C 59 52.659 53.214 -0.555 1
1 703 . 9 1 1 A 59 59 ASP CB C 59 41.778 40.619 1.159 1
1 704 . 9 1 1 A 59 59 ASP N N 59 113.536 114.573 -1.037 1
1 705 . 9 1 1 A 60 60 SER H H 60 8.392 8.734 -0.342 1
1 706 . 9 1 1 A 60 60 SER HA H 60 4.176 4.569 -0.393 1
1 709 . 9 1 1 A 60 60 SER CA C 60 60.221 59.156 1.065 1
1 710 . 9 1 1 A 60 60 SER CB C 60 62.050 61.001 1.049 1
1 711 . 9 1 1 A 60 60 SER N N 60 113.717 115.242 -1.525 1
1 712 . 9 1 1 A 61 61 GLY H H 61 8.299 8.062 0.237 1
1 713 . 9 1 1 A 61 61 GLY HA2 H 61 4.005 3.922 0.083 1
1 714 . 9 1 1 A 61 61 GLY HA3 H 61 3.502 4.010 -0.508 1
1 715 . 9 1 1 A 61 61 GLY CA C 61 45.554 45.288 0.266 1
1 716 . 9 1 1 A 61 61 GLY N N 61 104.225 109.800 -5.575 1
1 717 . 9 1 1 A 62 62 LEU H H 62 7.927 8.292 -0.365 1
1 718 . 9 1 1 A 62 62 LEU HA H 62 3.915 3.981 -0.066 1
1 728 . 9 1 1 A 62 62 LEU CA C 62 58.075 57.946 0.129 1
1 729 . 9 1 1 A 62 62 LEU CB C 62 41.731 41.924 -0.193 1
1 733 . 9 1 1 A 62 62 LEU N N 62 122.094 122.825 -0.731 1
1 734 . 9 1 1 A 63 63 GLY H H 63 8.566 8.256 0.310 1
1 735 . 9 1 1 A 63 63 GLY HA2 H 63 3.847 3.768 0.079 1
1 736 . 9 1 1 A 63 63 GLY HA3 H 63 3.592 3.780 -0.188 1
1 737 . 9 1 1 A 63 63 GLY CA C 63 47.146 47.184 -0.038 1
1 738 . 9 1 1 A 63 63 GLY N N 63 105.732 106.304 -0.572 1
1 739 . 9 1 1 A 64 64 LYS H H 64 7.509 8.180 -0.671 1
1 740 . 9 1 1 A 64 64 LYS HA H 64 4.115 3.958 0.157 1
1 749 . 9 1 1 A 64 64 LYS C C 64 179.856 178.977 0.879 1
1 750 . 9 1 1 A 64 64 LYS CA C 64 57.768 59.258 -1.490 1
1 751 . 9 1 1 A 64 64 LYS CB C 64 31.542 32.129 -0.587 1
1 755 . 9 1 1 A 64 64 LYS N N 64 120.697 121.817 -1.120 1
1 756 . 9 1 1 A 65 65 LEU H H 65 7.544 8.281 -0.737 1
1 757 . 9 1 1 A 65 65 LEU HA H 65 4.219 3.746 0.473 1
1 767 . 9 1 1 A 65 65 LEU C C 65 178.606 178.484 0.122 1
1 768 . 9 1 1 A 65 65 LEU CA C 65 57.675 57.873 -0.198 1
1 769 . 9 1 1 A 65 65 LEU CB C 65 41.040 41.361 -0.321 1
1 773 . 9 1 1 A 65 65 LEU N N 65 120.399 120.531 -0.132 1
1 774 . 9 1 1 A 66 66 ILE H H 66 8.605 8.522 0.083 1
1 775 . 9 1 1 A 66 66 ILE HA H 66 3.271 3.473 -0.202 1
1 785 . 9 1 1 A 66 66 ILE C C 66 176.721 177.678 -0.957 1
1 786 . 9 1 1 A 66 66 ILE CA C 66 67.612 65.824 1.788 1
1 787 . 9 1 1 A 66 66 ILE CB C 66 38.006 37.837 0.169 1
1 791 . 9 1 1 A 66 66 ILE N N 66 121.170 119.792 1.378 1
1 792 . 9 1 1 A 67 67 GLU H H 67 8.157 7.913 0.244 1
1 793 . 9 1 1 A 67 67 GLU HA H 67 4.007 3.961 0.046 1
1 798 . 9 1 1 A 67 67 GLU C C 67 178.848 179.169 -0.321 1
1 799 . 9 1 1 A 67 67 GLU CA C 67 59.476 59.798 -0.322 1
1 800 . 9 1 1 A 67 67 GLU CB C 67 30.055 29.699 0.356 1
1 802 . 9 1 1 A 67 67 GLU N N 67 118.066 119.368 -1.302 1
1 803 . 9 1 1 A 68 68 PHE H H 68 7.673 7.925 -0.252 1
1 804 . 9 1 1 A 68 68 PHE HA H 68 4.393 4.167 0.226 1
1 812 . 9 1 1 A 68 68 PHE C C 68 176.609 177.530 -0.921 1
1 813 . 9 1 1 A 68 68 PHE CA C 68 60.660 61.526 -0.866 1
1 814 . 9 1 1 A 68 68 PHE CB C 68 39.666 39.381 0.285 1
1 820 . 9 1 1 A 68 68 PHE N N 68 119.383 121.109 -1.726 1
1 821 . 9 1 1 A 69 69 CYS H H 69 8.137 8.136 0.001 1
1 822 . 9 1 1 A 69 69 CYS HA H 69 3.714 3.792 -0.078 1
1 825 . 9 1 1 A 69 69 CYS C C 69 175.221 177.186 -1.965 1
1 826 . 9 1 1 A 69 69 CYS CA C 69 62.782 63.547 -0.765 1
1 827 . 9 1 1 A 69 69 CYS CB C 69 26.732 27.375 -0.643 1
1 828 . 9 1 1 A 69 69 CYS N N 69 115.218 116.650 -1.432 1
1 829 . 9 1 1 A 70 70 GLU H H 70 8.108 7.909 0.199 1
1 830 . 9 1 1 A 70 70 GLU HA H 70 3.739 3.932 -0.193 1
1 835 . 9 1 1 A 70 70 GLU C C 70 178.404 178.651 -0.247 1
1 836 . 9 1 1 A 70 70 GLU CA C 70 58.839 59.470 -0.631 1
1 837 . 9 1 1 A 70 70 GLU CB C 70 30.149 29.348 0.801 1
1 839 . 9 1 1 A 70 70 GLU N N 70 113.937 119.368 -5.431 1
1 840 . 9 1 1 A 71 71 GLU H H 71 7.306 8.317 -1.011 1
1 841 . 9 1 1 A 71 71 GLU HA H 71 4.148 4.112 0.036 1
1 846 . 9 1 1 A 71 71 GLU C C 71 176.363 176.793 -0.430 1
1 847 . 9 1 1 A 71 71 GLU CA C 71 56.943 59.174 -2.231 1
1 848 . 9 1 1 A 71 71 GLU CB C 71 30.374 29.006 1.368 1
1 850 . 9 1 1 A 71 71 GLU N N 71 117.591 118.135 -0.544 1
1 851 . 9 1 1 A 72 72 VAL H H 72 7.055 7.615 -0.560 1
1 852 . 9 1 1 A 72 72 VAL HA H 72 4.220 4.077 0.143 1
1 860 . 9 1 1 A 72 72 VAL C C 72 174.906 175.760 -0.854 1
1 861 . 9 1 1 A 72 72 VAL CA C 72 59.360 59.943 -0.583 1
1 862 . 9 1 1 A 72 72 VAL CB C 72 33.462 31.804 1.658 1
1 865 . 9 1 1 A 72 72 VAL N N 72 122.531 121.466 1.065 1
1 866 . 9 1 1 A 73 73 PRO HA H 73 3.887 4.446 -0.559 1
1 873 . 9 1 1 A 73 73 PRO C C 73 179.162 177.520 1.642 1
1 874 . 9 1 1 A 73 73 PRO CA C 73 66.658 64.410 2.248 1
1 875 . 9 1 1 A 73 73 PRO CB C 73 31.819 31.835 -0.016 1
1 878 . 9 1 1 A 74 74 ALA H H 74 8.188 8.145 0.043 1
1 879 . 9 1 1 A 74 74 ALA HA H 74 4.217 4.272 -0.055 1
1 883 . 9 1 1 A 74 74 ALA C C 74 178.535 177.908 0.627 1
1 884 . 9 1 1 A 74 74 ALA CA C 74 54.149 53.461 0.688 1
1 885 . 9 1 1 A 74 74 ALA CB C 74 19.305 18.994 0.311 1
1 886 . 9 1 1 A 74 74 ALA N N 74 116.317 119.798 -3.481 1
1 887 . 9 1 1 A 75 75 LEU H H 75 8.188 7.274 0.914 1
1 888 . 9 1 1 A 75 75 LEU HA H 75 4.607 4.270 0.337 1
1 898 . 9 1 1 A 75 75 LEU C C 75 177.094 177.956 -0.862 1
1 899 . 9 1 1 A 75 75 LEU CA C 75 53.645 54.572 -0.927 1
1 900 . 9 1 1 A 75 75 LEU CB C 75 42.633 42.523 0.110 1
1 904 . 9 1 1 A 75 75 LEU N N 75 116.296 115.632 0.664 1
1 905 . 9 1 1 A 76 76 ARG H H 76 7.332 7.925 -0.593 1
1 906 . 9 1 1 A 76 76 ARG HA H 76 3.789 3.899 -0.110 1
1 913 . 9 1 1 A 76 76 ARG C C 76 179.457 178.768 0.689 1
1 914 . 9 1 1 A 76 76 ARG CA C 76 60.815 59.565 1.250 1
1 915 . 9 1 1 A 76 76 ARG CB C 76 29.535 29.979 -0.444 1
1 918 . 9 1 1 A 76 76 ARG N N 76 122.654 119.688 2.966 1
1 919 . 9 1 1 A 77 77 LYS H H 77 8.489 8.064 0.425 1
1 920 . 9 1 1 A 77 77 LYS HA H 77 4.118 3.978 0.140 1
1 929 . 9 1 1 A 77 77 LYS C C 77 179.135 179.055 0.080 1
1 930 . 9 1 1 A 77 77 LYS CA C 77 58.963 59.305 -0.342 1
1 931 . 9 1 1 A 77 77 LYS CB C 77 31.113 31.989 -0.876 1
1 935 . 9 1 1 A 77 77 LYS N N 77 119.343 119.573 -0.230 1
1 936 . 9 1 1 A 78 78 ARG H H 78 7.626 8.098 -0.472 1
1 937 . 9 1 1 A 78 78 ARG HA H 78 3.931 4.038 -0.107 1
1 944 . 9 1 1 A 78 78 ARG C C 78 178.200 178.864 -0.664 1
1 945 . 9 1 1 A 78 78 ARG CA C 78 56.415 59.176 -2.761 1
1 946 . 9 1 1 A 78 78 ARG CB C 78 27.010 30.278 -3.268 1
1 949 . 9 1 1 A 78 78 ARG N N 78 120.202 119.430 0.772 1
1 950 . 9 1 1 A 79 79 ALA H H 79 8.138 7.957 0.181 1
1 951 . 9 1 1 A 79 79 ALA HA H 79 3.837 4.036 -0.199 1
1 955 . 9 1 1 A 79 79 ALA C C 79 178.684 180.032 -1.348 1
1 956 . 9 1 1 A 79 79 ALA CA C 79 55.692 55.857 -0.165 1
1 957 . 9 1 1 A 79 79 ALA CB C 79 18.376 18.718 -0.342 1
1 958 . 9 1 1 A 79 79 ALA N N 79 120.388 121.844 -1.456 1
1 959 . 9 1 1 A 80 80 GLU H H 80 7.437 7.856 -0.419 1
1 960 . 9 1 1 A 80 80 GLU HA H 80 3.877 4.088 -0.211 1
1 965 . 9 1 1 A 80 80 GLU C C 80 179.640 178.785 0.855 1
1 966 . 9 1 1 A 80 80 GLU CA C 80 59.370 59.146 0.224 1
1 967 . 9 1 1 A 80 80 GLU CB C 80 29.445 29.379 0.066 1
1 969 . 9 1 1 A 80 80 GLU N N 80 115.384 116.494 -1.110 1
1 970 . 9 1 1 A 81 81 ILE H H 81 7.721 8.045 -0.324 1
1 971 . 9 1 1 A 81 81 ILE HA H 81 3.675 3.599 0.076 1
1 981 . 9 1 1 A 81 81 ILE C C 81 178.179 178.459 -0.280 1
1 982 . 9 1 1 A 81 81 ILE CA C 81 65.187 65.973 -0.786 1
1 983 . 9 1 1 A 81 81 ILE CB C 81 38.471 38.000 0.471 1
1 987 . 9 1 1 A 81 81 ILE N N 81 121.563 121.135 0.428 1
1 988 . 9 1 1 A 82 82 LEU H H 82 8.374 8.505 -0.131 1
1 989 . 9 1 1 A 82 82 LEU HA H 82 3.930 3.837 0.093 1
1 999 . 9 1 1 A 82 82 LEU C C 82 179.279 178.507 0.772 1
1 1000 . 9 1 1 A 82 82 LEU CA C 82 58.038 58.195 -0.157 1
1 1001 . 9 1 1 A 82 82 LEU CB C 82 42.869 41.929 0.940 1
1 1005 . 9 1 1 A 82 82 LEU N N 82 119.839 120.109 -0.270 1
1 1006 . 9 1 1 A 83 83 LYS H H 83 8.153 8.438 -0.285 1
1 1007 . 9 1 1 A 83 83 LYS HA H 83 3.740 3.900 -0.160 1
1 1016 . 9 1 1 A 83 83 LYS C C 83 179.548 179.057 0.491 1
1 1017 . 9 1 1 A 83 83 LYS CA C 83 60.433 60.296 0.137 1
1 1018 . 9 1 1 A 83 83 LYS CB C 83 32.703 32.265 0.438 1
1 1022 . 9 1 1 A 83 83 LYS N N 83 117.092 116.958 0.134 1
1 1023 . 9 1 1 A 84 84 LYS H H 84 7.705 8.061 -0.356 1
1 1024 . 9 1 1 A 84 84 LYS HA H 84 4.101 3.954 0.147 1
1 1033 . 9 1 1 A 84 84 LYS C C 84 179.082 178.930 0.152 1
1 1034 . 9 1 1 A 84 84 LYS CA C 84 59.120 59.745 -0.625 1
1 1035 . 9 1 1 A 84 84 LYS CB C 84 32.291 32.110 0.181 1
1 1039 . 9 1 1 A 84 84 LYS N N 84 121.473 120.012 1.461 1
1 1040 . 9 1 1 A 85 85 GLU H H 85 8.567 8.114 0.453 1
1 1041 . 9 1 1 A 85 85 GLU HA H 85 4.013 4.119 -0.106 1
1 1046 . 9 1 1 A 85 85 GLU CA C 85 59.360 58.755 0.605 1
1 1047 . 9 1 1 A 85 85 GLU CB C 85 30.033 29.229 0.804 1
1 1049 . 9 1 1 A 85 85 GLU N N 85 119.645 117.504 2.141 1
1 1050 . 9 1 1 A 86 86 ARG H H 86 8.467 8.063 0.404 1
1 1051 . 9 1 1 A 86 86 ARG HA H 86 4.030 4.145 -0.115 1
1 1058 . 9 1 1 A 86 86 ARG C C 86 177.790 175.699 2.091 1
1 1059 . 9 1 1 A 86 86 ARG CA C 86 58.556 59.002 -0.446 1
1 1060 . 9 1 1 A 86 86 ARG CB C 86 30.377 30.254 0.123 1
1 1063 . 9 1 1 A 86 86 ARG N N 86 119.408 121.014 -1.606 1
1 1064 . 9 1 1 A 87 87 SER H H 87 7.851 7.772 0.079 1
1 1065 . 9 1 1 A 87 87 SER HA H 87 4.369 4.911 -0.542 1
1 1068 . 9 1 1 A 87 87 SER C C 87 175.282 173.124 2.158 1
1 1069 . 9 1 1 A 87 87 SER CA C 87 60.271 56.363 3.908 1
1 1070 . 9 1 1 A 87 87 SER CB C 87 63.601 65.490 -1.889 1
1 1071 . 9 1 1 A 87 87 SER N N 87 115.071 113.757 1.314 1
1 1072 . 9 1 1 A 88 88 GLU H H 88 7.891 8.553 -0.662 1
1 1073 . 9 1 1 A 88 88 GLU HA H 88 4.316 4.854 -0.538 1
1 1078 . 9 1 1 A 88 88 GLU C C 88 176.801 175.930 0.871 1
1 1079 . 9 1 1 A 88 88 GLU CA C 88 57.036 55.348 1.688 1
1 1080 . 9 1 1 A 88 88 GLU CB C 88 30.024 30.006 0.018 1
1 1082 . 9 1 1 A 88 88 GLU N N 88 121.067 125.077 -4.010 1
1 1083 . 9 1 1 A 89 89 SER H H 89 7.934 8.722 -0.788 1
1 1084 . 9 1 1 A 89 89 SER HA H 89 4.503 4.033 0.470 1
1 1087 . 9 1 1 A 89 89 SER C C 89 174.624 174.004 0.620 1
1 1088 . 9 1 1 A 89 89 SER CA C 89 58.875 59.282 -0.407 1
1 1089 . 9 1 1 A 89 89 SER CB C 89 64.040 61.995 2.045 1
1 1090 . 9 1 1 A 89 89 SER N N 89 115.241 113.857 1.384 1
1 1091 . 9 1 1 A 90 90 GLY H H 90 8.062 8.054 0.008 1
1 1092 . 9 1 1 A 90 90 GLY HA2 H 90 4.210 4.100 0.110 1
1 1093 . 9 1 1 A 90 90 GLY HA3 H 90 4.083 4.101 -0.018 1
1 1094 . 9 1 1 A 90 90 GLY C C 90 171.774 174.640 -2.866 1
1 1095 . 9 1 1 A 90 90 GLY CA C 90 44.872 44.162 0.710 1
1 1096 . 9 1 1 A 90 90 GLY N N 90 110.384 107.753 2.631 1
1 1097 . 9 1 1 A 91 91 PRO HA H 91 4.495 4.434 0.061 1
1 1104 . 9 1 1 A 91 91 PRO C C 91 177.475 178.532 -1.057 1
1 1105 . 9 1 1 A 91 91 PRO CA C 91 63.295 64.583 -1.288 1
1 1106 . 9 1 1 A 91 91 PRO CB C 91 32.234 31.808 0.426 1
1 1109 . 9 1 1 A 92 92 SER H H 92 8.557 8.238 0.319 1
1 1110 . 9 1 1 A 92 92 SER HA H 92 4.575 4.209 0.366 1
1 1113 . 9 1 1 A 92 92 SER C C 92 174.736 176.450 -1.714 1
1 1114 . 9 1 1 A 92 92 SER CA C 92 58.380 61.520 -3.140 1
1 1115 . 9 1 1 A 92 92 SER CB C 92 64.221 62.810 1.411 1
1 1 . 10 1 1 A 6 6 SER H H 6 8.063 8.192 -0.129 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.493 4.510 -0.017 1
1 5 . 10 1 1 A 6 6 SER CA C 6 59.071 57.534 1.537 1
1 6 . 10 1 1 A 6 6 SER CB C 6 63.626 62.791 0.835 1
1 7 . 10 1 1 A 7 7 GLY H H 7 8.424 8.227 0.197 1
1 8 . 10 1 1 A 7 7 GLY HA2 H 7 3.985 3.879 0.106 1
1 9 . 10 1 1 A 7 7 GLY HA3 H 7 3.834 3.879 -0.045 1
1 10 . 10 1 1 A 7 7 GLY CA C 7 47.092 46.714 0.378 1
1 11 . 10 1 1 A 7 7 GLY N N 7 109.548 110.162 -0.614 1
1 12 . 10 1 1 A 8 8 ILE H H 8 7.565 7.650 -0.085 1
1 13 . 10 1 1 A 8 8 ILE HA H 8 3.883 4.079 -0.196 1
1 23 . 10 1 1 A 8 8 ILE CA C 8 63.805 61.510 2.295 1
1 24 . 10 1 1 A 8 8 ILE CB C 8 37.866 37.713 0.153 1
1 28 . 10 1 1 A 8 8 ILE N N 8 123.348 120.859 2.489 1
1 29 . 10 1 1 A 9 9 VAL H H 9 7.538 8.234 -0.696 1
1 30 . 10 1 1 A 9 9 VAL HA H 9 3.471 4.828 -1.357 1
1 38 . 10 1 1 A 9 9 VAL CA C 9 66.382 59.512 6.870 1
1 39 . 10 1 1 A 9 9 VAL CB C 9 31.755 34.317 -2.562 1
1 42 . 10 1 1 A 9 9 VAL N N 9 121.471 125.611 -4.140 1
1 43 . 10 1 1 A 10 10 LEU H H 10 7.941 9.163 -1.222 1
1 44 . 10 1 1 A 10 10 LEU HA H 10 3.848 3.938 -0.090 1
1 54 . 10 1 1 A 10 10 LEU CA C 10 58.619 57.762 0.857 1
1 55 . 10 1 1 A 10 10 LEU CB C 10 41.377 41.475 -0.098 1
1 59 . 10 1 1 A 10 10 LEU N N 10 119.521 129.333 -9.812 1
1 60 . 10 1 1 A 11 11 LEU H H 11 8.207 8.238 -0.031 1
1 61 . 10 1 1 A 11 11 LEU HA H 11 3.792 4.084 -0.292 1
1 71 . 10 1 1 A 11 11 LEU CA C 11 58.241 58.160 0.081 1
1 72 . 10 1 1 A 11 11 LEU CB C 11 41.790 41.647 0.143 1
1 76 . 10 1 1 A 11 11 LEU N N 11 119.938 120.076 -0.138 1
1 77 . 10 1 1 A 12 12 ARG H H 12 7.904 8.461 -0.557 1
1 78 . 10 1 1 A 12 12 ARG HA H 12 3.966 4.011 -0.045 1
1 85 . 10 1 1 A 12 12 ARG CA C 12 59.301 59.683 -0.382 1
1 86 . 10 1 1 A 12 12 ARG CB C 12 30.132 30.576 -0.444 1
1 89 . 10 1 1 A 12 12 ARG N N 12 116.799 119.481 -2.682 1
1 90 . 10 1 1 A 13 13 GLY H H 13 8.190 8.003 0.187 1
1 91 . 10 1 1 A 13 13 GLY HA2 H 13 3.740 3.766 -0.026 1
1 92 . 10 1 1 A 13 13 GLY HA3 H 13 3.437 3.768 -0.331 1
1 93 . 10 1 1 A 13 13 GLY CA C 13 47.988 47.002 0.986 1
1 94 . 10 1 1 A 13 13 GLY N N 13 107.618 106.846 0.772 1
1 95 . 10 1 1 A 14 14 LEU H H 14 8.515 7.950 0.565 1
1 96 . 10 1 1 A 14 14 LEU HA H 14 3.785 4.053 -0.268 1
1 106 . 10 1 1 A 14 14 LEU C C 14 178.232 178.825 -0.593 1
1 107 . 10 1 1 A 14 14 LEU CA C 14 57.401 57.875 -0.474 1
1 108 . 10 1 1 A 14 14 LEU CB C 14 41.981 41.768 0.213 1
1 112 . 10 1 1 A 14 14 LEU N N 14 120.161 122.717 -2.556 1
1 113 . 10 1 1 A 15 15 GLU H H 15 7.931 8.276 -0.345 1
1 114 . 10 1 1 A 15 15 GLU HA H 15 4.030 3.879 0.151 1
1 119 . 10 1 1 A 15 15 GLU CA C 15 57.961 59.666 -1.705 1
1 120 . 10 1 1 A 15 15 GLU CB C 15 30.140 29.213 0.927 1
1 122 . 10 1 1 A 15 15 GLU N N 15 114.703 117.213 -2.510 1
1 123 . 10 1 1 A 16 16 CYS H H 16 7.612 8.264 -0.652 1
1 124 . 10 1 1 A 16 16 CYS HA H 16 4.457 4.115 0.342 1
1 127 . 10 1 1 A 16 16 CYS CA C 16 60.982 63.062 -2.080 1
1 128 . 10 1 1 A 16 16 CYS CB C 16 27.917 27.284 0.633 1
1 129 . 10 1 1 A 16 16 CYS N N 16 114.695 119.850 -5.155 1
1 130 . 10 1 1 A 17 17 ILE H H 17 7.142 7.608 -0.466 1
1 131 . 10 1 1 A 17 17 ILE HA H 17 4.533 4.327 0.206 1
1 141 . 10 1 1 A 17 17 ILE CA C 17 61.521 60.974 0.547 1
1 142 . 10 1 1 A 17 17 ILE CB C 17 39.206 38.935 0.271 1
1 146 . 10 1 1 A 17 17 ILE N N 17 115.031 117.820 -2.789 1
1 147 . 10 1 1 A 18 18 ASN H H 18 8.325 8.994 -0.669 1
1 148 . 10 1 1 A 18 18 ASN HA H 18 4.575 4.767 -0.192 1
1 153 . 10 1 1 A 18 18 ASN C C 18 175.171 177.011 -1.840 1
1 154 . 10 1 1 A 18 18 ASN CA C 18 53.278 53.579 -0.301 1
1 155 . 10 1 1 A 18 18 ASN CB C 18 38.419 38.925 -0.506 1
1 156 . 10 1 1 A 18 18 ASN N N 18 119.943 122.828 -2.885 1
1 158 . 10 1 1 A 19 19 LYS H H 19 8.514 8.803 -0.289 1
1 159 . 10 1 1 A 19 19 LYS HA H 19 4.242 4.163 0.079 1
1 168 . 10 1 1 A 19 19 LYS C C 19 178.868 178.908 -0.040 1
1 169 . 10 1 1 A 19 19 LYS CA C 19 60.006 59.745 0.261 1
1 170 . 10 1 1 A 19 19 LYS CB C 19 32.291 32.329 -0.038 1
1 174 . 10 1 1 A 19 19 LYS N N 19 118.191 123.380 -5.189 1
1 175 . 10 1 1 A 20 20 HIS H H 20 8.328 8.035 0.293 1
1 176 . 10 1 1 A 20 20 HIS HA H 20 4.371 4.336 0.035 1
1 181 . 10 1 1 A 20 20 HIS C C 20 178.335 176.761 1.574 1
1 182 . 10 1 1 A 20 20 HIS CA C 20 59.785 59.142 0.643 1
1 183 . 10 1 1 A 20 20 HIS CB C 20 29.879 30.163 -0.284 1
1 186 . 10 1 1 A 20 20 HIS N N 20 120.900 119.725 1.175 1
1 187 . 10 1 1 A 21 21 TYR H H 21 8.464 8.235 0.229 1
1 188 . 10 1 1 A 21 21 TYR HA H 21 4.540 4.232 0.308 1
1 195 . 10 1 1 A 21 21 TYR C C 21 178.222 178.618 -0.396 1
1 196 . 10 1 1 A 21 21 TYR CA C 21 61.863 61.736 0.127 1
1 197 . 10 1 1 A 21 21 TYR CB C 21 38.012 38.262 -0.250 1
1 202 . 10 1 1 A 21 21 TYR N N 21 118.132 117.772 0.360 1
1 203 . 10 1 1 A 22 22 PHE H H 22 9.095 8.311 0.784 1
1 204 . 10 1 1 A 22 22 PHE HA H 22 4.616 4.175 0.441 1
1 212 . 10 1 1 A 22 22 PHE C C 22 177.409 177.605 -0.196 1
1 213 . 10 1 1 A 22 22 PHE CA C 22 59.761 61.773 -2.012 1
1 214 . 10 1 1 A 22 22 PHE CB C 22 38.982 39.339 -0.357 1
1 220 . 10 1 1 A 22 22 PHE N N 22 121.771 120.978 0.793 1
1 221 . 10 1 1 A 23 23 SER H H 23 8.400 8.148 0.252 1
1 222 . 10 1 1 A 23 23 SER HA H 23 3.785 3.908 -0.123 1
1 225 . 10 1 1 A 23 23 SER C C 23 177.318 177.264 0.054 1
1 226 . 10 1 1 A 23 23 SER CA C 23 62.453 61.286 1.167 1
1 227 . 10 1 1 A 23 23 SER CB C 23 62.279 62.898 -0.619 1
1 228 . 10 1 1 A 23 23 SER N N 23 115.511 113.698 1.813 1
1 229 . 10 1 1 A 24 24 LEU H H 24 7.737 8.278 -0.541 1
1 230 . 10 1 1 A 24 24 LEU HA H 24 4.118 3.967 0.151 1
1 240 . 10 1 1 A 24 24 LEU C C 24 178.956 179.046 -0.090 1
1 241 . 10 1 1 A 24 24 LEU CA C 24 57.992 57.685 0.307 1
1 242 . 10 1 1 A 24 24 LEU CB C 24 42.066 42.319 -0.253 1
1 246 . 10 1 1 A 24 24 LEU N N 24 123.378 122.178 1.200 1
1 247 . 10 1 1 A 25 25 PHE H H 25 8.643 7.748 0.895 1
1 248 . 10 1 1 A 25 25 PHE HA H 25 3.475 3.281 0.194 1
1 256 . 10 1 1 A 25 25 PHE C C 25 176.905 177.091 -0.186 1
1 257 . 10 1 1 A 25 25 PHE CA C 25 61.196 61.142 0.054 1
1 258 . 10 1 1 A 25 25 PHE CB C 25 38.741 38.875 -0.134 1
1 264 . 10 1 1 A 25 25 PHE N N 25 122.640 118.859 3.781 1
1 265 . 10 1 1 A 26 26 LYS H H 26 8.022 7.788 0.234 1
1 266 . 10 1 1 A 26 26 LYS HA H 26 3.197 3.611 -0.414 1
1 275 . 10 1 1 A 26 26 LYS C C 26 177.424 178.518 -1.094 1
1 276 . 10 1 1 A 26 26 LYS CA C 26 61.439 59.073 2.366 1
1 277 . 10 1 1 A 26 26 LYS CB C 26 32.363 31.683 0.680 1
1 281 . 10 1 1 A 26 26 LYS N N 26 116.023 117.390 -1.367 1
1 282 . 10 1 1 A 27 27 SER H H 27 7.473 7.582 -0.109 1
1 283 . 10 1 1 A 27 27 SER HA H 27 4.134 4.384 -0.250 1
1 286 . 10 1 1 A 27 27 SER C C 27 177.449 177.326 0.123 1
1 287 . 10 1 1 A 27 27 SER CA C 27 61.544 60.967 0.577 1
1 288 . 10 1 1 A 27 27 SER CB C 27 62.828 62.742 0.086 1
1 289 . 10 1 1 A 27 27 SER N N 27 111.668 115.156 -3.488 1
1 290 . 10 1 1 A 28 28 LEU H H 28 7.625 7.633 -0.008 1
1 291 . 10 1 1 A 28 28 LEU HA H 28 4.117 3.994 0.123 1
1 301 . 10 1 1 A 28 28 LEU C C 28 179.076 179.059 0.017 1
1 302 . 10 1 1 A 28 28 LEU CA C 28 57.336 57.365 -0.029 1
1 303 . 10 1 1 A 28 28 LEU CB C 28 41.585 41.464 0.121 1
1 307 . 10 1 1 A 28 28 LEU N N 28 123.121 121.305 1.816 1
1 308 . 10 1 1 A 29 29 LEU H H 29 7.391 7.123 0.268 1
1 309 . 10 1 1 A 29 29 LEU HA H 29 4.276 4.065 0.211 1
1 319 . 10 1 1 A 29 29 LEU C C 29 177.606 178.124 -0.518 1
1 320 . 10 1 1 A 29 29 LEU CA C 29 54.243 56.291 -2.048 1
1 321 . 10 1 1 A 29 29 LEU CB C 29 41.665 41.932 -0.267 1
1 325 . 10 1 1 A 29 29 LEU N N 29 119.910 119.071 0.839 1
1 326 . 10 1 1 A 30 30 ALA H H 30 7.242 8.343 -1.101 1
1 327 . 10 1 1 A 30 30 ALA HA H 30 3.505 3.840 -0.335 1
1 331 . 10 1 1 A 30 30 ALA C C 30 179.568 179.603 -0.035 1
1 332 . 10 1 1 A 30 30 ALA CA C 30 56.470 55.298 1.172 1
1 333 . 10 1 1 A 30 30 ALA CB C 30 18.818 18.571 0.247 1
1 334 . 10 1 1 A 30 30 ALA N N 30 122.470 121.762 0.708 1
1 335 . 10 1 1 A 31 31 ARG H H 31 8.256 7.884 0.372 1
1 336 . 10 1 1 A 31 31 ARG HA H 31 4.142 4.056 0.086 1
1 343 . 10 1 1 A 31 31 ARG C C 31 179.303 178.423 0.880 1
1 344 . 10 1 1 A 31 31 ARG CA C 31 58.917 58.916 0.001 1
1 345 . 10 1 1 A 31 31 ARG CB C 31 29.407 30.076 -0.669 1
1 348 . 10 1 1 A 31 31 ARG N N 31 116.240 116.919 -0.679 1
1 349 . 10 1 1 A 32 32 ASP H H 32 8.205 8.152 0.053 1
1 350 . 10 1 1 A 32 32 ASP HA H 32 4.334 4.412 -0.078 1
1 353 . 10 1 1 A 32 32 ASP C C 32 177.470 178.401 -0.931 1
1 354 . 10 1 1 A 32 32 ASP CA C 32 57.336 57.116 0.220 1
1 355 . 10 1 1 A 32 32 ASP CB C 32 41.582 40.805 0.777 1
1 356 . 10 1 1 A 32 32 ASP N N 32 120.398 120.157 0.241 1
1 357 . 10 1 1 A 33 33 LEU H H 33 7.933 8.155 -0.222 1
1 358 . 10 1 1 A 33 33 LEU HA H 33 4.206 4.131 0.075 1
1 368 . 10 1 1 A 33 33 LEU C C 33 175.261 176.678 -1.417 1
1 369 . 10 1 1 A 33 33 LEU CA C 33 53.700 55.864 -2.164 1
1 370 . 10 1 1 A 33 33 LEU CB C 33 41.306 41.994 -0.688 1
1 374 . 10 1 1 A 33 33 LEU N N 33 113.338 118.347 -5.009 1
1 375 . 10 1 1 A 34 34 ASN H H 34 7.688 8.178 -0.490 1
1 376 . 10 1 1 A 34 34 ASN HA H 34 4.307 4.518 -0.211 1
1 381 . 10 1 1 A 34 34 ASN C C 34 175.092 174.536 0.556 1
1 382 . 10 1 1 A 34 34 ASN CA C 34 53.960 54.400 -0.440 1
1 383 . 10 1 1 A 34 34 ASN CB C 34 37.073 37.728 -0.655 1
1 384 . 10 1 1 A 34 34 ASN N N 34 116.912 117.384 -0.472 1
1 386 . 10 1 1 A 35 35 LEU H H 35 8.177 7.554 0.623 1
1 387 . 10 1 1 A 35 35 LEU HA H 35 4.008 4.190 -0.182 1
1 397 . 10 1 1 A 35 35 LEU C C 35 177.637 176.847 0.790 1
1 398 . 10 1 1 A 35 35 LEU CA C 35 54.233 54.797 -0.564 1
1 399 . 10 1 1 A 35 35 LEU CB C 35 41.024 42.245 -1.221 1
1 403 . 10 1 1 A 35 35 LEU N N 35 115.363 120.350 -4.987 1
1 404 . 10 1 1 A 36 36 GLU H H 36 8.419 8.706 -0.287 1
1 405 . 10 1 1 A 36 36 GLU HA H 36 4.175 4.311 -0.136 1
1 410 . 10 1 1 A 36 36 GLU C C 36 177.626 178.399 -0.773 1
1 411 . 10 1 1 A 36 36 GLU CA C 36 56.872 57.223 -0.351 1
1 412 . 10 1 1 A 36 36 GLU CB C 36 29.675 30.395 -0.720 1
1 414 . 10 1 1 A 36 36 GLU N N 36 122.591 120.278 2.313 1
1 415 . 10 1 1 A 37 37 ARG H H 37 8.577 8.847 -0.270 1
1 416 . 10 1 1 A 37 37 ARG HA H 37 3.889 4.088 -0.199 1
1 423 . 10 1 1 A 37 37 ARG C C 37 178.119 176.461 1.658 1
1 424 . 10 1 1 A 37 37 ARG CA C 37 58.924 58.890 0.034 1
1 425 . 10 1 1 A 37 37 ARG CB C 37 30.074 29.914 0.160 1
1 428 . 10 1 1 A 37 37 ARG N N 37 124.790 122.911 1.879 1
1 429 . 10 1 1 A 38 38 ASP H H 38 8.623 8.376 0.247 1
1 430 . 10 1 1 A 38 38 ASP HA H 38 4.591 5.006 -0.415 1
1 433 . 10 1 1 A 38 38 ASP C C 38 176.021 176.605 -0.584 1
1 434 . 10 1 1 A 38 38 ASP CA C 38 55.073 54.986 0.087 1
1 435 . 10 1 1 A 38 38 ASP CB C 38 40.722 44.033 -3.311 1
1 436 . 10 1 1 A 38 38 ASP N N 38 116.313 118.734 -2.421 1
1 437 . 10 1 1 A 39 39 ASN H H 39 7.668 7.963 -0.295 1
1 438 . 10 1 1 A 39 39 ASN HA H 39 4.936 4.754 0.182 1
1 443 . 10 1 1 A 39 39 ASN C C 39 175.702 175.904 -0.202 1
1 444 . 10 1 1 A 39 39 ASN CA C 39 52.626 51.880 0.746 1
1 445 . 10 1 1 A 39 39 ASN CB C 39 38.966 36.499 2.467 1
1 446 . 10 1 1 A 39 39 ASN N N 39 116.330 117.634 -1.304 1
1 448 . 10 1 1 A 40 40 GLN H H 40 8.324 8.506 -0.182 1
1 449 . 10 1 1 A 40 40 GLN HA H 40 4.285 4.365 -0.080 1
1 456 . 10 1 1 A 40 40 GLN C C 40 178.897 178.331 0.566 1
1 457 . 10 1 1 A 40 40 GLN CA C 40 58.513 58.003 0.510 1
1 458 . 10 1 1 A 40 40 GLN CB C 40 29.225 28.773 0.452 1
1 460 . 10 1 1 A 40 40 GLN N N 40 119.556 124.062 -4.506 1
1 462 . 10 1 1 A 41 41 GLU H H 41 8.956 8.202 0.754 1
1 463 . 10 1 1 A 41 41 GLU HA H 41 3.950 4.014 -0.064 1
1 468 . 10 1 1 A 41 41 GLU C C 41 176.712 178.841 -2.129 1
1 469 . 10 1 1 A 41 41 GLU CA C 41 58.716 59.641 -0.925 1
1 470 . 10 1 1 A 41 41 GLU CB C 41 29.124 29.345 -0.221 1
1 472 . 10 1 1 A 41 41 GLU N N 41 121.919 120.320 1.599 1
1 473 . 10 1 1 A 42 42 GLN H H 42 7.634 8.439 -0.805 1
1 474 . 10 1 1 A 42 42 GLN HA H 42 4.052 4.157 -0.105 1
1 481 . 10 1 1 A 42 42 GLN C C 42 176.286 176.267 0.019 1
1 482 . 10 1 1 A 42 42 GLN CA C 42 56.859 58.135 -1.276 1
1 483 . 10 1 1 A 42 42 GLN CB C 42 28.418 28.431 -0.013 1
1 485 . 10 1 1 A 42 42 GLN N N 42 114.515 116.916 -2.401 1
1 487 . 10 1 1 A 43 43 TYR H H 43 6.692 8.217 -1.525 1
1 488 . 10 1 1 A 43 43 TYR HA H 43 4.866 4.605 0.261 1
1 495 . 10 1 1 A 43 43 TYR C C 43 177.063 175.338 1.725 1
1 496 . 10 1 1 A 43 43 TYR CA C 43 58.627 59.185 -0.558 1
1 497 . 10 1 1 A 43 43 TYR CB C 43 39.628 39.158 0.470 1
1 502 . 10 1 1 A 43 43 TYR N N 43 116.167 119.950 -3.783 1
1 503 . 10 1 1 A 44 44 THR H H 44 8.785 8.425 0.360 1
1 504 . 10 1 1 A 44 44 THR HA H 44 4.800 5.121 -0.321 1
1 509 . 10 1 1 A 44 44 THR C C 44 176.061 175.527 0.534 1
1 510 . 10 1 1 A 44 44 THR CA C 44 60.519 60.340 0.179 1
1 511 . 10 1 1 A 44 44 THR CB C 44 71.926 70.940 0.986 1
1 513 . 10 1 1 A 44 44 THR N N 44 116.779 114.580 2.199 1
1 514 . 10 1 1 A 45 45 THR H H 45 8.849 8.821 0.028 1
1 515 . 10 1 1 A 45 45 THR HA H 45 3.626 3.882 -0.256 1
1 520 . 10 1 1 A 45 45 THR C C 45 176.458 176.725 -0.267 1
1 521 . 10 1 1 A 45 45 THR CA C 45 65.716 65.558 0.158 1
1 522 . 10 1 1 A 45 45 THR CB C 45 67.141 68.422 -1.281 1
1 524 . 10 1 1 A 45 45 THR N N 45 112.579 113.824 -1.245 1
1 525 . 10 1 1 A 46 46 ILE H H 46 7.144 7.931 -0.787 1
1 526 . 10 1 1 A 46 46 ILE HA H 46 3.803 3.702 0.101 1
1 536 . 10 1 1 A 46 46 ILE C C 46 177.573 177.785 -0.212 1
1 537 . 10 1 1 A 46 46 ILE CA C 46 64.078 65.251 -1.173 1
1 538 . 10 1 1 A 46 46 ILE CB C 46 38.733 37.592 1.141 1
1 542 . 10 1 1 A 46 46 ILE N N 46 119.409 123.316 -3.907 1
1 543 . 10 1 1 A 47 47 GLN H H 47 7.552 7.916 -0.364 1
1 544 . 10 1 1 A 47 47 GLN HA H 47 4.124 4.014 0.110 1
1 551 . 10 1 1 A 47 47 GLN C C 47 179.640 178.694 0.946 1
1 552 . 10 1 1 A 47 47 GLN CA C 47 59.282 59.337 -0.055 1
1 553 . 10 1 1 A 47 47 GLN CB C 47 29.242 28.588 0.654 1
1 555 . 10 1 1 A 47 47 GLN N N 47 119.564 118.468 1.096 1
1 557 . 10 1 1 A 48 48 ILE H H 48 8.520 7.831 0.689 1
1 558 . 10 1 1 A 48 48 ILE HA H 48 3.861 3.839 0.022 1
1 568 . 10 1 1 A 48 48 ILE C C 48 177.779 177.980 -0.201 1
1 569 . 10 1 1 A 48 48 ILE CA C 48 61.208 65.640 -4.432 1
1 570 . 10 1 1 A 48 48 ILE CB C 48 34.654 37.948 -3.294 1
1 574 . 10 1 1 A 48 48 ILE N N 48 118.052 120.634 -2.582 1
1 575 . 10 1 1 A 49 49 ALA H H 49 8.826 8.571 0.255 1
1 576 . 10 1 1 A 49 49 ALA HA H 49 4.071 4.081 -0.010 1
1 580 . 10 1 1 A 49 49 ALA C C 49 179.849 179.446 0.403 1
1 581 . 10 1 1 A 49 49 ALA CA C 49 55.909 56.017 -0.108 1
1 582 . 10 1 1 A 49 49 ALA CB C 49 18.289 18.313 -0.024 1
1 583 . 10 1 1 A 49 49 ALA N N 49 123.182 122.595 0.587 1
1 584 . 10 1 1 A 50 50 ASN H H 50 8.319 8.097 0.222 1
1 585 . 10 1 1 A 50 50 ASN HA H 50 4.517 4.482 0.035 1
1 590 . 10 1 1 A 50 50 ASN CA C 50 56.309 56.662 -0.353 1
1 591 . 10 1 1 A 50 50 ASN CB C 50 38.198 38.344 -0.146 1
1 592 . 10 1 1 A 50 50 ASN N N 50 116.379 117.370 -0.991 1
1 594 . 10 1 1 A 51 51 MET H H 51 8.233 8.203 0.030 1
1 595 . 10 1 1 A 51 51 MET HA H 51 4.132 4.136 -0.004 1
1 603 . 10 1 1 A 51 51 MET CA C 51 59.312 58.510 0.802 1
1 604 . 10 1 1 A 51 51 MET CB C 51 34.763 32.325 2.438 1
1 607 . 10 1 1 A 51 51 MET N N 51 119.934 118.040 1.894 1
1 608 . 10 1 1 A 52 52 MET H H 52 8.926 8.226 0.700 1
1 609 . 10 1 1 A 52 52 MET HA H 52 3.874 4.372 -0.498 1
1 617 . 10 1 1 A 52 52 MET C C 52 177.228 178.727 -1.499 1
1 618 . 10 1 1 A 52 52 MET CA C 52 60.218 58.230 1.988 1
1 619 . 10 1 1 A 52 52 MET CB C 52 33.427 31.827 1.600 1
1 622 . 10 1 1 A 52 52 MET N N 52 120.686 118.803 1.883 1
1 623 . 10 1 1 A 53 53 GLU H H 53 8.111 8.360 -0.249 1
1 624 . 10 1 1 A 53 53 GLU HA H 53 3.863 4.094 -0.231 1
1 629 . 10 1 1 A 53 53 GLU C C 53 177.640 178.610 -0.970 1
1 630 . 10 1 1 A 53 53 GLU CA C 53 59.847 59.554 0.293 1
1 631 . 10 1 1 A 53 53 GLU CB C 53 29.778 29.361 0.417 1
1 633 . 10 1 1 A 53 53 GLU N N 53 119.207 118.548 0.659 1
1 634 . 10 1 1 A 54 54 GLU H H 54 7.030 7.954 -0.924 1
1 635 . 10 1 1 A 54 54 GLU HA H 54 4.014 4.173 -0.159 1
1 640 . 10 1 1 A 54 54 GLU C C 54 178.008 179.022 -1.014 1
1 641 . 10 1 1 A 54 54 GLU CA C 54 58.211 58.817 -0.606 1
1 642 . 10 1 1 A 54 54 GLU CB C 54 30.149 29.953 0.196 1
1 644 . 10 1 1 A 54 54 GLU N N 54 115.049 118.697 -3.648 1
1 645 . 10 1 1 A 55 55 LYS H H 55 7.670 7.841 -0.171 1
1 646 . 10 1 1 A 55 55 LYS HA H 55 3.930 3.861 0.069 1
1 655 . 10 1 1 A 55 55 LYS C C 55 175.986 176.386 -0.400 1
1 656 . 10 1 1 A 55 55 LYS CA C 55 56.405 58.473 -2.068 1
1 657 . 10 1 1 A 55 55 LYS CB C 55 32.705 32.584 0.121 1
1 661 . 10 1 1 A 55 55 LYS N N 55 117.040 120.345 -3.305 1
1 662 . 10 1 1 A 56 56 PHE H H 56 8.079 8.152 -0.073 1
1 663 . 10 1 1 A 56 56 PHE HA H 56 5.215 5.072 0.143 1
1 671 . 10 1 1 A 56 56 PHE CA C 56 53.965 54.923 -0.958 1
1 672 . 10 1 1 A 56 56 PHE CB C 56 38.759 39.247 -0.488 1
1 678 . 10 1 1 A 56 56 PHE N N 56 117.341 116.361 0.980 1
1 679 . 10 1 1 A 57 57 PRO HA H 57 4.514 4.538 -0.024 1
1 686 . 10 1 1 A 57 57 PRO CA C 57 64.818 64.155 0.663 1
1 687 . 10 1 1 A 57 57 PRO CB C 57 32.192 31.933 0.259 1
1 690 . 10 1 1 A 58 58 ALA H H 58 8.619 8.333 0.286 1
1 691 . 10 1 1 A 58 58 ALA HA H 58 4.206 4.129 0.077 1
1 695 . 10 1 1 A 58 58 ALA CA C 58 55.406 55.260 0.146 1
1 696 . 10 1 1 A 58 58 ALA CB C 58 18.353 18.919 -0.566 1
1 697 . 10 1 1 A 58 58 ALA N N 58 120.173 121.202 -1.029 1
1 698 . 10 1 1 A 59 59 ASP H H 59 7.515 7.821 -0.306 1
1 699 . 10 1 1 A 59 59 ASP HA H 59 4.810 4.809 0.001 1
1 702 . 10 1 1 A 59 59 ASP CA C 59 52.659 53.303 -0.644 1
1 703 . 10 1 1 A 59 59 ASP CB C 59 41.778 41.997 -0.219 1
1 704 . 10 1 1 A 59 59 ASP N N 59 113.536 115.292 -1.756 1
1 705 . 10 1 1 A 60 60 SER H H 60 8.392 8.496 -0.104 1
1 706 . 10 1 1 A 60 60 SER HA H 60 4.176 4.635 -0.459 1
1 709 . 10 1 1 A 60 60 SER CA C 60 60.221 59.608 0.613 1
1 710 . 10 1 1 A 60 60 SER CB C 60 62.050 61.644 0.406 1
1 711 . 10 1 1 A 60 60 SER N N 60 113.717 113.158 0.559 1
1 712 . 10 1 1 A 61 61 GLY H H 61 8.299 8.395 -0.096 1
1 713 . 10 1 1 A 61 61 GLY HA2 H 61 4.005 4.019 -0.014 1
1 714 . 10 1 1 A 61 61 GLY HA3 H 61 3.502 4.111 -0.609 1
1 715 . 10 1 1 A 61 61 GLY CA C 61 45.554 45.246 0.308 1
1 716 . 10 1 1 A 61 61 GLY N N 61 104.225 106.220 -1.995 1
1 717 . 10 1 1 A 62 62 LEU H H 62 7.927 8.142 -0.215 1
1 718 . 10 1 1 A 62 62 LEU HA H 62 3.915 3.944 -0.029 1
1 728 . 10 1 1 A 62 62 LEU CA C 62 58.075 58.076 -0.001 1
1 729 . 10 1 1 A 62 62 LEU CB C 62 41.731 41.882 -0.151 1
1 733 . 10 1 1 A 62 62 LEU N N 62 122.094 122.831 -0.737 1
1 734 . 10 1 1 A 63 63 GLY H H 63 8.566 8.289 0.277 1
1 735 . 10 1 1 A 63 63 GLY HA2 H 63 3.847 3.783 0.064 1
1 736 . 10 1 1 A 63 63 GLY HA3 H 63 3.592 3.788 -0.196 1
1 737 . 10 1 1 A 63 63 GLY CA C 63 47.146 47.273 -0.127 1
1 738 . 10 1 1 A 63 63 GLY N N 63 105.732 106.323 -0.591 1
1 739 . 10 1 1 A 64 64 LYS H H 64 7.509 8.213 -0.704 1
1 740 . 10 1 1 A 64 64 LYS HA H 64 4.115 3.957 0.158 1
1 749 . 10 1 1 A 64 64 LYS C C 64 179.856 178.936 0.920 1
1 750 . 10 1 1 A 64 64 LYS CA C 64 57.768 59.321 -1.553 1
1 751 . 10 1 1 A 64 64 LYS CB C 64 31.542 32.169 -0.627 1
1 755 . 10 1 1 A 64 64 LYS N N 64 120.697 121.966 -1.269 1
1 756 . 10 1 1 A 65 65 LEU H H 65 7.544 8.089 -0.545 1
1 757 . 10 1 1 A 65 65 LEU HA H 65 4.219 3.365 0.854 1
1 767 . 10 1 1 A 65 65 LEU C C 65 178.606 178.291 0.315 1
1 768 . 10 1 1 A 65 65 LEU CA C 65 57.675 57.818 -0.143 1
1 769 . 10 1 1 A 65 65 LEU CB C 65 41.040 41.572 -0.532 1
1 773 . 10 1 1 A 65 65 LEU N N 65 120.399 120.699 -0.300 1
1 774 . 10 1 1 A 66 66 ILE H H 66 8.605 8.231 0.374 1
1 775 . 10 1 1 A 66 66 ILE HA H 66 3.271 3.552 -0.281 1
1 785 . 10 1 1 A 66 66 ILE C C 66 176.721 177.737 -1.016 1
1 786 . 10 1 1 A 66 66 ILE CA C 66 67.612 65.734 1.878 1
1 787 . 10 1 1 A 66 66 ILE CB C 66 38.006 37.658 0.348 1
1 791 . 10 1 1 A 66 66 ILE N N 66 121.170 120.221 0.949 1
1 792 . 10 1 1 A 67 67 GLU H H 67 8.157 7.945 0.212 1
1 793 . 10 1 1 A 67 67 GLU HA H 67 4.007 3.944 0.063 1
1 798 . 10 1 1 A 67 67 GLU C C 67 178.848 179.042 -0.194 1
1 799 . 10 1 1 A 67 67 GLU CA C 67 59.476 59.704 -0.228 1
1 800 . 10 1 1 A 67 67 GLU CB C 67 30.055 29.490 0.565 1
1 802 . 10 1 1 A 67 67 GLU N N 67 118.066 119.085 -1.019 1
1 803 . 10 1 1 A 68 68 PHE H H 68 7.673 7.907 -0.234 1
1 804 . 10 1 1 A 68 68 PHE HA H 68 4.393 4.018 0.375 1
1 812 . 10 1 1 A 68 68 PHE C C 68 176.609 177.406 -0.797 1
1 813 . 10 1 1 A 68 68 PHE CA C 68 60.660 61.856 -1.196 1
1 814 . 10 1 1 A 68 68 PHE CB C 68 39.666 39.272 0.394 1
1 820 . 10 1 1 A 68 68 PHE N N 68 119.383 120.757 -1.374 1
1 821 . 10 1 1 A 69 69 CYS H H 69 8.137 7.692 0.445 1
1 822 . 10 1 1 A 69 69 CYS HA H 69 3.714 3.549 0.165 1
1 825 . 10 1 1 A 69 69 CYS C C 69 175.221 177.264 -2.043 1
1 826 . 10 1 1 A 69 69 CYS CA C 69 62.782 63.426 -0.644 1
1 827 . 10 1 1 A 69 69 CYS CB C 69 26.732 26.773 -0.041 1
1 828 . 10 1 1 A 69 69 CYS N N 69 115.218 116.506 -1.288 1
1 829 . 10 1 1 A 70 70 GLU H H 70 8.108 7.911 0.197 1
1 830 . 10 1 1 A 70 70 GLU HA H 70 3.739 3.910 -0.171 1
1 835 . 10 1 1 A 70 70 GLU C C 70 178.404 179.285 -0.881 1
1 836 . 10 1 1 A 70 70 GLU CA C 70 58.839 59.428 -0.589 1
1 837 . 10 1 1 A 70 70 GLU CB C 70 30.149 29.339 0.810 1
1 839 . 10 1 1 A 70 70 GLU N N 70 113.937 120.392 -6.455 1
1 840 . 10 1 1 A 71 71 GLU H H 71 7.306 7.616 -0.310 1
1 841 . 10 1 1 A 71 71 GLU HA H 71 4.148 3.998 0.150 1
1 846 . 10 1 1 A 71 71 GLU C C 71 176.363 177.580 -1.217 1
1 847 . 10 1 1 A 71 71 GLU CA C 71 56.943 59.466 -2.523 1
1 848 . 10 1 1 A 71 71 GLU CB C 71 30.374 29.360 1.014 1
1 850 . 10 1 1 A 71 71 GLU N N 71 117.591 119.965 -2.374 1
1 851 . 10 1 1 A 72 72 VAL H H 72 7.055 7.562 -0.507 1
1 852 . 10 1 1 A 72 72 VAL HA H 72 4.220 4.063 0.157 1
1 860 . 10 1 1 A 72 72 VAL C C 72 174.906 175.688 -0.782 1
1 861 . 10 1 1 A 72 72 VAL CA C 72 59.360 59.984 -0.624 1
1 862 . 10 1 1 A 72 72 VAL CB C 72 33.462 31.670 1.792 1
1 865 . 10 1 1 A 72 72 VAL N N 72 122.531 120.376 2.155 1
1 866 . 10 1 1 A 73 73 PRO HA H 73 3.887 4.453 -0.566 1
1 873 . 10 1 1 A 73 73 PRO C C 73 179.162 176.711 2.451 1
1 874 . 10 1 1 A 73 73 PRO CA C 73 66.658 64.135 2.523 1
1 875 . 10 1 1 A 73 73 PRO CB C 73 31.819 31.600 0.219 1
1 878 . 10 1 1 A 74 74 ALA H H 74 8.188 8.171 0.017 1
1 879 . 10 1 1 A 74 74 ALA HA H 74 4.217 4.305 -0.088 1
1 883 . 10 1 1 A 74 74 ALA C C 74 178.535 178.169 0.366 1
1 884 . 10 1 1 A 74 74 ALA CA C 74 54.149 52.769 1.380 1
1 885 . 10 1 1 A 74 74 ALA CB C 74 19.305 19.467 -0.162 1
1 886 . 10 1 1 A 74 74 ALA N N 74 116.317 121.067 -4.750 1
1 887 . 10 1 1 A 75 75 LEU H H 75 8.188 7.472 0.716 1
1 888 . 10 1 1 A 75 75 LEU HA H 75 4.607 4.232 0.375 1
1 898 . 10 1 1 A 75 75 LEU C C 75 177.094 177.515 -0.421 1
1 899 . 10 1 1 A 75 75 LEU CA C 75 53.645 54.476 -0.831 1
1 900 . 10 1 1 A 75 75 LEU CB C 75 42.633 42.570 0.063 1
1 904 . 10 1 1 A 75 75 LEU N N 75 116.296 115.375 0.921 1
1 905 . 10 1 1 A 76 76 ARG H H 76 7.332 7.792 -0.460 1
1 906 . 10 1 1 A 76 76 ARG HA H 76 3.789 3.857 -0.068 1
1 913 . 10 1 1 A 76 76 ARG C C 76 179.457 178.882 0.575 1
1 914 . 10 1 1 A 76 76 ARG CA C 76 60.815 60.029 0.786 1
1 915 . 10 1 1 A 76 76 ARG CB C 76 29.535 29.773 -0.238 1
1 918 . 10 1 1 A 76 76 ARG N N 76 122.654 119.848 2.806 1
1 919 . 10 1 1 A 77 77 LYS H H 77 8.489 7.777 0.712 1
1 920 . 10 1 1 A 77 77 LYS HA H 77 4.118 3.921 0.197 1
1 929 . 10 1 1 A 77 77 LYS C C 77 179.135 178.478 0.657 1
1 930 . 10 1 1 A 77 77 LYS CA C 77 58.963 59.461 -0.498 1
1 931 . 10 1 1 A 77 77 LYS CB C 77 31.113 32.278 -1.165 1
1 935 . 10 1 1 A 77 77 LYS N N 77 119.343 119.412 -0.069 1
1 936 . 10 1 1 A 78 78 ARG H H 78 7.626 8.190 -0.564 1
1 937 . 10 1 1 A 78 78 ARG HA H 78 3.931 4.089 -0.158 1
1 944 . 10 1 1 A 78 78 ARG C C 78 178.200 178.044 0.156 1
1 945 . 10 1 1 A 78 78 ARG CA C 78 56.415 58.161 -1.746 1
1 946 . 10 1 1 A 78 78 ARG CB C 78 27.010 29.537 -2.527 1
1 949 . 10 1 1 A 78 78 ARG N N 78 120.202 119.098 1.104 1
1 950 . 10 1 1 A 79 79 ALA H H 79 8.138 8.023 0.115 1
1 951 . 10 1 1 A 79 79 ALA HA H 79 3.837 4.027 -0.190 1
1 955 . 10 1 1 A 79 79 ALA C C 79 178.684 179.891 -1.207 1
1 956 . 10 1 1 A 79 79 ALA CA C 79 55.692 55.070 0.622 1
1 957 . 10 1 1 A 79 79 ALA CB C 79 18.376 18.526 -0.150 1
1 958 . 10 1 1 A 79 79 ALA N N 79 120.388 122.115 -1.727 1
1 959 . 10 1 1 A 80 80 GLU H H 80 7.437 7.976 -0.539 1
1 960 . 10 1 1 A 80 80 GLU HA H 80 3.877 4.079 -0.202 1
1 965 . 10 1 1 A 80 80 GLU C C 80 179.640 178.813 0.827 1
1 966 . 10 1 1 A 80 80 GLU CA C 80 59.370 59.143 0.227 1
1 967 . 10 1 1 A 80 80 GLU CB C 80 29.445 29.374 0.071 1
1 969 . 10 1 1 A 80 80 GLU N N 80 115.384 116.503 -1.119 1
1 970 . 10 1 1 A 81 81 ILE H H 81 7.721 7.729 -0.008 1
1 971 . 10 1 1 A 81 81 ILE HA H 81 3.675 3.714 -0.039 1
1 981 . 10 1 1 A 81 81 ILE C C 81 178.179 178.444 -0.265 1
1 982 . 10 1 1 A 81 81 ILE CA C 81 65.187 65.228 -0.041 1
1 983 . 10 1 1 A 81 81 ILE CB C 81 38.471 37.784 0.687 1
1 987 . 10 1 1 A 81 81 ILE N N 81 121.563 121.009 0.554 1
1 988 . 10 1 1 A 82 82 LEU H H 82 8.374 8.163 0.211 1
1 989 . 10 1 1 A 82 82 LEU HA H 82 3.930 4.004 -0.074 1
1 999 . 10 1 1 A 82 82 LEU C C 82 179.279 179.414 -0.135 1
1 1000 . 10 1 1 A 82 82 LEU CA C 82 58.038 57.080 0.958 1
1 1001 . 10 1 1 A 82 82 LEU CB C 82 42.869 41.586 1.283 1
1 1005 . 10 1 1 A 82 82 LEU N N 82 119.839 120.354 -0.515 1
1 1006 . 10 1 1 A 83 83 LYS H H 83 8.153 8.561 -0.408 1
1 1007 . 10 1 1 A 83 83 LYS HA H 83 3.740 4.013 -0.273 1
1 1016 . 10 1 1 A 83 83 LYS C C 83 179.548 179.122 0.426 1
1 1017 . 10 1 1 A 83 83 LYS CA C 83 60.433 59.473 0.960 1
1 1018 . 10 1 1 A 83 83 LYS CB C 83 32.703 32.482 0.221 1
1 1022 . 10 1 1 A 83 83 LYS N N 83 117.092 120.743 -3.651 1
1 1023 . 10 1 1 A 84 84 LYS H H 84 7.705 8.404 -0.699 1
1 1024 . 10 1 1 A 84 84 LYS HA H 84 4.101 3.929 0.172 1
1 1033 . 10 1 1 A 84 84 LYS C C 84 179.082 178.311 0.771 1
1 1034 . 10 1 1 A 84 84 LYS CA C 84 59.120 59.535 -0.415 1
1 1035 . 10 1 1 A 84 84 LYS CB C 84 32.291 32.124 0.167 1
1 1039 . 10 1 1 A 84 84 LYS N N 84 121.473 121.093 0.380 1
1 1040 . 10 1 1 A 85 85 GLU H H 85 8.567 7.912 0.655 1
1 1041 . 10 1 1 A 85 85 GLU HA H 85 4.013 4.130 -0.117 1
1 1046 . 10 1 1 A 85 85 GLU CA C 85 59.360 59.004 0.356 1
1 1047 . 10 1 1 A 85 85 GLU CB C 85 30.033 29.744 0.289 1
1 1049 . 10 1 1 A 85 85 GLU N N 85 119.645 119.170 0.475 1
1 1050 . 10 1 1 A 86 86 ARG H H 86 8.467 7.748 0.719 1
1 1051 . 10 1 1 A 86 86 ARG HA H 86 4.030 4.123 -0.093 1
1 1058 . 10 1 1 A 86 86 ARG C C 86 177.790 177.165 0.625 1
1 1059 . 10 1 1 A 86 86 ARG CA C 86 58.556 59.162 -0.606 1
1 1060 . 10 1 1 A 86 86 ARG CB C 86 30.377 29.715 0.662 1
1 1063 . 10 1 1 A 86 86 ARG N N 86 119.408 121.334 -1.926 1
1 1064 . 10 1 1 A 87 87 SER H H 87 7.851 8.016 -0.165 1
1 1065 . 10 1 1 A 87 87 SER HA H 87 4.369 4.525 -0.156 1
1 1068 . 10 1 1 A 87 87 SER C C 87 175.282 173.603 1.679 1
1 1069 . 10 1 1 A 87 87 SER CA C 87 60.271 57.096 3.175 1
1 1070 . 10 1 1 A 87 87 SER CB C 87 63.601 63.667 -0.066 1
1 1071 . 10 1 1 A 87 87 SER N N 87 115.071 114.762 0.309 1
1 1072 . 10 1 1 A 88 88 GLU H H 88 7.891 8.832 -0.941 1
1 1073 . 10 1 1 A 88 88 GLU HA H 88 4.316 4.693 -0.377 1
1 1078 . 10 1 1 A 88 88 GLU C C 88 176.801 176.174 0.627 1
1 1079 . 10 1 1 A 88 88 GLU CA C 88 57.036 54.900 2.136 1
1 1080 . 10 1 1 A 88 88 GLU CB C 88 30.024 30.965 -0.941 1
1 1082 . 10 1 1 A 88 88 GLU N N 88 121.067 128.334 -7.267 1
1 1083 . 10 1 1 A 89 89 SER H H 89 7.934 8.787 -0.853 1
1 1084 . 10 1 1 A 89 89 SER HA H 89 4.503 4.007 0.496 1
1 1087 . 10 1 1 A 89 89 SER C C 89 174.624 174.177 0.447 1
1 1088 . 10 1 1 A 89 89 SER CA C 89 58.875 59.165 -0.290 1
1 1089 . 10 1 1 A 89 89 SER CB C 89 64.040 61.849 2.191 1
1 1090 . 10 1 1 A 89 89 SER N N 89 115.241 119.774 -4.533 1
1 1091 . 10 1 1 A 90 90 GLY H H 90 8.062 8.044 0.018 1
1 1092 . 10 1 1 A 90 90 GLY HA2 H 90 4.210 4.072 0.138 1
1 1093 . 10 1 1 A 90 90 GLY HA3 H 90 4.083 4.072 0.011 1
1 1094 . 10 1 1 A 90 90 GLY C C 90 171.774 174.674 -2.900 1
1 1095 . 10 1 1 A 90 90 GLY CA C 90 44.872 44.238 0.634 1
1 1096 . 10 1 1 A 90 90 GLY N N 90 110.384 107.680 2.704 1
1 1097 . 10 1 1 A 91 91 PRO HA H 91 4.495 4.563 -0.068 1
1 1104 . 10 1 1 A 91 91 PRO C C 91 177.475 176.337 1.138 1
1 1105 . 10 1 1 A 91 91 PRO CA C 91 63.295 63.700 -0.405 1
1 1106 . 10 1 1 A 91 91 PRO CB C 91 32.234 32.165 0.069 1
1 1109 . 10 1 1 A 92 92 SER H H 92 8.557 7.619 0.938 1
1 1110 . 10 1 1 A 92 92 SER HA H 92 4.575 4.301 0.274 1
1 1113 . 10 1 1 A 92 92 SER C C 92 174.736 174.185 0.551 1
1 1114 . 10 1 1 A 92 92 SER CA C 92 58.380 60.795 -2.415 1
1 1115 . 10 1 1 A 92 92 SER CB C 92 64.221 63.647 0.574 1
1 1 . 11 1 1 A 6 6 SER H H 6 8.063 9.004 -0.941 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.493 4.032 0.461 1
1 5 . 11 1 1 A 6 6 SER CA C 6 59.071 60.649 -1.578 1
1 6 . 11 1 1 A 6 6 SER CB C 6 63.626 63.794 -0.168 1
1 7 . 11 1 1 A 7 7 GLY H H 7 8.424 8.048 0.376 1
1 8 . 11 1 1 A 7 7 GLY HA2 H 7 3.985 3.955 0.030 1
1 9 . 11 1 1 A 7 7 GLY HA3 H 7 3.834 3.956 -0.122 1
1 10 . 11 1 1 A 7 7 GLY CA C 7 47.092 45.286 1.806 1
1 11 . 11 1 1 A 7 7 GLY N N 7 109.548 108.713 0.835 1
1 12 . 11 1 1 A 8 8 ILE H H 8 7.565 7.852 -0.287 1
1 13 . 11 1 1 A 8 8 ILE HA H 8 3.883 4.039 -0.156 1
1 23 . 11 1 1 A 8 8 ILE CA C 8 63.805 62.303 1.502 1
1 24 . 11 1 1 A 8 8 ILE CB C 8 37.866 38.002 -0.136 1
1 28 . 11 1 1 A 8 8 ILE N N 8 123.348 122.266 1.082 1
1 29 . 11 1 1 A 9 9 VAL H H 9 7.538 8.394 -0.856 1
1 30 . 11 1 1 A 9 9 VAL HA H 9 3.471 4.771 -1.300 1
1 38 . 11 1 1 A 9 9 VAL CA C 9 66.382 59.843 6.539 1
1 39 . 11 1 1 A 9 9 VAL CB C 9 31.755 35.620 -3.865 1
1 42 . 11 1 1 A 9 9 VAL N N 9 121.471 124.053 -2.582 1
1 43 . 11 1 1 A 10 10 LEU H H 10 7.941 9.019 -1.078 1
1 44 . 11 1 1 A 10 10 LEU HA H 10 3.848 3.919 -0.071 1
1 54 . 11 1 1 A 10 10 LEU CA C 10 58.619 57.857 0.762 1
1 55 . 11 1 1 A 10 10 LEU CB C 10 41.377 41.629 -0.252 1
1 59 . 11 1 1 A 10 10 LEU N N 10 119.521 129.226 -9.705 1
1 60 . 11 1 1 A 11 11 LEU H H 11 8.207 8.298 -0.091 1
1 61 . 11 1 1 A 11 11 LEU HA H 11 3.792 3.979 -0.187 1
1 71 . 11 1 1 A 11 11 LEU CA C 11 58.241 58.512 -0.271 1
1 72 . 11 1 1 A 11 11 LEU CB C 11 41.790 41.663 0.127 1
1 76 . 11 1 1 A 11 11 LEU N N 11 119.938 120.184 -0.246 1
1 77 . 11 1 1 A 12 12 ARG H H 12 7.904 8.153 -0.249 1
1 78 . 11 1 1 A 12 12 ARG HA H 12 3.966 3.972 -0.006 1
1 85 . 11 1 1 A 12 12 ARG CA C 12 59.301 59.827 -0.526 1
1 86 . 11 1 1 A 12 12 ARG CB C 12 30.132 30.160 -0.028 1
1 89 . 11 1 1 A 12 12 ARG N N 12 116.799 119.118 -2.319 1
1 90 . 11 1 1 A 13 13 GLY H H 13 8.190 8.378 -0.188 1
1 91 . 11 1 1 A 13 13 GLY HA2 H 13 3.740 3.812 -0.072 1
1 92 . 11 1 1 A 13 13 GLY HA3 H 13 3.437 3.816 -0.379 1
1 93 . 11 1 1 A 13 13 GLY CA C 13 47.988 46.961 1.027 1
1 94 . 11 1 1 A 13 13 GLY N N 13 107.618 106.907 0.711 1
1 95 . 11 1 1 A 14 14 LEU H H 14 8.515 8.279 0.236 1
1 96 . 11 1 1 A 14 14 LEU HA H 14 3.785 3.950 -0.165 1
1 106 . 11 1 1 A 14 14 LEU C C 14 178.232 178.517 -0.285 1
1 107 . 11 1 1 A 14 14 LEU CA C 14 57.401 57.835 -0.434 1
1 108 . 11 1 1 A 14 14 LEU CB C 14 41.981 41.892 0.089 1
1 112 . 11 1 1 A 14 14 LEU N N 14 120.161 122.682 -2.521 1
1 113 . 11 1 1 A 15 15 GLU H H 15 7.931 8.288 -0.357 1
1 114 . 11 1 1 A 15 15 GLU HA H 15 4.030 3.821 0.209 1
1 119 . 11 1 1 A 15 15 GLU CA C 15 57.961 59.826 -1.865 1
1 120 . 11 1 1 A 15 15 GLU CB C 15 30.140 29.147 0.993 1
1 122 . 11 1 1 A 15 15 GLU N N 15 114.703 117.645 -2.942 1
1 123 . 11 1 1 A 16 16 CYS H H 16 7.612 8.278 -0.666 1
1 124 . 11 1 1 A 16 16 CYS HA H 16 4.457 4.063 0.394 1
1 127 . 11 1 1 A 16 16 CYS CA C 16 60.982 62.618 -1.636 1
1 128 . 11 1 1 A 16 16 CYS CB C 16 27.917 27.353 0.564 1
1 129 . 11 1 1 A 16 16 CYS N N 16 114.695 118.763 -4.068 1
1 130 . 11 1 1 A 17 17 ILE H H 17 7.142 7.572 -0.430 1
1 131 . 11 1 1 A 17 17 ILE HA H 17 4.533 4.302 0.231 1
1 141 . 11 1 1 A 17 17 ILE CA C 17 61.521 60.960 0.561 1
1 142 . 11 1 1 A 17 17 ILE CB C 17 39.206 38.929 0.277 1
1 146 . 11 1 1 A 17 17 ILE N N 17 115.031 116.767 -1.736 1
1 147 . 11 1 1 A 18 18 ASN H H 18 8.325 9.082 -0.757 1
1 148 . 11 1 1 A 18 18 ASN HA H 18 4.575 4.831 -0.256 1
1 153 . 11 1 1 A 18 18 ASN C C 18 175.171 177.223 -2.052 1
1 154 . 11 1 1 A 18 18 ASN CA C 18 53.278 53.158 0.120 1
1 155 . 11 1 1 A 18 18 ASN CB C 18 38.419 39.363 -0.944 1
1 156 . 11 1 1 A 18 18 ASN N N 18 119.943 122.139 -2.196 1
1 158 . 11 1 1 A 19 19 LYS H H 19 8.514 8.820 -0.306 1
1 159 . 11 1 1 A 19 19 LYS HA H 19 4.242 4.187 0.055 1
1 168 . 11 1 1 A 19 19 LYS C C 19 178.868 178.660 0.208 1
1 169 . 11 1 1 A 19 19 LYS CA C 19 60.006 60.187 -0.181 1
1 170 . 11 1 1 A 19 19 LYS CB C 19 32.291 32.347 -0.056 1
1 174 . 11 1 1 A 19 19 LYS N N 19 118.191 122.820 -4.629 1
1 175 . 11 1 1 A 20 20 HIS H H 20 8.328 8.238 0.090 1
1 176 . 11 1 1 A 20 20 HIS HA H 20 4.371 4.171 0.200 1
1 181 . 11 1 1 A 20 20 HIS C C 20 178.335 176.865 1.470 1
1 182 . 11 1 1 A 20 20 HIS CA C 20 59.785 59.465 0.320 1
1 183 . 11 1 1 A 20 20 HIS CB C 20 29.879 29.873 0.006 1
1 186 . 11 1 1 A 20 20 HIS N N 20 120.900 119.563 1.337 1
1 187 . 11 1 1 A 21 21 TYR H H 21 8.464 7.953 0.511 1
1 188 . 11 1 1 A 21 21 TYR HA H 21 4.540 4.073 0.467 1
1 195 . 11 1 1 A 21 21 TYR C C 21 178.222 178.536 -0.314 1
1 196 . 11 1 1 A 21 21 TYR CA C 21 61.863 61.676 0.187 1
1 197 . 11 1 1 A 21 21 TYR CB C 21 38.012 38.042 -0.030 1
1 202 . 11 1 1 A 21 21 TYR N N 21 118.132 117.186 0.946 1
1 203 . 11 1 1 A 22 22 PHE H H 22 9.095 8.447 0.648 1
1 204 . 11 1 1 A 22 22 PHE HA H 22 4.616 4.129 0.487 1
1 212 . 11 1 1 A 22 22 PHE C C 22 177.409 177.218 0.191 1
1 213 . 11 1 1 A 22 22 PHE CA C 22 59.761 61.787 -2.026 1
1 214 . 11 1 1 A 22 22 PHE CB C 22 38.982 39.288 -0.306 1
1 220 . 11 1 1 A 22 22 PHE N N 22 121.771 121.183 0.588 1
1 221 . 11 1 1 A 23 23 SER H H 23 8.400 8.596 -0.196 1
1 222 . 11 1 1 A 23 23 SER HA H 23 3.785 3.869 -0.084 1
1 225 . 11 1 1 A 23 23 SER C C 23 177.318 177.292 0.026 1
1 226 . 11 1 1 A 23 23 SER CA C 23 62.453 61.387 1.066 1
1 227 . 11 1 1 A 23 23 SER CB C 23 62.279 63.068 -0.789 1
1 228 . 11 1 1 A 23 23 SER N N 23 115.511 113.882 1.629 1
1 229 . 11 1 1 A 24 24 LEU H H 24 7.737 8.461 -0.724 1
1 230 . 11 1 1 A 24 24 LEU HA H 24 4.118 4.012 0.106 1
1 240 . 11 1 1 A 24 24 LEU C C 24 178.956 179.127 -0.171 1
1 241 . 11 1 1 A 24 24 LEU CA C 24 57.992 57.732 0.260 1
1 242 . 11 1 1 A 24 24 LEU CB C 24 42.066 42.401 -0.335 1
1 246 . 11 1 1 A 24 24 LEU N N 24 123.378 122.097 1.281 1
1 247 . 11 1 1 A 25 25 PHE H H 25 8.643 7.858 0.785 1
1 248 . 11 1 1 A 25 25 PHE HA H 25 3.475 3.233 0.242 1
1 256 . 11 1 1 A 25 25 PHE C C 25 176.905 177.025 -0.120 1
1 257 . 11 1 1 A 25 25 PHE CA C 25 61.196 61.425 -0.229 1
1 258 . 11 1 1 A 25 25 PHE CB C 25 38.741 38.618 0.123 1
1 264 . 11 1 1 A 25 25 PHE N N 25 122.640 118.688 3.952 1
1 265 . 11 1 1 A 26 26 LYS H H 26 8.022 7.873 0.149 1
1 266 . 11 1 1 A 26 26 LYS HA H 26 3.197 3.673 -0.476 1
1 275 . 11 1 1 A 26 26 LYS C C 26 177.424 179.138 -1.714 1
1 276 . 11 1 1 A 26 26 LYS CA C 26 61.439 59.815 1.624 1
1 277 . 11 1 1 A 26 26 LYS CB C 26 32.363 31.798 0.565 1
1 281 . 11 1 1 A 26 26 LYS N N 26 116.023 117.689 -1.666 1
1 282 . 11 1 1 A 27 27 SER H H 27 7.473 7.268 0.205 1
1 283 . 11 1 1 A 27 27 SER HA H 27 4.134 4.372 -0.238 1
1 286 . 11 1 1 A 27 27 SER C C 27 177.449 177.328 0.121 1
1 287 . 11 1 1 A 27 27 SER CA C 27 61.544 60.940 0.604 1
1 288 . 11 1 1 A 27 27 SER CB C 27 62.828 62.760 0.068 1
1 289 . 11 1 1 A 27 27 SER N N 27 111.668 114.922 -3.254 1
1 290 . 11 1 1 A 28 28 LEU H H 28 7.625 7.762 -0.137 1
1 291 . 11 1 1 A 28 28 LEU HA H 28 4.117 4.002 0.115 1
1 301 . 11 1 1 A 28 28 LEU C C 28 179.076 179.028 0.048 1
1 302 . 11 1 1 A 28 28 LEU CA C 28 57.336 57.539 -0.203 1
1 303 . 11 1 1 A 28 28 LEU CB C 28 41.585 41.452 0.133 1
1 307 . 11 1 1 A 28 28 LEU N N 28 123.121 122.291 0.830 1
1 308 . 11 1 1 A 29 29 LEU H H 29 7.391 7.425 -0.034 1
1 309 . 11 1 1 A 29 29 LEU HA H 29 4.276 4.050 0.226 1
1 319 . 11 1 1 A 29 29 LEU C C 29 177.606 178.221 -0.615 1
1 320 . 11 1 1 A 29 29 LEU CA C 29 54.243 56.435 -2.192 1
1 321 . 11 1 1 A 29 29 LEU CB C 29 41.665 42.077 -0.412 1
1 325 . 11 1 1 A 29 29 LEU N N 29 119.910 119.647 0.263 1
1 326 . 11 1 1 A 30 30 ALA H H 30 7.242 8.634 -1.392 1
1 327 . 11 1 1 A 30 30 ALA HA H 30 3.505 3.941 -0.436 1
1 331 . 11 1 1 A 30 30 ALA C C 30 179.568 179.647 -0.079 1
1 332 . 11 1 1 A 30 30 ALA CA C 30 56.470 55.401 1.069 1
1 333 . 11 1 1 A 30 30 ALA CB C 30 18.818 18.698 0.120 1
1 334 . 11 1 1 A 30 30 ALA N N 30 122.470 121.425 1.045 1
1 335 . 11 1 1 A 31 31 ARG H H 31 8.256 7.888 0.368 1
1 336 . 11 1 1 A 31 31 ARG HA H 31 4.142 4.070 0.072 1
1 343 . 11 1 1 A 31 31 ARG C C 31 179.303 178.505 0.798 1
1 344 . 11 1 1 A 31 31 ARG CA C 31 58.917 58.975 -0.058 1
1 345 . 11 1 1 A 31 31 ARG CB C 31 29.407 30.104 -0.697 1
1 348 . 11 1 1 A 31 31 ARG N N 31 116.240 117.081 -0.841 1
1 349 . 11 1 1 A 32 32 ASP H H 32 8.205 7.963 0.242 1
1 350 . 11 1 1 A 32 32 ASP HA H 32 4.334 4.401 -0.067 1
1 353 . 11 1 1 A 32 32 ASP C C 32 177.470 178.246 -0.776 1
1 354 . 11 1 1 A 32 32 ASP CA C 32 57.336 57.105 0.231 1
1 355 . 11 1 1 A 32 32 ASP CB C 32 41.582 40.774 0.808 1
1 356 . 11 1 1 A 32 32 ASP N N 32 120.398 120.102 0.296 1
1 357 . 11 1 1 A 33 33 LEU H H 33 7.933 8.209 -0.276 1
1 358 . 11 1 1 A 33 33 LEU HA H 33 4.206 4.186 0.020 1
1 368 . 11 1 1 A 33 33 LEU C C 33 175.261 176.020 -0.759 1
1 369 . 11 1 1 A 33 33 LEU CA C 33 53.700 54.983 -1.283 1
1 370 . 11 1 1 A 33 33 LEU CB C 33 41.306 41.815 -0.509 1
1 374 . 11 1 1 A 33 33 LEU N N 33 113.338 117.620 -4.282 1
1 375 . 11 1 1 A 34 34 ASN H H 34 7.688 7.990 -0.302 1
1 376 . 11 1 1 A 34 34 ASN HA H 34 4.307 4.649 -0.342 1
1 381 . 11 1 1 A 34 34 ASN C C 34 175.092 174.785 0.307 1
1 382 . 11 1 1 A 34 34 ASN CA C 34 53.960 54.148 -0.188 1
1 383 . 11 1 1 A 34 34 ASN CB C 34 37.073 36.960 0.113 1
1 384 . 11 1 1 A 34 34 ASN N N 34 116.912 115.725 1.187 1
1 386 . 11 1 1 A 35 35 LEU H H 35 8.177 8.022 0.155 1
1 387 . 11 1 1 A 35 35 LEU HA H 35 4.008 4.440 -0.432 1
1 397 . 11 1 1 A 35 35 LEU C C 35 177.637 177.251 0.386 1
1 398 . 11 1 1 A 35 35 LEU CA C 35 54.233 54.763 -0.530 1
1 399 . 11 1 1 A 35 35 LEU CB C 35 41.024 42.555 -1.531 1
1 403 . 11 1 1 A 35 35 LEU N N 35 115.363 119.215 -3.852 1
1 404 . 11 1 1 A 36 36 GLU H H 36 8.419 8.935 -0.516 1
1 405 . 11 1 1 A 36 36 GLU HA H 36 4.175 4.603 -0.428 1
1 410 . 11 1 1 A 36 36 GLU C C 36 177.626 177.465 0.161 1
1 411 . 11 1 1 A 36 36 GLU CA C 36 56.872 55.502 1.370 1
1 412 . 11 1 1 A 36 36 GLU CB C 36 29.675 31.309 -1.634 1
1 414 . 11 1 1 A 36 36 GLU N N 36 122.591 120.060 2.531 1
1 415 . 11 1 1 A 37 37 ARG H H 37 8.577 8.468 0.109 1
1 416 . 11 1 1 A 37 37 ARG HA H 37 3.889 4.412 -0.523 1
1 423 . 11 1 1 A 37 37 ARG C C 37 178.119 176.803 1.316 1
1 424 . 11 1 1 A 37 37 ARG CA C 37 58.924 57.134 1.790 1
1 425 . 11 1 1 A 37 37 ARG CB C 37 30.074 31.853 -1.779 1
1 428 . 11 1 1 A 37 37 ARG N N 37 124.790 120.761 4.029 1
1 429 . 11 1 1 A 38 38 ASP H H 38 8.623 8.239 0.384 1
1 430 . 11 1 1 A 38 38 ASP HA H 38 4.591 4.962 -0.371 1
1 433 . 11 1 1 A 38 38 ASP C C 38 176.021 177.881 -1.860 1
1 434 . 11 1 1 A 38 38 ASP CA C 38 55.073 54.444 0.629 1
1 435 . 11 1 1 A 38 38 ASP CB C 38 40.722 43.205 -2.483 1
1 436 . 11 1 1 A 38 38 ASP N N 38 116.313 119.034 -2.721 1
1 437 . 11 1 1 A 39 39 ASN H H 39 7.668 7.877 -0.209 1
1 438 . 11 1 1 A 39 39 ASN HA H 39 4.936 4.494 0.442 1
1 443 . 11 1 1 A 39 39 ASN C C 39 175.702 177.021 -1.319 1
1 444 . 11 1 1 A 39 39 ASN CA C 39 52.626 54.656 -2.030 1
1 445 . 11 1 1 A 39 39 ASN CB C 39 38.966 38.264 0.702 1
1 446 . 11 1 1 A 39 39 ASN N N 39 116.330 118.159 -1.829 1
1 448 . 11 1 1 A 40 40 GLN H H 40 8.324 7.776 0.548 1
1 449 . 11 1 1 A 40 40 GLN HA H 40 4.285 4.422 -0.137 1
1 456 . 11 1 1 A 40 40 GLN C C 40 178.897 177.840 1.057 1
1 457 . 11 1 1 A 40 40 GLN CA C 40 58.513 58.148 0.365 1
1 458 . 11 1 1 A 40 40 GLN CB C 40 29.225 28.728 0.497 1
1 460 . 11 1 1 A 40 40 GLN N N 40 119.556 118.275 1.281 1
1 462 . 11 1 1 A 41 41 GLU H H 41 8.956 8.056 0.900 1
1 463 . 11 1 1 A 41 41 GLU HA H 41 3.950 4.196 -0.246 1
1 468 . 11 1 1 A 41 41 GLU C C 41 176.712 178.744 -2.032 1
1 469 . 11 1 1 A 41 41 GLU CA C 41 58.716 58.657 0.059 1
1 470 . 11 1 1 A 41 41 GLU CB C 41 29.124 30.102 -0.978 1
1 472 . 11 1 1 A 41 41 GLU N N 41 121.919 118.686 3.233 1
1 473 . 11 1 1 A 42 42 GLN H H 42 7.634 8.029 -0.395 1
1 474 . 11 1 1 A 42 42 GLN HA H 42 4.052 4.140 -0.088 1
1 481 . 11 1 1 A 42 42 GLN C C 42 176.286 176.386 -0.100 1
1 482 . 11 1 1 A 42 42 GLN CA C 42 56.859 58.392 -1.533 1
1 483 . 11 1 1 A 42 42 GLN CB C 42 28.418 28.415 0.003 1
1 485 . 11 1 1 A 42 42 GLN N N 42 114.515 118.424 -3.909 1
1 487 . 11 1 1 A 43 43 TYR H H 43 6.692 7.367 -0.675 1
1 488 . 11 1 1 A 43 43 TYR HA H 43 4.866 4.563 0.303 1
1 495 . 11 1 1 A 43 43 TYR C C 43 177.063 175.411 1.652 1
1 496 . 11 1 1 A 43 43 TYR CA C 43 58.627 59.138 -0.511 1
1 497 . 11 1 1 A 43 43 TYR CB C 43 39.628 39.355 0.273 1
1 502 . 11 1 1 A 43 43 TYR N N 43 116.167 120.380 -4.213 1
1 503 . 11 1 1 A 44 44 THR H H 44 8.785 8.754 0.031 1
1 504 . 11 1 1 A 44 44 THR HA H 44 4.800 5.300 -0.500 1
1 509 . 11 1 1 A 44 44 THR C C 44 176.061 175.891 0.170 1
1 510 . 11 1 1 A 44 44 THR CA C 44 60.519 59.809 0.710 1
1 511 . 11 1 1 A 44 44 THR CB C 44 71.926 71.814 0.112 1
1 513 . 11 1 1 A 44 44 THR N N 44 116.779 112.463 4.316 1
1 514 . 11 1 1 A 45 45 THR H H 45 8.849 8.780 0.069 1
1 515 . 11 1 1 A 45 45 THR HA H 45 3.626 3.854 -0.228 1
1 520 . 11 1 1 A 45 45 THR C C 45 176.458 176.203 0.255 1
1 521 . 11 1 1 A 45 45 THR CA C 45 65.716 65.770 -0.054 1
1 522 . 11 1 1 A 45 45 THR CB C 45 67.141 68.155 -1.014 1
1 524 . 11 1 1 A 45 45 THR N N 45 112.579 115.154 -2.575 1
1 525 . 11 1 1 A 46 46 ILE H H 46 7.144 7.743 -0.599 1
1 526 . 11 1 1 A 46 46 ILE HA H 46 3.803 3.665 0.138 1
1 536 . 11 1 1 A 46 46 ILE C C 46 177.573 177.919 -0.346 1
1 537 . 11 1 1 A 46 46 ILE CA C 46 64.078 65.357 -1.279 1
1 538 . 11 1 1 A 46 46 ILE CB C 46 38.733 37.563 1.170 1
1 542 . 11 1 1 A 46 46 ILE N N 46 119.409 123.159 -3.750 1
1 543 . 11 1 1 A 47 47 GLN H H 47 7.552 8.015 -0.463 1
1 544 . 11 1 1 A 47 47 GLN HA H 47 4.124 4.036 0.088 1
1 551 . 11 1 1 A 47 47 GLN C C 47 179.640 178.929 0.711 1
1 552 . 11 1 1 A 47 47 GLN CA C 47 59.282 59.181 0.101 1
1 553 . 11 1 1 A 47 47 GLN CB C 47 29.242 28.494 0.748 1
1 555 . 11 1 1 A 47 47 GLN N N 47 119.564 118.464 1.100 1
1 557 . 11 1 1 A 48 48 ILE H H 48 8.520 7.899 0.621 1
1 558 . 11 1 1 A 48 48 ILE HA H 48 3.861 3.747 0.114 1
1 568 . 11 1 1 A 48 48 ILE C C 48 177.779 178.098 -0.319 1
1 569 . 11 1 1 A 48 48 ILE CA C 48 61.208 64.202 -2.994 1
1 570 . 11 1 1 A 48 48 ILE CB C 48 34.654 36.807 -2.153 1
1 574 . 11 1 1 A 48 48 ILE N N 48 118.052 120.529 -2.477 1
1 575 . 11 1 1 A 49 49 ALA H H 49 8.826 8.337 0.489 1
1 576 . 11 1 1 A 49 49 ALA HA H 49 4.071 4.127 -0.056 1
1 580 . 11 1 1 A 49 49 ALA C C 49 179.849 180.085 -0.236 1
1 581 . 11 1 1 A 49 49 ALA CA C 49 55.909 55.643 0.266 1
1 582 . 11 1 1 A 49 49 ALA CB C 49 18.289 18.625 -0.336 1
1 583 . 11 1 1 A 49 49 ALA N N 49 123.182 123.357 -0.175 1
1 584 . 11 1 1 A 50 50 ASN H H 50 8.319 8.232 0.087 1
1 585 . 11 1 1 A 50 50 ASN HA H 50 4.517 4.362 0.155 1
1 590 . 11 1 1 A 50 50 ASN CA C 50 56.309 56.733 -0.424 1
1 591 . 11 1 1 A 50 50 ASN CB C 50 38.198 38.082 0.116 1
1 592 . 11 1 1 A 50 50 ASN N N 50 116.379 117.601 -1.222 1
1 594 . 11 1 1 A 51 51 MET H H 51 8.233 7.921 0.312 1
1 595 . 11 1 1 A 51 51 MET HA H 51 4.132 4.029 0.103 1
1 603 . 11 1 1 A 51 51 MET CA C 51 59.312 58.555 0.757 1
1 604 . 11 1 1 A 51 51 MET CB C 51 34.763 31.978 2.785 1
1 607 . 11 1 1 A 51 51 MET N N 51 119.934 117.946 1.988 1
1 608 . 11 1 1 A 52 52 MET H H 52 8.926 8.207 0.719 1
1 609 . 11 1 1 A 52 52 MET HA H 52 3.874 4.126 -0.252 1
1 617 . 11 1 1 A 52 52 MET C C 52 177.228 178.877 -1.649 1
1 618 . 11 1 1 A 52 52 MET CA C 52 60.218 58.375 1.843 1
1 619 . 11 1 1 A 52 52 MET CB C 52 33.427 33.413 0.014 1
1 622 . 11 1 1 A 52 52 MET N N 52 120.686 118.724 1.962 1
1 623 . 11 1 1 A 53 53 GLU H H 53 8.111 8.416 -0.305 1
1 624 . 11 1 1 A 53 53 GLU HA H 53 3.863 4.000 -0.137 1
1 629 . 11 1 1 A 53 53 GLU C C 53 177.640 179.466 -1.826 1
1 630 . 11 1 1 A 53 53 GLU CA C 53 59.847 59.665 0.182 1
1 631 . 11 1 1 A 53 53 GLU CB C 53 29.778 29.322 0.456 1
1 633 . 11 1 1 A 53 53 GLU N N 53 119.207 118.417 0.790 1
1 634 . 11 1 1 A 54 54 GLU H H 54 7.030 7.878 -0.848 1
1 635 . 11 1 1 A 54 54 GLU HA H 54 4.014 4.059 -0.045 1
1 640 . 11 1 1 A 54 54 GLU C C 54 178.008 178.984 -0.976 1
1 641 . 11 1 1 A 54 54 GLU CA C 54 58.211 59.025 -0.814 1
1 642 . 11 1 1 A 54 54 GLU CB C 54 30.149 29.484 0.665 1
1 644 . 11 1 1 A 54 54 GLU N N 54 115.049 120.002 -4.953 1
1 645 . 11 1 1 A 55 55 LYS H H 55 7.670 7.664 0.006 1
1 646 . 11 1 1 A 55 55 LYS HA H 55 3.930 3.811 0.119 1
1 655 . 11 1 1 A 55 55 LYS C C 55 175.986 176.088 -0.102 1
1 656 . 11 1 1 A 55 55 LYS CA C 55 56.405 58.864 -2.459 1
1 657 . 11 1 1 A 55 55 LYS CB C 55 32.705 31.526 1.179 1
1 661 . 11 1 1 A 55 55 LYS N N 55 117.040 120.099 -3.059 1
1 662 . 11 1 1 A 56 56 PHE H H 56 8.079 8.261 -0.182 1
1 663 . 11 1 1 A 56 56 PHE HA H 56 5.215 5.088 0.127 1
1 671 . 11 1 1 A 56 56 PHE CA C 56 53.965 54.942 -0.977 1
1 672 . 11 1 1 A 56 56 PHE CB C 56 38.759 39.306 -0.547 1
1 678 . 11 1 1 A 56 56 PHE N N 56 117.341 116.681 0.660 1
1 679 . 11 1 1 A 57 57 PRO HA H 57 4.514 4.568 -0.054 1
1 686 . 11 1 1 A 57 57 PRO CA C 57 64.818 64.172 0.646 1
1 687 . 11 1 1 A 57 57 PRO CB C 57 32.192 31.862 0.330 1
1 690 . 11 1 1 A 58 58 ALA H H 58 8.619 8.340 0.279 1
1 691 . 11 1 1 A 58 58 ALA HA H 58 4.206 4.164 0.042 1
1 695 . 11 1 1 A 58 58 ALA CA C 58 55.406 55.151 0.255 1
1 696 . 11 1 1 A 58 58 ALA CB C 58 18.353 19.511 -1.158 1
1 697 . 11 1 1 A 58 58 ALA N N 58 120.173 121.224 -1.051 1
1 698 . 11 1 1 A 59 59 ASP H H 59 7.515 8.079 -0.564 1
1 699 . 11 1 1 A 59 59 ASP HA H 59 4.810 4.629 0.181 1
1 702 . 11 1 1 A 59 59 ASP CA C 59 52.659 53.102 -0.443 1
1 703 . 11 1 1 A 59 59 ASP CB C 59 41.778 40.850 0.928 1
1 704 . 11 1 1 A 59 59 ASP N N 59 113.536 114.278 -0.742 1
1 705 . 11 1 1 A 60 60 SER H H 60 8.392 8.662 -0.270 1
1 706 . 11 1 1 A 60 60 SER HA H 60 4.176 4.591 -0.415 1
1 709 . 11 1 1 A 60 60 SER CA C 60 60.221 59.166 1.055 1
1 710 . 11 1 1 A 60 60 SER CB C 60 62.050 60.791 1.259 1
1 711 . 11 1 1 A 60 60 SER N N 60 113.717 115.335 -1.618 1
1 712 . 11 1 1 A 61 61 GLY H H 61 8.299 8.422 -0.123 1
1 713 . 11 1 1 A 61 61 GLY HA2 H 61 4.005 3.987 0.018 1
1 714 . 11 1 1 A 61 61 GLY HA3 H 61 3.502 4.078 -0.576 1
1 715 . 11 1 1 A 61 61 GLY CA C 61 45.554 45.594 -0.040 1
1 716 . 11 1 1 A 61 61 GLY N N 61 104.225 109.800 -5.575 1
1 717 . 11 1 1 A 62 62 LEU H H 62 7.927 8.093 -0.166 1
1 718 . 11 1 1 A 62 62 LEU HA H 62 3.915 3.991 -0.076 1
1 728 . 11 1 1 A 62 62 LEU CA C 62 58.075 57.789 0.286 1
1 729 . 11 1 1 A 62 62 LEU CB C 62 41.731 41.923 -0.192 1
1 733 . 11 1 1 A 62 62 LEU N N 62 122.094 122.753 -0.659 1
1 734 . 11 1 1 A 63 63 GLY H H 63 8.566 8.172 0.394 1
1 735 . 11 1 1 A 63 63 GLY HA2 H 63 3.847 3.736 0.111 1
1 736 . 11 1 1 A 63 63 GLY HA3 H 63 3.592 3.762 -0.170 1
1 737 . 11 1 1 A 63 63 GLY CA C 63 47.146 47.112 0.034 1
1 738 . 11 1 1 A 63 63 GLY N N 63 105.732 106.206 -0.474 1
1 739 . 11 1 1 A 64 64 LYS H H 64 7.509 8.187 -0.678 1
1 740 . 11 1 1 A 64 64 LYS HA H 64 4.115 3.990 0.125 1
1 749 . 11 1 1 A 64 64 LYS C C 64 179.856 178.910 0.946 1
1 750 . 11 1 1 A 64 64 LYS CA C 64 57.768 59.223 -1.455 1
1 751 . 11 1 1 A 64 64 LYS CB C 64 31.542 31.927 -0.385 1
1 755 . 11 1 1 A 64 64 LYS N N 64 120.697 121.670 -0.973 1
1 756 . 11 1 1 A 65 65 LEU H H 65 7.544 8.020 -0.476 1
1 757 . 11 1 1 A 65 65 LEU HA H 65 4.219 4.014 0.205 1
1 767 . 11 1 1 A 65 65 LEU C C 65 178.606 178.341 0.265 1
1 768 . 11 1 1 A 65 65 LEU CA C 65 57.675 58.200 -0.525 1
1 769 . 11 1 1 A 65 65 LEU CB C 65 41.040 41.855 -0.815 1
1 773 . 11 1 1 A 65 65 LEU N N 65 120.399 120.774 -0.375 1
1 774 . 11 1 1 A 66 66 ILE H H 66 8.605 7.924 0.681 1
1 775 . 11 1 1 A 66 66 ILE HA H 66 3.271 3.647 -0.376 1
1 785 . 11 1 1 A 66 66 ILE C C 66 176.721 177.893 -1.172 1
1 786 . 11 1 1 A 66 66 ILE CA C 66 67.612 65.377 2.235 1
1 787 . 11 1 1 A 66 66 ILE CB C 66 38.006 37.621 0.385 1
1 791 . 11 1 1 A 66 66 ILE N N 66 121.170 119.850 1.320 1
1 792 . 11 1 1 A 67 67 GLU H H 67 8.157 8.122 0.035 1
1 793 . 11 1 1 A 67 67 GLU HA H 67 4.007 3.981 0.026 1
1 798 . 11 1 1 A 67 67 GLU C C 67 178.848 179.225 -0.377 1
1 799 . 11 1 1 A 67 67 GLU CA C 67 59.476 59.598 -0.122 1
1 800 . 11 1 1 A 67 67 GLU CB C 67 30.055 29.490 0.565 1
1 802 . 11 1 1 A 67 67 GLU N N 67 118.066 119.282 -1.216 1
1 803 . 11 1 1 A 68 68 PHE H H 68 7.673 8.037 -0.364 1
1 804 . 11 1 1 A 68 68 PHE HA H 68 4.393 4.054 0.339 1
1 812 . 11 1 1 A 68 68 PHE C C 68 176.609 177.730 -1.121 1
1 813 . 11 1 1 A 68 68 PHE CA C 68 60.660 61.726 -1.066 1
1 814 . 11 1 1 A 68 68 PHE CB C 68 39.666 39.489 0.177 1
1 820 . 11 1 1 A 68 68 PHE N N 68 119.383 120.651 -1.268 1
1 821 . 11 1 1 A 69 69 CYS H H 69 8.137 7.944 0.193 1
1 822 . 11 1 1 A 69 69 CYS HA H 69 3.714 3.631 0.083 1
1 825 . 11 1 1 A 69 69 CYS C C 69 175.221 177.122 -1.901 1
1 826 . 11 1 1 A 69 69 CYS CA C 69 62.782 63.619 -0.837 1
1 827 . 11 1 1 A 69 69 CYS CB C 69 26.732 27.003 -0.271 1
1 828 . 11 1 1 A 69 69 CYS N N 69 115.218 116.406 -1.188 1
1 829 . 11 1 1 A 70 70 GLU H H 70 8.108 7.956 0.152 1
1 830 . 11 1 1 A 70 70 GLU HA H 70 3.739 3.940 -0.201 1
1 835 . 11 1 1 A 70 70 GLU C C 70 178.404 179.301 -0.897 1
1 836 . 11 1 1 A 70 70 GLU CA C 70 58.839 59.547 -0.708 1
1 837 . 11 1 1 A 70 70 GLU CB C 70 30.149 29.146 1.003 1
1 839 . 11 1 1 A 70 70 GLU N N 70 113.937 120.367 -6.430 1
1 840 . 11 1 1 A 71 71 GLU H H 71 7.306 7.668 -0.362 1
1 841 . 11 1 1 A 71 71 GLU HA H 71 4.148 4.035 0.113 1
1 846 . 11 1 1 A 71 71 GLU C C 71 176.363 177.526 -1.163 1
1 847 . 11 1 1 A 71 71 GLU CA C 71 56.943 59.073 -2.130 1
1 848 . 11 1 1 A 71 71 GLU CB C 71 30.374 29.442 0.932 1
1 850 . 11 1 1 A 71 71 GLU N N 71 117.591 120.274 -2.683 1
1 851 . 11 1 1 A 72 72 VAL H H 72 7.055 7.387 -0.332 1
1 852 . 11 1 1 A 72 72 VAL HA H 72 4.220 4.072 0.148 1
1 860 . 11 1 1 A 72 72 VAL C C 72 174.906 175.616 -0.710 1
1 861 . 11 1 1 A 72 72 VAL CA C 72 59.360 59.849 -0.489 1
1 862 . 11 1 1 A 72 72 VAL CB C 72 33.462 31.596 1.866 1
1 865 . 11 1 1 A 72 72 VAL N N 72 122.531 120.448 2.083 1
1 866 . 11 1 1 A 73 73 PRO HA H 73 3.887 4.462 -0.575 1
1 873 . 11 1 1 A 73 73 PRO C C 73 179.162 176.645 2.517 1
1 874 . 11 1 1 A 73 73 PRO CA C 73 66.658 64.087 2.571 1
1 875 . 11 1 1 A 73 73 PRO CB C 73 31.819 31.608 0.211 1
1 878 . 11 1 1 A 74 74 ALA H H 74 8.188 8.199 -0.011 1
1 879 . 11 1 1 A 74 74 ALA HA H 74 4.217 4.433 -0.216 1
1 883 . 11 1 1 A 74 74 ALA C C 74 178.535 177.922 0.613 1
1 884 . 11 1 1 A 74 74 ALA CA C 74 54.149 52.438 1.711 1
1 885 . 11 1 1 A 74 74 ALA CB C 74 19.305 19.730 -0.425 1
1 886 . 11 1 1 A 74 74 ALA N N 74 116.317 121.123 -4.806 1
1 887 . 11 1 1 A 75 75 LEU H H 75 8.188 7.536 0.652 1
1 888 . 11 1 1 A 75 75 LEU HA H 75 4.607 4.294 0.313 1
1 898 . 11 1 1 A 75 75 LEU C C 75 177.094 177.660 -0.566 1
1 899 . 11 1 1 A 75 75 LEU CA C 75 53.645 54.636 -0.991 1
1 900 . 11 1 1 A 75 75 LEU CB C 75 42.633 43.019 -0.386 1
1 904 . 11 1 1 A 75 75 LEU N N 75 116.296 116.424 -0.128 1
1 905 . 11 1 1 A 76 76 ARG H H 76 7.332 7.738 -0.406 1
1 906 . 11 1 1 A 76 76 ARG HA H 76 3.789 3.791 -0.002 1
1 913 . 11 1 1 A 76 76 ARG C C 76 179.457 178.838 0.619 1
1 914 . 11 1 1 A 76 76 ARG CA C 76 60.815 60.201 0.614 1
1 915 . 11 1 1 A 76 76 ARG CB C 76 29.535 29.907 -0.372 1
1 918 . 11 1 1 A 76 76 ARG N N 76 122.654 120.373 2.281 1
1 919 . 11 1 1 A 77 77 LYS H H 77 8.489 8.130 0.359 1
1 920 . 11 1 1 A 77 77 LYS HA H 77 4.118 3.958 0.160 1
1 929 . 11 1 1 A 77 77 LYS C C 77 179.135 178.786 0.349 1
1 930 . 11 1 1 A 77 77 LYS CA C 77 58.963 59.516 -0.553 1
1 931 . 11 1 1 A 77 77 LYS CB C 77 31.113 32.297 -1.184 1
1 935 . 11 1 1 A 77 77 LYS N N 77 119.343 119.838 -0.495 1
1 936 . 11 1 1 A 78 78 ARG H H 78 7.626 7.996 -0.370 1
1 937 . 11 1 1 A 78 78 ARG HA H 78 3.931 4.036 -0.105 1
1 944 . 11 1 1 A 78 78 ARG C C 78 178.200 178.982 -0.782 1
1 945 . 11 1 1 A 78 78 ARG CA C 78 56.415 59.156 -2.741 1
1 946 . 11 1 1 A 78 78 ARG CB C 78 27.010 30.403 -3.393 1
1 949 . 11 1 1 A 78 78 ARG N N 78 120.202 119.549 0.653 1
1 950 . 11 1 1 A 79 79 ALA H H 79 8.138 8.033 0.105 1
1 951 . 11 1 1 A 79 79 ALA HA H 79 3.837 4.033 -0.196 1
1 955 . 11 1 1 A 79 79 ALA C C 79 178.684 179.840 -1.156 1
1 956 . 11 1 1 A 79 79 ALA CA C 79 55.692 55.527 0.165 1
1 957 . 11 1 1 A 79 79 ALA CB C 79 18.376 18.701 -0.325 1
1 958 . 11 1 1 A 79 79 ALA N N 79 120.388 122.072 -1.684 1
1 959 . 11 1 1 A 80 80 GLU H H 80 7.437 7.968 -0.531 1
1 960 . 11 1 1 A 80 80 GLU HA H 80 3.877 4.074 -0.197 1
1 965 . 11 1 1 A 80 80 GLU C C 80 179.640 178.899 0.741 1
1 966 . 11 1 1 A 80 80 GLU CA C 80 59.370 59.181 0.189 1
1 967 . 11 1 1 A 80 80 GLU CB C 80 29.445 29.432 0.013 1
1 969 . 11 1 1 A 80 80 GLU N N 80 115.384 116.528 -1.144 1
1 970 . 11 1 1 A 81 81 ILE H H 81 7.721 7.996 -0.275 1
1 971 . 11 1 1 A 81 81 ILE HA H 81 3.675 3.580 0.095 1
1 981 . 11 1 1 A 81 81 ILE C C 81 178.179 178.441 -0.262 1
1 982 . 11 1 1 A 81 81 ILE CA C 81 65.187 65.873 -0.686 1
1 983 . 11 1 1 A 81 81 ILE CB C 81 38.471 37.992 0.479 1
1 987 . 11 1 1 A 81 81 ILE N N 81 121.563 121.489 0.074 1
1 988 . 11 1 1 A 82 82 LEU H H 82 8.374 8.585 -0.211 1
1 989 . 11 1 1 A 82 82 LEU HA H 82 3.930 3.848 0.082 1
1 999 . 11 1 1 A 82 82 LEU C C 82 179.279 179.110 0.169 1
1 1000 . 11 1 1 A 82 82 LEU CA C 82 58.038 58.217 -0.179 1
1 1001 . 11 1 1 A 82 82 LEU CB C 82 42.869 41.486 1.383 1
1 1005 . 11 1 1 A 82 82 LEU N N 82 119.839 120.047 -0.208 1
1 1006 . 11 1 1 A 83 83 LYS H H 83 8.153 8.197 -0.044 1
1 1007 . 11 1 1 A 83 83 LYS HA H 83 3.740 3.886 -0.146 1
1 1016 . 11 1 1 A 83 83 LYS C C 83 179.548 179.222 0.326 1
1 1017 . 11 1 1 A 83 83 LYS CA C 83 60.433 59.909 0.524 1
1 1018 . 11 1 1 A 83 83 LYS CB C 83 32.703 32.026 0.677 1
1 1022 . 11 1 1 A 83 83 LYS N N 83 117.092 117.357 -0.265 1
1 1023 . 11 1 1 A 84 84 LYS H H 84 7.705 7.678 0.027 1
1 1024 . 11 1 1 A 84 84 LYS HA H 84 4.101 3.971 0.130 1
1 1033 . 11 1 1 A 84 84 LYS C C 84 179.082 178.619 0.463 1
1 1034 . 11 1 1 A 84 84 LYS CA C 84 59.120 59.275 -0.155 1
1 1035 . 11 1 1 A 84 84 LYS CB C 84 32.291 32.080 0.211 1
1 1039 . 11 1 1 A 84 84 LYS N N 84 121.473 119.826 1.647 1
1 1040 . 11 1 1 A 85 85 GLU H H 85 8.567 7.961 0.606 1
1 1041 . 11 1 1 A 85 85 GLU HA H 85 4.013 4.165 -0.152 1
1 1046 . 11 1 1 A 85 85 GLU CA C 85 59.360 58.675 0.685 1
1 1047 . 11 1 1 A 85 85 GLU CB C 85 30.033 29.982 0.051 1
1 1049 . 11 1 1 A 85 85 GLU N N 85 119.645 119.283 0.362 1
1 1050 . 11 1 1 A 86 86 ARG H H 86 8.467 8.523 -0.056 1
1 1051 . 11 1 1 A 86 86 ARG HA H 86 4.030 4.044 -0.014 1
1 1058 . 11 1 1 A 86 86 ARG C C 86 177.790 176.453 1.337 1
1 1059 . 11 1 1 A 86 86 ARG CA C 86 58.556 59.199 -0.643 1
1 1060 . 11 1 1 A 86 86 ARG CB C 86 30.377 29.914 0.463 1
1 1063 . 11 1 1 A 86 86 ARG N N 86 119.408 121.578 -2.170 1
1 1064 . 11 1 1 A 87 87 SER H H 87 7.851 7.957 -0.106 1
1 1065 . 11 1 1 A 87 87 SER HA H 87 4.369 4.536 -0.167 1
1 1068 . 11 1 1 A 87 87 SER C C 87 175.282 173.891 1.391 1
1 1069 . 11 1 1 A 87 87 SER CA C 87 60.271 59.242 1.029 1
1 1070 . 11 1 1 A 87 87 SER CB C 87 63.601 62.865 0.736 1
1 1071 . 11 1 1 A 87 87 SER N N 87 115.071 113.348 1.723 1
1 1072 . 11 1 1 A 88 88 GLU H H 88 7.891 8.997 -1.106 1
1 1073 . 11 1 1 A 88 88 GLU HA H 88 4.316 4.668 -0.352 1
1 1078 . 11 1 1 A 88 88 GLU C C 88 176.801 177.522 -0.721 1
1 1079 . 11 1 1 A 88 88 GLU CA C 88 57.036 56.492 0.544 1
1 1080 . 11 1 1 A 88 88 GLU CB C 88 30.024 31.493 -1.469 1
1 1082 . 11 1 1 A 88 88 GLU N N 88 121.067 126.503 -5.436 1
1 1083 . 11 1 1 A 89 89 SER H H 89 7.934 7.989 -0.055 1
1 1084 . 11 1 1 A 89 89 SER HA H 89 4.503 4.710 -0.207 1
1 1087 . 11 1 1 A 89 89 SER C C 89 174.624 174.189 0.435 1
1 1088 . 11 1 1 A 89 89 SER CA C 89 58.875 57.678 1.197 1
1 1089 . 11 1 1 A 89 89 SER CB C 89 64.040 64.755 -0.715 1
1 1090 . 11 1 1 A 89 89 SER N N 89 115.241 110.655 4.586 1
1 1091 . 11 1 1 A 90 90 GLY H H 90 8.062 8.104 -0.042 1
1 1092 . 11 1 1 A 90 90 GLY HA2 H 90 4.210 4.135 0.075 1
1 1093 . 11 1 1 A 90 90 GLY HA3 H 90 4.083 4.135 -0.052 1
1 1094 . 11 1 1 A 90 90 GLY C C 90 171.774 172.340 -0.566 1
1 1095 . 11 1 1 A 90 90 GLY CA C 90 44.872 44.149 0.723 1
1 1096 . 11 1 1 A 90 90 GLY N N 90 110.384 111.110 -0.726 1
1 1097 . 11 1 1 A 91 91 PRO HA H 91 4.495 4.683 -0.188 1
1 1104 . 11 1 1 A 91 91 PRO C C 91 177.475 176.717 0.758 1
1 1105 . 11 1 1 A 91 91 PRO CA C 91 63.295 62.727 0.568 1
1 1106 . 11 1 1 A 91 91 PRO CB C 91 32.234 32.145 0.089 1
1 1109 . 11 1 1 A 92 92 SER H H 92 8.557 8.335 0.222 1
1 1110 . 11 1 1 A 92 92 SER HA H 92 4.575 4.547 0.028 1
1 1113 . 11 1 1 A 92 92 SER C C 92 174.736 176.121 -1.385 1
1 1114 . 11 1 1 A 92 92 SER CA C 92 58.380 58.530 -0.150 1
1 1115 . 11 1 1 A 92 92 SER CB C 92 64.221 64.450 -0.229 1
1 1 . 12 1 1 A 6 6 SER H H 6 8.063 9.088 -1.025 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.493 4.466 0.027 1
1 5 . 12 1 1 A 6 6 SER CA C 6 59.071 59.554 -0.483 1
1 6 . 12 1 1 A 6 6 SER CB C 6 63.626 64.896 -1.270 1
1 7 . 12 1 1 A 7 7 GLY H H 7 8.424 8.144 0.280 1
1 8 . 12 1 1 A 7 7 GLY HA2 H 7 3.985 3.999 -0.014 1
1 9 . 12 1 1 A 7 7 GLY HA3 H 7 3.834 4.000 -0.166 1
1 10 . 12 1 1 A 7 7 GLY CA C 7 47.092 45.568 1.524 1
1 11 . 12 1 1 A 7 7 GLY N N 7 109.548 108.939 0.609 1
1 12 . 12 1 1 A 8 8 ILE H H 8 7.565 7.647 -0.082 1
1 13 . 12 1 1 A 8 8 ILE HA H 8 3.883 4.026 -0.143 1
1 23 . 12 1 1 A 8 8 ILE CA C 8 63.805 62.395 1.410 1
1 24 . 12 1 1 A 8 8 ILE CB C 8 37.866 38.101 -0.235 1
1 28 . 12 1 1 A 8 8 ILE N N 8 123.348 121.905 1.443 1
1 29 . 12 1 1 A 9 9 VAL H H 9 7.538 8.349 -0.811 1
1 30 . 12 1 1 A 9 9 VAL HA H 9 3.471 4.601 -1.130 1
1 38 . 12 1 1 A 9 9 VAL CA C 9 66.382 60.514 5.868 1
1 39 . 12 1 1 A 9 9 VAL CB C 9 31.755 34.281 -2.526 1
1 42 . 12 1 1 A 9 9 VAL N N 9 121.471 124.010 -2.539 1
1 43 . 12 1 1 A 10 10 LEU H H 10 7.941 8.921 -0.980 1
1 44 . 12 1 1 A 10 10 LEU HA H 10 3.848 3.976 -0.128 1
1 54 . 12 1 1 A 10 10 LEU CA C 10 58.619 57.992 0.627 1
1 55 . 12 1 1 A 10 10 LEU CB C 10 41.377 41.362 0.015 1
1 59 . 12 1 1 A 10 10 LEU N N 10 119.521 128.766 -9.245 1
1 60 . 12 1 1 A 11 11 LEU H H 11 8.207 8.264 -0.057 1
1 61 . 12 1 1 A 11 11 LEU HA H 11 3.792 4.019 -0.227 1
1 71 . 12 1 1 A 11 11 LEU CA C 11 58.241 58.318 -0.077 1
1 72 . 12 1 1 A 11 11 LEU CB C 11 41.790 41.576 0.214 1
1 76 . 12 1 1 A 11 11 LEU N N 11 119.938 120.252 -0.314 1
1 77 . 12 1 1 A 12 12 ARG H H 12 7.904 8.662 -0.758 1
1 78 . 12 1 1 A 12 12 ARG HA H 12 3.966 4.090 -0.124 1
1 85 . 12 1 1 A 12 12 ARG CA C 12 59.301 58.298 1.003 1
1 86 . 12 1 1 A 12 12 ARG CB C 12 30.132 29.595 0.537 1
1 89 . 12 1 1 A 12 12 ARG N N 12 116.799 117.203 -0.404 1
1 90 . 12 1 1 A 13 13 GLY H H 13 8.190 8.452 -0.262 1
1 91 . 12 1 1 A 13 13 GLY HA2 H 13 3.740 3.763 -0.023 1
1 92 . 12 1 1 A 13 13 GLY HA3 H 13 3.437 3.776 -0.339 1
1 93 . 12 1 1 A 13 13 GLY CA C 13 47.988 47.184 0.804 1
1 94 . 12 1 1 A 13 13 GLY N N 13 107.618 109.262 -1.644 1
1 95 . 12 1 1 A 14 14 LEU H H 14 8.515 8.377 0.138 1
1 96 . 12 1 1 A 14 14 LEU HA H 14 3.785 3.926 -0.141 1
1 106 . 12 1 1 A 14 14 LEU C C 14 178.232 178.539 -0.307 1
1 107 . 12 1 1 A 14 14 LEU CA C 14 57.401 57.987 -0.586 1
1 108 . 12 1 1 A 14 14 LEU CB C 14 41.981 41.474 0.507 1
1 112 . 12 1 1 A 14 14 LEU N N 14 120.161 122.777 -2.616 1
1 113 . 12 1 1 A 15 15 GLU H H 15 7.931 8.331 -0.400 1
1 114 . 12 1 1 A 15 15 GLU HA H 15 4.030 3.903 0.127 1
1 119 . 12 1 1 A 15 15 GLU CA C 15 57.961 59.140 -1.179 1
1 120 . 12 1 1 A 15 15 GLU CB C 15 30.140 29.574 0.566 1
1 122 . 12 1 1 A 15 15 GLU N N 15 114.703 118.026 -3.323 1
1 123 . 12 1 1 A 16 16 CYS H H 16 7.612 7.730 -0.118 1
1 124 . 12 1 1 A 16 16 CYS HA H 16 4.457 4.151 0.306 1
1 127 . 12 1 1 A 16 16 CYS CA C 16 60.982 62.278 -1.296 1
1 128 . 12 1 1 A 16 16 CYS CB C 16 27.917 27.020 0.897 1
1 129 . 12 1 1 A 16 16 CYS N N 16 114.695 118.635 -3.940 1
1 130 . 12 1 1 A 17 17 ILE H H 17 7.142 7.315 -0.173 1
1 131 . 12 1 1 A 17 17 ILE HA H 17 4.533 4.342 0.191 1
1 141 . 12 1 1 A 17 17 ILE CA C 17 61.521 60.874 0.647 1
1 142 . 12 1 1 A 17 17 ILE CB C 17 39.206 39.075 0.131 1
1 146 . 12 1 1 A 17 17 ILE N N 17 115.031 116.385 -1.354 1
1 147 . 12 1 1 A 18 18 ASN H H 18 8.325 8.793 -0.468 1
1 148 . 12 1 1 A 18 18 ASN HA H 18 4.575 4.828 -0.253 1
1 153 . 12 1 1 A 18 18 ASN C C 18 175.171 177.208 -2.037 1
1 154 . 12 1 1 A 18 18 ASN CA C 18 53.278 53.449 -0.171 1
1 155 . 12 1 1 A 18 18 ASN CB C 18 38.419 39.641 -1.222 1
1 156 . 12 1 1 A 18 18 ASN N N 18 119.943 122.610 -2.667 1
1 158 . 12 1 1 A 19 19 LYS H H 19 8.514 8.931 -0.417 1
1 159 . 12 1 1 A 19 19 LYS HA H 19 4.242 4.245 -0.003 1
1 168 . 12 1 1 A 19 19 LYS C C 19 178.868 178.890 -0.022 1
1 169 . 12 1 1 A 19 19 LYS CA C 19 60.006 59.088 0.918 1
1 170 . 12 1 1 A 19 19 LYS CB C 19 32.291 32.216 0.075 1
1 174 . 12 1 1 A 19 19 LYS N N 19 118.191 122.849 -4.658 1
1 175 . 12 1 1 A 20 20 HIS H H 20 8.328 8.339 -0.011 1
1 176 . 12 1 1 A 20 20 HIS HA H 20 4.371 4.347 0.024 1
1 181 . 12 1 1 A 20 20 HIS C C 20 178.335 176.640 1.695 1
1 182 . 12 1 1 A 20 20 HIS CA C 20 59.785 59.352 0.433 1
1 183 . 12 1 1 A 20 20 HIS CB C 20 29.879 30.594 -0.715 1
1 186 . 12 1 1 A 20 20 HIS N N 20 120.900 120.570 0.330 1
1 187 . 12 1 1 A 21 21 TYR H H 21 8.464 8.277 0.187 1
1 188 . 12 1 1 A 21 21 TYR HA H 21 4.540 4.204 0.336 1
1 195 . 12 1 1 A 21 21 TYR C C 21 178.222 178.610 -0.388 1
1 196 . 12 1 1 A 21 21 TYR CA C 21 61.863 61.564 0.299 1
1 197 . 12 1 1 A 21 21 TYR CB C 21 38.012 38.372 -0.360 1
1 202 . 12 1 1 A 21 21 TYR N N 21 118.132 117.147 0.985 1
1 203 . 12 1 1 A 22 22 PHE H H 22 9.095 8.508 0.587 1
1 204 . 12 1 1 A 22 22 PHE HA H 22 4.616 4.170 0.446 1
1 212 . 12 1 1 A 22 22 PHE C C 22 177.409 177.124 0.285 1
1 213 . 12 1 1 A 22 22 PHE CA C 22 59.761 61.692 -1.931 1
1 214 . 12 1 1 A 22 22 PHE CB C 22 38.982 39.075 -0.093 1
1 220 . 12 1 1 A 22 22 PHE N N 22 121.771 120.904 0.867 1
1 221 . 12 1 1 A 23 23 SER H H 23 8.400 8.298 0.102 1
1 222 . 12 1 1 A 23 23 SER HA H 23 3.785 3.805 -0.020 1
1 225 . 12 1 1 A 23 23 SER C C 23 177.318 177.210 0.108 1
1 226 . 12 1 1 A 23 23 SER CA C 23 62.453 61.560 0.893 1
1 227 . 12 1 1 A 23 23 SER CB C 23 62.279 62.909 -0.630 1
1 228 . 12 1 1 A 23 23 SER N N 23 115.511 113.831 1.680 1
1 229 . 12 1 1 A 24 24 LEU H H 24 7.737 8.070 -0.333 1
1 230 . 12 1 1 A 24 24 LEU HA H 24 4.118 3.888 0.230 1
1 240 . 12 1 1 A 24 24 LEU C C 24 178.956 178.707 0.249 1
1 241 . 12 1 1 A 24 24 LEU CA C 24 57.992 57.886 0.106 1
1 242 . 12 1 1 A 24 24 LEU CB C 24 42.066 42.325 -0.259 1
1 246 . 12 1 1 A 24 24 LEU N N 24 123.378 122.019 1.359 1
1 247 . 12 1 1 A 25 25 PHE H H 25 8.643 7.641 1.002 1
1 248 . 12 1 1 A 25 25 PHE HA H 25 3.475 3.461 0.014 1
1 256 . 12 1 1 A 25 25 PHE C C 25 176.905 176.685 0.220 1
1 257 . 12 1 1 A 25 25 PHE CA C 25 61.196 61.479 -0.283 1
1 258 . 12 1 1 A 25 25 PHE CB C 25 38.741 38.653 0.088 1
1 264 . 12 1 1 A 25 25 PHE N N 25 122.640 118.634 4.006 1
1 265 . 12 1 1 A 26 26 LYS H H 26 8.022 7.729 0.293 1
1 266 . 12 1 1 A 26 26 LYS HA H 26 3.197 3.670 -0.473 1
1 275 . 12 1 1 A 26 26 LYS C C 26 177.424 179.134 -1.710 1
1 276 . 12 1 1 A 26 26 LYS CA C 26 61.439 59.387 2.052 1
1 277 . 12 1 1 A 26 26 LYS CB C 26 32.363 31.851 0.512 1
1 281 . 12 1 1 A 26 26 LYS N N 26 116.023 117.476 -1.453 1
1 282 . 12 1 1 A 27 27 SER H H 27 7.473 8.078 -0.605 1
1 283 . 12 1 1 A 27 27 SER HA H 27 4.134 4.101 0.033 1
1 286 . 12 1 1 A 27 27 SER C C 27 177.449 176.898 0.551 1
1 287 . 12 1 1 A 27 27 SER CA C 27 61.544 62.413 -0.869 1
1 288 . 12 1 1 A 27 27 SER CB C 27 62.828 62.723 0.105 1
1 289 . 12 1 1 A 27 27 SER N N 27 111.668 116.366 -4.698 1
1 290 . 12 1 1 A 28 28 LEU H H 28 7.625 7.722 -0.097 1
1 291 . 12 1 1 A 28 28 LEU HA H 28 4.117 4.027 0.090 1
1 301 . 12 1 1 A 28 28 LEU C C 28 179.076 177.994 1.082 1
1 302 . 12 1 1 A 28 28 LEU CA C 28 57.336 57.290 0.046 1
1 303 . 12 1 1 A 28 28 LEU CB C 28 41.585 41.507 0.078 1
1 307 . 12 1 1 A 28 28 LEU N N 28 123.121 120.369 2.752 1
1 308 . 12 1 1 A 29 29 LEU H H 29 7.391 7.439 -0.048 1
1 309 . 12 1 1 A 29 29 LEU HA H 29 4.276 4.237 0.039 1
1 319 . 12 1 1 A 29 29 LEU C C 29 177.606 177.850 -0.244 1
1 320 . 12 1 1 A 29 29 LEU CA C 29 54.243 55.235 -0.992 1
1 321 . 12 1 1 A 29 29 LEU CB C 29 41.665 42.209 -0.544 1
1 325 . 12 1 1 A 29 29 LEU N N 29 119.910 118.068 1.842 1
1 326 . 12 1 1 A 30 30 ALA H H 30 7.242 7.921 -0.679 1
1 327 . 12 1 1 A 30 30 ALA HA H 30 3.505 3.870 -0.365 1
1 331 . 12 1 1 A 30 30 ALA C C 30 179.568 179.381 0.187 1
1 332 . 12 1 1 A 30 30 ALA CA C 30 56.470 55.427 1.043 1
1 333 . 12 1 1 A 30 30 ALA CB C 30 18.818 18.478 0.340 1
1 334 . 12 1 1 A 30 30 ALA N N 30 122.470 122.473 -0.003 1
1 335 . 12 1 1 A 31 31 ARG H H 31 8.256 7.777 0.479 1
1 336 . 12 1 1 A 31 31 ARG HA H 31 4.142 4.076 0.066 1
1 343 . 12 1 1 A 31 31 ARG C C 31 179.303 178.613 0.690 1
1 344 . 12 1 1 A 31 31 ARG CA C 31 58.917 58.974 -0.057 1
1 345 . 12 1 1 A 31 31 ARG CB C 31 29.407 29.933 -0.526 1
1 348 . 12 1 1 A 31 31 ARG N N 31 116.240 117.010 -0.770 1
1 349 . 12 1 1 A 32 32 ASP H H 32 8.205 8.145 0.060 1
1 350 . 12 1 1 A 32 32 ASP HA H 32 4.334 4.406 -0.072 1
1 353 . 12 1 1 A 32 32 ASP C C 32 177.470 178.285 -0.815 1
1 354 . 12 1 1 A 32 32 ASP CA C 32 57.336 56.999 0.337 1
1 355 . 12 1 1 A 32 32 ASP CB C 32 41.582 40.891 0.691 1
1 356 . 12 1 1 A 32 32 ASP N N 32 120.398 120.138 0.260 1
1 357 . 12 1 1 A 33 33 LEU H H 33 7.933 8.136 -0.203 1
1 358 . 12 1 1 A 33 33 LEU HA H 33 4.206 4.100 0.106 1
1 368 . 12 1 1 A 33 33 LEU C C 33 175.261 176.526 -1.265 1
1 369 . 12 1 1 A 33 33 LEU CA C 33 53.700 55.754 -2.054 1
1 370 . 12 1 1 A 33 33 LEU CB C 33 41.306 42.016 -0.710 1
1 374 . 12 1 1 A 33 33 LEU N N 33 113.338 118.220 -4.882 1
1 375 . 12 1 1 A 34 34 ASN H H 34 7.688 7.894 -0.206 1
1 376 . 12 1 1 A 34 34 ASN HA H 34 4.307 4.642 -0.335 1
1 381 . 12 1 1 A 34 34 ASN C C 34 175.092 174.282 0.810 1
1 382 . 12 1 1 A 34 34 ASN CA C 34 53.960 54.294 -0.334 1
1 383 . 12 1 1 A 34 34 ASN CB C 34 37.073 37.112 -0.039 1
1 384 . 12 1 1 A 34 34 ASN N N 34 116.912 117.577 -0.665 1
1 386 . 12 1 1 A 35 35 LEU H H 35 8.177 7.668 0.509 1
1 387 . 12 1 1 A 35 35 LEU HA H 35 4.008 4.402 -0.394 1
1 397 . 12 1 1 A 35 35 LEU C C 35 177.637 176.736 0.901 1
1 398 . 12 1 1 A 35 35 LEU CA C 35 54.233 54.948 -0.715 1
1 399 . 12 1 1 A 35 35 LEU CB C 35 41.024 42.314 -1.290 1
1 403 . 12 1 1 A 35 35 LEU N N 35 115.363 120.385 -5.022 1
1 404 . 12 1 1 A 36 36 GLU H H 36 8.419 9.159 -0.740 1
1 405 . 12 1 1 A 36 36 GLU HA H 36 4.175 4.519 -0.344 1
1 410 . 12 1 1 A 36 36 GLU C C 36 177.626 176.399 1.227 1
1 411 . 12 1 1 A 36 36 GLU CA C 36 56.872 55.751 1.121 1
1 412 . 12 1 1 A 36 36 GLU CB C 36 29.675 29.308 0.367 1
1 414 . 12 1 1 A 36 36 GLU N N 36 122.591 120.725 1.866 1
1 415 . 12 1 1 A 37 37 ARG H H 37 8.577 8.557 0.020 1
1 416 . 12 1 1 A 37 37 ARG HA H 37 3.889 3.993 -0.104 1
1 423 . 12 1 1 A 37 37 ARG C C 37 178.119 177.797 0.322 1
1 424 . 12 1 1 A 37 37 ARG CA C 37 58.924 59.387 -0.463 1
1 425 . 12 1 1 A 37 37 ARG CB C 37 30.074 29.890 0.184 1
1 428 . 12 1 1 A 37 37 ARG N N 37 124.790 126.170 -1.380 1
1 429 . 12 1 1 A 38 38 ASP H H 38 8.623 7.825 0.798 1
1 430 . 12 1 1 A 38 38 ASP HA H 38 4.591 4.602 -0.011 1
1 433 . 12 1 1 A 38 38 ASP C C 38 176.021 177.462 -1.441 1
1 434 . 12 1 1 A 38 38 ASP CA C 38 55.073 56.208 -1.135 1
1 435 . 12 1 1 A 38 38 ASP CB C 38 40.722 41.550 -0.828 1
1 436 . 12 1 1 A 38 38 ASP N N 38 116.313 118.776 -2.463 1
1 437 . 12 1 1 A 39 39 ASN H H 39 7.668 8.045 -0.377 1
1 438 . 12 1 1 A 39 39 ASN HA H 39 4.936 4.674 0.262 1
1 443 . 12 1 1 A 39 39 ASN C C 39 175.702 175.842 -0.140 1
1 444 . 12 1 1 A 39 39 ASN CA C 39 52.626 51.845 0.781 1
1 445 . 12 1 1 A 39 39 ASN CB C 39 38.966 36.398 2.568 1
1 446 . 12 1 1 A 39 39 ASN N N 39 116.330 116.210 0.120 1
1 448 . 12 1 1 A 40 40 GLN H H 40 8.324 7.957 0.367 1
1 449 . 12 1 1 A 40 40 GLN HA H 40 4.285 4.393 -0.108 1
1 456 . 12 1 1 A 40 40 GLN C C 40 178.897 177.889 1.008 1
1 457 . 12 1 1 A 40 40 GLN CA C 40 58.513 57.260 1.253 1
1 458 . 12 1 1 A 40 40 GLN CB C 40 29.225 28.707 0.518 1
1 460 . 12 1 1 A 40 40 GLN N N 40 119.556 123.155 -3.599 1
1 462 . 12 1 1 A 41 41 GLU H H 41 8.956 8.303 0.653 1
1 463 . 12 1 1 A 41 41 GLU HA H 41 3.950 4.102 -0.152 1
1 468 . 12 1 1 A 41 41 GLU C C 41 176.712 178.515 -1.803 1
1 469 . 12 1 1 A 41 41 GLU CA C 41 58.716 59.474 -0.758 1
1 470 . 12 1 1 A 41 41 GLU CB C 41 29.124 29.211 -0.087 1
1 472 . 12 1 1 A 41 41 GLU N N 41 121.919 118.627 3.292 1
1 473 . 12 1 1 A 42 42 GLN H H 42 7.634 8.115 -0.481 1
1 474 . 12 1 1 A 42 42 GLN HA H 42 4.052 4.135 -0.083 1
1 481 . 12 1 1 A 42 42 GLN C C 42 176.286 176.103 0.183 1
1 482 . 12 1 1 A 42 42 GLN CA C 42 56.859 58.021 -1.162 1
1 483 . 12 1 1 A 42 42 GLN CB C 42 28.418 27.972 0.446 1
1 485 . 12 1 1 A 42 42 GLN N N 42 114.515 117.759 -3.244 1
1 487 . 12 1 1 A 43 43 TYR H H 43 6.692 7.710 -1.018 1
1 488 . 12 1 1 A 43 43 TYR HA H 43 4.866 4.623 0.243 1
1 495 . 12 1 1 A 43 43 TYR C C 43 177.063 175.400 1.663 1
1 496 . 12 1 1 A 43 43 TYR CA C 43 58.627 58.880 -0.253 1
1 497 . 12 1 1 A 43 43 TYR CB C 43 39.628 39.507 0.121 1
1 502 . 12 1 1 A 43 43 TYR N N 43 116.167 119.794 -3.627 1
1 503 . 12 1 1 A 44 44 THR H H 44 8.785 8.825 -0.040 1
1 504 . 12 1 1 A 44 44 THR HA H 44 4.800 5.374 -0.574 1
1 509 . 12 1 1 A 44 44 THR C C 44 176.061 175.878 0.183 1
1 510 . 12 1 1 A 44 44 THR CA C 44 60.519 59.919 0.600 1
1 511 . 12 1 1 A 44 44 THR CB C 44 71.926 72.114 -0.188 1
1 513 . 12 1 1 A 44 44 THR N N 44 116.779 111.582 5.197 1
1 514 . 12 1 1 A 45 45 THR H H 45 8.849 8.560 0.289 1
1 515 . 12 1 1 A 45 45 THR HA H 45 3.626 3.698 -0.072 1
1 520 . 12 1 1 A 45 45 THR C C 45 176.458 176.308 0.150 1
1 521 . 12 1 1 A 45 45 THR CA C 45 65.716 65.434 0.282 1
1 522 . 12 1 1 A 45 45 THR CB C 45 67.141 67.812 -0.671 1
1 524 . 12 1 1 A 45 45 THR N N 45 112.579 114.691 -2.112 1
1 525 . 12 1 1 A 46 46 ILE H H 46 7.144 7.763 -0.619 1
1 526 . 12 1 1 A 46 46 ILE HA H 46 3.803 3.707 0.096 1
1 536 . 12 1 1 A 46 46 ILE C C 46 177.573 177.915 -0.342 1
1 537 . 12 1 1 A 46 46 ILE CA C 46 64.078 64.989 -0.911 1
1 538 . 12 1 1 A 46 46 ILE CB C 46 38.733 37.511 1.222 1
1 542 . 12 1 1 A 46 46 ILE N N 46 119.409 123.134 -3.725 1
1 543 . 12 1 1 A 47 47 GLN H H 47 7.552 7.994 -0.442 1
1 544 . 12 1 1 A 47 47 GLN HA H 47 4.124 3.973 0.151 1
1 551 . 12 1 1 A 47 47 GLN C C 47 179.640 178.814 0.826 1
1 552 . 12 1 1 A 47 47 GLN CA C 47 59.282 59.096 0.186 1
1 553 . 12 1 1 A 47 47 GLN CB C 47 29.242 28.398 0.844 1
1 555 . 12 1 1 A 47 47 GLN N N 47 119.564 118.598 0.966 1
1 557 . 12 1 1 A 48 48 ILE H H 48 8.520 8.215 0.305 1
1 558 . 12 1 1 A 48 48 ILE HA H 48 3.861 3.727 0.134 1
1 568 . 12 1 1 A 48 48 ILE C C 48 177.779 178.011 -0.232 1
1 569 . 12 1 1 A 48 48 ILE CA C 48 61.208 65.278 -4.070 1
1 570 . 12 1 1 A 48 48 ILE CB C 48 34.654 38.058 -3.404 1
1 574 . 12 1 1 A 48 48 ILE N N 48 118.052 121.269 -3.217 1
1 575 . 12 1 1 A 49 49 ALA H H 49 8.826 8.344 0.482 1
1 576 . 12 1 1 A 49 49 ALA HA H 49 4.071 4.192 -0.121 1
1 580 . 12 1 1 A 49 49 ALA C C 49 179.849 180.035 -0.186 1
1 581 . 12 1 1 A 49 49 ALA CA C 49 55.909 55.706 0.203 1
1 582 . 12 1 1 A 49 49 ALA CB C 49 18.289 18.544 -0.255 1
1 583 . 12 1 1 A 49 49 ALA N N 49 123.182 122.528 0.654 1
1 584 . 12 1 1 A 50 50 ASN H H 50 8.319 8.228 0.091 1
1 585 . 12 1 1 A 50 50 ASN HA H 50 4.517 4.408 0.109 1
1 590 . 12 1 1 A 50 50 ASN CA C 50 56.309 56.781 -0.472 1
1 591 . 12 1 1 A 50 50 ASN CB C 50 38.198 38.153 0.045 1
1 592 . 12 1 1 A 50 50 ASN N N 50 116.379 117.415 -1.036 1
1 594 . 12 1 1 A 51 51 MET H H 51 8.233 8.156 0.077 1
1 595 . 12 1 1 A 51 51 MET HA H 51 4.132 4.073 0.059 1
1 603 . 12 1 1 A 51 51 MET CA C 51 59.312 58.518 0.794 1
1 604 . 12 1 1 A 51 51 MET CB C 51 34.763 32.340 2.423 1
1 607 . 12 1 1 A 51 51 MET N N 51 119.934 118.309 1.625 1
1 608 . 12 1 1 A 52 52 MET H H 52 8.926 8.127 0.799 1
1 609 . 12 1 1 A 52 52 MET HA H 52 3.874 4.231 -0.357 1
1 617 . 12 1 1 A 52 52 MET C C 52 177.228 178.796 -1.568 1
1 618 . 12 1 1 A 52 52 MET CA C 52 60.218 58.521 1.697 1
1 619 . 12 1 1 A 52 52 MET CB C 52 33.427 33.026 0.401 1
1 622 . 12 1 1 A 52 52 MET N N 52 120.686 118.775 1.911 1
1 623 . 12 1 1 A 53 53 GLU H H 53 8.111 8.362 -0.251 1
1 624 . 12 1 1 A 53 53 GLU HA H 53 3.863 4.080 -0.217 1
1 629 . 12 1 1 A 53 53 GLU C C 53 177.640 178.378 -0.738 1
1 630 . 12 1 1 A 53 53 GLU CA C 53 59.847 59.832 0.015 1
1 631 . 12 1 1 A 53 53 GLU CB C 53 29.778 29.515 0.263 1
1 633 . 12 1 1 A 53 53 GLU N N 53 119.207 119.092 0.115 1
1 634 . 12 1 1 A 54 54 GLU H H 54 7.030 7.460 -0.430 1
1 635 . 12 1 1 A 54 54 GLU HA H 54 4.014 4.166 -0.152 1
1 640 . 12 1 1 A 54 54 GLU C C 54 178.008 178.565 -0.557 1
1 641 . 12 1 1 A 54 54 GLU CA C 54 58.211 58.434 -0.223 1
1 642 . 12 1 1 A 54 54 GLU CB C 54 30.149 30.002 0.147 1
1 644 . 12 1 1 A 54 54 GLU N N 54 115.049 119.533 -4.484 1
1 645 . 12 1 1 A 55 55 LYS H H 55 7.670 7.964 -0.294 1
1 646 . 12 1 1 A 55 55 LYS HA H 55 3.930 3.877 0.053 1
1 655 . 12 1 1 A 55 55 LYS C C 55 175.986 176.405 -0.419 1
1 656 . 12 1 1 A 55 55 LYS CA C 55 56.405 58.705 -2.300 1
1 657 . 12 1 1 A 55 55 LYS CB C 55 32.705 31.956 0.749 1
1 661 . 12 1 1 A 55 55 LYS N N 55 117.040 119.604 -2.564 1
1 662 . 12 1 1 A 56 56 PHE H H 56 8.079 8.074 0.005 1
1 663 . 12 1 1 A 56 56 PHE HA H 56 5.215 5.029 0.186 1
1 671 . 12 1 1 A 56 56 PHE CA C 56 53.965 54.965 -1.000 1
1 672 . 12 1 1 A 56 56 PHE CB C 56 38.759 39.196 -0.437 1
1 678 . 12 1 1 A 56 56 PHE N N 56 117.341 116.361 0.980 1
1 679 . 12 1 1 A 57 57 PRO HA H 57 4.514 4.530 -0.016 1
1 686 . 12 1 1 A 57 57 PRO CA C 57 64.818 64.185 0.633 1
1 687 . 12 1 1 A 57 57 PRO CB C 57 32.192 31.882 0.310 1
1 690 . 12 1 1 A 58 58 ALA H H 58 8.619 8.303 0.316 1
1 691 . 12 1 1 A 58 58 ALA HA H 58 4.206 4.141 0.065 1
1 695 . 12 1 1 A 58 58 ALA CA C 58 55.406 55.156 0.250 1
1 696 . 12 1 1 A 58 58 ALA CB C 58 18.353 19.081 -0.728 1
1 697 . 12 1 1 A 58 58 ALA N N 58 120.173 120.796 -0.623 1
1 698 . 12 1 1 A 59 59 ASP H H 59 7.515 8.066 -0.551 1
1 699 . 12 1 1 A 59 59 ASP HA H 59 4.810 4.685 0.125 1
1 702 . 12 1 1 A 59 59 ASP CA C 59 52.659 53.025 -0.366 1
1 703 . 12 1 1 A 59 59 ASP CB C 59 41.778 41.798 -0.020 1
1 704 . 12 1 1 A 59 59 ASP N N 59 113.536 114.330 -0.794 1
1 705 . 12 1 1 A 60 60 SER H H 60 8.392 8.693 -0.301 1
1 706 . 12 1 1 A 60 60 SER HA H 60 4.176 4.700 -0.524 1
1 709 . 12 1 1 A 60 60 SER CA C 60 60.221 59.605 0.616 1
1 710 . 12 1 1 A 60 60 SER CB C 60 62.050 61.635 0.415 1
1 711 . 12 1 1 A 60 60 SER N N 60 113.717 111.716 2.001 1
1 712 . 12 1 1 A 61 61 GLY H H 61 8.299 8.293 0.006 1
1 713 . 12 1 1 A 61 61 GLY HA2 H 61 4.005 3.758 0.247 1
1 714 . 12 1 1 A 61 61 GLY HA3 H 61 3.502 3.969 -0.467 1
1 715 . 12 1 1 A 61 61 GLY CA C 61 45.554 45.335 0.219 1
1 716 . 12 1 1 A 61 61 GLY N N 61 104.225 106.449 -2.224 1
1 717 . 12 1 1 A 62 62 LEU H H 62 7.927 7.803 0.124 1
1 718 . 12 1 1 A 62 62 LEU HA H 62 3.915 4.014 -0.099 1
1 728 . 12 1 1 A 62 62 LEU CA C 62 58.075 57.872 0.203 1
1 729 . 12 1 1 A 62 62 LEU CB C 62 41.731 41.957 -0.226 1
1 733 . 12 1 1 A 62 62 LEU N N 62 122.094 122.801 -0.707 1
1 734 . 12 1 1 A 63 63 GLY H H 63 8.566 8.091 0.475 1
1 735 . 12 1 1 A 63 63 GLY HA2 H 63 3.847 3.624 0.223 1
1 736 . 12 1 1 A 63 63 GLY HA3 H 63 3.592 3.639 -0.047 1
1 737 . 12 1 1 A 63 63 GLY CA C 63 47.146 47.028 0.118 1
1 738 . 12 1 1 A 63 63 GLY N N 63 105.732 106.467 -0.735 1
1 739 . 12 1 1 A 64 64 LYS H H 64 7.509 8.117 -0.608 1
1 740 . 12 1 1 A 64 64 LYS HA H 64 4.115 3.932 0.183 1
1 749 . 12 1 1 A 64 64 LYS C C 64 179.856 178.972 0.884 1
1 750 . 12 1 1 A 64 64 LYS CA C 64 57.768 59.302 -1.534 1
1 751 . 12 1 1 A 64 64 LYS CB C 64 31.542 32.074 -0.532 1
1 755 . 12 1 1 A 64 64 LYS N N 64 120.697 121.916 -1.219 1
1 756 . 12 1 1 A 65 65 LEU H H 65 7.544 7.986 -0.442 1
1 757 . 12 1 1 A 65 65 LEU HA H 65 4.219 3.796 0.423 1
1 767 . 12 1 1 A 65 65 LEU C C 65 178.606 178.396 0.210 1
1 768 . 12 1 1 A 65 65 LEU CA C 65 57.675 57.974 -0.299 1
1 769 . 12 1 1 A 65 65 LEU CB C 65 41.040 41.652 -0.612 1
1 773 . 12 1 1 A 65 65 LEU N N 65 120.399 120.711 -0.312 1
1 774 . 12 1 1 A 66 66 ILE H H 66 8.605 7.838 0.767 1
1 775 . 12 1 1 A 66 66 ILE HA H 66 3.271 3.595 -0.324 1
1 785 . 12 1 1 A 66 66 ILE C C 66 176.721 177.760 -1.039 1
1 786 . 12 1 1 A 66 66 ILE CA C 66 67.612 65.738 1.874 1
1 787 . 12 1 1 A 66 66 ILE CB C 66 38.006 37.595 0.411 1
1 791 . 12 1 1 A 66 66 ILE N N 66 121.170 119.852 1.318 1
1 792 . 12 1 1 A 67 67 GLU H H 67 8.157 8.058 0.099 1
1 793 . 12 1 1 A 67 67 GLU HA H 67 4.007 3.942 0.065 1
1 798 . 12 1 1 A 67 67 GLU C C 67 178.848 179.274 -0.426 1
1 799 . 12 1 1 A 67 67 GLU CA C 67 59.476 59.722 -0.246 1
1 800 . 12 1 1 A 67 67 GLU CB C 67 30.055 29.488 0.567 1
1 802 . 12 1 1 A 67 67 GLU N N 67 118.066 119.263 -1.197 1
1 803 . 12 1 1 A 68 68 PHE H H 68 7.673 7.958 -0.285 1
1 804 . 12 1 1 A 68 68 PHE HA H 68 4.393 4.127 0.266 1
1 812 . 12 1 1 A 68 68 PHE C C 68 176.609 177.619 -1.010 1
1 813 . 12 1 1 A 68 68 PHE CA C 68 60.660 61.382 -0.722 1
1 814 . 12 1 1 A 68 68 PHE CB C 68 39.666 39.583 0.083 1
1 820 . 12 1 1 A 68 68 PHE N N 68 119.383 121.053 -1.670 1
1 821 . 12 1 1 A 69 69 CYS H H 69 8.137 8.266 -0.129 1
1 822 . 12 1 1 A 69 69 CYS HA H 69 3.714 3.959 -0.245 1
1 825 . 12 1 1 A 69 69 CYS C C 69 175.221 176.881 -1.660 1
1 826 . 12 1 1 A 69 69 CYS CA C 69 62.782 62.569 0.213 1
1 827 . 12 1 1 A 69 69 CYS CB C 69 26.732 27.027 -0.295 1
1 828 . 12 1 1 A 69 69 CYS N N 69 115.218 116.707 -1.489 1
1 829 . 12 1 1 A 70 70 GLU H H 70 8.108 7.958 0.150 1
1 830 . 12 1 1 A 70 70 GLU HA H 70 3.739 4.004 -0.265 1
1 835 . 12 1 1 A 70 70 GLU C C 70 178.404 179.080 -0.676 1
1 836 . 12 1 1 A 70 70 GLU CA C 70 58.839 59.388 -0.549 1
1 837 . 12 1 1 A 70 70 GLU CB C 70 30.149 29.587 0.562 1
1 839 . 12 1 1 A 70 70 GLU N N 70 113.937 119.963 -6.026 1
1 840 . 12 1 1 A 71 71 GLU H H 71 7.306 8.554 -1.248 1
1 841 . 12 1 1 A 71 71 GLU HA H 71 4.148 4.153 -0.005 1
1 846 . 12 1 1 A 71 71 GLU C C 71 176.363 176.645 -0.282 1
1 847 . 12 1 1 A 71 71 GLU CA C 71 56.943 59.021 -2.078 1
1 848 . 12 1 1 A 71 71 GLU CB C 71 30.374 29.185 1.189 1
1 850 . 12 1 1 A 71 71 GLU N N 71 117.591 117.892 -0.301 1
1 851 . 12 1 1 A 72 72 VAL H H 72 7.055 7.606 -0.551 1
1 852 . 12 1 1 A 72 72 VAL HA H 72 4.220 4.139 0.081 1
1 860 . 12 1 1 A 72 72 VAL C C 72 174.906 175.563 -0.657 1
1 861 . 12 1 1 A 72 72 VAL CA C 72 59.360 58.980 0.380 1
1 862 . 12 1 1 A 72 72 VAL CB C 72 33.462 31.945 1.517 1
1 865 . 12 1 1 A 72 72 VAL N N 72 122.531 121.924 0.607 1
1 866 . 12 1 1 A 73 73 PRO HA H 73 3.887 4.479 -0.592 1
1 873 . 12 1 1 A 73 73 PRO C C 73 179.162 177.374 1.788 1
1 874 . 12 1 1 A 73 73 PRO CA C 73 66.658 64.214 2.444 1
1 875 . 12 1 1 A 73 73 PRO CB C 73 31.819 31.800 0.019 1
1 878 . 12 1 1 A 74 74 ALA H H 74 8.188 8.217 -0.029 1
1 879 . 12 1 1 A 74 74 ALA HA H 74 4.217 4.270 -0.053 1
1 883 . 12 1 1 A 74 74 ALA C C 74 178.535 178.257 0.278 1
1 884 . 12 1 1 A 74 74 ALA CA C 74 54.149 53.563 0.586 1
1 885 . 12 1 1 A 74 74 ALA CB C 74 19.305 19.289 0.016 1
1 886 . 12 1 1 A 74 74 ALA N N 74 116.317 119.977 -3.660 1
1 887 . 12 1 1 A 75 75 LEU H H 75 8.188 7.183 1.005 1
1 888 . 12 1 1 A 75 75 LEU HA H 75 4.607 4.205 0.402 1
1 898 . 12 1 1 A 75 75 LEU C C 75 177.094 178.158 -1.064 1
1 899 . 12 1 1 A 75 75 LEU CA C 75 53.645 55.005 -1.360 1
1 900 . 12 1 1 A 75 75 LEU CB C 75 42.633 42.011 0.622 1
1 904 . 12 1 1 A 75 75 LEU N N 75 116.296 115.174 1.122 1
1 905 . 12 1 1 A 76 76 ARG H H 76 7.332 8.169 -0.837 1
1 906 . 12 1 1 A 76 76 ARG HA H 76 3.789 3.856 -0.067 1
1 913 . 12 1 1 A 76 76 ARG C C 76 179.457 178.634 0.823 1
1 914 . 12 1 1 A 76 76 ARG CA C 76 60.815 60.075 0.740 1
1 915 . 12 1 1 A 76 76 ARG CB C 76 29.535 29.861 -0.326 1
1 918 . 12 1 1 A 76 76 ARG N N 76 122.654 119.053 3.601 1
1 919 . 12 1 1 A 77 77 LYS H H 77 8.489 8.010 0.479 1
1 920 . 12 1 1 A 77 77 LYS HA H 77 4.118 3.999 0.119 1
1 929 . 12 1 1 A 77 77 LYS C C 77 179.135 179.005 0.130 1
1 930 . 12 1 1 A 77 77 LYS CA C 77 58.963 59.191 -0.228 1
1 931 . 12 1 1 A 77 77 LYS CB C 77 31.113 32.451 -1.338 1
1 935 . 12 1 1 A 77 77 LYS N N 77 119.343 119.536 -0.193 1
1 936 . 12 1 1 A 78 78 ARG H H 78 7.626 8.397 -0.771 1
1 937 . 12 1 1 A 78 78 ARG HA H 78 3.931 4.061 -0.130 1
1 944 . 12 1 1 A 78 78 ARG C C 78 178.200 179.171 -0.971 1
1 945 . 12 1 1 A 78 78 ARG CA C 78 56.415 59.229 -2.814 1
1 946 . 12 1 1 A 78 78 ARG CB C 78 27.010 30.244 -3.234 1
1 949 . 12 1 1 A 78 78 ARG N N 78 120.202 119.191 1.011 1
1 950 . 12 1 1 A 79 79 ALA H H 79 8.138 8.152 -0.014 1
1 951 . 12 1 1 A 79 79 ALA HA H 79 3.837 4.034 -0.197 1
1 955 . 12 1 1 A 79 79 ALA C C 79 178.684 180.000 -1.316 1
1 956 . 12 1 1 A 79 79 ALA CA C 79 55.692 55.459 0.233 1
1 957 . 12 1 1 A 79 79 ALA CB C 79 18.376 18.676 -0.300 1
1 958 . 12 1 1 A 79 79 ALA N N 79 120.388 122.074 -1.686 1
1 959 . 12 1 1 A 80 80 GLU H H 80 7.437 7.868 -0.431 1
1 960 . 12 1 1 A 80 80 GLU HA H 80 3.877 4.077 -0.200 1
1 965 . 12 1 1 A 80 80 GLU C C 80 179.640 178.786 0.854 1
1 966 . 12 1 1 A 80 80 GLU CA C 80 59.370 59.232 0.138 1
1 967 . 12 1 1 A 80 80 GLU CB C 80 29.445 29.387 0.058 1
1 969 . 12 1 1 A 80 80 GLU N N 80 115.384 116.509 -1.125 1
1 970 . 12 1 1 A 81 81 ILE H H 81 7.721 7.656 0.065 1
1 971 . 12 1 1 A 81 81 ILE HA H 81 3.675 3.697 -0.022 1
1 981 . 12 1 1 A 81 81 ILE C C 81 178.179 178.614 -0.435 1
1 982 . 12 1 1 A 81 81 ILE CA C 81 65.187 65.389 -0.202 1
1 983 . 12 1 1 A 81 81 ILE CB C 81 38.471 37.546 0.925 1
1 987 . 12 1 1 A 81 81 ILE N N 81 121.563 121.171 0.392 1
1 988 . 12 1 1 A 82 82 LEU H H 82 8.374 8.228 0.146 1
1 989 . 12 1 1 A 82 82 LEU HA H 82 3.930 4.010 -0.080 1
1 999 . 12 1 1 A 82 82 LEU C C 82 179.279 179.362 -0.083 1
1 1000 . 12 1 1 A 82 82 LEU CA C 82 58.038 56.806 1.232 1
1 1001 . 12 1 1 A 82 82 LEU CB C 82 42.869 41.497 1.372 1
1 1005 . 12 1 1 A 82 82 LEU N N 82 119.839 120.417 -0.578 1
1 1006 . 12 1 1 A 83 83 LYS H H 83 8.153 8.304 -0.151 1
1 1007 . 12 1 1 A 83 83 LYS HA H 83 3.740 4.044 -0.304 1
1 1016 . 12 1 1 A 83 83 LYS C C 83 179.548 178.954 0.594 1
1 1017 . 12 1 1 A 83 83 LYS CA C 83 60.433 59.582 0.851 1
1 1018 . 12 1 1 A 83 83 LYS CB C 83 32.703 32.399 0.304 1
1 1022 . 12 1 1 A 83 83 LYS N N 83 117.092 120.784 -3.692 1
1 1023 . 12 1 1 A 84 84 LYS H H 84 7.705 8.038 -0.333 1
1 1024 . 12 1 1 A 84 84 LYS HA H 84 4.101 3.956 0.145 1
1 1033 . 12 1 1 A 84 84 LYS C C 84 179.082 178.769 0.313 1
1 1034 . 12 1 1 A 84 84 LYS CA C 84 59.120 59.575 -0.455 1
1 1035 . 12 1 1 A 84 84 LYS CB C 84 32.291 32.145 0.146 1
1 1039 . 12 1 1 A 84 84 LYS N N 84 121.473 121.133 0.340 1
1 1040 . 12 1 1 A 85 85 GLU H H 85 8.567 7.937 0.630 1
1 1041 . 12 1 1 A 85 85 GLU HA H 85 4.013 4.121 -0.108 1
1 1046 . 12 1 1 A 85 85 GLU CA C 85 59.360 59.147 0.213 1
1 1047 . 12 1 1 A 85 85 GLU CB C 85 30.033 29.502 0.531 1
1 1049 . 12 1 1 A 85 85 GLU N N 85 119.645 119.203 0.442 1
1 1050 . 12 1 1 A 86 86 ARG H H 86 8.467 7.589 0.878 1
1 1051 . 12 1 1 A 86 86 ARG HA H 86 4.030 4.055 -0.025 1
1 1058 . 12 1 1 A 86 86 ARG C C 86 177.790 176.651 1.139 1
1 1059 . 12 1 1 A 86 86 ARG CA C 86 58.556 59.034 -0.478 1
1 1060 . 12 1 1 A 86 86 ARG CB C 86 30.377 29.983 0.394 1
1 1063 . 12 1 1 A 86 86 ARG N N 86 119.408 121.171 -1.763 1
1 1064 . 12 1 1 A 87 87 SER H H 87 7.851 7.720 0.131 1
1 1065 . 12 1 1 A 87 87 SER HA H 87 4.369 4.574 -0.205 1
1 1068 . 12 1 1 A 87 87 SER C C 87 175.282 173.547 1.735 1
1 1069 . 12 1 1 A 87 87 SER CA C 87 60.271 57.070 3.201 1
1 1070 . 12 1 1 A 87 87 SER CB C 87 63.601 64.710 -1.109 1
1 1071 . 12 1 1 A 87 87 SER N N 87 115.071 115.016 0.055 1
1 1072 . 12 1 1 A 88 88 GLU H H 88 7.891 8.560 -0.669 1
1 1073 . 12 1 1 A 88 88 GLU HA H 88 4.316 4.709 -0.393 1
1 1078 . 12 1 1 A 88 88 GLU C C 88 176.801 176.884 -0.083 1
1 1079 . 12 1 1 A 88 88 GLU CA C 88 57.036 55.649 1.387 1
1 1080 . 12 1 1 A 88 88 GLU CB C 88 30.024 29.290 0.734 1
1 1082 . 12 1 1 A 88 88 GLU N N 88 121.067 125.350 -4.283 1
1 1083 . 12 1 1 A 89 89 SER H H 89 7.934 8.500 -0.566 1
1 1084 . 12 1 1 A 89 89 SER HA H 89 4.503 4.046 0.457 1
1 1087 . 12 1 1 A 89 89 SER C C 89 174.624 173.353 1.271 1
1 1088 . 12 1 1 A 89 89 SER CA C 89 58.875 59.023 -0.148 1
1 1089 . 12 1 1 A 89 89 SER CB C 89 64.040 61.564 2.476 1
1 1090 . 12 1 1 A 89 89 SER N N 89 115.241 114.018 1.223 1
1 1091 . 12 1 1 A 90 90 GLY H H 90 8.062 8.096 -0.034 1
1 1092 . 12 1 1 A 90 90 GLY HA2 H 90 4.210 4.146 0.064 1
1 1093 . 12 1 1 A 90 90 GLY HA3 H 90 4.083 4.147 -0.064 1
1 1094 . 12 1 1 A 90 90 GLY C C 90 171.774 173.007 -1.233 1
1 1095 . 12 1 1 A 90 90 GLY CA C 90 44.872 43.902 0.970 1
1 1096 . 12 1 1 A 90 90 GLY N N 90 110.384 107.590 2.794 1
1 1097 . 12 1 1 A 91 91 PRO HA H 91 4.495 4.731 -0.236 1
1 1104 . 12 1 1 A 91 91 PRO C C 91 177.475 175.379 2.096 1
1 1105 . 12 1 1 A 91 91 PRO CA C 91 63.295 62.869 0.426 1
1 1106 . 12 1 1 A 91 91 PRO CB C 91 32.234 33.245 -1.011 1
1 1109 . 12 1 1 A 92 92 SER H H 92 8.557 8.496 0.061 1
1 1110 . 12 1 1 A 92 92 SER HA H 92 4.575 4.839 -0.264 1
1 1113 . 12 1 1 A 92 92 SER C C 92 174.736 174.253 0.483 1
1 1114 . 12 1 1 A 92 92 SER CA C 92 58.380 57.707 0.673 1
1 1115 . 12 1 1 A 92 92 SER CB C 92 64.221 67.741 -3.520 1
1 1 . 13 1 1 A 6 6 SER H H 6 8.063 8.510 -0.447 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.493 4.630 -0.137 1
1 5 . 13 1 1 A 6 6 SER CA C 6 59.071 58.127 0.944 1
1 6 . 13 1 1 A 6 6 SER CB C 6 63.626 62.428 1.198 1
1 7 . 13 1 1 A 7 7 GLY H H 7 8.424 7.927 0.497 1
1 8 . 13 1 1 A 7 7 GLY HA2 H 7 3.985 4.034 -0.049 1
1 9 . 13 1 1 A 7 7 GLY HA3 H 7 3.834 4.034 -0.200 1
1 10 . 13 1 1 A 7 7 GLY CA C 7 47.092 45.855 1.237 1
1 11 . 13 1 1 A 7 7 GLY N N 7 109.548 109.389 0.159 1
1 12 . 13 1 1 A 8 8 ILE H H 8 7.565 8.993 -1.428 1
1 13 . 13 1 1 A 8 8 ILE HA H 8 3.883 4.798 -0.915 1
1 23 . 13 1 1 A 8 8 ILE CA C 8 63.805 59.961 3.844 1
1 24 . 13 1 1 A 8 8 ILE CB C 8 37.866 40.670 -2.804 1
1 28 . 13 1 1 A 8 8 ILE N N 8 123.348 127.213 -3.865 1
1 29 . 13 1 1 A 9 9 VAL H H 9 7.538 8.795 -1.257 1
1 30 . 13 1 1 A 9 9 VAL HA H 9 3.471 4.617 -1.146 1
1 38 . 13 1 1 A 9 9 VAL CA C 9 66.382 60.357 6.025 1
1 39 . 13 1 1 A 9 9 VAL CB C 9 31.755 35.683 -3.928 1
1 42 . 13 1 1 A 9 9 VAL N N 9 121.471 126.535 -5.064 1
1 43 . 13 1 1 A 10 10 LEU H H 10 7.941 8.792 -0.851 1
1 44 . 13 1 1 A 10 10 LEU HA H 10 3.848 4.081 -0.233 1
1 54 . 13 1 1 A 10 10 LEU CA C 10 58.619 57.822 0.797 1
1 55 . 13 1 1 A 10 10 LEU CB C 10 41.377 42.104 -0.727 1
1 59 . 13 1 1 A 10 10 LEU N N 10 119.521 129.564 -10.043 1
1 60 . 13 1 1 A 11 11 LEU H H 11 8.207 7.644 0.563 1
1 61 . 13 1 1 A 11 11 LEU HA H 11 3.792 4.164 -0.372 1
1 71 . 13 1 1 A 11 11 LEU CA C 11 58.241 56.780 1.461 1
1 72 . 13 1 1 A 11 11 LEU CB C 11 41.790 42.470 -0.680 1
1 76 . 13 1 1 A 11 11 LEU N N 11 119.938 119.679 0.259 1
1 77 . 13 1 1 A 12 12 ARG H H 12 7.904 7.952 -0.048 1
1 78 . 13 1 1 A 12 12 ARG HA H 12 3.966 3.978 -0.012 1
1 85 . 13 1 1 A 12 12 ARG CA C 12 59.301 59.064 0.237 1
1 86 . 13 1 1 A 12 12 ARG CB C 12 30.132 29.887 0.245 1
1 89 . 13 1 1 A 12 12 ARG N N 12 116.799 119.519 -2.720 1
1 90 . 13 1 1 A 13 13 GLY H H 13 8.190 8.430 -0.240 1
1 91 . 13 1 1 A 13 13 GLY HA2 H 13 3.740 3.876 -0.136 1
1 92 . 13 1 1 A 13 13 GLY HA3 H 13 3.437 3.882 -0.445 1
1 93 . 13 1 1 A 13 13 GLY CA C 13 47.988 47.007 0.981 1
1 94 . 13 1 1 A 13 13 GLY N N 13 107.618 108.498 -0.880 1
1 95 . 13 1 1 A 14 14 LEU H H 14 8.515 8.134 0.381 1
1 96 . 13 1 1 A 14 14 LEU HA H 14 3.785 4.212 -0.427 1
1 106 . 13 1 1 A 14 14 LEU C C 14 178.232 179.140 -0.908 1
1 107 . 13 1 1 A 14 14 LEU CA C 14 57.401 57.074 0.327 1
1 108 . 13 1 1 A 14 14 LEU CB C 14 41.981 41.898 0.083 1
1 112 . 13 1 1 A 14 14 LEU N N 14 120.161 121.726 -1.565 1
1 113 . 13 1 1 A 15 15 GLU H H 15 7.931 8.316 -0.385 1
1 114 . 13 1 1 A 15 15 GLU HA H 15 4.030 3.950 0.080 1
1 119 . 13 1 1 A 15 15 GLU CA C 15 57.961 59.163 -1.202 1
1 120 . 13 1 1 A 15 15 GLU CB C 15 30.140 29.311 0.829 1
1 122 . 13 1 1 A 15 15 GLU N N 15 114.703 118.758 -4.055 1
1 123 . 13 1 1 A 16 16 CYS H H 16 7.612 7.804 -0.192 1
1 124 . 13 1 1 A 16 16 CYS HA H 16 4.457 4.288 0.169 1
1 127 . 13 1 1 A 16 16 CYS CA C 16 60.982 61.077 -0.095 1
1 128 . 13 1 1 A 16 16 CYS CB C 16 27.917 27.400 0.517 1
1 129 . 13 1 1 A 16 16 CYS N N 16 114.695 116.935 -2.240 1
1 130 . 13 1 1 A 17 17 ILE H H 17 7.142 7.693 -0.551 1
1 131 . 13 1 1 A 17 17 ILE HA H 17 4.533 5.057 -0.524 1
1 141 . 13 1 1 A 17 17 ILE CA C 17 61.521 59.382 2.139 1
1 142 . 13 1 1 A 17 17 ILE CB C 17 39.206 41.550 -2.344 1
1 146 . 13 1 1 A 17 17 ILE N N 17 115.031 116.264 -1.233 1
1 147 . 13 1 1 A 18 18 ASN H H 18 8.325 8.937 -0.612 1
1 148 . 13 1 1 A 18 18 ASN HA H 18 4.575 5.160 -0.585 1
1 153 . 13 1 1 A 18 18 ASN C C 18 175.171 176.053 -0.882 1
1 154 . 13 1 1 A 18 18 ASN CA C 18 53.278 51.337 1.941 1
1 155 . 13 1 1 A 18 18 ASN CB C 18 38.419 41.087 -2.668 1
1 156 . 13 1 1 A 18 18 ASN N N 18 119.943 122.327 -2.384 1
1 158 . 13 1 1 A 19 19 LYS H H 19 8.514 8.958 -0.444 1
1 159 . 13 1 1 A 19 19 LYS HA H 19 4.242 4.067 0.175 1
1 168 . 13 1 1 A 19 19 LYS C C 19 178.868 178.417 0.451 1
1 169 . 13 1 1 A 19 19 LYS CA C 19 60.006 60.301 -0.295 1
1 170 . 13 1 1 A 19 19 LYS CB C 19 32.291 32.357 -0.066 1
1 174 . 13 1 1 A 19 19 LYS N N 19 118.191 126.007 -7.816 1
1 175 . 13 1 1 A 20 20 HIS H H 20 8.328 8.166 0.162 1
1 176 . 13 1 1 A 20 20 HIS HA H 20 4.371 4.193 0.178 1
1 181 . 13 1 1 A 20 20 HIS C C 20 178.335 176.531 1.804 1
1 182 . 13 1 1 A 20 20 HIS CA C 20 59.785 59.931 -0.146 1
1 183 . 13 1 1 A 20 20 HIS CB C 20 29.879 30.117 -0.238 1
1 186 . 13 1 1 A 20 20 HIS N N 20 120.900 119.727 1.173 1
1 187 . 13 1 1 A 21 21 TYR H H 21 8.464 8.303 0.161 1
1 188 . 13 1 1 A 21 21 TYR HA H 21 4.540 4.249 0.291 1
1 195 . 13 1 1 A 21 21 TYR C C 21 178.222 178.599 -0.377 1
1 196 . 13 1 1 A 21 21 TYR CA C 21 61.863 61.585 0.278 1
1 197 . 13 1 1 A 21 21 TYR CB C 21 38.012 38.168 -0.156 1
1 202 . 13 1 1 A 21 21 TYR N N 21 118.132 117.229 0.903 1
1 203 . 13 1 1 A 22 22 PHE H H 22 9.095 8.622 0.473 1
1 204 . 13 1 1 A 22 22 PHE HA H 22 4.616 4.166 0.450 1
1 212 . 13 1 1 A 22 22 PHE C C 22 177.409 177.518 -0.109 1
1 213 . 13 1 1 A 22 22 PHE CA C 22 59.761 61.732 -1.971 1
1 214 . 13 1 1 A 22 22 PHE CB C 22 38.982 39.248 -0.266 1
1 220 . 13 1 1 A 22 22 PHE N N 22 121.771 120.861 0.910 1
1 221 . 13 1 1 A 23 23 SER H H 23 8.400 8.688 -0.288 1
1 222 . 13 1 1 A 23 23 SER HA H 23 3.785 4.057 -0.272 1
1 225 . 13 1 1 A 23 23 SER C C 23 177.318 176.988 0.330 1
1 226 . 13 1 1 A 23 23 SER CA C 23 62.453 61.135 1.318 1
1 227 . 13 1 1 A 23 23 SER CB C 23 62.279 63.022 -0.743 1
1 228 . 13 1 1 A 23 23 SER N N 23 115.511 113.756 1.755 1
1 229 . 13 1 1 A 24 24 LEU H H 24 7.737 8.027 -0.290 1
1 230 . 13 1 1 A 24 24 LEU HA H 24 4.118 4.086 0.032 1
1 240 . 13 1 1 A 24 24 LEU C C 24 178.956 179.148 -0.192 1
1 241 . 13 1 1 A 24 24 LEU CA C 24 57.992 57.623 0.369 1
1 242 . 13 1 1 A 24 24 LEU CB C 24 42.066 42.403 -0.337 1
1 246 . 13 1 1 A 24 24 LEU N N 24 123.378 122.389 0.989 1
1 247 . 13 1 1 A 25 25 PHE H H 25 8.643 8.035 0.608 1
1 248 . 13 1 1 A 25 25 PHE HA H 25 3.475 3.362 0.113 1
1 256 . 13 1 1 A 25 25 PHE C C 25 176.905 177.254 -0.349 1
1 257 . 13 1 1 A 25 25 PHE CA C 25 61.196 61.378 -0.182 1
1 258 . 13 1 1 A 25 25 PHE CB C 25 38.741 38.963 -0.222 1
1 264 . 13 1 1 A 25 25 PHE N N 25 122.640 119.398 3.242 1
1 265 . 13 1 1 A 26 26 LYS H H 26 8.022 8.131 -0.109 1
1 266 . 13 1 1 A 26 26 LYS HA H 26 3.197 3.601 -0.404 1
1 275 . 13 1 1 A 26 26 LYS C C 26 177.424 178.971 -1.547 1
1 276 . 13 1 1 A 26 26 LYS CA C 26 61.439 59.836 1.603 1
1 277 . 13 1 1 A 26 26 LYS CB C 26 32.363 31.678 0.685 1
1 281 . 13 1 1 A 26 26 LYS N N 26 116.023 117.695 -1.672 1
1 282 . 13 1 1 A 27 27 SER H H 27 7.473 7.211 0.262 1
1 283 . 13 1 1 A 27 27 SER HA H 27 4.134 4.171 -0.037 1
1 286 . 13 1 1 A 27 27 SER C C 27 177.449 177.447 0.002 1
1 287 . 13 1 1 A 27 27 SER CA C 27 61.544 61.105 0.439 1
1 288 . 13 1 1 A 27 27 SER CB C 27 62.828 62.833 -0.005 1
1 289 . 13 1 1 A 27 27 SER N N 27 111.668 114.934 -3.266 1
1 290 . 13 1 1 A 28 28 LEU H H 28 7.625 7.673 -0.048 1
1 291 . 13 1 1 A 28 28 LEU HA H 28 4.117 4.008 0.109 1
1 301 . 13 1 1 A 28 28 LEU C C 28 179.076 178.664 0.412 1
1 302 . 13 1 1 A 28 28 LEU CA C 28 57.336 57.430 -0.094 1
1 303 . 13 1 1 A 28 28 LEU CB C 28 41.585 41.483 0.102 1
1 307 . 13 1 1 A 28 28 LEU N N 28 123.121 121.363 1.758 1
1 308 . 13 1 1 A 29 29 LEU H H 29 7.391 7.258 0.133 1
1 309 . 13 1 1 A 29 29 LEU HA H 29 4.276 4.066 0.210 1
1 319 . 13 1 1 A 29 29 LEU C C 29 177.606 177.872 -0.266 1
1 320 . 13 1 1 A 29 29 LEU CA C 29 54.243 55.870 -1.627 1
1 321 . 13 1 1 A 29 29 LEU CB C 29 41.665 42.150 -0.485 1
1 325 . 13 1 1 A 29 29 LEU N N 29 119.910 119.365 0.545 1
1 326 . 13 1 1 A 30 30 ALA H H 30 7.242 8.392 -1.150 1
1 327 . 13 1 1 A 30 30 ALA HA H 30 3.505 3.934 -0.429 1
1 331 . 13 1 1 A 30 30 ALA C C 30 179.568 179.549 0.019 1
1 332 . 13 1 1 A 30 30 ALA CA C 30 56.470 55.422 1.048 1
1 333 . 13 1 1 A 30 30 ALA CB C 30 18.818 18.648 0.170 1
1 334 . 13 1 1 A 30 30 ALA N N 30 122.470 122.160 0.310 1
1 335 . 13 1 1 A 31 31 ARG H H 31 8.256 7.841 0.415 1
1 336 . 13 1 1 A 31 31 ARG HA H 31 4.142 4.083 0.059 1
1 343 . 13 1 1 A 31 31 ARG C C 31 179.303 178.250 1.053 1
1 344 . 13 1 1 A 31 31 ARG CA C 31 58.917 58.918 -0.001 1
1 345 . 13 1 1 A 31 31 ARG CB C 31 29.407 30.171 -0.764 1
1 348 . 13 1 1 A 31 31 ARG N N 31 116.240 117.181 -0.941 1
1 349 . 13 1 1 A 32 32 ASP H H 32 8.205 8.121 0.084 1
1 350 . 13 1 1 A 32 32 ASP HA H 32 4.334 4.343 -0.009 1
1 353 . 13 1 1 A 32 32 ASP C C 32 177.470 178.547 -1.077 1
1 354 . 13 1 1 A 32 32 ASP CA C 32 57.336 56.972 0.364 1
1 355 . 13 1 1 A 32 32 ASP CB C 32 41.582 40.884 0.698 1
1 356 . 13 1 1 A 32 32 ASP N N 32 120.398 120.236 0.162 1
1 357 . 13 1 1 A 33 33 LEU H H 33 7.933 8.251 -0.318 1
1 358 . 13 1 1 A 33 33 LEU HA H 33 4.206 4.169 0.037 1
1 368 . 13 1 1 A 33 33 LEU C C 33 175.261 176.112 -0.851 1
1 369 . 13 1 1 A 33 33 LEU CA C 33 53.700 55.110 -1.410 1
1 370 . 13 1 1 A 33 33 LEU CB C 33 41.306 42.042 -0.736 1
1 374 . 13 1 1 A 33 33 LEU N N 33 113.338 118.107 -4.769 1
1 375 . 13 1 1 A 34 34 ASN H H 34 7.688 7.972 -0.284 1
1 376 . 13 1 1 A 34 34 ASN HA H 34 4.307 4.717 -0.410 1
1 381 . 13 1 1 A 34 34 ASN C C 34 175.092 174.283 0.809 1
1 382 . 13 1 1 A 34 34 ASN CA C 34 53.960 54.105 -0.145 1
1 383 . 13 1 1 A 34 34 ASN CB C 34 37.073 37.112 -0.039 1
1 384 . 13 1 1 A 34 34 ASN N N 34 116.912 117.891 -0.979 1
1 386 . 13 1 1 A 35 35 LEU H H 35 8.177 8.034 0.143 1
1 387 . 13 1 1 A 35 35 LEU HA H 35 4.008 4.374 -0.366 1
1 397 . 13 1 1 A 35 35 LEU C C 35 177.637 176.479 1.158 1
1 398 . 13 1 1 A 35 35 LEU CA C 35 54.233 55.092 -0.859 1
1 399 . 13 1 1 A 35 35 LEU CB C 35 41.024 42.469 -1.445 1
1 403 . 13 1 1 A 35 35 LEU N N 35 115.363 120.094 -4.731 1
1 404 . 13 1 1 A 36 36 GLU H H 36 8.419 9.146 -0.727 1
1 405 . 13 1 1 A 36 36 GLU HA H 36 4.175 4.558 -0.383 1
1 410 . 13 1 1 A 36 36 GLU C C 36 177.626 177.525 0.101 1
1 411 . 13 1 1 A 36 36 GLU CA C 36 56.872 55.565 1.307 1
1 412 . 13 1 1 A 36 36 GLU CB C 36 29.675 29.367 0.308 1
1 414 . 13 1 1 A 36 36 GLU N N 36 122.591 121.417 1.174 1
1 415 . 13 1 1 A 37 37 ARG H H 37 8.577 8.717 -0.140 1
1 416 . 13 1 1 A 37 37 ARG HA H 37 3.889 4.062 -0.173 1
1 423 . 13 1 1 A 37 37 ARG C C 37 178.119 177.715 0.404 1
1 424 . 13 1 1 A 37 37 ARG CA C 37 58.924 59.056 -0.132 1
1 425 . 13 1 1 A 37 37 ARG CB C 37 30.074 29.716 0.358 1
1 428 . 13 1 1 A 37 37 ARG N N 37 124.790 124.799 -0.009 1
1 429 . 13 1 1 A 38 38 ASP H H 38 8.623 7.801 0.822 1
1 430 . 13 1 1 A 38 38 ASP HA H 38 4.591 4.542 0.049 1
1 433 . 13 1 1 A 38 38 ASP C C 38 176.021 177.316 -1.295 1
1 434 . 13 1 1 A 38 38 ASP CA C 38 55.073 56.336 -1.263 1
1 435 . 13 1 1 A 38 38 ASP CB C 38 40.722 41.373 -0.651 1
1 436 . 13 1 1 A 38 38 ASP N N 38 116.313 119.866 -3.553 1
1 437 . 13 1 1 A 39 39 ASN H H 39 7.668 7.875 -0.207 1
1 438 . 13 1 1 A 39 39 ASN HA H 39 4.936 5.046 -0.110 1
1 443 . 13 1 1 A 39 39 ASN C C 39 175.702 175.583 0.119 1
1 444 . 13 1 1 A 39 39 ASN CA C 39 52.626 52.782 -0.156 1
1 445 . 13 1 1 A 39 39 ASN CB C 39 38.966 39.208 -0.242 1
1 446 . 13 1 1 A 39 39 ASN N N 39 116.330 115.838 0.492 1
1 448 . 13 1 1 A 40 40 GLN H H 40 8.324 7.897 0.427 1
1 449 . 13 1 1 A 40 40 GLN HA H 40 4.285 4.393 -0.108 1
1 456 . 13 1 1 A 40 40 GLN C C 40 178.897 178.618 0.279 1
1 457 . 13 1 1 A 40 40 GLN CA C 40 58.513 57.869 0.644 1
1 458 . 13 1 1 A 40 40 GLN CB C 40 29.225 28.349 0.876 1
1 460 . 13 1 1 A 40 40 GLN N N 40 119.556 119.167 0.389 1
1 462 . 13 1 1 A 41 41 GLU H H 41 8.956 8.154 0.802 1
1 463 . 13 1 1 A 41 41 GLU HA H 41 3.950 4.186 -0.236 1
1 468 . 13 1 1 A 41 41 GLU C C 41 176.712 179.187 -2.475 1
1 469 . 13 1 1 A 41 41 GLU CA C 41 58.716 59.240 -0.524 1
1 470 . 13 1 1 A 41 41 GLU CB C 41 29.124 29.625 -0.501 1
1 472 . 13 1 1 A 41 41 GLU N N 41 121.919 120.680 1.239 1
1 473 . 13 1 1 A 42 42 GLN H H 42 7.634 8.037 -0.403 1
1 474 . 13 1 1 A 42 42 GLN HA H 42 4.052 4.125 -0.073 1
1 481 . 13 1 1 A 42 42 GLN C C 42 176.286 176.173 0.113 1
1 482 . 13 1 1 A 42 42 GLN CA C 42 56.859 58.047 -1.188 1
1 483 . 13 1 1 A 42 42 GLN CB C 42 28.418 27.793 0.625 1
1 485 . 13 1 1 A 42 42 GLN N N 42 114.515 117.798 -3.283 1
1 487 . 13 1 1 A 43 43 TYR H H 43 6.692 7.715 -1.023 1
1 488 . 13 1 1 A 43 43 TYR HA H 43 4.866 4.708 0.158 1
1 495 . 13 1 1 A 43 43 TYR C C 43 177.063 175.558 1.505 1
1 496 . 13 1 1 A 43 43 TYR CA C 43 58.627 58.419 0.208 1
1 497 . 13 1 1 A 43 43 TYR CB C 43 39.628 39.383 0.245 1
1 502 . 13 1 1 A 43 43 TYR N N 43 116.167 120.026 -3.859 1
1 503 . 13 1 1 A 44 44 THR H H 44 8.785 8.736 0.049 1
1 504 . 13 1 1 A 44 44 THR HA H 44 4.800 5.002 -0.202 1
1 509 . 13 1 1 A 44 44 THR C C 44 176.061 175.573 0.488 1
1 510 . 13 1 1 A 44 44 THR CA C 44 60.519 59.951 0.568 1
1 511 . 13 1 1 A 44 44 THR CB C 44 71.926 72.208 -0.282 1
1 513 . 13 1 1 A 44 44 THR N N 44 116.779 111.312 5.467 1
1 514 . 13 1 1 A 45 45 THR H H 45 8.849 8.632 0.217 1
1 515 . 13 1 1 A 45 45 THR HA H 45 3.626 3.821 -0.195 1
1 520 . 13 1 1 A 45 45 THR C C 45 176.458 176.221 0.237 1
1 521 . 13 1 1 A 45 45 THR CA C 45 65.716 65.728 -0.012 1
1 522 . 13 1 1 A 45 45 THR CB C 45 67.141 67.970 -0.829 1
1 524 . 13 1 1 A 45 45 THR N N 45 112.579 115.163 -2.584 1
1 525 . 13 1 1 A 46 46 ILE H H 46 7.144 7.732 -0.588 1
1 526 . 13 1 1 A 46 46 ILE HA H 46 3.803 3.709 0.094 1
1 536 . 13 1 1 A 46 46 ILE C C 46 177.573 177.915 -0.342 1
1 537 . 13 1 1 A 46 46 ILE CA C 46 64.078 65.207 -1.129 1
1 538 . 13 1 1 A 46 46 ILE CB C 46 38.733 37.563 1.170 1
1 542 . 13 1 1 A 46 46 ILE N N 46 119.409 123.172 -3.763 1
1 543 . 13 1 1 A 47 47 GLN H H 47 7.552 7.924 -0.372 1
1 544 . 13 1 1 A 47 47 GLN HA H 47 4.124 4.014 0.110 1
1 551 . 13 1 1 A 47 47 GLN C C 47 179.640 178.830 0.810 1
1 552 . 13 1 1 A 47 47 GLN CA C 47 59.282 59.093 0.189 1
1 553 . 13 1 1 A 47 47 GLN CB C 47 29.242 28.459 0.783 1
1 555 . 13 1 1 A 47 47 GLN N N 47 119.564 118.601 0.963 1
1 557 . 13 1 1 A 48 48 ILE H H 48 8.520 8.150 0.370 1
1 558 . 13 1 1 A 48 48 ILE HA H 48 3.861 3.663 0.198 1
1 568 . 13 1 1 A 48 48 ILE C C 48 177.779 177.977 -0.198 1
1 569 . 13 1 1 A 48 48 ILE CA C 48 61.208 65.293 -4.085 1
1 570 . 13 1 1 A 48 48 ILE CB C 48 34.654 37.995 -3.341 1
1 574 . 13 1 1 A 48 48 ILE N N 48 118.052 121.298 -3.246 1
1 575 . 13 1 1 A 49 49 ALA H H 49 8.826 8.304 0.522 1
1 576 . 13 1 1 A 49 49 ALA HA H 49 4.071 4.142 -0.071 1
1 580 . 13 1 1 A 49 49 ALA C C 49 179.849 180.030 -0.181 1
1 581 . 13 1 1 A 49 49 ALA CA C 49 55.909 55.546 0.363 1
1 582 . 13 1 1 A 49 49 ALA CB C 49 18.289 18.493 -0.204 1
1 583 . 13 1 1 A 49 49 ALA N N 49 123.182 122.261 0.921 1
1 584 . 13 1 1 A 50 50 ASN H H 50 8.319 8.202 0.117 1
1 585 . 13 1 1 A 50 50 ASN HA H 50 4.517 4.411 0.106 1
1 590 . 13 1 1 A 50 50 ASN CA C 50 56.309 56.675 -0.366 1
1 591 . 13 1 1 A 50 50 ASN CB C 50 38.198 38.019 0.179 1
1 592 . 13 1 1 A 50 50 ASN N N 50 116.379 117.450 -1.071 1
1 594 . 13 1 1 A 51 51 MET H H 51 8.233 8.071 0.162 1
1 595 . 13 1 1 A 51 51 MET HA H 51 4.132 4.066 0.066 1
1 603 . 13 1 1 A 51 51 MET CA C 51 59.312 58.574 0.738 1
1 604 . 13 1 1 A 51 51 MET CB C 51 34.763 32.265 2.498 1
1 607 . 13 1 1 A 51 51 MET N N 51 119.934 118.526 1.408 1
1 608 . 13 1 1 A 52 52 MET H H 52 8.926 8.085 0.841 1
1 609 . 13 1 1 A 52 52 MET HA H 52 3.874 4.311 -0.437 1
1 617 . 13 1 1 A 52 52 MET C C 52 177.228 178.901 -1.673 1
1 618 . 13 1 1 A 52 52 MET CA C 52 60.218 58.611 1.607 1
1 619 . 13 1 1 A 52 52 MET CB C 52 33.427 33.312 0.115 1
1 622 . 13 1 1 A 52 52 MET N N 52 120.686 118.921 1.765 1
1 623 . 13 1 1 A 53 53 GLU H H 53 8.111 8.463 -0.352 1
1 624 . 13 1 1 A 53 53 GLU HA H 53 3.863 4.052 -0.189 1
1 629 . 13 1 1 A 53 53 GLU C C 53 177.640 178.603 -0.963 1
1 630 . 13 1 1 A 53 53 GLU CA C 53 59.847 59.858 -0.011 1
1 631 . 13 1 1 A 53 53 GLU CB C 53 29.778 29.390 0.388 1
1 633 . 13 1 1 A 53 53 GLU N N 53 119.207 119.527 -0.320 1
1 634 . 13 1 1 A 54 54 GLU H H 54 7.030 7.962 -0.932 1
1 635 . 13 1 1 A 54 54 GLU HA H 54 4.014 4.083 -0.069 1
1 640 . 13 1 1 A 54 54 GLU C C 54 178.008 178.694 -0.686 1
1 641 . 13 1 1 A 54 54 GLU CA C 54 58.211 59.333 -1.122 1
1 642 . 13 1 1 A 54 54 GLU CB C 54 30.149 29.219 0.930 1
1 644 . 13 1 1 A 54 54 GLU N N 54 115.049 118.876 -3.827 1
1 645 . 13 1 1 A 55 55 LYS H H 55 7.670 7.823 -0.153 1
1 646 . 13 1 1 A 55 55 LYS HA H 55 3.930 3.862 0.068 1
1 655 . 13 1 1 A 55 55 LYS C C 55 175.986 176.437 -0.451 1
1 656 . 13 1 1 A 55 55 LYS CA C 55 56.405 58.724 -2.319 1
1 657 . 13 1 1 A 55 55 LYS CB C 55 32.705 31.943 0.762 1
1 661 . 13 1 1 A 55 55 LYS N N 55 117.040 120.068 -3.028 1
1 662 . 13 1 1 A 56 56 PHE H H 56 8.079 8.263 -0.184 1
1 663 . 13 1 1 A 56 56 PHE HA H 56 5.215 5.014 0.201 1
1 671 . 13 1 1 A 56 56 PHE CA C 56 53.965 55.028 -1.063 1
1 672 . 13 1 1 A 56 56 PHE CB C 56 38.759 38.846 -0.087 1
1 678 . 13 1 1 A 56 56 PHE N N 56 117.341 116.363 0.978 1
1 679 . 13 1 1 A 57 57 PRO HA H 57 4.514 4.599 -0.085 1
1 686 . 13 1 1 A 57 57 PRO CA C 57 64.818 64.171 0.647 1
1 687 . 13 1 1 A 57 57 PRO CB C 57 32.192 31.980 0.212 1
1 690 . 13 1 1 A 58 58 ALA H H 58 8.619 8.324 0.295 1
1 691 . 13 1 1 A 58 58 ALA HA H 58 4.206 4.110 0.096 1
1 695 . 13 1 1 A 58 58 ALA CA C 58 55.406 55.300 0.106 1
1 696 . 13 1 1 A 58 58 ALA CB C 58 18.353 18.654 -0.301 1
1 697 . 13 1 1 A 58 58 ALA N N 58 120.173 121.110 -0.937 1
1 698 . 13 1 1 A 59 59 ASP H H 59 7.515 7.794 -0.279 1
1 699 . 13 1 1 A 59 59 ASP HA H 59 4.810 4.832 -0.022 1
1 702 . 13 1 1 A 59 59 ASP CA C 59 52.659 53.131 -0.472 1
1 703 . 13 1 1 A 59 59 ASP CB C 59 41.778 41.887 -0.109 1
1 704 . 13 1 1 A 59 59 ASP N N 59 113.536 115.427 -1.891 1
1 705 . 13 1 1 A 60 60 SER H H 60 8.392 8.436 -0.044 1
1 706 . 13 1 1 A 60 60 SER HA H 60 4.176 4.648 -0.472 1
1 709 . 13 1 1 A 60 60 SER CA C 60 60.221 59.568 0.653 1
1 710 . 13 1 1 A 60 60 SER CB C 60 62.050 61.681 0.369 1
1 711 . 13 1 1 A 60 60 SER N N 60 113.717 112.908 0.809 1
1 712 . 13 1 1 A 61 61 GLY H H 61 8.299 8.499 -0.200 1
1 713 . 13 1 1 A 61 61 GLY HA2 H 61 4.005 4.015 -0.010 1
1 714 . 13 1 1 A 61 61 GLY HA3 H 61 3.502 4.104 -0.602 1
1 715 . 13 1 1 A 61 61 GLY CA C 61 45.554 45.171 0.383 1
1 716 . 13 1 1 A 61 61 GLY N N 61 104.225 106.788 -2.563 1
1 717 . 13 1 1 A 62 62 LEU H H 62 7.927 7.924 0.003 1
1 718 . 13 1 1 A 62 62 LEU HA H 62 3.915 4.028 -0.113 1
1 728 . 13 1 1 A 62 62 LEU CA C 62 58.075 57.867 0.208 1
1 729 . 13 1 1 A 62 62 LEU CB C 62 41.731 42.063 -0.332 1
1 733 . 13 1 1 A 62 62 LEU N N 62 122.094 122.770 -0.676 1
1 734 . 13 1 1 A 63 63 GLY H H 63 8.566 8.110 0.456 1
1 735 . 13 1 1 A 63 63 GLY HA2 H 63 3.847 3.685 0.162 1
1 736 . 13 1 1 A 63 63 GLY HA3 H 63 3.592 3.686 -0.094 1
1 737 . 13 1 1 A 63 63 GLY CA C 63 47.146 47.058 0.088 1
1 738 . 13 1 1 A 63 63 GLY N N 63 105.732 106.549 -0.817 1
1 739 . 13 1 1 A 64 64 LYS H H 64 7.509 8.202 -0.693 1
1 740 . 13 1 1 A 64 64 LYS HA H 64 4.115 3.972 0.143 1
1 749 . 13 1 1 A 64 64 LYS C C 64 179.856 179.035 0.821 1
1 750 . 13 1 1 A 64 64 LYS CA C 64 57.768 59.153 -1.385 1
1 751 . 13 1 1 A 64 64 LYS CB C 64 31.542 32.075 -0.533 1
1 755 . 13 1 1 A 64 64 LYS N N 64 120.697 121.982 -1.285 1
1 756 . 13 1 1 A 65 65 LEU H H 65 7.544 7.962 -0.418 1
1 757 . 13 1 1 A 65 65 LEU HA H 65 4.219 3.494 0.725 1
1 767 . 13 1 1 A 65 65 LEU C C 65 178.606 178.388 0.218 1
1 768 . 13 1 1 A 65 65 LEU CA C 65 57.675 57.861 -0.186 1
1 769 . 13 1 1 A 65 65 LEU CB C 65 41.040 41.587 -0.547 1
1 773 . 13 1 1 A 65 65 LEU N N 65 120.399 120.601 -0.202 1
1 774 . 13 1 1 A 66 66 ILE H H 66 8.605 7.801 0.804 1
1 775 . 13 1 1 A 66 66 ILE HA H 66 3.271 3.618 -0.347 1
1 785 . 13 1 1 A 66 66 ILE C C 66 176.721 177.868 -1.147 1
1 786 . 13 1 1 A 66 66 ILE CA C 66 67.612 65.269 2.343 1
1 787 . 13 1 1 A 66 66 ILE CB C 66 38.006 37.588 0.418 1
1 791 . 13 1 1 A 66 66 ILE N N 66 121.170 119.768 1.402 1
1 792 . 13 1 1 A 67 67 GLU H H 67 8.157 7.863 0.294 1
1 793 . 13 1 1 A 67 67 GLU HA H 67 4.007 3.948 0.059 1
1 798 . 13 1 1 A 67 67 GLU C C 67 178.848 179.047 -0.199 1
1 799 . 13 1 1 A 67 67 GLU CA C 67 59.476 59.703 -0.227 1
1 800 . 13 1 1 A 67 67 GLU CB C 67 30.055 29.457 0.598 1
1 802 . 13 1 1 A 67 67 GLU N N 67 118.066 119.101 -1.035 1
1 803 . 13 1 1 A 68 68 PHE H H 68 7.673 8.216 -0.543 1
1 804 . 13 1 1 A 68 68 PHE HA H 68 4.393 4.051 0.342 1
1 812 . 13 1 1 A 68 68 PHE C C 68 176.609 177.601 -0.992 1
1 813 . 13 1 1 A 68 68 PHE CA C 68 60.660 61.642 -0.982 1
1 814 . 13 1 1 A 68 68 PHE CB C 68 39.666 39.383 0.283 1
1 820 . 13 1 1 A 68 68 PHE N N 68 119.383 120.715 -1.332 1
1 821 . 13 1 1 A 69 69 CYS H H 69 8.137 7.845 0.292 1
1 822 . 13 1 1 A 69 69 CYS HA H 69 3.714 3.677 0.037 1
1 825 . 13 1 1 A 69 69 CYS C C 69 175.221 177.276 -2.055 1
1 826 . 13 1 1 A 69 69 CYS CA C 69 62.782 63.611 -0.829 1
1 827 . 13 1 1 A 69 69 CYS CB C 69 26.732 26.734 -0.002 1
1 828 . 13 1 1 A 69 69 CYS N N 69 115.218 116.501 -1.283 1
1 829 . 13 1 1 A 70 70 GLU H H 70 8.108 8.069 0.039 1
1 830 . 13 1 1 A 70 70 GLU HA H 70 3.739 3.925 -0.186 1
1 835 . 13 1 1 A 70 70 GLU C C 70 178.404 179.058 -0.654 1
1 836 . 13 1 1 A 70 70 GLU CA C 70 58.839 59.529 -0.690 1
1 837 . 13 1 1 A 70 70 GLU CB C 70 30.149 29.172 0.977 1
1 839 . 13 1 1 A 70 70 GLU N N 70 113.937 119.714 -5.777 1
1 840 . 13 1 1 A 71 71 GLU H H 71 7.306 7.414 -0.108 1
1 841 . 13 1 1 A 71 71 GLU HA H 71 4.148 4.060 0.088 1
1 846 . 13 1 1 A 71 71 GLU C C 71 176.363 177.568 -1.205 1
1 847 . 13 1 1 A 71 71 GLU CA C 71 56.943 59.040 -2.097 1
1 848 . 13 1 1 A 71 71 GLU CB C 71 30.374 29.299 1.075 1
1 850 . 13 1 1 A 71 71 GLU N N 71 117.591 120.258 -2.667 1
1 851 . 13 1 1 A 72 72 VAL H H 72 7.055 7.222 -0.167 1
1 852 . 13 1 1 A 72 72 VAL HA H 72 4.220 4.076 0.144 1
1 860 . 13 1 1 A 72 72 VAL C C 72 174.906 175.784 -0.878 1
1 861 . 13 1 1 A 72 72 VAL CA C 72 59.360 60.002 -0.642 1
1 862 . 13 1 1 A 72 72 VAL CB C 72 33.462 31.566 1.896 1
1 865 . 13 1 1 A 72 72 VAL N N 72 122.531 120.235 2.296 1
1 866 . 13 1 1 A 73 73 PRO HA H 73 3.887 4.427 -0.540 1
1 873 . 13 1 1 A 73 73 PRO C C 73 179.162 177.413 1.749 1
1 874 . 13 1 1 A 73 73 PRO CA C 73 66.658 64.508 2.150 1
1 875 . 13 1 1 A 73 73 PRO CB C 73 31.819 31.865 -0.046 1
1 878 . 13 1 1 A 74 74 ALA H H 74 8.188 8.181 0.007 1
1 879 . 13 1 1 A 74 74 ALA HA H 74 4.217 4.178 0.039 1
1 883 . 13 1 1 A 74 74 ALA C C 74 178.535 178.388 0.147 1
1 884 . 13 1 1 A 74 74 ALA CA C 74 54.149 54.204 -0.055 1
1 885 . 13 1 1 A 74 74 ALA CB C 74 19.305 18.532 0.773 1
1 886 . 13 1 1 A 74 74 ALA N N 74 116.317 119.598 -3.281 1
1 887 . 13 1 1 A 75 75 LEU H H 75 8.188 7.496 0.692 1
1 888 . 13 1 1 A 75 75 LEU HA H 75 4.607 4.174 0.433 1
1 898 . 13 1 1 A 75 75 LEU C C 75 177.094 178.278 -1.184 1
1 899 . 13 1 1 A 75 75 LEU CA C 75 53.645 56.055 -2.410 1
1 900 . 13 1 1 A 75 75 LEU CB C 75 42.633 42.010 0.623 1
1 904 . 13 1 1 A 75 75 LEU N N 75 116.296 116.588 -0.292 1
1 905 . 13 1 1 A 76 76 ARG H H 76 7.332 8.130 -0.798 1
1 906 . 13 1 1 A 76 76 ARG HA H 76 3.789 3.872 -0.083 1
1 913 . 13 1 1 A 76 76 ARG C C 76 179.457 178.803 0.654 1
1 914 . 13 1 1 A 76 76 ARG CA C 76 60.815 60.064 0.751 1
1 915 . 13 1 1 A 76 76 ARG CB C 76 29.535 29.947 -0.412 1
1 918 . 13 1 1 A 76 76 ARG N N 76 122.654 119.082 3.572 1
1 919 . 13 1 1 A 77 77 LYS H H 77 8.489 7.971 0.518 1
1 920 . 13 1 1 A 77 77 LYS HA H 77 4.118 3.939 0.179 1
1 929 . 13 1 1 A 77 77 LYS C C 77 179.135 179.015 0.120 1
1 930 . 13 1 1 A 77 77 LYS CA C 77 58.963 59.609 -0.646 1
1 931 . 13 1 1 A 77 77 LYS CB C 77 31.113 32.352 -1.239 1
1 935 . 13 1 1 A 77 77 LYS N N 77 119.343 119.516 -0.173 1
1 936 . 13 1 1 A 78 78 ARG H H 78 7.626 8.315 -0.689 1
1 937 . 13 1 1 A 78 78 ARG HA H 78 3.931 4.064 -0.133 1
1 944 . 13 1 1 A 78 78 ARG C C 78 178.200 179.162 -0.962 1
1 945 . 13 1 1 A 78 78 ARG CA C 78 56.415 59.078 -2.663 1
1 946 . 13 1 1 A 78 78 ARG CB C 78 27.010 30.191 -3.181 1
1 949 . 13 1 1 A 78 78 ARG N N 78 120.202 119.182 1.020 1
1 950 . 13 1 1 A 79 79 ALA H H 79 8.138 7.963 0.175 1
1 951 . 13 1 1 A 79 79 ALA HA H 79 3.837 4.034 -0.197 1
1 955 . 13 1 1 A 79 79 ALA C C 79 178.684 179.835 -1.151 1
1 956 . 13 1 1 A 79 79 ALA CA C 79 55.692 55.447 0.245 1
1 957 . 13 1 1 A 79 79 ALA CB C 79 18.376 18.691 -0.315 1
1 958 . 13 1 1 A 79 79 ALA N N 79 120.388 122.050 -1.662 1
1 959 . 13 1 1 A 80 80 GLU H H 80 7.437 8.014 -0.577 1
1 960 . 13 1 1 A 80 80 GLU HA H 80 3.877 4.080 -0.203 1
1 965 . 13 1 1 A 80 80 GLU C C 80 179.640 178.806 0.834 1
1 966 . 13 1 1 A 80 80 GLU CA C 80 59.370 59.133 0.237 1
1 967 . 13 1 1 A 80 80 GLU CB C 80 29.445 29.433 0.012 1
1 969 . 13 1 1 A 80 80 GLU N N 80 115.384 116.578 -1.194 1
1 970 . 13 1 1 A 81 81 ILE H H 81 7.721 7.402 0.319 1
1 971 . 13 1 1 A 81 81 ILE HA H 81 3.675 3.626 0.049 1
1 981 . 13 1 1 A 81 81 ILE C C 81 178.179 178.435 -0.256 1
1 982 . 13 1 1 A 81 81 ILE CA C 81 65.187 65.569 -0.382 1
1 983 . 13 1 1 A 81 81 ILE CB C 81 38.471 37.609 0.862 1
1 987 . 13 1 1 A 81 81 ILE N N 81 121.563 121.359 0.204 1
1 988 . 13 1 1 A 82 82 LEU H H 82 8.374 8.503 -0.129 1
1 989 . 13 1 1 A 82 82 LEU HA H 82 3.930 3.863 0.067 1
1 999 . 13 1 1 A 82 82 LEU C C 82 179.279 179.226 0.053 1
1 1000 . 13 1 1 A 82 82 LEU CA C 82 58.038 58.197 -0.159 1
1 1001 . 13 1 1 A 82 82 LEU CB C 82 42.869 41.217 1.652 1
1 1005 . 13 1 1 A 82 82 LEU N N 82 119.839 120.130 -0.291 1
1 1006 . 13 1 1 A 83 83 LYS H H 83 8.153 8.080 0.073 1
1 1007 . 13 1 1 A 83 83 LYS HA H 83 3.740 3.820 -0.080 1
1 1016 . 13 1 1 A 83 83 LYS C C 83 179.548 178.757 0.791 1
1 1017 . 13 1 1 A 83 83 LYS CA C 83 60.433 60.427 0.006 1
1 1018 . 13 1 1 A 83 83 LYS CB C 83 32.703 32.229 0.474 1
1 1022 . 13 1 1 A 83 83 LYS N N 83 117.092 117.749 -0.657 1
1 1023 . 13 1 1 A 84 84 LYS H H 84 7.705 7.777 -0.072 1
1 1024 . 13 1 1 A 84 84 LYS HA H 84 4.101 3.916 0.185 1
1 1033 . 13 1 1 A 84 84 LYS C C 84 179.082 179.202 -0.120 1
1 1034 . 13 1 1 A 84 84 LYS CA C 84 59.120 59.707 -0.587 1
1 1035 . 13 1 1 A 84 84 LYS CB C 84 32.291 32.374 -0.083 1
1 1039 . 13 1 1 A 84 84 LYS N N 84 121.473 120.422 1.051 1
1 1040 . 13 1 1 A 85 85 GLU H H 85 8.567 7.712 0.855 1
1 1041 . 13 1 1 A 85 85 GLU HA H 85 4.013 4.114 -0.101 1
1 1046 . 13 1 1 A 85 85 GLU CA C 85 59.360 59.259 0.101 1
1 1047 . 13 1 1 A 85 85 GLU CB C 85 30.033 29.465 0.568 1
1 1049 . 13 1 1 A 85 85 GLU N N 85 119.645 118.354 1.291 1
1 1050 . 13 1 1 A 86 86 ARG H H 86 8.467 8.514 -0.047 1
1 1051 . 13 1 1 A 86 86 ARG HA H 86 4.030 4.033 -0.003 1
1 1058 . 13 1 1 A 86 86 ARG C C 86 177.790 177.517 0.273 1
1 1059 . 13 1 1 A 86 86 ARG CA C 86 58.556 58.988 -0.432 1
1 1060 . 13 1 1 A 86 86 ARG CB C 86 30.377 29.852 0.525 1
1 1063 . 13 1 1 A 86 86 ARG N N 86 119.408 121.157 -1.749 1
1 1064 . 13 1 1 A 87 87 SER H H 87 7.851 7.987 -0.136 1
1 1065 . 13 1 1 A 87 87 SER HA H 87 4.369 4.432 -0.063 1
1 1068 . 13 1 1 A 87 87 SER C C 87 175.282 173.916 1.366 1
1 1069 . 13 1 1 A 87 87 SER CA C 87 60.271 57.863 2.408 1
1 1070 . 13 1 1 A 87 87 SER CB C 87 63.601 62.958 0.643 1
1 1071 . 13 1 1 A 87 87 SER N N 87 115.071 114.753 0.318 1
1 1072 . 13 1 1 A 88 88 GLU H H 88 7.891 8.249 -0.358 1
1 1073 . 13 1 1 A 88 88 GLU HA H 88 4.316 4.574 -0.258 1
1 1078 . 13 1 1 A 88 88 GLU C C 88 176.801 177.841 -1.040 1
1 1079 . 13 1 1 A 88 88 GLU CA C 88 57.036 57.166 -0.130 1
1 1080 . 13 1 1 A 88 88 GLU CB C 88 30.024 31.244 -1.220 1
1 1082 . 13 1 1 A 88 88 GLU N N 88 121.067 127.149 -6.082 1
1 1083 . 13 1 1 A 89 89 SER H H 89 7.934 8.310 -0.376 1
1 1084 . 13 1 1 A 89 89 SER HA H 89 4.503 4.435 0.068 1
1 1087 . 13 1 1 A 89 89 SER C C 89 174.624 174.571 0.053 1
1 1088 . 13 1 1 A 89 89 SER CA C 89 58.875 59.999 -1.124 1
1 1089 . 13 1 1 A 89 89 SER CB C 89 64.040 64.232 -0.192 1
1 1090 . 13 1 1 A 89 89 SER N N 89 115.241 112.718 2.523 1
1 1091 . 13 1 1 A 90 90 GLY H H 90 8.062 7.297 0.765 1
1 1092 . 13 1 1 A 90 90 GLY HA2 H 90 4.210 4.048 0.162 1
1 1093 . 13 1 1 A 90 90 GLY HA3 H 90 4.083 4.049 0.034 1
1 1094 . 13 1 1 A 90 90 GLY C C 90 171.774 173.902 -2.128 1
1 1095 . 13 1 1 A 90 90 GLY CA C 90 44.872 44.463 0.409 1
1 1096 . 13 1 1 A 90 90 GLY N N 90 110.384 105.202 5.182 1
1 1097 . 13 1 1 A 91 91 PRO HA H 91 4.495 4.565 -0.070 1
1 1104 . 13 1 1 A 91 91 PRO C C 91 177.475 176.350 1.125 1
1 1105 . 13 1 1 A 91 91 PRO CA C 91 63.295 63.443 -0.148 1
1 1106 . 13 1 1 A 91 91 PRO CB C 91 32.234 31.984 0.250 1
1 1109 . 13 1 1 A 92 92 SER H H 92 8.557 7.928 0.629 1
1 1110 . 13 1 1 A 92 92 SER HA H 92 4.575 4.256 0.319 1
1 1113 . 13 1 1 A 92 92 SER C C 92 174.736 174.804 -0.068 1
1 1114 . 13 1 1 A 92 92 SER CA C 92 58.380 60.743 -2.363 1
1 1115 . 13 1 1 A 92 92 SER CB C 92 64.221 63.753 0.468 1
1 1 . 14 1 1 A 6 6 SER H H 6 8.063 8.379 -0.316 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.493 4.836 -0.343 1
1 5 . 14 1 1 A 6 6 SER CA C 6 59.071 56.604 2.467 1
1 6 . 14 1 1 A 6 6 SER CB C 6 63.626 62.681 0.945 1
1 7 . 14 1 1 A 7 7 GLY H H 7 8.424 8.061 0.363 1
1 8 . 14 1 1 A 7 7 GLY HA2 H 7 3.985 3.927 0.058 1
1 9 . 14 1 1 A 7 7 GLY HA3 H 7 3.834 3.928 -0.094 1
1 10 . 14 1 1 A 7 7 GLY CA C 7 47.092 46.305 0.787 1
1 11 . 14 1 1 A 7 7 GLY N N 7 109.548 109.933 -0.385 1
1 12 . 14 1 1 A 8 8 ILE H H 8 7.565 7.636 -0.071 1
1 13 . 14 1 1 A 8 8 ILE HA H 8 3.883 4.779 -0.896 1
1 23 . 14 1 1 A 8 8 ILE CA C 8 63.805 60.154 3.651 1
1 24 . 14 1 1 A 8 8 ILE CB C 8 37.866 39.876 -2.010 1
1 28 . 14 1 1 A 8 8 ILE N N 8 123.348 120.968 2.380 1
1 29 . 14 1 1 A 9 9 VAL H H 9 7.538 8.339 -0.801 1
1 30 . 14 1 1 A 9 9 VAL HA H 9 3.471 4.526 -1.055 1
1 38 . 14 1 1 A 9 9 VAL CA C 9 66.382 60.432 5.950 1
1 39 . 14 1 1 A 9 9 VAL CB C 9 31.755 33.909 -2.154 1
1 42 . 14 1 1 A 9 9 VAL N N 9 121.471 122.724 -1.253 1
1 43 . 14 1 1 A 10 10 LEU H H 10 7.941 8.928 -0.987 1
1 44 . 14 1 1 A 10 10 LEU HA H 10 3.848 3.964 -0.116 1
1 54 . 14 1 1 A 10 10 LEU CA C 10 58.619 57.778 0.841 1
1 55 . 14 1 1 A 10 10 LEU CB C 10 41.377 41.370 0.007 1
1 59 . 14 1 1 A 10 10 LEU N N 10 119.521 128.174 -8.653 1
1 60 . 14 1 1 A 11 11 LEU H H 11 8.207 8.214 -0.007 1
1 61 . 14 1 1 A 11 11 LEU HA H 11 3.792 4.028 -0.236 1
1 71 . 14 1 1 A 11 11 LEU CA C 11 58.241 58.419 -0.178 1
1 72 . 14 1 1 A 11 11 LEU CB C 11 41.790 41.492 0.298 1
1 76 . 14 1 1 A 11 11 LEU N N 11 119.938 120.155 -0.217 1
1 77 . 14 1 1 A 12 12 ARG H H 12 7.904 8.338 -0.434 1
1 78 . 14 1 1 A 12 12 ARG HA H 12 3.966 4.091 -0.125 1
1 85 . 14 1 1 A 12 12 ARG CA C 12 59.301 58.286 1.015 1
1 86 . 14 1 1 A 12 12 ARG CB C 12 30.132 29.602 0.530 1
1 89 . 14 1 1 A 12 12 ARG N N 12 116.799 117.423 -0.624 1
1 90 . 14 1 1 A 13 13 GLY H H 13 8.190 8.481 -0.291 1
1 91 . 14 1 1 A 13 13 GLY HA2 H 13 3.740 3.817 -0.077 1
1 92 . 14 1 1 A 13 13 GLY HA3 H 13 3.437 3.822 -0.385 1
1 93 . 14 1 1 A 13 13 GLY CA C 13 47.988 46.984 1.004 1
1 94 . 14 1 1 A 13 13 GLY N N 13 107.618 109.256 -1.638 1
1 95 . 14 1 1 A 14 14 LEU H H 14 8.515 8.027 0.488 1
1 96 . 14 1 1 A 14 14 LEU HA H 14 3.785 4.050 -0.265 1
1 106 . 14 1 1 A 14 14 LEU C C 14 178.232 178.719 -0.487 1
1 107 . 14 1 1 A 14 14 LEU CA C 14 57.401 57.881 -0.480 1
1 108 . 14 1 1 A 14 14 LEU CB C 14 41.981 41.883 0.098 1
1 112 . 14 1 1 A 14 14 LEU N N 14 120.161 122.835 -2.674 1
1 113 . 14 1 1 A 15 15 GLU H H 15 7.931 8.422 -0.491 1
1 114 . 14 1 1 A 15 15 GLU HA H 15 4.030 3.872 0.158 1
1 119 . 14 1 1 A 15 15 GLU CA C 15 57.961 59.705 -1.744 1
1 120 . 14 1 1 A 15 15 GLU CB C 15 30.140 29.284 0.856 1
1 122 . 14 1 1 A 15 15 GLU N N 15 114.703 117.239 -2.536 1
1 123 . 14 1 1 A 16 16 CYS H H 16 7.612 8.060 -0.448 1
1 124 . 14 1 1 A 16 16 CYS HA H 16 4.457 4.140 0.317 1
1 127 . 14 1 1 A 16 16 CYS CA C 16 60.982 62.966 -1.984 1
1 128 . 14 1 1 A 16 16 CYS CB C 16 27.917 27.580 0.337 1
1 129 . 14 1 1 A 16 16 CYS N N 16 114.695 119.264 -4.569 1
1 130 . 14 1 1 A 17 17 ILE H H 17 7.142 7.598 -0.456 1
1 131 . 14 1 1 A 17 17 ILE HA H 17 4.533 4.377 0.156 1
1 141 . 14 1 1 A 17 17 ILE CA C 17 61.521 60.962 0.559 1
1 142 . 14 1 1 A 17 17 ILE CB C 17 39.206 39.142 0.064 1
1 146 . 14 1 1 A 17 17 ILE N N 17 115.031 117.791 -2.760 1
1 147 . 14 1 1 A 18 18 ASN H H 18 8.325 8.895 -0.570 1
1 148 . 14 1 1 A 18 18 ASN HA H 18 4.575 5.050 -0.475 1
1 153 . 14 1 1 A 18 18 ASN C C 18 175.171 176.572 -1.401 1
1 154 . 14 1 1 A 18 18 ASN CA C 18 53.278 52.285 0.993 1
1 155 . 14 1 1 A 18 18 ASN CB C 18 38.419 39.787 -1.368 1
1 156 . 14 1 1 A 18 18 ASN N N 18 119.943 121.377 -1.434 1
1 158 . 14 1 1 A 19 19 LYS H H 19 8.514 8.863 -0.349 1
1 159 . 14 1 1 A 19 19 LYS HA H 19 4.242 4.217 0.025 1
1 168 . 14 1 1 A 19 19 LYS C C 19 178.868 179.002 -0.134 1
1 169 . 14 1 1 A 19 19 LYS CA C 19 60.006 60.031 -0.025 1
1 170 . 14 1 1 A 19 19 LYS CB C 19 32.291 32.343 -0.052 1
1 174 . 14 1 1 A 19 19 LYS N N 19 118.191 121.625 -3.434 1
1 175 . 14 1 1 A 20 20 HIS H H 20 8.328 8.049 0.279 1
1 176 . 14 1 1 A 20 20 HIS HA H 20 4.371 4.274 0.097 1
1 181 . 14 1 1 A 20 20 HIS C C 20 178.335 176.727 1.608 1
1 182 . 14 1 1 A 20 20 HIS CA C 20 59.785 59.344 0.441 1
1 183 . 14 1 1 A 20 20 HIS CB C 20 29.879 29.885 -0.006 1
1 186 . 14 1 1 A 20 20 HIS N N 20 120.900 119.517 1.383 1
1 187 . 14 1 1 A 21 21 TYR H H 21 8.464 8.245 0.219 1
1 188 . 14 1 1 A 21 21 TYR HA H 21 4.540 4.196 0.344 1
1 195 . 14 1 1 A 21 21 TYR C C 21 178.222 178.485 -0.263 1
1 196 . 14 1 1 A 21 21 TYR CA C 21 61.863 61.735 0.128 1
1 197 . 14 1 1 A 21 21 TYR CB C 21 38.012 38.288 -0.276 1
1 202 . 14 1 1 A 21 21 TYR N N 21 118.132 117.475 0.657 1
1 203 . 14 1 1 A 22 22 PHE H H 22 9.095 8.344 0.751 1
1 204 . 14 1 1 A 22 22 PHE HA H 22 4.616 4.102 0.514 1
1 212 . 14 1 1 A 22 22 PHE C C 22 177.409 177.199 0.210 1
1 213 . 14 1 1 A 22 22 PHE CA C 22 59.761 61.782 -2.021 1
1 214 . 14 1 1 A 22 22 PHE CB C 22 38.982 39.207 -0.225 1
1 220 . 14 1 1 A 22 22 PHE N N 22 121.771 120.970 0.801 1
1 221 . 14 1 1 A 23 23 SER H H 23 8.400 8.550 -0.150 1
1 222 . 14 1 1 A 23 23 SER HA H 23 3.785 3.859 -0.074 1
1 225 . 14 1 1 A 23 23 SER C C 23 177.318 177.168 0.150 1
1 226 . 14 1 1 A 23 23 SER CA C 23 62.453 61.553 0.900 1
1 227 . 14 1 1 A 23 23 SER CB C 23 62.279 63.065 -0.786 1
1 228 . 14 1 1 A 23 23 SER N N 23 115.511 113.835 1.676 1
1 229 . 14 1 1 A 24 24 LEU H H 24 7.737 8.454 -0.717 1
1 230 . 14 1 1 A 24 24 LEU HA H 24 4.118 3.910 0.208 1
1 240 . 14 1 1 A 24 24 LEU C C 24 178.956 178.782 0.174 1
1 241 . 14 1 1 A 24 24 LEU CA C 24 57.992 57.819 0.173 1
1 242 . 14 1 1 A 24 24 LEU CB C 24 42.066 42.566 -0.500 1
1 246 . 14 1 1 A 24 24 LEU N N 24 123.378 122.033 1.345 1
1 247 . 14 1 1 A 25 25 PHE H H 25 8.643 7.620 1.023 1
1 248 . 14 1 1 A 25 25 PHE HA H 25 3.475 3.456 0.019 1
1 256 . 14 1 1 A 25 25 PHE C C 25 176.905 176.716 0.189 1
1 257 . 14 1 1 A 25 25 PHE CA C 25 61.196 61.454 -0.258 1
1 258 . 14 1 1 A 25 25 PHE CB C 25 38.741 38.620 0.121 1
1 264 . 14 1 1 A 25 25 PHE N N 25 122.640 118.367 4.273 1
1 265 . 14 1 1 A 26 26 LYS H H 26 8.022 7.676 0.346 1
1 266 . 14 1 1 A 26 26 LYS HA H 26 3.197 3.614 -0.417 1
1 275 . 14 1 1 A 26 26 LYS C C 26 177.424 179.468 -2.044 1
1 276 . 14 1 1 A 26 26 LYS CA C 26 61.439 59.270 2.169 1
1 277 . 14 1 1 A 26 26 LYS CB C 26 32.363 31.873 0.490 1
1 281 . 14 1 1 A 26 26 LYS N N 26 116.023 117.962 -1.939 1
1 282 . 14 1 1 A 27 27 SER H H 27 7.473 7.834 -0.361 1
1 283 . 14 1 1 A 27 27 SER HA H 27 4.134 4.105 0.029 1
1 286 . 14 1 1 A 27 27 SER C C 27 177.449 176.368 1.081 1
1 287 . 14 1 1 A 27 27 SER CA C 27 61.544 62.201 -0.657 1
1 288 . 14 1 1 A 27 27 SER CB C 27 62.828 62.697 0.131 1
1 289 . 14 1 1 A 27 27 SER N N 27 111.668 116.409 -4.741 1
1 290 . 14 1 1 A 28 28 LEU H H 28 7.625 7.536 0.089 1
1 291 . 14 1 1 A 28 28 LEU HA H 28 4.117 4.039 0.078 1
1 301 . 14 1 1 A 28 28 LEU C C 28 179.076 179.369 -0.293 1
1 302 . 14 1 1 A 28 28 LEU CA C 28 57.336 57.580 -0.244 1
1 303 . 14 1 1 A 28 28 LEU CB C 28 41.585 42.110 -0.525 1
1 307 . 14 1 1 A 28 28 LEU N N 28 123.121 121.463 1.658 1
1 308 . 14 1 1 A 29 29 LEU H H 29 7.391 8.114 -0.723 1
1 309 . 14 1 1 A 29 29 LEU HA H 29 4.276 3.959 0.317 1
1 319 . 14 1 1 A 29 29 LEU C C 29 177.606 178.413 -0.807 1
1 320 . 14 1 1 A 29 29 LEU CA C 29 54.243 57.227 -2.984 1
1 321 . 14 1 1 A 29 29 LEU CB C 29 41.665 40.866 0.799 1
1 325 . 14 1 1 A 29 29 LEU N N 29 119.910 117.036 2.874 1
1 326 . 14 1 1 A 30 30 ALA H H 30 7.242 8.538 -1.296 1
1 327 . 14 1 1 A 30 30 ALA HA H 30 3.505 3.990 -0.485 1
1 331 . 14 1 1 A 30 30 ALA C C 30 179.568 179.678 -0.110 1
1 332 . 14 1 1 A 30 30 ALA CA C 30 56.470 55.423 1.047 1
1 333 . 14 1 1 A 30 30 ALA CB C 30 18.818 18.566 0.252 1
1 334 . 14 1 1 A 30 30 ALA N N 30 122.470 121.427 1.043 1
1 335 . 14 1 1 A 31 31 ARG H H 31 8.256 8.014 0.242 1
1 336 . 14 1 1 A 31 31 ARG HA H 31 4.142 4.061 0.081 1
1 343 . 14 1 1 A 31 31 ARG C C 31 179.303 178.094 1.209 1
1 344 . 14 1 1 A 31 31 ARG CA C 31 58.917 58.833 0.084 1
1 345 . 14 1 1 A 31 31 ARG CB C 31 29.407 30.088 -0.681 1
1 348 . 14 1 1 A 31 31 ARG N N 31 116.240 117.175 -0.935 1
1 349 . 14 1 1 A 32 32 ASP H H 32 8.205 8.101 0.104 1
1 350 . 14 1 1 A 32 32 ASP HA H 32 4.334 4.299 0.035 1
1 353 . 14 1 1 A 32 32 ASP C C 32 177.470 178.612 -1.142 1
1 354 . 14 1 1 A 32 32 ASP CA C 32 57.336 57.000 0.336 1
1 355 . 14 1 1 A 32 32 ASP CB C 32 41.582 40.836 0.746 1
1 356 . 14 1 1 A 32 32 ASP N N 32 120.398 120.352 0.046 1
1 357 . 14 1 1 A 33 33 LEU H H 33 7.933 8.123 -0.190 1
1 358 . 14 1 1 A 33 33 LEU HA H 33 4.206 4.096 0.110 1
1 368 . 14 1 1 A 33 33 LEU C C 33 175.261 176.407 -1.146 1
1 369 . 14 1 1 A 33 33 LEU CA C 33 53.700 55.796 -2.096 1
1 370 . 14 1 1 A 33 33 LEU CB C 33 41.306 41.895 -0.589 1
1 374 . 14 1 1 A 33 33 LEU N N 33 113.338 118.238 -4.900 1
1 375 . 14 1 1 A 34 34 ASN H H 34 7.688 8.269 -0.581 1
1 376 . 14 1 1 A 34 34 ASN HA H 34 4.307 4.313 -0.006 1
1 381 . 14 1 1 A 34 34 ASN C C 34 175.092 174.254 0.838 1
1 382 . 14 1 1 A 34 34 ASN CA C 34 53.960 54.361 -0.401 1
1 383 . 14 1 1 A 34 34 ASN CB C 34 37.073 37.175 -0.102 1
1 384 . 14 1 1 A 34 34 ASN N N 34 116.912 117.496 -0.584 1
1 386 . 14 1 1 A 35 35 LEU H H 35 8.177 8.110 0.067 1
1 387 . 14 1 1 A 35 35 LEU HA H 35 4.008 4.396 -0.388 1
1 397 . 14 1 1 A 35 35 LEU C C 35 177.637 176.812 0.825 1
1 398 . 14 1 1 A 35 35 LEU CA C 35 54.233 55.158 -0.925 1
1 399 . 14 1 1 A 35 35 LEU CB C 35 41.024 42.451 -1.427 1
1 403 . 14 1 1 A 35 35 LEU N N 35 115.363 120.149 -4.786 1
1 404 . 14 1 1 A 36 36 GLU H H 36 8.419 9.149 -0.730 1
1 405 . 14 1 1 A 36 36 GLU HA H 36 4.175 4.486 -0.311 1
1 410 . 14 1 1 A 36 36 GLU C C 36 177.626 177.531 0.095 1
1 411 . 14 1 1 A 36 36 GLU CA C 36 56.872 56.253 0.619 1
1 412 . 14 1 1 A 36 36 GLU CB C 36 29.675 29.990 -0.315 1
1 414 . 14 1 1 A 36 36 GLU N N 36 122.591 121.466 1.125 1
1 415 . 14 1 1 A 37 37 ARG H H 37 8.577 8.734 -0.157 1
1 416 . 14 1 1 A 37 37 ARG HA H 37 3.889 4.069 -0.180 1
1 423 . 14 1 1 A 37 37 ARG C C 37 178.119 177.742 0.377 1
1 424 . 14 1 1 A 37 37 ARG CA C 37 58.924 59.038 -0.114 1
1 425 . 14 1 1 A 37 37 ARG CB C 37 30.074 29.692 0.382 1
1 428 . 14 1 1 A 37 37 ARG N N 37 124.790 125.950 -1.160 1
1 429 . 14 1 1 A 38 38 ASP H H 38 8.623 7.821 0.802 1
1 430 . 14 1 1 A 38 38 ASP HA H 38 4.591 4.595 -0.004 1
1 433 . 14 1 1 A 38 38 ASP C C 38 176.021 177.293 -1.272 1
1 434 . 14 1 1 A 38 38 ASP CA C 38 55.073 56.205 -1.132 1
1 435 . 14 1 1 A 38 38 ASP CB C 38 40.722 41.519 -0.797 1
1 436 . 14 1 1 A 38 38 ASP N N 38 116.313 119.953 -3.640 1
1 437 . 14 1 1 A 39 39 ASN H H 39 7.668 7.960 -0.292 1
1 438 . 14 1 1 A 39 39 ASN HA H 39 4.936 4.868 0.068 1
1 443 . 14 1 1 A 39 39 ASN C C 39 175.702 175.112 0.590 1
1 444 . 14 1 1 A 39 39 ASN CA C 39 52.626 52.583 0.043 1
1 445 . 14 1 1 A 39 39 ASN CB C 39 38.966 37.111 1.855 1
1 446 . 14 1 1 A 39 39 ASN N N 39 116.330 116.871 -0.541 1
1 448 . 14 1 1 A 40 40 GLN H H 40 8.324 8.082 0.242 1
1 449 . 14 1 1 A 40 40 GLN HA H 40 4.285 4.322 -0.037 1
1 456 . 14 1 1 A 40 40 GLN C C 40 178.897 178.461 0.436 1
1 457 . 14 1 1 A 40 40 GLN CA C 40 58.513 58.130 0.383 1
1 458 . 14 1 1 A 40 40 GLN CB C 40 29.225 29.261 -0.036 1
1 460 . 14 1 1 A 40 40 GLN N N 40 119.556 119.608 -0.052 1
1 462 . 14 1 1 A 41 41 GLU H H 41 8.956 8.250 0.706 1
1 463 . 14 1 1 A 41 41 GLU HA H 41 3.950 4.083 -0.133 1
1 468 . 14 1 1 A 41 41 GLU C C 41 176.712 178.488 -1.776 1
1 469 . 14 1 1 A 41 41 GLU CA C 41 58.716 59.450 -0.734 1
1 470 . 14 1 1 A 41 41 GLU CB C 41 29.124 29.164 -0.040 1
1 472 . 14 1 1 A 41 41 GLU N N 41 121.919 118.997 2.922 1
1 473 . 14 1 1 A 42 42 GLN H H 42 7.634 8.106 -0.472 1
1 474 . 14 1 1 A 42 42 GLN HA H 42 4.052 4.128 -0.076 1
1 481 . 14 1 1 A 42 42 GLN C C 42 176.286 176.224 0.062 1
1 482 . 14 1 1 A 42 42 GLN CA C 42 56.859 57.989 -1.130 1
1 483 . 14 1 1 A 42 42 GLN CB C 42 28.418 27.902 0.516 1
1 485 . 14 1 1 A 42 42 GLN N N 42 114.515 117.766 -3.251 1
1 487 . 14 1 1 A 43 43 TYR H H 43 6.692 7.359 -0.667 1
1 488 . 14 1 1 A 43 43 TYR HA H 43 4.866 4.636 0.230 1
1 495 . 14 1 1 A 43 43 TYR C C 43 177.063 175.499 1.564 1
1 496 . 14 1 1 A 43 43 TYR CA C 43 58.627 58.543 0.084 1
1 497 . 14 1 1 A 43 43 TYR CB C 43 39.628 39.211 0.417 1
1 502 . 14 1 1 A 43 43 TYR N N 43 116.167 120.374 -4.207 1
1 503 . 14 1 1 A 44 44 THR H H 44 8.785 8.722 0.063 1
1 504 . 14 1 1 A 44 44 THR HA H 44 4.800 5.235 -0.435 1
1 509 . 14 1 1 A 44 44 THR C C 44 176.061 175.974 0.087 1
1 510 . 14 1 1 A 44 44 THR CA C 44 60.519 59.782 0.737 1
1 511 . 14 1 1 A 44 44 THR CB C 44 71.926 71.768 0.158 1
1 513 . 14 1 1 A 44 44 THR N N 44 116.779 111.700 5.079 1
1 514 . 14 1 1 A 45 45 THR H H 45 8.849 9.021 -0.172 1
1 515 . 14 1 1 A 45 45 THR HA H 45 3.626 3.808 -0.182 1
1 520 . 14 1 1 A 45 45 THR C C 45 176.458 176.296 0.162 1
1 521 . 14 1 1 A 45 45 THR CA C 45 65.716 66.028 -0.312 1
1 522 . 14 1 1 A 45 45 THR CB C 45 67.141 68.227 -1.086 1
1 524 . 14 1 1 A 45 45 THR N N 45 112.579 116.328 -3.749 1
1 525 . 14 1 1 A 46 46 ILE H H 46 7.144 7.925 -0.781 1
1 526 . 14 1 1 A 46 46 ILE HA H 46 3.803 3.607 0.196 1
1 536 . 14 1 1 A 46 46 ILE C C 46 177.573 177.845 -0.272 1
1 537 . 14 1 1 A 46 46 ILE CA C 46 64.078 65.086 -1.008 1
1 538 . 14 1 1 A 46 46 ILE CB C 46 38.733 37.671 1.062 1
1 542 . 14 1 1 A 46 46 ILE N N 46 119.409 123.604 -4.195 1
1 543 . 14 1 1 A 47 47 GLN H H 47 7.552 7.981 -0.429 1
1 544 . 14 1 1 A 47 47 GLN HA H 47 4.124 4.000 0.124 1
1 551 . 14 1 1 A 47 47 GLN C C 47 179.640 178.681 0.959 1
1 552 . 14 1 1 A 47 47 GLN CA C 47 59.282 59.176 0.106 1
1 553 . 14 1 1 A 47 47 GLN CB C 47 29.242 28.513 0.729 1
1 555 . 14 1 1 A 47 47 GLN N N 47 119.564 118.797 0.767 1
1 557 . 14 1 1 A 48 48 ILE H H 48 8.520 8.056 0.464 1
1 558 . 14 1 1 A 48 48 ILE HA H 48 3.861 3.733 0.128 1
1 568 . 14 1 1 A 48 48 ILE C C 48 177.779 177.995 -0.216 1
1 569 . 14 1 1 A 48 48 ILE CA C 48 61.208 64.968 -3.760 1
1 570 . 14 1 1 A 48 48 ILE CB C 48 34.654 37.854 -3.200 1
1 574 . 14 1 1 A 48 48 ILE N N 48 118.052 120.823 -2.771 1
1 575 . 14 1 1 A 49 49 ALA H H 49 8.826 8.260 0.566 1
1 576 . 14 1 1 A 49 49 ALA HA H 49 4.071 4.135 -0.064 1
1 580 . 14 1 1 A 49 49 ALA C C 49 179.849 179.724 0.125 1
1 581 . 14 1 1 A 49 49 ALA CA C 49 55.909 55.791 0.118 1
1 582 . 14 1 1 A 49 49 ALA CB C 49 18.289 18.455 -0.166 1
1 583 . 14 1 1 A 49 49 ALA N N 49 123.182 122.508 0.674 1
1 584 . 14 1 1 A 50 50 ASN H H 50 8.319 8.665 -0.346 1
1 585 . 14 1 1 A 50 50 ASN HA H 50 4.517 4.410 0.107 1
1 590 . 14 1 1 A 50 50 ASN CA C 50 56.309 56.814 -0.505 1
1 591 . 14 1 1 A 50 50 ASN CB C 50 38.198 38.029 0.169 1
1 592 . 14 1 1 A 50 50 ASN N N 50 116.379 117.620 -1.241 1
1 594 . 14 1 1 A 51 51 MET H H 51 8.233 8.110 0.123 1
1 595 . 14 1 1 A 51 51 MET HA H 51 4.132 4.096 0.036 1
1 603 . 14 1 1 A 51 51 MET CA C 51 59.312 58.749 0.563 1
1 604 . 14 1 1 A 51 51 MET CB C 51 34.763 32.306 2.457 1
1 607 . 14 1 1 A 51 51 MET N N 51 119.934 118.252 1.682 1
1 608 . 14 1 1 A 52 52 MET H H 52 8.926 8.353 0.573 1
1 609 . 14 1 1 A 52 52 MET HA H 52 3.874 4.329 -0.455 1
1 617 . 14 1 1 A 52 52 MET C C 52 177.228 178.649 -1.421 1
1 618 . 14 1 1 A 52 52 MET CA C 52 60.218 58.255 1.963 1
1 619 . 14 1 1 A 52 52 MET CB C 52 33.427 32.256 1.171 1
1 622 . 14 1 1 A 52 52 MET N N 52 120.686 119.074 1.612 1
1 623 . 14 1 1 A 53 53 GLU H H 53 8.111 8.384 -0.273 1
1 624 . 14 1 1 A 53 53 GLU HA H 53 3.863 4.082 -0.219 1
1 629 . 14 1 1 A 53 53 GLU C C 53 177.640 179.316 -1.676 1
1 630 . 14 1 1 A 53 53 GLU CA C 53 59.847 59.603 0.244 1
1 631 . 14 1 1 A 53 53 GLU CB C 53 29.778 29.288 0.490 1
1 633 . 14 1 1 A 53 53 GLU N N 53 119.207 118.552 0.655 1
1 634 . 14 1 1 A 54 54 GLU H H 54 7.030 7.687 -0.657 1
1 635 . 14 1 1 A 54 54 GLU HA H 54 4.014 4.113 -0.099 1
1 640 . 14 1 1 A 54 54 GLU C C 54 178.008 179.009 -1.001 1
1 641 . 14 1 1 A 54 54 GLU CA C 54 58.211 58.651 -0.440 1
1 642 . 14 1 1 A 54 54 GLU CB C 54 30.149 29.904 0.245 1
1 644 . 14 1 1 A 54 54 GLU N N 54 115.049 120.098 -5.049 1
1 645 . 14 1 1 A 55 55 LYS H H 55 7.670 7.924 -0.254 1
1 646 . 14 1 1 A 55 55 LYS HA H 55 3.930 3.799 0.131 1
1 655 . 14 1 1 A 55 55 LYS C C 55 175.986 176.409 -0.423 1
1 656 . 14 1 1 A 55 55 LYS CA C 55 56.405 58.992 -2.587 1
1 657 . 14 1 1 A 55 55 LYS CB C 55 32.705 31.586 1.119 1
1 661 . 14 1 1 A 55 55 LYS N N 55 117.040 120.251 -3.211 1
1 662 . 14 1 1 A 56 56 PHE H H 56 8.079 7.900 0.179 1
1 663 . 14 1 1 A 56 56 PHE HA H 56 5.215 5.053 0.162 1
1 671 . 14 1 1 A 56 56 PHE CA C 56 53.965 54.943 -0.978 1
1 672 . 14 1 1 A 56 56 PHE CB C 56 38.759 39.223 -0.464 1
1 678 . 14 1 1 A 56 56 PHE N N 56 117.341 116.422 0.919 1
1 679 . 14 1 1 A 57 57 PRO HA H 57 4.514 4.571 -0.057 1
1 686 . 14 1 1 A 57 57 PRO CA C 57 64.818 64.176 0.642 1
1 687 . 14 1 1 A 57 57 PRO CB C 57 32.192 31.825 0.367 1
1 690 . 14 1 1 A 58 58 ALA H H 58 8.619 8.316 0.303 1
1 691 . 14 1 1 A 58 58 ALA HA H 58 4.206 4.210 -0.004 1
1 695 . 14 1 1 A 58 58 ALA CA C 58 55.406 55.139 0.267 1
1 696 . 14 1 1 A 58 58 ALA CB C 58 18.353 19.586 -1.233 1
1 697 . 14 1 1 A 58 58 ALA N N 58 120.173 121.228 -1.055 1
1 698 . 14 1 1 A 59 59 ASP H H 59 7.515 7.954 -0.439 1
1 699 . 14 1 1 A 59 59 ASP HA H 59 4.810 4.728 0.082 1
1 702 . 14 1 1 A 59 59 ASP CA C 59 52.659 53.499 -0.840 1
1 703 . 14 1 1 A 59 59 ASP CB C 59 41.778 42.287 -0.509 1
1 704 . 14 1 1 A 59 59 ASP N N 59 113.536 115.195 -1.659 1
1 705 . 14 1 1 A 60 60 SER H H 60 8.392 8.702 -0.310 1
1 706 . 14 1 1 A 60 60 SER HA H 60 4.176 4.631 -0.455 1
1 709 . 14 1 1 A 60 60 SER CA C 60 60.221 59.605 0.616 1
1 710 . 14 1 1 A 60 60 SER CB C 60 62.050 61.654 0.396 1
1 711 . 14 1 1 A 60 60 SER N N 60 113.717 113.348 0.369 1
1 712 . 14 1 1 A 61 61 GLY H H 61 8.299 8.412 -0.113 1
1 713 . 14 1 1 A 61 61 GLY HA2 H 61 4.005 3.827 0.178 1
1 714 . 14 1 1 A 61 61 GLY HA3 H 61 3.502 4.008 -0.506 1
1 715 . 14 1 1 A 61 61 GLY CA C 61 45.554 45.496 0.058 1
1 716 . 14 1 1 A 61 61 GLY N N 61 104.225 106.190 -1.965 1
1 717 . 14 1 1 A 62 62 LEU H H 62 7.927 7.934 -0.007 1
1 718 . 14 1 1 A 62 62 LEU HA H 62 3.915 3.995 -0.080 1
1 728 . 14 1 1 A 62 62 LEU CA C 62 58.075 57.793 0.282 1
1 729 . 14 1 1 A 62 62 LEU CB C 62 41.731 42.007 -0.276 1
1 733 . 14 1 1 A 62 62 LEU N N 62 122.094 122.764 -0.670 1
1 734 . 14 1 1 A 63 63 GLY H H 63 8.566 8.228 0.338 1
1 735 . 14 1 1 A 63 63 GLY HA2 H 63 3.847 3.591 0.256 1
1 736 . 14 1 1 A 63 63 GLY HA3 H 63 3.592 3.606 -0.014 1
1 737 . 14 1 1 A 63 63 GLY CA C 63 47.146 47.059 0.087 1
1 738 . 14 1 1 A 63 63 GLY N N 63 105.732 106.349 -0.617 1
1 739 . 14 1 1 A 64 64 LYS H H 64 7.509 8.114 -0.605 1
1 740 . 14 1 1 A 64 64 LYS HA H 64 4.115 4.006 0.109 1
1 749 . 14 1 1 A 64 64 LYS C C 64 179.856 178.890 0.966 1
1 750 . 14 1 1 A 64 64 LYS CA C 64 57.768 59.172 -1.404 1
1 751 . 14 1 1 A 64 64 LYS CB C 64 31.542 32.002 -0.460 1
1 755 . 14 1 1 A 64 64 LYS N N 64 120.697 121.791 -1.094 1
1 756 . 14 1 1 A 65 65 LEU H H 65 7.544 7.876 -0.332 1
1 757 . 14 1 1 A 65 65 LEU HA H 65 4.219 3.520 0.699 1
1 767 . 14 1 1 A 65 65 LEU C C 65 178.606 178.350 0.256 1
1 768 . 14 1 1 A 65 65 LEU CA C 65 57.675 57.742 -0.067 1
1 769 . 14 1 1 A 65 65 LEU CB C 65 41.040 41.529 -0.489 1
1 773 . 14 1 1 A 65 65 LEU N N 65 120.399 120.544 -0.145 1
1 774 . 14 1 1 A 66 66 ILE H H 66 8.605 8.146 0.459 1
1 775 . 14 1 1 A 66 66 ILE HA H 66 3.271 3.477 -0.206 1
1 785 . 14 1 1 A 66 66 ILE C C 66 176.721 177.698 -0.977 1
1 786 . 14 1 1 A 66 66 ILE CA C 66 67.612 65.883 1.729 1
1 787 . 14 1 1 A 66 66 ILE CB C 66 38.006 37.795 0.211 1
1 791 . 14 1 1 A 66 66 ILE N N 66 121.170 120.142 1.028 1
1 792 . 14 1 1 A 67 67 GLU H H 67 8.157 8.017 0.140 1
1 793 . 14 1 1 A 67 67 GLU HA H 67 4.007 3.941 0.066 1
1 798 . 14 1 1 A 67 67 GLU C C 67 178.848 179.193 -0.345 1
1 799 . 14 1 1 A 67 67 GLU CA C 67 59.476 59.734 -0.258 1
1 800 . 14 1 1 A 67 67 GLU CB C 67 30.055 29.553 0.502 1
1 802 . 14 1 1 A 67 67 GLU N N 67 118.066 119.078 -1.012 1
1 803 . 14 1 1 A 68 68 PHE H H 68 7.673 7.976 -0.303 1
1 804 . 14 1 1 A 68 68 PHE HA H 68 4.393 4.225 0.168 1
1 812 . 14 1 1 A 68 68 PHE C C 68 176.609 177.854 -1.245 1
1 813 . 14 1 1 A 68 68 PHE CA C 68 60.660 61.423 -0.763 1
1 814 . 14 1 1 A 68 68 PHE CB C 68 39.666 39.264 0.402 1
1 820 . 14 1 1 A 68 68 PHE N N 68 119.383 121.358 -1.975 1
1 821 . 14 1 1 A 69 69 CYS H H 69 8.137 8.032 0.105 1
1 822 . 14 1 1 A 69 69 CYS HA H 69 3.714 3.725 -0.011 1
1 825 . 14 1 1 A 69 69 CYS C C 69 175.221 177.065 -1.844 1
1 826 . 14 1 1 A 69 69 CYS CA C 69 62.782 63.534 -0.752 1
1 827 . 14 1 1 A 69 69 CYS CB C 69 26.732 27.073 -0.341 1
1 828 . 14 1 1 A 69 69 CYS N N 69 115.218 117.073 -1.855 1
1 829 . 14 1 1 A 70 70 GLU H H 70 8.108 7.829 0.279 1
1 830 . 14 1 1 A 70 70 GLU HA H 70 3.739 3.912 -0.173 1
1 835 . 14 1 1 A 70 70 GLU C C 70 178.404 179.063 -0.659 1
1 836 . 14 1 1 A 70 70 GLU CA C 70 58.839 59.300 -0.461 1
1 837 . 14 1 1 A 70 70 GLU CB C 70 30.149 29.198 0.951 1
1 839 . 14 1 1 A 70 70 GLU N N 70 113.937 119.953 -6.016 1
1 840 . 14 1 1 A 71 71 GLU H H 71 7.306 8.398 -1.092 1
1 841 . 14 1 1 A 71 71 GLU HA H 71 4.148 4.136 0.012 1
1 846 . 14 1 1 A 71 71 GLU C C 71 176.363 176.429 -0.066 1
1 847 . 14 1 1 A 71 71 GLU CA C 71 56.943 59.016 -2.073 1
1 848 . 14 1 1 A 71 71 GLU CB C 71 30.374 28.969 1.405 1
1 850 . 14 1 1 A 71 71 GLU N N 71 117.591 117.669 -0.078 1
1 851 . 14 1 1 A 72 72 VAL H H 72 7.055 7.531 -0.476 1
1 852 . 14 1 1 A 72 72 VAL HA H 72 4.220 4.212 0.008 1
1 860 . 14 1 1 A 72 72 VAL C C 72 174.906 175.510 -0.604 1
1 861 . 14 1 1 A 72 72 VAL CA C 72 59.360 58.739 0.621 1
1 862 . 14 1 1 A 72 72 VAL CB C 72 33.462 32.522 0.940 1
1 865 . 14 1 1 A 72 72 VAL N N 72 122.531 121.495 1.036 1
1 866 . 14 1 1 A 73 73 PRO HA H 73 3.887 4.454 -0.567 1
1 873 . 14 1 1 A 73 73 PRO C C 73 179.162 177.406 1.756 1
1 874 . 14 1 1 A 73 73 PRO CA C 73 66.658 64.491 2.167 1
1 875 . 14 1 1 A 73 73 PRO CB C 73 31.819 31.853 -0.034 1
1 878 . 14 1 1 A 74 74 ALA H H 74 8.188 8.166 0.022 1
1 879 . 14 1 1 A 74 74 ALA HA H 74 4.217 4.306 -0.089 1
1 883 . 14 1 1 A 74 74 ALA C C 74 178.535 178.089 0.446 1
1 884 . 14 1 1 A 74 74 ALA CA C 74 54.149 53.024 1.125 1
1 885 . 14 1 1 A 74 74 ALA CB C 74 19.305 18.968 0.337 1
1 886 . 14 1 1 A 74 74 ALA N N 74 116.317 120.012 -3.695 1
1 887 . 14 1 1 A 75 75 LEU H H 75 8.188 7.433 0.755 1
1 888 . 14 1 1 A 75 75 LEU HA H 75 4.607 4.254 0.353 1
1 898 . 14 1 1 A 75 75 LEU C C 75 177.094 177.576 -0.482 1
1 899 . 14 1 1 A 75 75 LEU CA C 75 53.645 54.734 -1.089 1
1 900 . 14 1 1 A 75 75 LEU CB C 75 42.633 43.119 -0.486 1
1 904 . 14 1 1 A 75 75 LEU N N 75 116.296 116.122 0.174 1
1 905 . 14 1 1 A 76 76 ARG H H 76 7.332 8.122 -0.790 1
1 906 . 14 1 1 A 76 76 ARG HA H 76 3.789 3.845 -0.056 1
1 913 . 14 1 1 A 76 76 ARG C C 76 179.457 178.747 0.710 1
1 914 . 14 1 1 A 76 76 ARG CA C 76 60.815 60.008 0.807 1
1 915 . 14 1 1 A 76 76 ARG CB C 76 29.535 29.925 -0.390 1
1 918 . 14 1 1 A 76 76 ARG N N 76 122.654 119.217 3.437 1
1 919 . 14 1 1 A 77 77 LYS H H 77 8.489 7.833 0.656 1
1 920 . 14 1 1 A 77 77 LYS HA H 77 4.118 4.244 -0.126 1
1 929 . 14 1 1 A 77 77 LYS C C 77 179.135 178.559 0.576 1
1 930 . 14 1 1 A 77 77 LYS CA C 77 58.963 59.363 -0.400 1
1 931 . 14 1 1 A 77 77 LYS CB C 77 31.113 32.279 -1.166 1
1 935 . 14 1 1 A 77 77 LYS N N 77 119.343 119.443 -0.100 1
1 936 . 14 1 1 A 78 78 ARG H H 78 7.626 8.222 -0.596 1
1 937 . 14 1 1 A 78 78 ARG HA H 78 3.931 4.099 -0.168 1
1 944 . 14 1 1 A 78 78 ARG C C 78 178.200 177.966 0.234 1
1 945 . 14 1 1 A 78 78 ARG CA C 78 56.415 57.973 -1.558 1
1 946 . 14 1 1 A 78 78 ARG CB C 78 27.010 29.534 -2.524 1
1 949 . 14 1 1 A 78 78 ARG N N 78 120.202 119.124 1.078 1
1 950 . 14 1 1 A 79 79 ALA H H 79 8.138 8.079 0.059 1
1 951 . 14 1 1 A 79 79 ALA HA H 79 3.837 4.055 -0.218 1
1 955 . 14 1 1 A 79 79 ALA C C 79 178.684 179.511 -0.827 1
1 956 . 14 1 1 A 79 79 ALA CA C 79 55.692 55.148 0.544 1
1 957 . 14 1 1 A 79 79 ALA CB C 79 18.376 18.099 0.277 1
1 958 . 14 1 1 A 79 79 ALA N N 79 120.388 121.869 -1.481 1
1 959 . 14 1 1 A 80 80 GLU H H 80 7.437 8.154 -0.717 1
1 960 . 14 1 1 A 80 80 GLU HA H 80 3.877 4.069 -0.192 1
1 965 . 14 1 1 A 80 80 GLU C C 80 179.640 178.513 1.127 1
1 966 . 14 1 1 A 80 80 GLU CA C 80 59.370 58.955 0.415 1
1 967 . 14 1 1 A 80 80 GLU CB C 80 29.445 29.094 0.351 1
1 969 . 14 1 1 A 80 80 GLU N N 80 115.384 116.344 -0.960 1
1 970 . 14 1 1 A 81 81 ILE H H 81 7.721 7.389 0.332 1
1 971 . 14 1 1 A 81 81 ILE HA H 81 3.675 3.723 -0.048 1
1 981 . 14 1 1 A 81 81 ILE C C 81 178.179 178.500 -0.321 1
1 982 . 14 1 1 A 81 81 ILE CA C 81 65.187 64.905 0.282 1
1 983 . 14 1 1 A 81 81 ILE CB C 81 38.471 37.364 1.107 1
1 987 . 14 1 1 A 81 81 ILE N N 81 121.563 121.220 0.343 1
1 988 . 14 1 1 A 82 82 LEU H H 82 8.374 8.100 0.274 1
1 989 . 14 1 1 A 82 82 LEU HA H 82 3.930 3.964 -0.034 1
1 999 . 14 1 1 A 82 82 LEU C C 82 179.279 178.894 0.385 1
1 1000 . 14 1 1 A 82 82 LEU CA C 82 58.038 57.895 0.143 1
1 1001 . 14 1 1 A 82 82 LEU CB C 82 42.869 40.903 1.966 1
1 1005 . 14 1 1 A 82 82 LEU N N 82 119.839 120.267 -0.428 1
1 1006 . 14 1 1 A 83 83 LYS H H 83 8.153 8.149 0.004 1
1 1007 . 14 1 1 A 83 83 LYS HA H 83 3.740 3.805 -0.065 1
1 1016 . 14 1 1 A 83 83 LYS C C 83 179.548 178.736 0.812 1
1 1017 . 14 1 1 A 83 83 LYS CA C 83 60.433 60.367 0.066 1
1 1018 . 14 1 1 A 83 83 LYS CB C 83 32.703 32.275 0.428 1
1 1022 . 14 1 1 A 83 83 LYS N N 83 117.092 118.323 -1.231 1
1 1023 . 14 1 1 A 84 84 LYS H H 84 7.705 7.642 0.063 1
1 1024 . 14 1 1 A 84 84 LYS HA H 84 4.101 3.902 0.199 1
1 1033 . 14 1 1 A 84 84 LYS C C 84 179.082 178.944 0.138 1
1 1034 . 14 1 1 A 84 84 LYS CA C 84 59.120 59.852 -0.732 1
1 1035 . 14 1 1 A 84 84 LYS CB C 84 32.291 32.447 -0.156 1
1 1039 . 14 1 1 A 84 84 LYS N N 84 121.473 120.382 1.091 1
1 1040 . 14 1 1 A 85 85 GLU H H 85 8.567 8.372 0.195 1
1 1041 . 14 1 1 A 85 85 GLU HA H 85 4.013 4.073 -0.060 1
1 1046 . 14 1 1 A 85 85 GLU CA C 85 59.360 59.143 0.217 1
1 1047 . 14 1 1 A 85 85 GLU CB C 85 30.033 29.460 0.573 1
1 1049 . 14 1 1 A 85 85 GLU N N 85 119.645 118.137 1.508 1
1 1050 . 14 1 1 A 86 86 ARG H H 86 8.467 7.896 0.571 1
1 1051 . 14 1 1 A 86 86 ARG HA H 86 4.030 4.101 -0.071 1
1 1058 . 14 1 1 A 86 86 ARG C C 86 177.790 175.717 2.073 1
1 1059 . 14 1 1 A 86 86 ARG CA C 86 58.556 59.051 -0.495 1
1 1060 . 14 1 1 A 86 86 ARG CB C 86 30.377 29.917 0.460 1
1 1063 . 14 1 1 A 86 86 ARG N N 86 119.408 121.141 -1.733 1
1 1064 . 14 1 1 A 87 87 SER H H 87 7.851 7.712 0.139 1
1 1065 . 14 1 1 A 87 87 SER HA H 87 4.369 4.658 -0.289 1
1 1068 . 14 1 1 A 87 87 SER C C 87 175.282 173.952 1.330 1
1 1069 . 14 1 1 A 87 87 SER CA C 87 60.271 56.077 4.194 1
1 1070 . 14 1 1 A 87 87 SER CB C 87 63.601 64.996 -1.395 1
1 1071 . 14 1 1 A 87 87 SER N N 87 115.071 109.702 5.369 1
1 1072 . 14 1 1 A 88 88 GLU H H 88 7.891 8.930 -1.039 1
1 1073 . 14 1 1 A 88 88 GLU HA H 88 4.316 4.621 -0.305 1
1 1078 . 14 1 1 A 88 88 GLU C C 88 176.801 178.161 -1.360 1
1 1079 . 14 1 1 A 88 88 GLU CA C 88 57.036 57.792 -0.756 1
1 1080 . 14 1 1 A 88 88 GLU CB C 88 30.024 30.958 -0.934 1
1 1082 . 14 1 1 A 88 88 GLU N N 88 121.067 122.593 -1.526 1
1 1083 . 14 1 1 A 89 89 SER H H 89 7.934 7.941 -0.007 1
1 1084 . 14 1 1 A 89 89 SER HA H 89 4.503 4.282 0.221 1
1 1087 . 14 1 1 A 89 89 SER C C 89 174.624 175.532 -0.908 1
1 1088 . 14 1 1 A 89 89 SER CA C 89 58.875 61.076 -2.201 1
1 1089 . 14 1 1 A 89 89 SER CB C 89 64.040 63.435 0.605 1
1 1090 . 14 1 1 A 89 89 SER N N 89 115.241 112.677 2.564 1
1 1091 . 14 1 1 A 90 90 GLY H H 90 8.062 7.869 0.193 1
1 1092 . 14 1 1 A 90 90 GLY HA2 H 90 4.210 4.048 0.162 1
1 1093 . 14 1 1 A 90 90 GLY HA3 H 90 4.083 4.048 0.035 1
1 1094 . 14 1 1 A 90 90 GLY C C 90 171.774 173.819 -2.045 1
1 1095 . 14 1 1 A 90 90 GLY CA C 90 44.872 44.907 -0.035 1
1 1096 . 14 1 1 A 90 90 GLY N N 90 110.384 107.881 2.503 1
1 1097 . 14 1 1 A 91 91 PRO HA H 91 4.495 4.494 0.001 1
1 1104 . 14 1 1 A 91 91 PRO C C 91 177.475 178.018 -0.543 1
1 1105 . 14 1 1 A 91 91 PRO CA C 91 63.295 63.895 -0.600 1
1 1106 . 14 1 1 A 91 91 PRO CB C 91 32.234 31.975 0.259 1
1 1109 . 14 1 1 A 92 92 SER H H 92 8.557 8.486 0.071 1
1 1110 . 14 1 1 A 92 92 SER HA H 92 4.575 4.212 0.363 1
1 1113 . 14 1 1 A 92 92 SER C C 92 174.736 174.439 0.297 1
1 1114 . 14 1 1 A 92 92 SER CA C 92 58.380 61.901 -3.521 1
1 1115 . 14 1 1 A 92 92 SER CB C 92 64.221 63.017 1.204 1
1 1 . 15 1 1 A 6 6 SER H H 6 8.063 8.686 -0.623 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.493 4.916 -0.423 1
1 5 . 15 1 1 A 6 6 SER CA C 6 59.071 56.462 2.609 1
1 6 . 15 1 1 A 6 6 SER CB C 6 63.626 62.890 0.736 1
1 7 . 15 1 1 A 7 7 GLY H H 7 8.424 8.243 0.181 1
1 8 . 15 1 1 A 7 7 GLY HA2 H 7 3.985 3.960 0.025 1
1 9 . 15 1 1 A 7 7 GLY HA3 H 7 3.834 3.961 -0.127 1
1 10 . 15 1 1 A 7 7 GLY CA C 7 47.092 46.604 0.488 1
1 11 . 15 1 1 A 7 7 GLY N N 7 109.548 110.204 -0.656 1
1 12 . 15 1 1 A 8 8 ILE H H 8 7.565 8.042 -0.477 1
1 13 . 15 1 1 A 8 8 ILE HA H 8 3.883 4.990 -1.107 1
1 23 . 15 1 1 A 8 8 ILE CA C 8 63.805 60.195 3.610 1
1 24 . 15 1 1 A 8 8 ILE CB C 8 37.866 39.713 -1.847 1
1 28 . 15 1 1 A 8 8 ILE N N 8 123.348 121.598 1.750 1
1 29 . 15 1 1 A 9 9 VAL H H 9 7.538 8.331 -0.793 1
1 30 . 15 1 1 A 9 9 VAL HA H 9 3.471 4.529 -1.058 1
1 38 . 15 1 1 A 9 9 VAL CA C 9 66.382 60.219 6.163 1
1 39 . 15 1 1 A 9 9 VAL CB C 9 31.755 34.063 -2.308 1
1 42 . 15 1 1 A 9 9 VAL N N 9 121.471 122.634 -1.163 1
1 43 . 15 1 1 A 10 10 LEU H H 10 7.941 8.910 -0.969 1
1 44 . 15 1 1 A 10 10 LEU HA H 10 3.848 3.951 -0.103 1
1 54 . 15 1 1 A 10 10 LEU CA C 10 58.619 57.907 0.712 1
1 55 . 15 1 1 A 10 10 LEU CB C 10 41.377 41.238 0.139 1
1 59 . 15 1 1 A 10 10 LEU N N 10 119.521 128.231 -8.710 1
1 60 . 15 1 1 A 11 11 LEU H H 11 8.207 8.378 -0.171 1
1 61 . 15 1 1 A 11 11 LEU HA H 11 3.792 4.028 -0.236 1
1 71 . 15 1 1 A 11 11 LEU CA C 11 58.241 58.356 -0.115 1
1 72 . 15 1 1 A 11 11 LEU CB C 11 41.790 41.673 0.117 1
1 76 . 15 1 1 A 11 11 LEU N N 11 119.938 120.112 -0.174 1
1 77 . 15 1 1 A 12 12 ARG H H 12 7.904 8.146 -0.242 1
1 78 . 15 1 1 A 12 12 ARG HA H 12 3.966 3.903 0.063 1
1 85 . 15 1 1 A 12 12 ARG CA C 12 59.301 59.853 -0.552 1
1 86 . 15 1 1 A 12 12 ARG CB C 12 30.132 30.093 0.039 1
1 89 . 15 1 1 A 12 12 ARG N N 12 116.799 119.566 -2.767 1
1 90 . 15 1 1 A 13 13 GLY H H 13 8.190 8.191 -0.001 1
1 91 . 15 1 1 A 13 13 GLY HA2 H 13 3.740 3.908 -0.168 1
1 92 . 15 1 1 A 13 13 GLY HA3 H 13 3.437 3.918 -0.481 1
1 93 . 15 1 1 A 13 13 GLY CA C 13 47.988 46.862 1.126 1
1 94 . 15 1 1 A 13 13 GLY N N 13 107.618 106.665 0.953 1
1 95 . 15 1 1 A 14 14 LEU H H 14 8.515 8.093 0.422 1
1 96 . 15 1 1 A 14 14 LEU HA H 14 3.785 4.041 -0.256 1
1 106 . 15 1 1 A 14 14 LEU C C 14 178.232 178.843 -0.611 1
1 107 . 15 1 1 A 14 14 LEU CA C 14 57.401 57.558 -0.157 1
1 108 . 15 1 1 A 14 14 LEU CB C 14 41.981 41.985 -0.004 1
1 112 . 15 1 1 A 14 14 LEU N N 14 120.161 122.329 -2.168 1
1 113 . 15 1 1 A 15 15 GLU H H 15 7.931 8.100 -0.169 1
1 114 . 15 1 1 A 15 15 GLU HA H 15 4.030 3.904 0.126 1
1 119 . 15 1 1 A 15 15 GLU CA C 15 57.961 59.451 -1.490 1
1 120 . 15 1 1 A 15 15 GLU CB C 15 30.140 29.153 0.987 1
1 122 . 15 1 1 A 15 15 GLU N N 15 114.703 117.902 -3.199 1
1 123 . 15 1 1 A 16 16 CYS H H 16 7.612 8.209 -0.597 1
1 124 . 15 1 1 A 16 16 CYS HA H 16 4.457 4.120 0.337 1
1 127 . 15 1 1 A 16 16 CYS CA C 16 60.982 63.149 -2.167 1
1 128 . 15 1 1 A 16 16 CYS CB C 16 27.917 27.252 0.665 1
1 129 . 15 1 1 A 16 16 CYS N N 16 114.695 119.751 -5.056 1
1 130 . 15 1 1 A 17 17 ILE H H 17 7.142 7.563 -0.421 1
1 131 . 15 1 1 A 17 17 ILE HA H 17 4.533 4.307 0.226 1
1 141 . 15 1 1 A 17 17 ILE CA C 17 61.521 60.998 0.523 1
1 142 . 15 1 1 A 17 17 ILE CB C 17 39.206 38.978 0.228 1
1 146 . 15 1 1 A 17 17 ILE N N 17 115.031 117.683 -2.652 1
1 147 . 15 1 1 A 18 18 ASN H H 18 8.325 9.059 -0.734 1
1 148 . 15 1 1 A 18 18 ASN HA H 18 4.575 4.786 -0.211 1
1 153 . 15 1 1 A 18 18 ASN C C 18 175.171 176.824 -1.653 1
1 154 . 15 1 1 A 18 18 ASN CA C 18 53.278 53.368 -0.090 1
1 155 . 15 1 1 A 18 18 ASN CB C 18 38.419 38.645 -0.226 1
1 156 . 15 1 1 A 18 18 ASN N N 18 119.943 122.467 -2.524 1
1 158 . 15 1 1 A 19 19 LYS H H 19 8.514 8.715 -0.201 1
1 159 . 15 1 1 A 19 19 LYS HA H 19 4.242 4.143 0.099 1
1 168 . 15 1 1 A 19 19 LYS C C 19 178.868 178.911 -0.043 1
1 169 . 15 1 1 A 19 19 LYS CA C 19 60.006 60.120 -0.114 1
1 170 . 15 1 1 A 19 19 LYS CB C 19 32.291 32.366 -0.075 1
1 174 . 15 1 1 A 19 19 LYS N N 19 118.191 123.584 -5.393 1
1 175 . 15 1 1 A 20 20 HIS H H 20 8.328 8.153 0.175 1
1 176 . 15 1 1 A 20 20 HIS HA H 20 4.371 4.231 0.140 1
1 181 . 15 1 1 A 20 20 HIS C C 20 178.335 176.767 1.568 1
1 182 . 15 1 1 A 20 20 HIS CA C 20 59.785 59.205 0.580 1
1 183 . 15 1 1 A 20 20 HIS CB C 20 29.879 29.556 0.323 1
1 186 . 15 1 1 A 20 20 HIS N N 20 120.900 119.610 1.290 1
1 187 . 15 1 1 A 21 21 TYR H H 21 8.464 8.482 -0.018 1
1 188 . 15 1 1 A 21 21 TYR HA H 21 4.540 4.104 0.436 1
1 195 . 15 1 1 A 21 21 TYR C C 21 178.222 178.518 -0.296 1
1 196 . 15 1 1 A 21 21 TYR CA C 21 61.863 61.695 0.168 1
1 197 . 15 1 1 A 21 21 TYR CB C 21 38.012 38.201 -0.189 1
1 202 . 15 1 1 A 21 21 TYR N N 21 118.132 117.602 0.530 1
1 203 . 15 1 1 A 22 22 PHE H H 22 9.095 8.267 0.828 1
1 204 . 15 1 1 A 22 22 PHE HA H 22 4.616 4.085 0.531 1
1 212 . 15 1 1 A 22 22 PHE C C 22 177.409 177.433 -0.024 1
1 213 . 15 1 1 A 22 22 PHE CA C 22 59.761 61.758 -1.997 1
1 214 . 15 1 1 A 22 22 PHE CB C 22 38.982 39.373 -0.391 1
1 220 . 15 1 1 A 22 22 PHE N N 22 121.771 120.999 0.772 1
1 221 . 15 1 1 A 23 23 SER H H 23 8.400 8.224 0.176 1
1 222 . 15 1 1 A 23 23 SER HA H 23 3.785 3.893 -0.108 1
1 225 . 15 1 1 A 23 23 SER C C 23 177.318 177.133 0.185 1
1 226 . 15 1 1 A 23 23 SER CA C 23 62.453 61.231 1.222 1
1 227 . 15 1 1 A 23 23 SER CB C 23 62.279 62.996 -0.717 1
1 228 . 15 1 1 A 23 23 SER N N 23 115.511 113.787 1.724 1
1 229 . 15 1 1 A 24 24 LEU H H 24 7.737 8.603 -0.866 1
1 230 . 15 1 1 A 24 24 LEU HA H 24 4.118 4.047 0.071 1
1 240 . 15 1 1 A 24 24 LEU C C 24 178.956 179.255 -0.299 1
1 241 . 15 1 1 A 24 24 LEU CA C 24 57.992 57.782 0.210 1
1 242 . 15 1 1 A 24 24 LEU CB C 24 42.066 42.483 -0.417 1
1 246 . 15 1 1 A 24 24 LEU N N 24 123.378 122.253 1.125 1
1 247 . 15 1 1 A 25 25 PHE H H 25 8.643 7.832 0.811 1
1 248 . 15 1 1 A 25 25 PHE HA H 25 3.475 3.437 0.038 1
1 256 . 15 1 1 A 25 25 PHE C C 25 176.905 177.099 -0.194 1
1 257 . 15 1 1 A 25 25 PHE CA C 25 61.196 61.182 0.014 1
1 258 . 15 1 1 A 25 25 PHE CB C 25 38.741 38.773 -0.032 1
1 264 . 15 1 1 A 25 25 PHE N N 25 122.640 118.863 3.777 1
1 265 . 15 1 1 A 26 26 LYS H H 26 8.022 7.803 0.219 1
1 266 . 15 1 1 A 26 26 LYS HA H 26 3.197 3.675 -0.478 1
1 275 . 15 1 1 A 26 26 LYS C C 26 177.424 178.437 -1.013 1
1 276 . 15 1 1 A 26 26 LYS CA C 26 61.439 59.448 1.991 1
1 277 . 15 1 1 A 26 26 LYS CB C 26 32.363 31.632 0.731 1
1 281 . 15 1 1 A 26 26 LYS N N 26 116.023 117.479 -1.456 1
1 282 . 15 1 1 A 27 27 SER H H 27 7.473 7.650 -0.177 1
1 283 . 15 1 1 A 27 27 SER HA H 27 4.134 4.228 -0.094 1
1 286 . 15 1 1 A 27 27 SER C C 27 177.449 177.202 0.247 1
1 287 . 15 1 1 A 27 27 SER CA C 27 61.544 61.015 0.529 1
1 288 . 15 1 1 A 27 27 SER CB C 27 62.828 62.838 -0.010 1
1 289 . 15 1 1 A 27 27 SER N N 27 111.668 114.797 -3.129 1
1 290 . 15 1 1 A 28 28 LEU H H 28 7.625 7.747 -0.122 1
1 291 . 15 1 1 A 28 28 LEU HA H 28 4.117 3.990 0.127 1
1 301 . 15 1 1 A 28 28 LEU C C 28 179.076 178.252 0.824 1
1 302 . 15 1 1 A 28 28 LEU CA C 28 57.336 57.330 0.006 1
1 303 . 15 1 1 A 28 28 LEU CB C 28 41.585 41.738 -0.153 1
1 307 . 15 1 1 A 28 28 LEU N N 28 123.121 120.852 2.269 1
1 308 . 15 1 1 A 29 29 LEU H H 29 7.391 7.092 0.299 1
1 309 . 15 1 1 A 29 29 LEU HA H 29 4.276 4.258 0.018 1
1 319 . 15 1 1 A 29 29 LEU C C 29 177.606 177.863 -0.257 1
1 320 . 15 1 1 A 29 29 LEU CA C 29 54.243 55.343 -1.100 1
1 321 . 15 1 1 A 29 29 LEU CB C 29 41.665 42.259 -0.594 1
1 325 . 15 1 1 A 29 29 LEU N N 29 119.910 118.007 1.903 1
1 326 . 15 1 1 A 30 30 ALA H H 30 7.242 7.817 -0.575 1
1 327 . 15 1 1 A 30 30 ALA HA H 30 3.505 3.855 -0.350 1
1 331 . 15 1 1 A 30 30 ALA C C 30 179.568 179.510 0.058 1
1 332 . 15 1 1 A 30 30 ALA CA C 30 56.470 55.401 1.069 1
1 333 . 15 1 1 A 30 30 ALA CB C 30 18.818 18.535 0.283 1
1 334 . 15 1 1 A 30 30 ALA N N 30 122.470 122.152 0.318 1
1 335 . 15 1 1 A 31 31 ARG H H 31 8.256 7.859 0.397 1
1 336 . 15 1 1 A 31 31 ARG HA H 31 4.142 4.055 0.087 1
1 343 . 15 1 1 A 31 31 ARG C C 31 179.303 178.395 0.908 1
1 344 . 15 1 1 A 31 31 ARG CA C 31 58.917 59.010 -0.093 1
1 345 . 15 1 1 A 31 31 ARG CB C 31 29.407 30.014 -0.607 1
1 348 . 15 1 1 A 31 31 ARG N N 31 116.240 116.925 -0.685 1
1 349 . 15 1 1 A 32 32 ASP H H 32 8.205 7.962 0.243 1
1 350 . 15 1 1 A 32 32 ASP HA H 32 4.334 4.394 -0.060 1
1 353 . 15 1 1 A 32 32 ASP C C 32 177.470 178.406 -0.936 1
1 354 . 15 1 1 A 32 32 ASP CA C 32 57.336 57.075 0.261 1
1 355 . 15 1 1 A 32 32 ASP CB C 32 41.582 40.738 0.844 1
1 356 . 15 1 1 A 32 32 ASP N N 32 120.398 119.868 0.530 1
1 357 . 15 1 1 A 33 33 LEU H H 33 7.933 7.947 -0.014 1
1 358 . 15 1 1 A 33 33 LEU HA H 33 4.206 4.116 0.090 1
1 368 . 15 1 1 A 33 33 LEU C C 33 175.261 176.050 -0.789 1
1 369 . 15 1 1 A 33 33 LEU CA C 33 53.700 55.370 -1.670 1
1 370 . 15 1 1 A 33 33 LEU CB C 33 41.306 41.929 -0.623 1
1 374 . 15 1 1 A 33 33 LEU N N 33 113.338 117.767 -4.429 1
1 375 . 15 1 1 A 34 34 ASN H H 34 7.688 7.950 -0.262 1
1 376 . 15 1 1 A 34 34 ASN HA H 34 4.307 4.631 -0.324 1
1 381 . 15 1 1 A 34 34 ASN C C 34 175.092 174.654 0.438 1
1 382 . 15 1 1 A 34 34 ASN CA C 34 53.960 54.211 -0.251 1
1 383 . 15 1 1 A 34 34 ASN CB C 34 37.073 36.722 0.351 1
1 384 . 15 1 1 A 34 34 ASN N N 34 116.912 115.508 1.404 1
1 386 . 15 1 1 A 35 35 LEU H H 35 8.177 7.901 0.276 1
1 387 . 15 1 1 A 35 35 LEU HA H 35 4.008 4.371 -0.363 1
1 397 . 15 1 1 A 35 35 LEU C C 35 177.637 176.670 0.967 1
1 398 . 15 1 1 A 35 35 LEU CA C 35 54.233 54.715 -0.482 1
1 399 . 15 1 1 A 35 35 LEU CB C 35 41.024 42.288 -1.264 1
1 403 . 15 1 1 A 35 35 LEU N N 35 115.363 119.924 -4.561 1
1 404 . 15 1 1 A 36 36 GLU H H 36 8.419 9.221 -0.802 1
1 405 . 15 1 1 A 36 36 GLU HA H 36 4.175 4.545 -0.370 1
1 410 . 15 1 1 A 36 36 GLU C C 36 177.626 177.466 0.160 1
1 411 . 15 1 1 A 36 36 GLU CA C 36 56.872 55.750 1.122 1
1 412 . 15 1 1 A 36 36 GLU CB C 36 29.675 29.580 0.095 1
1 414 . 15 1 1 A 36 36 GLU N N 36 122.591 121.347 1.244 1
1 415 . 15 1 1 A 37 37 ARG H H 37 8.577 8.758 -0.181 1
1 416 . 15 1 1 A 37 37 ARG HA H 37 3.889 4.086 -0.197 1
1 423 . 15 1 1 A 37 37 ARG C C 37 178.119 177.804 0.315 1
1 424 . 15 1 1 A 37 37 ARG CA C 37 58.924 58.759 0.165 1
1 425 . 15 1 1 A 37 37 ARG CB C 37 30.074 29.709 0.365 1
1 428 . 15 1 1 A 37 37 ARG N N 37 124.790 124.930 -0.140 1
1 429 . 15 1 1 A 38 38 ASP H H 38 8.623 7.886 0.737 1
1 430 . 15 1 1 A 38 38 ASP HA H 38 4.591 4.587 0.004 1
1 433 . 15 1 1 A 38 38 ASP C C 38 176.021 176.683 -0.662 1
1 434 . 15 1 1 A 38 38 ASP CA C 38 55.073 56.123 -1.050 1
1 435 . 15 1 1 A 38 38 ASP CB C 38 40.722 41.441 -0.719 1
1 436 . 15 1 1 A 38 38 ASP N N 38 116.313 119.464 -3.151 1
1 437 . 15 1 1 A 39 39 ASN H H 39 7.668 8.124 -0.456 1
1 438 . 15 1 1 A 39 39 ASN HA H 39 4.936 4.944 -0.008 1
1 443 . 15 1 1 A 39 39 ASN C C 39 175.702 175.835 -0.133 1
1 444 . 15 1 1 A 39 39 ASN CA C 39 52.626 51.711 0.915 1
1 445 . 15 1 1 A 39 39 ASN CB C 39 38.966 38.962 0.004 1
1 446 . 15 1 1 A 39 39 ASN N N 39 116.330 116.460 -0.130 1
1 448 . 15 1 1 A 40 40 GLN H H 40 8.324 7.981 0.343 1
1 449 . 15 1 1 A 40 40 GLN HA H 40 4.285 4.510 -0.225 1
1 456 . 15 1 1 A 40 40 GLN C C 40 178.897 178.131 0.766 1
1 457 . 15 1 1 A 40 40 GLN CA C 40 58.513 57.527 0.986 1
1 458 . 15 1 1 A 40 40 GLN CB C 40 29.225 28.991 0.234 1
1 460 . 15 1 1 A 40 40 GLN N N 40 119.556 123.064 -3.508 1
1 462 . 15 1 1 A 41 41 GLU H H 41 8.956 8.403 0.553 1
1 463 . 15 1 1 A 41 41 GLU HA H 41 3.950 4.112 -0.162 1
1 468 . 15 1 1 A 41 41 GLU C C 41 176.712 178.501 -1.789 1
1 469 . 15 1 1 A 41 41 GLU CA C 41 58.716 59.463 -0.747 1
1 470 . 15 1 1 A 41 41 GLU CB C 41 29.124 29.186 -0.062 1
1 472 . 15 1 1 A 41 41 GLU N N 41 121.919 118.594 3.325 1
1 473 . 15 1 1 A 42 42 GLN H H 42 7.634 8.416 -0.782 1
1 474 . 15 1 1 A 42 42 GLN HA H 42 4.052 4.134 -0.082 1
1 481 . 15 1 1 A 42 42 GLN C C 42 176.286 176.102 0.184 1
1 482 . 15 1 1 A 42 42 GLN CA C 42 56.859 58.013 -1.154 1
1 483 . 15 1 1 A 42 42 GLN CB C 42 28.418 27.960 0.458 1
1 485 . 15 1 1 A 42 42 GLN N N 42 114.515 117.893 -3.378 1
1 487 . 15 1 1 A 43 43 TYR H H 43 6.692 7.742 -1.050 1
1 488 . 15 1 1 A 43 43 TYR HA H 43 4.866 4.646 0.220 1
1 495 . 15 1 1 A 43 43 TYR C C 43 177.063 175.482 1.581 1
1 496 . 15 1 1 A 43 43 TYR CA C 43 58.627 59.153 -0.526 1
1 497 . 15 1 1 A 43 43 TYR CB C 43 39.628 38.927 0.701 1
1 502 . 15 1 1 A 43 43 TYR N N 43 116.167 120.310 -4.143 1
1 503 . 15 1 1 A 44 44 THR H H 44 8.785 8.640 0.145 1
1 504 . 15 1 1 A 44 44 THR HA H 44 4.800 5.085 -0.285 1
1 509 . 15 1 1 A 44 44 THR C C 44 176.061 176.090 -0.029 1
1 510 . 15 1 1 A 44 44 THR CA C 44 60.519 60.434 0.085 1
1 511 . 15 1 1 A 44 44 THR CB C 44 71.926 71.153 0.773 1
1 513 . 15 1 1 A 44 44 THR N N 44 116.779 116.039 0.740 1
1 514 . 15 1 1 A 45 45 THR H H 45 8.849 8.847 0.002 1
1 515 . 15 1 1 A 45 45 THR HA H 45 3.626 3.763 -0.137 1
1 520 . 15 1 1 A 45 45 THR C C 45 176.458 175.937 0.521 1
1 521 . 15 1 1 A 45 45 THR CA C 45 65.716 64.536 1.180 1
1 522 . 15 1 1 A 45 45 THR CB C 45 67.141 68.369 -1.228 1
1 524 . 15 1 1 A 45 45 THR N N 45 112.579 113.734 -1.155 1
1 525 . 15 1 1 A 46 46 ILE H H 46 7.144 7.438 -0.294 1
1 526 . 15 1 1 A 46 46 ILE HA H 46 3.803 3.901 -0.098 1
1 536 . 15 1 1 A 46 46 ILE C C 46 177.573 177.992 -0.419 1
1 537 . 15 1 1 A 46 46 ILE CA C 46 64.078 64.051 0.027 1
1 538 . 15 1 1 A 46 46 ILE CB C 46 38.733 37.698 1.035 1
1 542 . 15 1 1 A 46 46 ILE N N 46 119.409 122.039 -2.630 1
1 543 . 15 1 1 A 47 47 GLN H H 47 7.552 7.891 -0.339 1
1 544 . 15 1 1 A 47 47 GLN HA H 47 4.124 4.032 0.092 1
1 551 . 15 1 1 A 47 47 GLN C C 47 179.640 178.821 0.819 1
1 552 . 15 1 1 A 47 47 GLN CA C 47 59.282 59.075 0.207 1
1 553 . 15 1 1 A 47 47 GLN CB C 47 29.242 28.399 0.843 1
1 555 . 15 1 1 A 47 47 GLN N N 47 119.564 118.573 0.991 1
1 557 . 15 1 1 A 48 48 ILE H H 48 8.520 7.748 0.772 1
1 558 . 15 1 1 A 48 48 ILE HA H 48 3.861 3.728 0.133 1
1 568 . 15 1 1 A 48 48 ILE C C 48 177.779 177.839 -0.060 1
1 569 . 15 1 1 A 48 48 ILE CA C 48 61.208 65.427 -4.219 1
1 570 . 15 1 1 A 48 48 ILE CB C 48 34.654 38.060 -3.406 1
1 574 . 15 1 1 A 48 48 ILE N N 48 118.052 120.879 -2.827 1
1 575 . 15 1 1 A 49 49 ALA H H 49 8.826 8.761 0.065 1
1 576 . 15 1 1 A 49 49 ALA HA H 49 4.071 4.072 -0.001 1
1 580 . 15 1 1 A 49 49 ALA C C 49 179.849 179.870 -0.021 1
1 581 . 15 1 1 A 49 49 ALA CA C 49 55.909 56.015 -0.106 1
1 582 . 15 1 1 A 49 49 ALA CB C 49 18.289 18.350 -0.061 1
1 583 . 15 1 1 A 49 49 ALA N N 49 123.182 122.408 0.774 1
1 584 . 15 1 1 A 50 50 ASN H H 50 8.319 8.176 0.143 1
1 585 . 15 1 1 A 50 50 ASN HA H 50 4.517 4.482 0.035 1
1 590 . 15 1 1 A 50 50 ASN CA C 50 56.309 56.733 -0.424 1
1 591 . 15 1 1 A 50 50 ASN CB C 50 38.198 38.344 -0.146 1
1 592 . 15 1 1 A 50 50 ASN N N 50 116.379 117.456 -1.077 1
1 594 . 15 1 1 A 51 51 MET H H 51 8.233 8.195 0.038 1
1 595 . 15 1 1 A 51 51 MET HA H 51 4.132 4.102 0.030 1
1 603 . 15 1 1 A 51 51 MET CA C 51 59.312 58.476 0.836 1
1 604 . 15 1 1 A 51 51 MET CB C 51 34.763 32.256 2.507 1
1 607 . 15 1 1 A 51 51 MET N N 51 119.934 118.190 1.744 1
1 608 . 15 1 1 A 52 52 MET H H 52 8.926 8.197 0.729 1
1 609 . 15 1 1 A 52 52 MET HA H 52 3.874 4.236 -0.362 1
1 617 . 15 1 1 A 52 52 MET C C 52 177.228 178.661 -1.433 1
1 618 . 15 1 1 A 52 52 MET CA C 52 60.218 58.714 1.504 1
1 619 . 15 1 1 A 52 52 MET CB C 52 33.427 33.556 -0.129 1
1 622 . 15 1 1 A 52 52 MET N N 52 120.686 118.931 1.755 1
1 623 . 15 1 1 A 53 53 GLU H H 53 8.111 8.274 -0.163 1
1 624 . 15 1 1 A 53 53 GLU HA H 53 3.863 4.052 -0.189 1
1 629 . 15 1 1 A 53 53 GLU C C 53 177.640 178.808 -1.168 1
1 630 . 15 1 1 A 53 53 GLU CA C 53 59.847 59.596 0.251 1
1 631 . 15 1 1 A 53 53 GLU CB C 53 29.778 29.361 0.417 1
1 633 . 15 1 1 A 53 53 GLU N N 53 119.207 118.641 0.566 1
1 634 . 15 1 1 A 54 54 GLU H H 54 7.030 7.759 -0.729 1
1 635 . 15 1 1 A 54 54 GLU HA H 54 4.014 4.192 -0.178 1
1 640 . 15 1 1 A 54 54 GLU C C 54 178.008 178.679 -0.671 1
1 641 . 15 1 1 A 54 54 GLU CA C 54 58.211 58.301 -0.090 1
1 642 . 15 1 1 A 54 54 GLU CB C 54 30.149 30.194 -0.045 1
1 644 . 15 1 1 A 54 54 GLU N N 54 115.049 119.423 -4.374 1
1 645 . 15 1 1 A 55 55 LYS H H 55 7.670 8.038 -0.368 1
1 646 . 15 1 1 A 55 55 LYS HA H 55 3.930 3.793 0.137 1
1 655 . 15 1 1 A 55 55 LYS C C 55 175.986 176.019 -0.033 1
1 656 . 15 1 1 A 55 55 LYS CA C 55 56.405 59.034 -2.629 1
1 657 . 15 1 1 A 55 55 LYS CB C 55 32.705 31.517 1.188 1
1 661 . 15 1 1 A 55 55 LYS N N 55 117.040 120.194 -3.154 1
1 662 . 15 1 1 A 56 56 PHE H H 56 8.079 8.285 -0.206 1
1 663 . 15 1 1 A 56 56 PHE HA H 56 5.215 5.081 0.134 1
1 671 . 15 1 1 A 56 56 PHE CA C 56 53.965 54.920 -0.955 1
1 672 . 15 1 1 A 56 56 PHE CB C 56 38.759 39.158 -0.399 1
1 678 . 15 1 1 A 56 56 PHE N N 56 117.341 116.441 0.900 1
1 679 . 15 1 1 A 57 57 PRO HA H 57 4.514 4.574 -0.060 1
1 686 . 15 1 1 A 57 57 PRO CA C 57 64.818 64.185 0.633 1
1 687 . 15 1 1 A 57 57 PRO CB C 57 32.192 31.852 0.340 1
1 690 . 15 1 1 A 58 58 ALA H H 58 8.619 8.243 0.376 1
1 691 . 15 1 1 A 58 58 ALA HA H 58 4.206 4.298 -0.092 1
1 695 . 15 1 1 A 58 58 ALA CA C 58 55.406 55.092 0.314 1
1 696 . 15 1 1 A 58 58 ALA CB C 58 18.353 19.729 -1.376 1
1 697 . 15 1 1 A 58 58 ALA N N 58 120.173 121.156 -0.983 1
1 698 . 15 1 1 A 59 59 ASP H H 59 7.515 8.062 -0.547 1
1 699 . 15 1 1 A 59 59 ASP HA H 59 4.810 4.607 0.203 1
1 702 . 15 1 1 A 59 59 ASP CA C 59 52.659 53.048 -0.389 1
1 703 . 15 1 1 A 59 59 ASP CB C 59 41.778 40.416 1.362 1
1 704 . 15 1 1 A 59 59 ASP N N 59 113.536 114.404 -0.868 1
1 705 . 15 1 1 A 60 60 SER H H 60 8.392 8.650 -0.258 1
1 706 . 15 1 1 A 60 60 SER HA H 60 4.176 4.617 -0.441 1
1 709 . 15 1 1 A 60 60 SER CA C 60 60.221 59.597 0.624 1
1 710 . 15 1 1 A 60 60 SER CB C 60 62.050 61.629 0.421 1
1 711 . 15 1 1 A 60 60 SER N N 60 113.717 112.194 1.523 1
1 712 . 15 1 1 A 61 61 GLY H H 61 8.299 8.471 -0.172 1
1 713 . 15 1 1 A 61 61 GLY HA2 H 61 4.005 3.907 0.098 1
1 714 . 15 1 1 A 61 61 GLY HA3 H 61 3.502 4.068 -0.566 1
1 715 . 15 1 1 A 61 61 GLY CA C 61 45.554 45.834 -0.280 1
1 716 . 15 1 1 A 61 61 GLY N N 61 104.225 106.120 -1.895 1
1 717 . 15 1 1 A 62 62 LEU H H 62 7.927 8.037 -0.110 1
1 718 . 15 1 1 A 62 62 LEU HA H 62 3.915 4.039 -0.124 1
1 728 . 15 1 1 A 62 62 LEU CA C 62 58.075 57.748 0.327 1
1 729 . 15 1 1 A 62 62 LEU CB C 62 41.731 42.153 -0.422 1
1 733 . 15 1 1 A 62 62 LEU N N 62 122.094 122.664 -0.570 1
1 734 . 15 1 1 A 63 63 GLY H H 63 8.566 8.443 0.123 1
1 735 . 15 1 1 A 63 63 GLY HA2 H 63 3.847 3.731 0.116 1
1 736 . 15 1 1 A 63 63 GLY HA3 H 63 3.592 3.743 -0.151 1
1 737 . 15 1 1 A 63 63 GLY CA C 63 47.146 47.275 -0.129 1
1 738 . 15 1 1 A 63 63 GLY N N 63 105.732 106.259 -0.527 1
1 739 . 15 1 1 A 64 64 LYS H H 64 7.509 8.175 -0.666 1
1 740 . 15 1 1 A 64 64 LYS HA H 64 4.115 3.943 0.172 1
1 749 . 15 1 1 A 64 64 LYS C C 64 179.856 178.895 0.961 1
1 750 . 15 1 1 A 64 64 LYS CA C 64 57.768 59.211 -1.443 1
1 751 . 15 1 1 A 64 64 LYS CB C 64 31.542 31.976 -0.434 1
1 755 . 15 1 1 A 64 64 LYS N N 64 120.697 121.728 -1.031 1
1 756 . 15 1 1 A 65 65 LEU H H 65 7.544 7.691 -0.147 1
1 757 . 15 1 1 A 65 65 LEU HA H 65 4.219 3.818 0.401 1
1 767 . 15 1 1 A 65 65 LEU C C 65 178.606 178.470 0.136 1
1 768 . 15 1 1 A 65 65 LEU CA C 65 57.675 57.510 0.165 1
1 769 . 15 1 1 A 65 65 LEU CB C 65 41.040 41.678 -0.638 1
1 773 . 15 1 1 A 65 65 LEU N N 65 120.399 120.528 -0.129 1
1 774 . 15 1 1 A 66 66 ILE H H 66 8.605 8.373 0.232 1
1 775 . 15 1 1 A 66 66 ILE HA H 66 3.271 3.507 -0.236 1
1 785 . 15 1 1 A 66 66 ILE C C 66 176.721 177.793 -1.072 1
1 786 . 15 1 1 A 66 66 ILE CA C 66 67.612 65.800 1.812 1
1 787 . 15 1 1 A 66 66 ILE CB C 66 38.006 37.709 0.297 1
1 791 . 15 1 1 A 66 66 ILE N N 66 121.170 120.205 0.965 1
1 792 . 15 1 1 A 67 67 GLU H H 67 8.157 7.951 0.206 1
1 793 . 15 1 1 A 67 67 GLU HA H 67 4.007 3.948 0.059 1
1 798 . 15 1 1 A 67 67 GLU C C 67 178.848 179.156 -0.308 1
1 799 . 15 1 1 A 67 67 GLU CA C 67 59.476 59.837 -0.361 1
1 800 . 15 1 1 A 67 67 GLU CB C 67 30.055 29.662 0.393 1
1 802 . 15 1 1 A 67 67 GLU N N 67 118.066 119.232 -1.166 1
1 803 . 15 1 1 A 68 68 PHE H H 68 7.673 7.799 -0.126 1
1 804 . 15 1 1 A 68 68 PHE HA H 68 4.393 4.094 0.299 1
1 812 . 15 1 1 A 68 68 PHE C C 68 176.609 177.633 -1.024 1
1 813 . 15 1 1 A 68 68 PHE CA C 68 60.660 61.534 -0.874 1
1 814 . 15 1 1 A 68 68 PHE CB C 68 39.666 39.505 0.161 1
1 820 . 15 1 1 A 68 68 PHE N N 68 119.383 120.823 -1.440 1
1 821 . 15 1 1 A 69 69 CYS H H 69 8.137 8.120 0.017 1
1 822 . 15 1 1 A 69 69 CYS HA H 69 3.714 3.881 -0.167 1
1 825 . 15 1 1 A 69 69 CYS C C 69 175.221 177.376 -2.155 1
1 826 . 15 1 1 A 69 69 CYS CA C 69 62.782 63.284 -0.502 1
1 827 . 15 1 1 A 69 69 CYS CB C 69 26.732 26.949 -0.217 1
1 828 . 15 1 1 A 69 69 CYS N N 69 115.218 116.624 -1.406 1
1 829 . 15 1 1 A 70 70 GLU H H 70 8.108 7.982 0.126 1
1 830 . 15 1 1 A 70 70 GLU HA H 70 3.739 3.927 -0.188 1
1 835 . 15 1 1 A 70 70 GLU C C 70 178.404 178.702 -0.298 1
1 836 . 15 1 1 A 70 70 GLU CA C 70 58.839 59.474 -0.635 1
1 837 . 15 1 1 A 70 70 GLU CB C 70 30.149 29.386 0.763 1
1 839 . 15 1 1 A 70 70 GLU N N 70 113.937 119.685 -5.748 1
1 840 . 15 1 1 A 71 71 GLU H H 71 7.306 8.170 -0.864 1
1 841 . 15 1 1 A 71 71 GLU HA H 71 4.148 4.095 0.053 1
1 846 . 15 1 1 A 71 71 GLU C C 71 176.363 176.770 -0.407 1
1 847 . 15 1 1 A 71 71 GLU CA C 71 56.943 59.136 -2.193 1
1 848 . 15 1 1 A 71 71 GLU CB C 71 30.374 29.064 1.310 1
1 850 . 15 1 1 A 71 71 GLU N N 71 117.591 118.448 -0.857 1
1 851 . 15 1 1 A 72 72 VAL H H 72 7.055 7.646 -0.591 1
1 852 . 15 1 1 A 72 72 VAL HA H 72 4.220 4.089 0.131 1
1 860 . 15 1 1 A 72 72 VAL C C 72 174.906 175.668 -0.762 1
1 861 . 15 1 1 A 72 72 VAL CA C 72 59.360 59.263 0.097 1
1 862 . 15 1 1 A 72 72 VAL CB C 72 33.462 31.835 1.627 1
1 865 . 15 1 1 A 72 72 VAL N N 72 122.531 121.458 1.073 1
1 866 . 15 1 1 A 73 73 PRO HA H 73 3.887 4.441 -0.554 1
1 873 . 15 1 1 A 73 73 PRO C C 73 179.162 177.437 1.725 1
1 874 . 15 1 1 A 73 73 PRO CA C 73 66.658 64.413 2.245 1
1 875 . 15 1 1 A 73 73 PRO CB C 73 31.819 31.877 -0.058 1
1 878 . 15 1 1 A 74 74 ALA H H 74 8.188 8.178 0.010 1
1 879 . 15 1 1 A 74 74 ALA HA H 74 4.217 4.260 -0.043 1
1 883 . 15 1 1 A 74 74 ALA C C 74 178.535 178.034 0.501 1
1 884 . 15 1 1 A 74 74 ALA CA C 74 54.149 53.465 0.684 1
1 885 . 15 1 1 A 74 74 ALA CB C 74 19.305 18.961 0.344 1
1 886 . 15 1 1 A 74 74 ALA N N 74 116.317 119.686 -3.369 1
1 887 . 15 1 1 A 75 75 LEU H H 75 8.188 7.332 0.856 1
1 888 . 15 1 1 A 75 75 LEU HA H 75 4.607 4.290 0.317 1
1 898 . 15 1 1 A 75 75 LEU C C 75 177.094 177.568 -0.474 1
1 899 . 15 1 1 A 75 75 LEU CA C 75 53.645 54.498 -0.853 1
1 900 . 15 1 1 A 75 75 LEU CB C 75 42.633 42.577 0.056 1
1 904 . 15 1 1 A 75 75 LEU N N 75 116.296 115.578 0.718 1
1 905 . 15 1 1 A 76 76 ARG H H 76 7.332 7.959 -0.627 1
1 906 . 15 1 1 A 76 76 ARG HA H 76 3.789 3.898 -0.109 1
1 913 . 15 1 1 A 76 76 ARG C C 76 179.457 178.464 0.993 1
1 914 . 15 1 1 A 76 76 ARG CA C 76 60.815 59.965 0.850 1
1 915 . 15 1 1 A 76 76 ARG CB C 76 29.535 30.060 -0.525 1
1 918 . 15 1 1 A 76 76 ARG N N 76 122.654 120.091 2.563 1
1 919 . 15 1 1 A 77 77 LYS H H 77 8.489 7.863 0.626 1
1 920 . 15 1 1 A 77 77 LYS HA H 77 4.118 3.875 0.243 1
1 929 . 15 1 1 A 77 77 LYS C C 77 179.135 178.713 0.422 1
1 930 . 15 1 1 A 77 77 LYS CA C 77 58.963 59.268 -0.305 1
1 931 . 15 1 1 A 77 77 LYS CB C 77 31.113 32.208 -1.095 1
1 935 . 15 1 1 A 77 77 LYS N N 77 119.343 119.854 -0.511 1
1 936 . 15 1 1 A 78 78 ARG H H 78 7.626 8.082 -0.456 1
1 937 . 15 1 1 A 78 78 ARG HA H 78 3.931 4.082 -0.151 1
1 944 . 15 1 1 A 78 78 ARG C C 78 178.200 178.097 0.103 1
1 945 . 15 1 1 A 78 78 ARG CA C 78 56.415 58.343 -1.928 1
1 946 . 15 1 1 A 78 78 ARG CB C 78 27.010 29.614 -2.604 1
1 949 . 15 1 1 A 78 78 ARG N N 78 120.202 119.178 1.024 1
1 950 . 15 1 1 A 79 79 ALA H H 79 8.138 8.106 0.032 1
1 951 . 15 1 1 A 79 79 ALA HA H 79 3.837 4.063 -0.226 1
1 955 . 15 1 1 A 79 79 ALA C C 79 178.684 179.498 -0.814 1
1 956 . 15 1 1 A 79 79 ALA CA C 79 55.692 55.324 0.368 1
1 957 . 15 1 1 A 79 79 ALA CB C 79 18.376 18.146 0.230 1
1 958 . 15 1 1 A 79 79 ALA N N 79 120.388 122.141 -1.753 1
1 959 . 15 1 1 A 80 80 GLU H H 80 7.437 8.024 -0.587 1
1 960 . 15 1 1 A 80 80 GLU HA H 80 3.877 4.078 -0.201 1
1 965 . 15 1 1 A 80 80 GLU C C 80 179.640 178.365 1.275 1
1 966 . 15 1 1 A 80 80 GLU CA C 80 59.370 58.844 0.526 1
1 967 . 15 1 1 A 80 80 GLU CB C 80 29.445 28.748 0.697 1
1 969 . 15 1 1 A 80 80 GLU N N 80 115.384 116.292 -0.908 1
1 970 . 15 1 1 A 81 81 ILE H H 81 7.721 7.720 0.001 1
1 971 . 15 1 1 A 81 81 ILE HA H 81 3.675 3.812 -0.137 1
1 981 . 15 1 1 A 81 81 ILE C C 81 178.179 178.529 -0.350 1
1 982 . 15 1 1 A 81 81 ILE CA C 81 65.187 64.709 0.478 1
1 983 . 15 1 1 A 81 81 ILE CB C 81 38.471 38.101 0.370 1
1 987 . 15 1 1 A 81 81 ILE N N 81 121.563 121.414 0.149 1
1 988 . 15 1 1 A 82 82 LEU H H 82 8.374 8.478 -0.104 1
1 989 . 15 1 1 A 82 82 LEU HA H 82 3.930 3.981 -0.051 1
1 999 . 15 1 1 A 82 82 LEU C C 82 179.279 179.464 -0.185 1
1 1000 . 15 1 1 A 82 82 LEU CA C 82 58.038 57.302 0.736 1
1 1001 . 15 1 1 A 82 82 LEU CB C 82 42.869 41.133 1.736 1
1 1005 . 15 1 1 A 82 82 LEU N N 82 119.839 119.381 0.458 1
1 1006 . 15 1 1 A 83 83 LYS H H 83 8.153 8.513 -0.360 1
1 1007 . 15 1 1 A 83 83 LYS HA H 83 3.740 4.117 -0.377 1
1 1016 . 15 1 1 A 83 83 LYS C C 83 179.548 179.017 0.531 1
1 1017 . 15 1 1 A 83 83 LYS CA C 83 60.433 59.221 1.212 1
1 1018 . 15 1 1 A 83 83 LYS CB C 83 32.703 32.658 0.045 1
1 1022 . 15 1 1 A 83 83 LYS N N 83 117.092 119.864 -2.772 1
1 1023 . 15 1 1 A 84 84 LYS H H 84 7.705 7.888 -0.183 1
1 1024 . 15 1 1 A 84 84 LYS HA H 84 4.101 3.997 0.104 1
1 1033 . 15 1 1 A 84 84 LYS C C 84 179.082 178.165 0.917 1
1 1034 . 15 1 1 A 84 84 LYS CA C 84 59.120 59.237 -0.117 1
1 1035 . 15 1 1 A 84 84 LYS CB C 84 32.291 32.010 0.281 1
1 1039 . 15 1 1 A 84 84 LYS N N 84 121.473 120.130 1.343 1
1 1040 . 15 1 1 A 85 85 GLU H H 85 8.567 8.030 0.537 1
1 1041 . 15 1 1 A 85 85 GLU HA H 85 4.013 4.090 -0.077 1
1 1046 . 15 1 1 A 85 85 GLU CA C 85 59.360 58.969 0.391 1
1 1047 . 15 1 1 A 85 85 GLU CB C 85 30.033 29.273 0.760 1
1 1049 . 15 1 1 A 85 85 GLU N N 85 119.645 118.534 1.111 1
1 1050 . 15 1 1 A 86 86 ARG H H 86 8.467 8.100 0.367 1
1 1051 . 15 1 1 A 86 86 ARG HA H 86 4.030 4.043 -0.013 1
1 1058 . 15 1 1 A 86 86 ARG C C 86 177.790 176.502 1.288 1
1 1059 . 15 1 1 A 86 86 ARG CA C 86 58.556 59.255 -0.699 1
1 1060 . 15 1 1 A 86 86 ARG CB C 86 30.377 30.056 0.321 1
1 1063 . 15 1 1 A 86 86 ARG N N 86 119.408 120.542 -1.134 1
1 1064 . 15 1 1 A 87 87 SER H H 87 7.851 7.835 0.016 1
1 1065 . 15 1 1 A 87 87 SER HA H 87 4.369 4.312 0.057 1
1 1068 . 15 1 1 A 87 87 SER C C 87 175.282 173.727 1.555 1
1 1069 . 15 1 1 A 87 87 SER CA C 87 60.271 60.413 -0.142 1
1 1070 . 15 1 1 A 87 87 SER CB C 87 63.601 63.735 -0.134 1
1 1071 . 15 1 1 A 87 87 SER N N 87 115.071 114.171 0.900 1
1 1072 . 15 1 1 A 88 88 GLU H H 88 7.891 9.196 -1.305 1
1 1073 . 15 1 1 A 88 88 GLU HA H 88 4.316 4.610 -0.294 1
1 1078 . 15 1 1 A 88 88 GLU C C 88 176.801 176.712 0.089 1
1 1079 . 15 1 1 A 88 88 GLU CA C 88 57.036 57.334 -0.298 1
1 1080 . 15 1 1 A 88 88 GLU CB C 88 30.024 31.802 -1.778 1
1 1082 . 15 1 1 A 88 88 GLU N N 88 121.067 125.366 -4.299 1
1 1083 . 15 1 1 A 89 89 SER H H 89 7.934 8.121 -0.187 1
1 1084 . 15 1 1 A 89 89 SER HA H 89 4.503 4.711 -0.208 1
1 1087 . 15 1 1 A 89 89 SER C C 89 174.624 173.524 1.100 1
1 1088 . 15 1 1 A 89 89 SER CA C 89 58.875 57.035 1.840 1
1 1089 . 15 1 1 A 89 89 SER CB C 89 64.040 64.082 -0.042 1
1 1090 . 15 1 1 A 89 89 SER N N 89 115.241 113.648 1.593 1
1 1091 . 15 1 1 A 90 90 GLY H H 90 8.062 8.089 -0.027 1
1 1092 . 15 1 1 A 90 90 GLY HA2 H 90 4.210 4.177 0.033 1
1 1093 . 15 1 1 A 90 90 GLY HA3 H 90 4.083 4.177 -0.094 1
1 1094 . 15 1 1 A 90 90 GLY C C 90 171.774 172.334 -0.560 1
1 1095 . 15 1 1 A 90 90 GLY CA C 90 44.872 44.423 0.449 1
1 1096 . 15 1 1 A 90 90 GLY N N 90 110.384 110.003 0.381 1
1 1097 . 15 1 1 A 91 91 PRO HA H 91 4.495 4.700 -0.205 1
1 1104 . 15 1 1 A 91 91 PRO C C 91 177.475 175.087 2.388 1
1 1105 . 15 1 1 A 91 91 PRO CA C 91 63.295 62.727 0.568 1
1 1106 . 15 1 1 A 91 91 PRO CB C 91 32.234 30.755 1.479 1
1 1109 . 15 1 1 A 92 92 SER H H 92 8.557 8.287 0.270 1
1 1110 . 15 1 1 A 92 92 SER HA H 92 4.575 4.961 -0.386 1
1 1113 . 15 1 1 A 92 92 SER C C 92 174.736 172.399 2.337 1
1 1114 . 15 1 1 A 92 92 SER CA C 92 58.380 57.509 0.871 1
1 1115 . 15 1 1 A 92 92 SER CB C 92 64.221 65.745 -1.524 1
1 1 . 16 1 1 A 6 6 SER H H 6 8.063 7.879 0.184 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.493 4.737 -0.244 1
1 5 . 16 1 1 A 6 6 SER CA C 6 59.071 57.252 1.819 1
1 6 . 16 1 1 A 6 6 SER CB C 6 63.626 62.335 1.291 1
1 7 . 16 1 1 A 7 7 GLY H H 7 8.424 9.098 -0.674 1
1 8 . 16 1 1 A 7 7 GLY HA2 H 7 3.985 4.042 -0.057 1
1 9 . 16 1 1 A 7 7 GLY HA3 H 7 3.834 4.042 -0.208 1
1 10 . 16 1 1 A 7 7 GLY CA C 7 47.092 46.239 0.853 1
1 11 . 16 1 1 A 7 7 GLY N N 7 109.548 112.183 -2.635 1
1 12 . 16 1 1 A 8 8 ILE H H 8 7.565 7.866 -0.301 1
1 13 . 16 1 1 A 8 8 ILE HA H 8 3.883 4.832 -0.949 1
1 23 . 16 1 1 A 8 8 ILE CA C 8 63.805 60.232 3.573 1
1 24 . 16 1 1 A 8 8 ILE CB C 8 37.866 39.008 -1.142 1
1 28 . 16 1 1 A 8 8 ILE N N 8 123.348 121.572 1.776 1
1 29 . 16 1 1 A 9 9 VAL H H 9 7.538 8.489 -0.951 1
1 30 . 16 1 1 A 9 9 VAL HA H 9 3.471 4.676 -1.205 1
1 38 . 16 1 1 A 9 9 VAL CA C 9 66.382 59.656 6.726 1
1 39 . 16 1 1 A 9 9 VAL CB C 9 31.755 33.734 -1.979 1
1 42 . 16 1 1 A 9 9 VAL N N 9 121.471 126.637 -5.166 1
1 43 . 16 1 1 A 10 10 LEU H H 10 7.941 9.045 -1.104 1
1 44 . 16 1 1 A 10 10 LEU HA H 10 3.848 3.903 -0.055 1
1 54 . 16 1 1 A 10 10 LEU CA C 10 58.619 57.843 0.776 1
1 55 . 16 1 1 A 10 10 LEU CB C 10 41.377 41.581 -0.204 1
1 59 . 16 1 1 A 10 10 LEU N N 10 119.521 129.499 -9.978 1
1 60 . 16 1 1 A 11 11 LEU H H 11 8.207 7.973 0.234 1
1 61 . 16 1 1 A 11 11 LEU HA H 11 3.792 4.139 -0.347 1
1 71 . 16 1 1 A 11 11 LEU CA C 11 58.241 57.929 0.312 1
1 72 . 16 1 1 A 11 11 LEU CB C 11 41.790 41.480 0.310 1
1 76 . 16 1 1 A 11 11 LEU N N 11 119.938 119.799 0.139 1
1 77 . 16 1 1 A 12 12 ARG H H 12 7.904 8.525 -0.621 1
1 78 . 16 1 1 A 12 12 ARG HA H 12 3.966 3.974 -0.008 1
1 85 . 16 1 1 A 12 12 ARG CA C 12 59.301 59.052 0.249 1
1 86 . 16 1 1 A 12 12 ARG CB C 12 30.132 29.932 0.200 1
1 89 . 16 1 1 A 12 12 ARG N N 12 116.799 119.082 -2.283 1
1 90 . 16 1 1 A 13 13 GLY H H 13 8.190 8.384 -0.194 1
1 91 . 16 1 1 A 13 13 GLY HA2 H 13 3.740 3.787 -0.047 1
1 92 . 16 1 1 A 13 13 GLY HA3 H 13 3.437 3.796 -0.359 1
1 93 . 16 1 1 A 13 13 GLY CA C 13 47.988 46.888 1.100 1
1 94 . 16 1 1 A 13 13 GLY N N 13 107.618 108.342 -0.724 1
1 95 . 16 1 1 A 14 14 LEU H H 14 8.515 8.331 0.184 1
1 96 . 16 1 1 A 14 14 LEU HA H 14 3.785 3.959 -0.174 1
1 106 . 16 1 1 A 14 14 LEU C C 14 178.232 178.417 -0.185 1
1 107 . 16 1 1 A 14 14 LEU CA C 14 57.401 57.912 -0.511 1
1 108 . 16 1 1 A 14 14 LEU CB C 14 41.981 41.572 0.409 1
1 112 . 16 1 1 A 14 14 LEU N N 14 120.161 122.994 -2.833 1
1 113 . 16 1 1 A 15 15 GLU H H 15 7.931 8.400 -0.469 1
1 114 . 16 1 1 A 15 15 GLU HA H 15 4.030 3.844 0.186 1
1 119 . 16 1 1 A 15 15 GLU CA C 15 57.961 59.695 -1.734 1
1 120 . 16 1 1 A 15 15 GLU CB C 15 30.140 29.182 0.958 1
1 122 . 16 1 1 A 15 15 GLU N N 15 114.703 116.983 -2.280 1
1 123 . 16 1 1 A 16 16 CYS H H 16 7.612 7.904 -0.292 1
1 124 . 16 1 1 A 16 16 CYS HA H 16 4.457 4.060 0.397 1
1 127 . 16 1 1 A 16 16 CYS CA C 16 60.982 62.362 -1.380 1
1 128 . 16 1 1 A 16 16 CYS CB C 16 27.917 26.691 1.226 1
1 129 . 16 1 1 A 16 16 CYS N N 16 114.695 118.755 -4.060 1
1 130 . 16 1 1 A 17 17 ILE H H 17 7.142 7.379 -0.237 1
1 131 . 16 1 1 A 17 17 ILE HA H 17 4.533 4.355 0.178 1
1 141 . 16 1 1 A 17 17 ILE CA C 17 61.521 60.560 0.961 1
1 142 . 16 1 1 A 17 17 ILE CB C 17 39.206 39.241 -0.035 1
1 146 . 16 1 1 A 17 17 ILE N N 17 115.031 116.809 -1.778 1
1 147 . 16 1 1 A 18 18 ASN H H 18 8.325 9.149 -0.824 1
1 148 . 16 1 1 A 18 18 ASN HA H 18 4.575 4.790 -0.215 1
1 153 . 16 1 1 A 18 18 ASN C C 18 175.171 177.081 -1.910 1
1 154 . 16 1 1 A 18 18 ASN CA C 18 53.278 53.186 0.092 1
1 155 . 16 1 1 A 18 18 ASN CB C 18 38.419 38.949 -0.530 1
1 156 . 16 1 1 A 18 18 ASN N N 18 119.943 121.741 -1.798 1
1 158 . 16 1 1 A 19 19 LYS H H 19 8.514 8.799 -0.285 1
1 159 . 16 1 1 A 19 19 LYS HA H 19 4.242 4.193 0.049 1
1 168 . 16 1 1 A 19 19 LYS C C 19 178.868 178.722 0.146 1
1 169 . 16 1 1 A 19 19 LYS CA C 19 60.006 60.175 -0.169 1
1 170 . 16 1 1 A 19 19 LYS CB C 19 32.291 32.375 -0.084 1
1 174 . 16 1 1 A 19 19 LYS N N 19 118.191 122.915 -4.724 1
1 175 . 16 1 1 A 20 20 HIS H H 20 8.328 8.218 0.110 1
1 176 . 16 1 1 A 20 20 HIS HA H 20 4.371 4.194 0.177 1
1 181 . 16 1 1 A 20 20 HIS C C 20 178.335 176.947 1.388 1
1 182 . 16 1 1 A 20 20 HIS CA C 20 59.785 59.468 0.317 1
1 183 . 16 1 1 A 20 20 HIS CB C 20 29.879 30.024 -0.145 1
1 186 . 16 1 1 A 20 20 HIS N N 20 120.900 119.545 1.355 1
1 187 . 16 1 1 A 21 21 TYR H H 21 8.464 7.958 0.506 1
1 188 . 16 1 1 A 21 21 TYR HA H 21 4.540 4.009 0.531 1
1 195 . 16 1 1 A 21 21 TYR C C 21 178.222 178.563 -0.341 1
1 196 . 16 1 1 A 21 21 TYR CA C 21 61.863 61.550 0.313 1
1 197 . 16 1 1 A 21 21 TYR CB C 21 38.012 38.081 -0.069 1
1 202 . 16 1 1 A 21 21 TYR N N 21 118.132 117.125 1.007 1
1 203 . 16 1 1 A 22 22 PHE H H 22 9.095 8.347 0.748 1
1 204 . 16 1 1 A 22 22 PHE HA H 22 4.616 4.087 0.529 1
1 212 . 16 1 1 A 22 22 PHE C C 22 177.409 177.594 -0.185 1
1 213 . 16 1 1 A 22 22 PHE CA C 22 59.761 61.772 -2.011 1
1 214 . 16 1 1 A 22 22 PHE CB C 22 38.982 39.343 -0.361 1
1 220 . 16 1 1 A 22 22 PHE N N 22 121.771 121.112 0.659 1
1 221 . 16 1 1 A 23 23 SER H H 23 8.400 8.489 -0.089 1
1 222 . 16 1 1 A 23 23 SER HA H 23 3.785 3.972 -0.187 1
1 225 . 16 1 1 A 23 23 SER C C 23 177.318 177.060 0.258 1
1 226 . 16 1 1 A 23 23 SER CA C 23 62.453 61.116 1.337 1
1 227 . 16 1 1 A 23 23 SER CB C 23 62.279 62.989 -0.710 1
1 228 . 16 1 1 A 23 23 SER N N 23 115.511 113.675 1.836 1
1 229 . 16 1 1 A 24 24 LEU H H 24 7.737 8.379 -0.642 1
1 230 . 16 1 1 A 24 24 LEU HA H 24 4.118 4.036 0.082 1
1 240 . 16 1 1 A 24 24 LEU C C 24 178.956 179.102 -0.146 1
1 241 . 16 1 1 A 24 24 LEU CA C 24 57.992 57.594 0.398 1
1 242 . 16 1 1 A 24 24 LEU CB C 24 42.066 42.221 -0.155 1
1 246 . 16 1 1 A 24 24 LEU N N 24 123.378 122.459 0.919 1
1 247 . 16 1 1 A 25 25 PHE H H 25 8.643 7.631 1.012 1
1 248 . 16 1 1 A 25 25 PHE HA H 25 3.475 3.260 0.215 1
1 256 . 16 1 1 A 25 25 PHE C C 25 176.905 176.833 0.072 1
1 257 . 16 1 1 A 25 25 PHE CA C 25 61.196 61.348 -0.152 1
1 258 . 16 1 1 A 25 25 PHE CB C 25 38.741 38.640 0.101 1
1 264 . 16 1 1 A 25 25 PHE N N 25 122.640 118.014 4.626 1
1 265 . 16 1 1 A 26 26 LYS H H 26 8.022 7.695 0.327 1
1 266 . 16 1 1 A 26 26 LYS HA H 26 3.197 3.567 -0.370 1
1 275 . 16 1 1 A 26 26 LYS C C 26 177.424 178.780 -1.356 1
1 276 . 16 1 1 A 26 26 LYS CA C 26 61.439 59.255 2.184 1
1 277 . 16 1 1 A 26 26 LYS CB C 26 32.363 31.648 0.715 1
1 281 . 16 1 1 A 26 26 LYS N N 26 116.023 117.652 -1.629 1
1 282 . 16 1 1 A 27 27 SER H H 27 7.473 7.449 0.024 1
1 283 . 16 1 1 A 27 27 SER HA H 27 4.134 4.091 0.043 1
1 286 . 16 1 1 A 27 27 SER C C 27 177.449 176.499 0.950 1
1 287 . 16 1 1 A 27 27 SER CA C 27 61.544 62.515 -0.971 1
1 288 . 16 1 1 A 27 27 SER CB C 27 62.828 62.876 -0.048 1
1 289 . 16 1 1 A 27 27 SER N N 27 111.668 116.563 -4.895 1
1 290 . 16 1 1 A 28 28 LEU H H 28 7.625 8.008 -0.383 1
1 291 . 16 1 1 A 28 28 LEU HA H 28 4.117 3.931 0.186 1
1 301 . 16 1 1 A 28 28 LEU C C 28 179.076 178.629 0.447 1
1 302 . 16 1 1 A 28 28 LEU CA C 28 57.336 57.787 -0.451 1
1 303 . 16 1 1 A 28 28 LEU CB C 28 41.585 41.592 -0.007 1
1 307 . 16 1 1 A 28 28 LEU N N 28 123.121 120.613 2.508 1
1 308 . 16 1 1 A 29 29 LEU H H 29 7.391 7.612 -0.221 1
1 309 . 16 1 1 A 29 29 LEU HA H 29 4.276 4.032 0.244 1
1 319 . 16 1 1 A 29 29 LEU C C 29 177.606 178.015 -0.409 1
1 320 . 16 1 1 A 29 29 LEU CA C 29 54.243 56.802 -2.559 1
1 321 . 16 1 1 A 29 29 LEU CB C 29 41.665 41.722 -0.057 1
1 325 . 16 1 1 A 29 29 LEU N N 29 119.910 118.517 1.393 1
1 326 . 16 1 1 A 30 30 ALA H H 30 7.242 8.444 -1.202 1
1 327 . 16 1 1 A 30 30 ALA HA H 30 3.505 3.946 -0.441 1
1 331 . 16 1 1 A 30 30 ALA C C 30 179.568 179.679 -0.111 1
1 332 . 16 1 1 A 30 30 ALA CA C 30 56.470 55.443 1.027 1
1 333 . 16 1 1 A 30 30 ALA CB C 30 18.818 18.560 0.258 1
1 334 . 16 1 1 A 30 30 ALA N N 30 122.470 121.789 0.681 1
1 335 . 16 1 1 A 31 31 ARG H H 31 8.256 8.006 0.250 1
1 336 . 16 1 1 A 31 31 ARG HA H 31 4.142 4.057 0.085 1
1 343 . 16 1 1 A 31 31 ARG C C 31 179.303 178.040 1.263 1
1 344 . 16 1 1 A 31 31 ARG CA C 31 58.917 58.838 0.079 1
1 345 . 16 1 1 A 31 31 ARG CB C 31 29.407 30.096 -0.689 1
1 348 . 16 1 1 A 31 31 ARG N N 31 116.240 116.988 -0.748 1
1 349 . 16 1 1 A 32 32 ASP H H 32 8.205 8.082 0.123 1
1 350 . 16 1 1 A 32 32 ASP HA H 32 4.334 4.319 0.015 1
1 353 . 16 1 1 A 32 32 ASP C C 32 177.470 178.681 -1.211 1
1 354 . 16 1 1 A 32 32 ASP CA C 32 57.336 57.069 0.267 1
1 355 . 16 1 1 A 32 32 ASP CB C 32 41.582 40.870 0.712 1
1 356 . 16 1 1 A 32 32 ASP N N 32 120.398 120.399 -0.001 1
1 357 . 16 1 1 A 33 33 LEU H H 33 7.933 8.130 -0.197 1
1 358 . 16 1 1 A 33 33 LEU HA H 33 4.206 4.134 0.072 1
1 368 . 16 1 1 A 33 33 LEU C C 33 175.261 176.632 -1.371 1
1 369 . 16 1 1 A 33 33 LEU CA C 33 53.700 55.870 -2.170 1
1 370 . 16 1 1 A 33 33 LEU CB C 33 41.306 41.763 -0.457 1
1 374 . 16 1 1 A 33 33 LEU N N 33 113.338 118.314 -4.976 1
1 375 . 16 1 1 A 34 34 ASN H H 34 7.688 8.035 -0.347 1
1 376 . 16 1 1 A 34 34 ASN HA H 34 4.307 4.266 0.041 1
1 381 . 16 1 1 A 34 34 ASN C C 34 175.092 174.563 0.529 1
1 382 . 16 1 1 A 34 34 ASN CA C 34 53.960 54.347 -0.387 1
1 383 . 16 1 1 A 34 34 ASN CB C 34 37.073 36.954 0.119 1
1 384 . 16 1 1 A 34 34 ASN N N 34 116.912 115.587 1.325 1
1 386 . 16 1 1 A 35 35 LEU H H 35 8.177 7.646 0.531 1
1 387 . 16 1 1 A 35 35 LEU HA H 35 4.008 4.273 -0.265 1
1 397 . 16 1 1 A 35 35 LEU C C 35 177.637 177.033 0.604 1
1 398 . 16 1 1 A 35 35 LEU CA C 35 54.233 54.873 -0.640 1
1 399 . 16 1 1 A 35 35 LEU CB C 35 41.024 42.432 -1.408 1
1 403 . 16 1 1 A 35 35 LEU N N 35 115.363 118.849 -3.486 1
1 404 . 16 1 1 A 36 36 GLU H H 36 8.419 8.861 -0.442 1
1 405 . 16 1 1 A 36 36 GLU HA H 36 4.175 4.498 -0.323 1
1 410 . 16 1 1 A 36 36 GLU C C 36 177.626 177.867 -0.241 1
1 411 . 16 1 1 A 36 36 GLU CA C 36 56.872 55.903 0.969 1
1 412 . 16 1 1 A 36 36 GLU CB C 36 29.675 30.913 -1.238 1
1 414 . 16 1 1 A 36 36 GLU N N 36 122.591 119.812 2.779 1
1 415 . 16 1 1 A 37 37 ARG H H 37 8.577 8.737 -0.160 1
1 416 . 16 1 1 A 37 37 ARG HA H 37 3.889 4.252 -0.363 1
1 423 . 16 1 1 A 37 37 ARG C C 37 178.119 177.204 0.915 1
1 424 . 16 1 1 A 37 37 ARG CA C 37 58.924 58.220 0.704 1
1 425 . 16 1 1 A 37 37 ARG CB C 37 30.074 30.907 -0.833 1
1 428 . 16 1 1 A 37 37 ARG N N 37 124.790 122.533 2.257 1
1 429 . 16 1 1 A 38 38 ASP H H 38 8.623 8.072 0.551 1
1 430 . 16 1 1 A 38 38 ASP HA H 38 4.591 4.755 -0.164 1
1 433 . 16 1 1 A 38 38 ASP C C 38 176.021 176.998 -0.977 1
1 434 . 16 1 1 A 38 38 ASP CA C 38 55.073 54.463 0.610 1
1 435 . 16 1 1 A 38 38 ASP CB C 38 40.722 42.630 -1.908 1
1 436 . 16 1 1 A 38 38 ASP N N 38 116.313 115.431 0.882 1
1 437 . 16 1 1 A 39 39 ASN H H 39 7.668 8.000 -0.332 1
1 438 . 16 1 1 A 39 39 ASN HA H 39 4.936 5.008 -0.072 1
1 443 . 16 1 1 A 39 39 ASN C C 39 175.702 175.377 0.325 1
1 444 . 16 1 1 A 39 39 ASN CA C 39 52.626 52.927 -0.301 1
1 445 . 16 1 1 A 39 39 ASN CB C 39 38.966 39.198 -0.232 1
1 446 . 16 1 1 A 39 39 ASN N N 39 116.330 117.434 -1.104 1
1 448 . 16 1 1 A 40 40 GLN H H 40 8.324 7.972 0.352 1
1 449 . 16 1 1 A 40 40 GLN HA H 40 4.285 4.366 -0.081 1
1 456 . 16 1 1 A 40 40 GLN C C 40 178.897 178.624 0.273 1
1 457 . 16 1 1 A 40 40 GLN CA C 40 58.513 58.300 0.213 1
1 458 . 16 1 1 A 40 40 GLN CB C 40 29.225 28.808 0.417 1
1 460 . 16 1 1 A 40 40 GLN N N 40 119.556 119.504 0.052 1
1 462 . 16 1 1 A 41 41 GLU H H 41 8.956 7.991 0.965 1
1 463 . 16 1 1 A 41 41 GLU HA H 41 3.950 4.096 -0.146 1
1 468 . 16 1 1 A 41 41 GLU C C 41 176.712 179.142 -2.430 1
1 469 . 16 1 1 A 41 41 GLU CA C 41 58.716 59.142 -0.426 1
1 470 . 16 1 1 A 41 41 GLU CB C 41 29.124 29.180 -0.056 1
1 472 . 16 1 1 A 41 41 GLU N N 41 121.919 120.169 1.750 1
1 473 . 16 1 1 A 42 42 GLN H H 42 7.634 8.124 -0.490 1
1 474 . 16 1 1 A 42 42 GLN HA H 42 4.052 4.174 -0.122 1
1 481 . 16 1 1 A 42 42 GLN C C 42 176.286 176.215 0.071 1
1 482 . 16 1 1 A 42 42 GLN CA C 42 56.859 57.723 -0.864 1
1 483 . 16 1 1 A 42 42 GLN CB C 42 28.418 27.850 0.568 1
1 485 . 16 1 1 A 42 42 GLN N N 42 114.515 117.117 -2.602 1
1 487 . 16 1 1 A 43 43 TYR H H 43 6.692 7.832 -1.140 1
1 488 . 16 1 1 A 43 43 TYR HA H 43 4.866 4.671 0.195 1
1 495 . 16 1 1 A 43 43 TYR C C 43 177.063 175.492 1.571 1
1 496 . 16 1 1 A 43 43 TYR CA C 43 58.627 58.368 0.259 1
1 497 . 16 1 1 A 43 43 TYR CB C 43 39.628 39.333 0.295 1
1 502 . 16 1 1 A 43 43 TYR N N 43 116.167 120.178 -4.011 1
1 503 . 16 1 1 A 44 44 THR H H 44 8.785 8.870 -0.085 1
1 504 . 16 1 1 A 44 44 THR HA H 44 4.800 5.147 -0.347 1
1 509 . 16 1 1 A 44 44 THR C C 44 176.061 175.104 0.957 1
1 510 . 16 1 1 A 44 44 THR CA C 44 60.519 60.241 0.278 1
1 511 . 16 1 1 A 44 44 THR CB C 44 71.926 71.918 0.008 1
1 513 . 16 1 1 A 44 44 THR N N 44 116.779 111.961 4.818 1
1 514 . 16 1 1 A 45 45 THR H H 45 8.849 8.795 0.054 1
1 515 . 16 1 1 A 45 45 THR HA H 45 3.626 4.038 -0.412 1
1 520 . 16 1 1 A 45 45 THR C C 45 176.458 176.331 0.127 1
1 521 . 16 1 1 A 45 45 THR CA C 45 65.716 64.909 0.807 1
1 522 . 16 1 1 A 45 45 THR CB C 45 67.141 68.561 -1.420 1
1 524 . 16 1 1 A 45 45 THR N N 45 112.579 113.831 -1.252 1
1 525 . 16 1 1 A 46 46 ILE H H 46 7.144 7.896 -0.752 1
1 526 . 16 1 1 A 46 46 ILE HA H 46 3.803 3.747 0.056 1
1 536 . 16 1 1 A 46 46 ILE C C 46 177.573 177.794 -0.221 1
1 537 . 16 1 1 A 46 46 ILE CA C 46 64.078 64.662 -0.584 1
1 538 . 16 1 1 A 46 46 ILE CB C 46 38.733 37.417 1.316 1
1 542 . 16 1 1 A 46 46 ILE N N 46 119.409 122.903 -3.494 1
1 543 . 16 1 1 A 47 47 GLN H H 47 7.552 7.923 -0.371 1
1 544 . 16 1 1 A 47 47 GLN HA H 47 4.124 4.023 0.101 1
1 551 . 16 1 1 A 47 47 GLN C C 47 179.640 178.659 0.981 1
1 552 . 16 1 1 A 47 47 GLN CA C 47 59.282 59.230 0.052 1
1 553 . 16 1 1 A 47 47 GLN CB C 47 29.242 28.610 0.632 1
1 555 . 16 1 1 A 47 47 GLN N N 47 119.564 118.442 1.122 1
1 557 . 16 1 1 A 48 48 ILE H H 48 8.520 8.217 0.303 1
1 558 . 16 1 1 A 48 48 ILE HA H 48 3.861 3.709 0.152 1
1 568 . 16 1 1 A 48 48 ILE C C 48 177.779 177.964 -0.185 1
1 569 . 16 1 1 A 48 48 ILE CA C 48 61.208 65.550 -4.342 1
1 570 . 16 1 1 A 48 48 ILE CB C 48 34.654 38.105 -3.451 1
1 574 . 16 1 1 A 48 48 ILE N N 48 118.052 120.452 -2.400 1
1 575 . 16 1 1 A 49 49 ALA H H 49 8.826 8.402 0.424 1
1 576 . 16 1 1 A 49 49 ALA HA H 49 4.071 4.148 -0.077 1
1 580 . 16 1 1 A 49 49 ALA C C 49 179.849 179.918 -0.069 1
1 581 . 16 1 1 A 49 49 ALA CA C 49 55.909 55.546 0.363 1
1 582 . 16 1 1 A 49 49 ALA CB C 49 18.289 18.550 -0.261 1
1 583 . 16 1 1 A 49 49 ALA N N 49 123.182 122.270 0.912 1
1 584 . 16 1 1 A 50 50 ASN H H 50 8.319 8.198 0.121 1
1 585 . 16 1 1 A 50 50 ASN HA H 50 4.517 4.423 0.094 1
1 590 . 16 1 1 A 50 50 ASN CA C 50 56.309 56.791 -0.482 1
1 591 . 16 1 1 A 50 50 ASN CB C 50 38.198 38.256 -0.058 1
1 592 . 16 1 1 A 50 50 ASN N N 50 116.379 117.526 -1.147 1
1 594 . 16 1 1 A 51 51 MET H H 51 8.233 8.107 0.126 1
1 595 . 16 1 1 A 51 51 MET HA H 51 4.132 4.073 0.059 1
1 603 . 16 1 1 A 51 51 MET CA C 51 59.312 58.582 0.730 1
1 604 . 16 1 1 A 51 51 MET CB C 51 34.763 32.233 2.530 1
1 607 . 16 1 1 A 51 51 MET N N 51 119.934 118.082 1.852 1
1 608 . 16 1 1 A 52 52 MET H H 52 8.926 8.302 0.624 1
1 609 . 16 1 1 A 52 52 MET HA H 52 3.874 4.194 -0.320 1
1 617 . 16 1 1 A 52 52 MET C C 52 177.228 179.017 -1.789 1
1 618 . 16 1 1 A 52 52 MET CA C 52 60.218 58.481 1.737 1
1 619 . 16 1 1 A 52 52 MET CB C 52 33.427 33.083 0.344 1
1 622 . 16 1 1 A 52 52 MET N N 52 120.686 118.732 1.954 1
1 623 . 16 1 1 A 53 53 GLU H H 53 8.111 8.391 -0.280 1
1 624 . 16 1 1 A 53 53 GLU HA H 53 3.863 4.046 -0.183 1
1 629 . 16 1 1 A 53 53 GLU C C 53 177.640 179.451 -1.811 1
1 630 . 16 1 1 A 53 53 GLU CA C 53 59.847 59.785 0.062 1
1 631 . 16 1 1 A 53 53 GLU CB C 53 29.778 29.324 0.454 1
1 633 . 16 1 1 A 53 53 GLU N N 53 119.207 119.046 0.161 1
1 634 . 16 1 1 A 54 54 GLU H H 54 7.030 7.752 -0.722 1
1 635 . 16 1 1 A 54 54 GLU HA H 54 4.014 4.140 -0.126 1
1 640 . 16 1 1 A 54 54 GLU C C 54 178.008 178.654 -0.646 1
1 641 . 16 1 1 A 54 54 GLU CA C 54 58.211 58.855 -0.644 1
1 642 . 16 1 1 A 54 54 GLU CB C 54 30.149 29.845 0.304 1
1 644 . 16 1 1 A 54 54 GLU N N 54 115.049 120.116 -5.067 1
1 645 . 16 1 1 A 55 55 LYS H H 55 7.670 8.202 -0.532 1
1 646 . 16 1 1 A 55 55 LYS HA H 55 3.930 3.864 0.066 1
1 655 . 16 1 1 A 55 55 LYS C C 55 175.986 176.405 -0.419 1
1 656 . 16 1 1 A 55 55 LYS CA C 55 56.405 58.717 -2.312 1
1 657 . 16 1 1 A 55 55 LYS CB C 55 32.705 31.908 0.797 1
1 661 . 16 1 1 A 55 55 LYS N N 55 117.040 120.678 -3.638 1
1 662 . 16 1 1 A 56 56 PHE H H 56 8.079 8.053 0.026 1
1 663 . 16 1 1 A 56 56 PHE HA H 56 5.215 5.019 0.196 1
1 671 . 16 1 1 A 56 56 PHE CA C 56 53.965 54.992 -1.027 1
1 672 . 16 1 1 A 56 56 PHE CB C 56 38.759 39.168 -0.409 1
1 678 . 16 1 1 A 56 56 PHE N N 56 117.341 116.215 1.126 1
1 679 . 16 1 1 A 57 57 PRO HA H 57 4.514 4.573 -0.059 1
1 686 . 16 1 1 A 57 57 PRO CA C 57 64.818 64.177 0.641 1
1 687 . 16 1 1 A 57 57 PRO CB C 57 32.192 31.823 0.369 1
1 690 . 16 1 1 A 58 58 ALA H H 58 8.619 8.277 0.342 1
1 691 . 16 1 1 A 58 58 ALA HA H 58 4.206 4.196 0.010 1
1 695 . 16 1 1 A 58 58 ALA CA C 58 55.406 55.126 0.280 1
1 696 . 16 1 1 A 58 58 ALA CB C 58 18.353 19.575 -1.222 1
1 697 . 16 1 1 A 58 58 ALA N N 58 120.173 121.064 -0.891 1
1 698 . 16 1 1 A 59 59 ASP H H 59 7.515 7.836 -0.321 1
1 699 . 16 1 1 A 59 59 ASP HA H 59 4.810 4.807 0.003 1
1 702 . 16 1 1 A 59 59 ASP CA C 59 52.659 53.305 -0.646 1
1 703 . 16 1 1 A 59 59 ASP CB C 59 41.778 41.888 -0.110 1
1 704 . 16 1 1 A 59 59 ASP N N 59 113.536 115.306 -1.770 1
1 705 . 16 1 1 A 60 60 SER H H 60 8.392 8.714 -0.322 1
1 706 . 16 1 1 A 60 60 SER HA H 60 4.176 4.672 -0.496 1
1 709 . 16 1 1 A 60 60 SER CA C 60 60.221 59.614 0.607 1
1 710 . 16 1 1 A 60 60 SER CB C 60 62.050 61.694 0.356 1
1 711 . 16 1 1 A 60 60 SER N N 60 113.717 112.928 0.789 1
1 712 . 16 1 1 A 61 61 GLY H H 61 8.299 8.380 -0.081 1
1 713 . 16 1 1 A 61 61 GLY HA2 H 61 4.005 3.935 0.070 1
1 714 . 16 1 1 A 61 61 GLY HA3 H 61 3.502 4.130 -0.628 1
1 715 . 16 1 1 A 61 61 GLY CA C 61 45.554 45.268 0.286 1
1 716 . 16 1 1 A 61 61 GLY N N 61 104.225 106.317 -2.092 1
1 717 . 16 1 1 A 62 62 LEU H H 62 7.927 8.232 -0.305 1
1 718 . 16 1 1 A 62 62 LEU HA H 62 3.915 3.987 -0.072 1
1 728 . 16 1 1 A 62 62 LEU CA C 62 58.075 57.975 0.100 1
1 729 . 16 1 1 A 62 62 LEU CB C 62 41.731 42.020 -0.289 1
1 733 . 16 1 1 A 62 62 LEU N N 62 122.094 122.856 -0.762 1
1 734 . 16 1 1 A 63 63 GLY H H 63 8.566 8.137 0.429 1
1 735 . 16 1 1 A 63 63 GLY HA2 H 63 3.847 3.706 0.141 1
1 736 . 16 1 1 A 63 63 GLY HA3 H 63 3.592 3.723 -0.131 1
1 737 . 16 1 1 A 63 63 GLY CA C 63 47.146 47.200 -0.054 1
1 738 . 16 1 1 A 63 63 GLY N N 63 105.732 106.279 -0.547 1
1 739 . 16 1 1 A 64 64 LYS H H 64 7.509 8.145 -0.636 1
1 740 . 16 1 1 A 64 64 LYS HA H 64 4.115 3.934 0.181 1
1 749 . 16 1 1 A 64 64 LYS C C 64 179.856 179.101 0.755 1
1 750 . 16 1 1 A 64 64 LYS CA C 64 57.768 59.204 -1.436 1
1 751 . 16 1 1 A 64 64 LYS CB C 64 31.542 32.055 -0.513 1
1 755 . 16 1 1 A 64 64 LYS N N 64 120.697 121.934 -1.237 1
1 756 . 16 1 1 A 65 65 LEU H H 65 7.544 8.112 -0.568 1
1 757 . 16 1 1 A 65 65 LEU HA H 65 4.219 3.939 0.280 1
1 767 . 16 1 1 A 65 65 LEU C C 65 178.606 178.572 0.034 1
1 768 . 16 1 1 A 65 65 LEU CA C 65 57.675 58.154 -0.479 1
1 769 . 16 1 1 A 65 65 LEU CB C 65 41.040 41.752 -0.712 1
1 773 . 16 1 1 A 65 65 LEU N N 65 120.399 120.795 -0.396 1
1 774 . 16 1 1 A 66 66 ILE H H 66 8.605 8.199 0.406 1
1 775 . 16 1 1 A 66 66 ILE HA H 66 3.271 3.641 -0.370 1
1 785 . 16 1 1 A 66 66 ILE C C 66 176.721 177.856 -1.135 1
1 786 . 16 1 1 A 66 66 ILE CA C 66 67.612 65.304 2.308 1
1 787 . 16 1 1 A 66 66 ILE CB C 66 38.006 37.672 0.334 1
1 791 . 16 1 1 A 66 66 ILE N N 66 121.170 119.744 1.426 1
1 792 . 16 1 1 A 67 67 GLU H H 67 8.157 8.073 0.084 1
1 793 . 16 1 1 A 67 67 GLU HA H 67 4.007 3.957 0.050 1
1 798 . 16 1 1 A 67 67 GLU C C 67 178.848 179.079 -0.231 1
1 799 . 16 1 1 A 67 67 GLU CA C 67 59.476 59.772 -0.296 1
1 800 . 16 1 1 A 67 67 GLU CB C 67 30.055 29.454 0.601 1
1 802 . 16 1 1 A 67 67 GLU N N 67 118.066 119.140 -1.074 1
1 803 . 16 1 1 A 68 68 PHE H H 68 7.673 7.960 -0.287 1
1 804 . 16 1 1 A 68 68 PHE HA H 68 4.393 4.024 0.369 1
1 812 . 16 1 1 A 68 68 PHE C C 68 176.609 177.558 -0.949 1
1 813 . 16 1 1 A 68 68 PHE CA C 68 60.660 61.800 -1.140 1
1 814 . 16 1 1 A 68 68 PHE CB C 68 39.666 39.505 0.161 1
1 820 . 16 1 1 A 68 68 PHE N N 68 119.383 120.623 -1.240 1
1 821 . 16 1 1 A 69 69 CYS H H 69 8.137 7.865 0.272 1
1 822 . 16 1 1 A 69 69 CYS HA H 69 3.714 3.594 0.120 1
1 825 . 16 1 1 A 69 69 CYS C C 69 175.221 177.130 -1.909 1
1 826 . 16 1 1 A 69 69 CYS CA C 69 62.782 63.424 -0.642 1
1 827 . 16 1 1 A 69 69 CYS CB C 69 26.732 26.858 -0.126 1
1 828 . 16 1 1 A 69 69 CYS N N 69 115.218 116.398 -1.180 1
1 829 . 16 1 1 A 70 70 GLU H H 70 8.108 7.910 0.198 1
1 830 . 16 1 1 A 70 70 GLU HA H 70 3.739 3.940 -0.201 1
1 835 . 16 1 1 A 70 70 GLU C C 70 178.404 179.113 -0.709 1
1 836 . 16 1 1 A 70 70 GLU CA C 70 58.839 59.445 -0.606 1
1 837 . 16 1 1 A 70 70 GLU CB C 70 30.149 29.177 0.972 1
1 839 . 16 1 1 A 70 70 GLU N N 70 113.937 119.951 -6.014 1
1 840 . 16 1 1 A 71 71 GLU H H 71 7.306 7.526 -0.220 1
1 841 . 16 1 1 A 71 71 GLU HA H 71 4.148 4.097 0.051 1
1 846 . 16 1 1 A 71 71 GLU C C 71 176.363 177.642 -1.279 1
1 847 . 16 1 1 A 71 71 GLU CA C 71 56.943 59.010 -2.067 1
1 848 . 16 1 1 A 71 71 GLU CB C 71 30.374 29.466 0.908 1
1 850 . 16 1 1 A 71 71 GLU N N 71 117.591 120.422 -2.831 1
1 851 . 16 1 1 A 72 72 VAL H H 72 7.055 7.307 -0.252 1
1 852 . 16 1 1 A 72 72 VAL HA H 72 4.220 4.040 0.180 1
1 860 . 16 1 1 A 72 72 VAL C C 72 174.906 175.648 -0.742 1
1 861 . 16 1 1 A 72 72 VAL CA C 72 59.360 59.979 -0.619 1
1 862 . 16 1 1 A 72 72 VAL CB C 72 33.462 31.442 2.020 1
1 865 . 16 1 1 A 72 72 VAL N N 72 122.531 120.212 2.319 1
1 866 . 16 1 1 A 73 73 PRO HA H 73 3.887 4.452 -0.565 1
1 873 . 16 1 1 A 73 73 PRO C C 73 179.162 176.858 2.304 1
1 874 . 16 1 1 A 73 73 PRO CA C 73 66.658 64.128 2.530 1
1 875 . 16 1 1 A 73 73 PRO CB C 73 31.819 31.632 0.187 1
1 878 . 16 1 1 A 74 74 ALA H H 74 8.188 8.172 0.016 1
1 879 . 16 1 1 A 74 74 ALA HA H 74 4.217 4.331 -0.114 1
1 883 . 16 1 1 A 74 74 ALA C C 74 178.535 178.317 0.218 1
1 884 . 16 1 1 A 74 74 ALA CA C 74 54.149 53.131 1.018 1
1 885 . 16 1 1 A 74 74 ALA CB C 74 19.305 19.657 -0.352 1
1 886 . 16 1 1 A 74 74 ALA N N 74 116.317 121.016 -4.699 1
1 887 . 16 1 1 A 75 75 LEU H H 75 8.188 7.352 0.836 1
1 888 . 16 1 1 A 75 75 LEU HA H 75 4.607 4.308 0.299 1
1 898 . 16 1 1 A 75 75 LEU C C 75 177.094 177.503 -0.409 1
1 899 . 16 1 1 A 75 75 LEU CA C 75 53.645 54.547 -0.902 1
1 900 . 16 1 1 A 75 75 LEU CB C 75 42.633 42.300 0.333 1
1 904 . 16 1 1 A 75 75 LEU N N 75 116.296 114.652 1.644 1
1 905 . 16 1 1 A 76 76 ARG H H 76 7.332 7.618 -0.286 1
1 906 . 16 1 1 A 76 76 ARG HA H 76 3.789 3.840 -0.051 1
1 913 . 16 1 1 A 76 76 ARG C C 76 179.457 178.928 0.529 1
1 914 . 16 1 1 A 76 76 ARG CA C 76 60.815 60.124 0.691 1
1 915 . 16 1 1 A 76 76 ARG CB C 76 29.535 29.997 -0.462 1
1 918 . 16 1 1 A 76 76 ARG N N 76 122.654 120.481 2.173 1
1 919 . 16 1 1 A 77 77 LYS H H 77 8.489 7.888 0.601 1
1 920 . 16 1 1 A 77 77 LYS HA H 77 4.118 3.916 0.202 1
1 929 . 16 1 1 A 77 77 LYS C C 77 179.135 178.261 0.874 1
1 930 . 16 1 1 A 77 77 LYS CA C 77 58.963 59.075 -0.112 1
1 931 . 16 1 1 A 77 77 LYS CB C 77 31.113 32.096 -0.983 1
1 935 . 16 1 1 A 77 77 LYS N N 77 119.343 119.380 -0.037 1
1 936 . 16 1 1 A 78 78 ARG H H 78 7.626 7.768 -0.142 1
1 937 . 16 1 1 A 78 78 ARG HA H 78 3.931 4.064 -0.133 1
1 944 . 16 1 1 A 78 78 ARG C C 78 178.200 178.191 0.009 1
1 945 . 16 1 1 A 78 78 ARG CA C 78 56.415 58.497 -2.082 1
1 946 . 16 1 1 A 78 78 ARG CB C 78 27.010 29.728 -2.718 1
1 949 . 16 1 1 A 78 78 ARG N N 78 120.202 119.297 0.905 1
1 950 . 16 1 1 A 79 79 ALA H H 79 8.138 8.426 -0.288 1
1 951 . 16 1 1 A 79 79 ALA HA H 79 3.837 4.035 -0.198 1
1 955 . 16 1 1 A 79 79 ALA C C 79 178.684 179.643 -0.959 1
1 956 . 16 1 1 A 79 79 ALA CA C 79 55.692 54.964 0.728 1
1 957 . 16 1 1 A 79 79 ALA CB C 79 18.376 18.569 -0.193 1
1 958 . 16 1 1 A 79 79 ALA N N 79 120.388 122.266 -1.878 1
1 959 . 16 1 1 A 80 80 GLU H H 80 7.437 7.950 -0.513 1
1 960 . 16 1 1 A 80 80 GLU HA H 80 3.877 4.082 -0.205 1
1 965 . 16 1 1 A 80 80 GLU C C 80 179.640 178.797 0.843 1
1 966 . 16 1 1 A 80 80 GLU CA C 80 59.370 59.066 0.304 1
1 967 . 16 1 1 A 80 80 GLU CB C 80 29.445 29.469 -0.024 1
1 969 . 16 1 1 A 80 80 GLU N N 80 115.384 116.493 -1.109 1
1 970 . 16 1 1 A 81 81 ILE H H 81 7.721 7.634 0.087 1
1 971 . 16 1 1 A 81 81 ILE HA H 81 3.675 3.671 0.004 1
1 981 . 16 1 1 A 81 81 ILE C C 81 178.179 178.402 -0.223 1
1 982 . 16 1 1 A 81 81 ILE CA C 81 65.187 65.134 0.053 1
1 983 . 16 1 1 A 81 81 ILE CB C 81 38.471 37.637 0.834 1
1 987 . 16 1 1 A 81 81 ILE N N 81 121.563 121.288 0.275 1
1 988 . 16 1 1 A 82 82 LEU H H 82 8.374 8.366 0.008 1
1 989 . 16 1 1 A 82 82 LEU HA H 82 3.930 4.068 -0.138 1
1 999 . 16 1 1 A 82 82 LEU C C 82 179.279 179.078 0.201 1
1 1000 . 16 1 1 A 82 82 LEU CA C 82 58.038 56.852 1.186 1
1 1001 . 16 1 1 A 82 82 LEU CB C 82 42.869 41.486 1.383 1
1 1005 . 16 1 1 A 82 82 LEU N N 82 119.839 120.254 -0.415 1
1 1006 . 16 1 1 A 83 83 LYS H H 83 8.153 7.675 0.478 1
1 1007 . 16 1 1 A 83 83 LYS HA H 83 3.740 4.184 -0.444 1
1 1016 . 16 1 1 A 83 83 LYS C C 83 179.548 179.078 0.470 1
1 1017 . 16 1 1 A 83 83 LYS CA C 83 60.433 58.760 1.673 1
1 1018 . 16 1 1 A 83 83 LYS CB C 83 32.703 33.044 -0.341 1
1 1022 . 16 1 1 A 83 83 LYS N N 83 117.092 120.253 -3.161 1
1 1023 . 16 1 1 A 84 84 LYS H H 84 7.705 7.942 -0.237 1
1 1024 . 16 1 1 A 84 84 LYS HA H 84 4.101 3.972 0.129 1
1 1033 . 16 1 1 A 84 84 LYS C C 84 179.082 179.067 0.015 1
1 1034 . 16 1 1 A 84 84 LYS CA C 84 59.120 59.817 -0.697 1
1 1035 . 16 1 1 A 84 84 LYS CB C 84 32.291 32.291 0.000 1
1 1039 . 16 1 1 A 84 84 LYS N N 84 121.473 121.343 0.130 1
1 1040 . 16 1 1 A 85 85 GLU H H 85 8.567 7.893 0.674 1
1 1041 . 16 1 1 A 85 85 GLU HA H 85 4.013 4.072 -0.059 1
1 1046 . 16 1 1 A 85 85 GLU CA C 85 59.360 59.216 0.144 1
1 1047 . 16 1 1 A 85 85 GLU CB C 85 30.033 29.047 0.986 1
1 1049 . 16 1 1 A 85 85 GLU N N 85 119.645 117.644 2.001 1
1 1050 . 16 1 1 A 86 86 ARG H H 86 8.467 8.066 0.401 1
1 1051 . 16 1 1 A 86 86 ARG HA H 86 4.030 4.084 -0.054 1
1 1058 . 16 1 1 A 86 86 ARG C C 86 177.790 176.129 1.661 1
1 1059 . 16 1 1 A 86 86 ARG CA C 86 58.556 59.278 -0.722 1
1 1060 . 16 1 1 A 86 86 ARG CB C 86 30.377 29.957 0.420 1
1 1063 . 16 1 1 A 86 86 ARG N N 86 119.408 120.388 -0.980 1
1 1064 . 16 1 1 A 87 87 SER H H 87 7.851 7.251 0.600 1
1 1065 . 16 1 1 A 87 87 SER HA H 87 4.369 4.263 0.106 1
1 1068 . 16 1 1 A 87 87 SER C C 87 175.282 175.254 0.028 1
1 1069 . 16 1 1 A 87 87 SER CA C 87 60.271 58.691 1.580 1
1 1070 . 16 1 1 A 87 87 SER CB C 87 63.601 63.906 -0.305 1
1 1071 . 16 1 1 A 87 87 SER N N 87 115.071 112.817 2.254 1
1 1072 . 16 1 1 A 88 88 GLU H H 88 7.891 8.763 -0.872 1
1 1073 . 16 1 1 A 88 88 GLU HA H 88 4.316 4.231 0.085 1
1 1078 . 16 1 1 A 88 88 GLU C C 88 176.801 177.864 -1.063 1
1 1079 . 16 1 1 A 88 88 GLU CA C 88 57.036 58.649 -1.613 1
1 1080 . 16 1 1 A 88 88 GLU CB C 88 30.024 30.130 -0.106 1
1 1082 . 16 1 1 A 88 88 GLU N N 88 121.067 121.436 -0.369 1
1 1083 . 16 1 1 A 89 89 SER H H 89 7.934 8.148 -0.214 1
1 1084 . 16 1 1 A 89 89 SER HA H 89 4.503 4.649 -0.146 1
1 1087 . 16 1 1 A 89 89 SER C C 89 174.624 174.252 0.372 1
1 1088 . 16 1 1 A 89 89 SER CA C 89 58.875 59.057 -0.182 1
1 1089 . 16 1 1 A 89 89 SER CB C 89 64.040 65.549 -1.509 1
1 1090 . 16 1 1 A 89 89 SER N N 89 115.241 113.656 1.585 1
1 1091 . 16 1 1 A 90 90 GLY H H 90 8.062 7.381 0.681 1
1 1092 . 16 1 1 A 90 90 GLY HA2 H 90 4.210 4.088 0.122 1
1 1093 . 16 1 1 A 90 90 GLY HA3 H 90 4.083 4.089 -0.006 1
1 1094 . 16 1 1 A 90 90 GLY C C 90 171.774 173.879 -2.105 1
1 1095 . 16 1 1 A 90 90 GLY CA C 90 44.872 44.135 0.737 1
1 1096 . 16 1 1 A 90 90 GLY N N 90 110.384 107.751 2.633 1
1 1097 . 16 1 1 A 91 91 PRO HA H 91 4.495 4.541 -0.046 1
1 1104 . 16 1 1 A 91 91 PRO C C 91 177.475 176.369 1.106 1
1 1105 . 16 1 1 A 91 91 PRO CA C 91 63.295 63.442 -0.147 1
1 1106 . 16 1 1 A 91 91 PRO CB C 91 32.234 31.966 0.268 1
1 1109 . 16 1 1 A 92 92 SER H H 92 8.557 7.684 0.873 1
1 1110 . 16 1 1 A 92 92 SER HA H 92 4.575 4.366 0.209 1
1 1113 . 16 1 1 A 92 92 SER C C 92 174.736 174.742 -0.006 1
1 1114 . 16 1 1 A 92 92 SER CA C 92 58.380 60.239 -1.859 1
1 1115 . 16 1 1 A 92 92 SER CB C 92 64.221 63.661 0.560 1
1 1 . 17 1 1 A 6 6 SER H H 6 8.063 8.836 -0.773 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.493 4.894 -0.401 1
1 5 . 17 1 1 A 6 6 SER CA C 6 59.071 57.222 1.849 1
1 6 . 17 1 1 A 6 6 SER CB C 6 63.626 63.693 -0.067 1
1 7 . 17 1 1 A 7 7 GLY H H 7 8.424 8.898 -0.474 1
1 8 . 17 1 1 A 7 7 GLY HA2 H 7 3.985 3.872 0.113 1
1 9 . 17 1 1 A 7 7 GLY HA3 H 7 3.834 3.873 -0.039 1
1 10 . 17 1 1 A 7 7 GLY CA C 7 47.092 46.548 0.544 1
1 11 . 17 1 1 A 7 7 GLY N N 7 109.548 111.746 -2.198 1
1 12 . 17 1 1 A 8 8 ILE H H 8 7.565 7.308 0.257 1
1 13 . 17 1 1 A 8 8 ILE HA H 8 3.883 4.070 -0.187 1
1 23 . 17 1 1 A 8 8 ILE CA C 8 63.805 61.414 2.391 1
1 24 . 17 1 1 A 8 8 ILE CB C 8 37.866 37.900 -0.034 1
1 28 . 17 1 1 A 8 8 ILE N N 8 123.348 120.827 2.521 1
1 29 . 17 1 1 A 9 9 VAL H H 9 7.538 8.777 -1.239 1
1 30 . 17 1 1 A 9 9 VAL HA H 9 3.471 4.538 -1.067 1
1 38 . 17 1 1 A 9 9 VAL CA C 9 66.382 60.517 5.865 1
1 39 . 17 1 1 A 9 9 VAL CB C 9 31.755 35.663 -3.908 1
1 42 . 17 1 1 A 9 9 VAL N N 9 121.471 127.417 -5.946 1
1 43 . 17 1 1 A 10 10 LEU H H 10 7.941 9.031 -1.090 1
1 44 . 17 1 1 A 10 10 LEU HA H 10 3.848 4.111 -0.263 1
1 54 . 17 1 1 A 10 10 LEU CA C 10 58.619 57.264 1.355 1
1 55 . 17 1 1 A 10 10 LEU CB C 10 41.377 41.888 -0.511 1
1 59 . 17 1 1 A 10 10 LEU N N 10 119.521 126.498 -6.977 1
1 60 . 17 1 1 A 11 11 LEU H H 11 8.207 7.654 0.553 1
1 61 . 17 1 1 A 11 11 LEU HA H 11 3.792 4.198 -0.406 1
1 71 . 17 1 1 A 11 11 LEU CA C 11 58.241 56.741 1.500 1
1 72 . 17 1 1 A 11 11 LEU CB C 11 41.790 42.279 -0.489 1
1 76 . 17 1 1 A 11 11 LEU N N 11 119.938 120.095 -0.157 1
1 77 . 17 1 1 A 12 12 ARG H H 12 7.904 8.311 -0.407 1
1 78 . 17 1 1 A 12 12 ARG HA H 12 3.966 4.074 -0.108 1
1 85 . 17 1 1 A 12 12 ARG CA C 12 59.301 58.419 0.882 1
1 86 . 17 1 1 A 12 12 ARG CB C 12 30.132 29.591 0.541 1
1 89 . 17 1 1 A 12 12 ARG N N 12 116.799 117.431 -0.632 1
1 90 . 17 1 1 A 13 13 GLY H H 13 8.190 8.524 -0.334 1
1 91 . 17 1 1 A 13 13 GLY HA2 H 13 3.740 3.721 0.019 1
1 92 . 17 1 1 A 13 13 GLY HA3 H 13 3.437 3.733 -0.296 1
1 93 . 17 1 1 A 13 13 GLY CA C 13 47.988 47.244 0.744 1
1 94 . 17 1 1 A 13 13 GLY N N 13 107.618 109.470 -1.852 1
1 95 . 17 1 1 A 14 14 LEU H H 14 8.515 8.350 0.165 1
1 96 . 17 1 1 A 14 14 LEU HA H 14 3.785 3.898 -0.113 1
1 106 . 17 1 1 A 14 14 LEU C C 14 178.232 178.748 -0.516 1
1 107 . 17 1 1 A 14 14 LEU CA C 14 57.401 57.862 -0.461 1
1 108 . 17 1 1 A 14 14 LEU CB C 14 41.981 41.573 0.408 1
1 112 . 17 1 1 A 14 14 LEU N N 14 120.161 122.673 -2.512 1
1 113 . 17 1 1 A 15 15 GLU H H 15 7.931 8.056 -0.125 1
1 114 . 17 1 1 A 15 15 GLU HA H 15 4.030 3.889 0.141 1
1 119 . 17 1 1 A 15 15 GLU CA C 15 57.961 59.677 -1.716 1
1 120 . 17 1 1 A 15 15 GLU CB C 15 30.140 29.013 1.127 1
1 122 . 17 1 1 A 15 15 GLU N N 15 114.703 116.982 -2.279 1
1 123 . 17 1 1 A 16 16 CYS H H 16 7.612 8.243 -0.631 1
1 124 . 17 1 1 A 16 16 CYS HA H 16 4.457 4.151 0.306 1
1 127 . 17 1 1 A 16 16 CYS CA C 16 60.982 62.383 -1.401 1
1 128 . 17 1 1 A 16 16 CYS CB C 16 27.917 26.930 0.987 1
1 129 . 17 1 1 A 16 16 CYS N N 16 114.695 118.700 -4.005 1
1 130 . 17 1 1 A 17 17 ILE H H 17 7.142 7.238 -0.096 1
1 131 . 17 1 1 A 17 17 ILE HA H 17 4.533 4.347 0.186 1
1 141 . 17 1 1 A 17 17 ILE CA C 17 61.521 60.966 0.555 1
1 142 . 17 1 1 A 17 17 ILE CB C 17 39.206 38.848 0.358 1
1 146 . 17 1 1 A 17 17 ILE N N 17 115.031 116.475 -1.444 1
1 147 . 17 1 1 A 18 18 ASN H H 18 8.325 8.860 -0.535 1
1 148 . 17 1 1 A 18 18 ASN HA H 18 4.575 4.789 -0.214 1
1 153 . 17 1 1 A 18 18 ASN C C 18 175.171 177.101 -1.930 1
1 154 . 17 1 1 A 18 18 ASN CA C 18 53.278 53.848 -0.570 1
1 155 . 17 1 1 A 18 18 ASN CB C 18 38.419 39.227 -0.808 1
1 156 . 17 1 1 A 18 18 ASN N N 18 119.943 122.959 -3.016 1
1 158 . 17 1 1 A 19 19 LYS H H 19 8.514 8.865 -0.351 1
1 159 . 17 1 1 A 19 19 LYS HA H 19 4.242 4.180 0.062 1
1 168 . 17 1 1 A 19 19 LYS C C 19 178.868 179.000 -0.132 1
1 169 . 17 1 1 A 19 19 LYS CA C 19 60.006 59.905 0.101 1
1 170 . 17 1 1 A 19 19 LYS CB C 19 32.291 32.356 -0.065 1
1 174 . 17 1 1 A 19 19 LYS N N 19 118.191 122.805 -4.614 1
1 175 . 17 1 1 A 20 20 HIS H H 20 8.328 8.072 0.256 1
1 176 . 17 1 1 A 20 20 HIS HA H 20 4.371 4.308 0.063 1
1 181 . 17 1 1 A 20 20 HIS C C 20 178.335 176.768 1.567 1
1 182 . 17 1 1 A 20 20 HIS CA C 20 59.785 59.224 0.561 1
1 183 . 17 1 1 A 20 20 HIS CB C 20 29.879 29.821 0.058 1
1 186 . 17 1 1 A 20 20 HIS N N 20 120.900 119.530 1.370 1
1 187 . 17 1 1 A 21 21 TYR H H 21 8.464 8.072 0.392 1
1 188 . 17 1 1 A 21 21 TYR HA H 21 4.540 4.008 0.532 1
1 195 . 17 1 1 A 21 21 TYR C C 21 178.222 178.418 -0.196 1
1 196 . 17 1 1 A 21 21 TYR CA C 21 61.863 61.650 0.213 1
1 197 . 17 1 1 A 21 21 TYR CB C 21 38.012 38.240 -0.228 1
1 202 . 17 1 1 A 21 21 TYR N N 21 118.132 117.563 0.569 1
1 203 . 17 1 1 A 22 22 PHE H H 22 9.095 8.405 0.690 1
1 204 . 17 1 1 A 22 22 PHE HA H 22 4.616 4.064 0.552 1
1 212 . 17 1 1 A 22 22 PHE C C 22 177.409 177.043 0.366 1
1 213 . 17 1 1 A 22 22 PHE CA C 22 59.761 61.791 -2.030 1
1 214 . 17 1 1 A 22 22 PHE CB C 22 38.982 39.233 -0.251 1
1 220 . 17 1 1 A 22 22 PHE N N 22 121.771 120.959 0.812 1
1 221 . 17 1 1 A 23 23 SER H H 23 8.400 8.294 0.106 1
1 222 . 17 1 1 A 23 23 SER HA H 23 3.785 3.738 0.047 1
1 225 . 17 1 1 A 23 23 SER C C 23 177.318 177.391 -0.073 1
1 226 . 17 1 1 A 23 23 SER CA C 23 62.453 61.699 0.754 1
1 227 . 17 1 1 A 23 23 SER CB C 23 62.279 62.939 -0.660 1
1 228 . 17 1 1 A 23 23 SER N N 23 115.511 113.804 1.707 1
1 229 . 17 1 1 A 24 24 LEU H H 24 7.737 8.317 -0.580 1
1 230 . 17 1 1 A 24 24 LEU HA H 24 4.118 3.940 0.178 1
1 240 . 17 1 1 A 24 24 LEU C C 24 178.956 178.696 0.260 1
1 241 . 17 1 1 A 24 24 LEU CA C 24 57.992 57.940 0.052 1
1 242 . 17 1 1 A 24 24 LEU CB C 24 42.066 42.212 -0.146 1
1 246 . 17 1 1 A 24 24 LEU N N 24 123.378 121.977 1.401 1
1 247 . 17 1 1 A 25 25 PHE H H 25 8.643 7.771 0.872 1
1 248 . 17 1 1 A 25 25 PHE HA H 25 3.475 3.429 0.046 1
1 256 . 17 1 1 A 25 25 PHE C C 25 176.905 176.689 0.216 1
1 257 . 17 1 1 A 25 25 PHE CA C 25 61.196 61.481 -0.285 1
1 258 . 17 1 1 A 25 25 PHE CB C 25 38.741 38.810 -0.069 1
1 264 . 17 1 1 A 25 25 PHE N N 25 122.640 118.416 4.224 1
1 265 . 17 1 1 A 26 26 LYS H H 26 8.022 7.663 0.359 1
1 266 . 17 1 1 A 26 26 LYS HA H 26 3.197 3.671 -0.474 1
1 275 . 17 1 1 A 26 26 LYS C C 26 177.424 179.247 -1.823 1
1 276 . 17 1 1 A 26 26 LYS CA C 26 61.439 59.406 2.033 1
1 277 . 17 1 1 A 26 26 LYS CB C 26 32.363 31.804 0.559 1
1 281 . 17 1 1 A 26 26 LYS N N 26 116.023 117.961 -1.938 1
1 282 . 17 1 1 A 27 27 SER H H 27 7.473 7.666 -0.193 1
1 283 . 17 1 1 A 27 27 SER HA H 27 4.134 4.190 -0.056 1
1 286 . 17 1 1 A 27 27 SER C C 27 177.449 176.894 0.555 1
1 287 . 17 1 1 A 27 27 SER CA C 27 61.544 60.822 0.722 1
1 288 . 17 1 1 A 27 27 SER CB C 27 62.828 62.940 -0.112 1
1 289 . 17 1 1 A 27 27 SER N N 27 111.668 114.925 -3.257 1
1 290 . 17 1 1 A 28 28 LEU H H 28 7.625 7.809 -0.184 1
1 291 . 17 1 1 A 28 28 LEU HA H 28 4.117 4.062 0.055 1
1 301 . 17 1 1 A 28 28 LEU C C 28 179.076 179.381 -0.305 1
1 302 . 17 1 1 A 28 28 LEU CA C 28 57.336 57.507 -0.171 1
1 303 . 17 1 1 A 28 28 LEU CB C 28 41.585 41.707 -0.122 1
1 307 . 17 1 1 A 28 28 LEU N N 28 123.121 123.121 0.000 1
1 308 . 17 1 1 A 29 29 LEU H H 29 7.391 7.877 -0.486 1
1 309 . 17 1 1 A 29 29 LEU HA H 29 4.276 4.013 0.263 1
1 319 . 17 1 1 A 29 29 LEU C C 29 177.606 178.260 -0.654 1
1 320 . 17 1 1 A 29 29 LEU CA C 29 54.243 57.260 -3.017 1
1 321 . 17 1 1 A 29 29 LEU CB C 29 41.665 41.174 0.491 1
1 325 . 17 1 1 A 29 29 LEU N N 29 119.910 118.476 1.434 1
1 326 . 17 1 1 A 30 30 ALA H H 30 7.242 8.672 -1.430 1
1 327 . 17 1 1 A 30 30 ALA HA H 30 3.505 3.952 -0.447 1
1 331 . 17 1 1 A 30 30 ALA C C 30 179.568 179.634 -0.066 1
1 332 . 17 1 1 A 30 30 ALA CA C 30 56.470 55.395 1.075 1
1 333 . 17 1 1 A 30 30 ALA CB C 30 18.818 18.661 0.157 1
1 334 . 17 1 1 A 30 30 ALA N N 30 122.470 121.337 1.133 1
1 335 . 17 1 1 A 31 31 ARG H H 31 8.256 7.944 0.312 1
1 336 . 17 1 1 A 31 31 ARG HA H 31 4.142 4.057 0.085 1
1 343 . 17 1 1 A 31 31 ARG C C 31 179.303 178.170 1.133 1
1 344 . 17 1 1 A 31 31 ARG CA C 31 58.917 58.952 -0.035 1
1 345 . 17 1 1 A 31 31 ARG CB C 31 29.407 30.094 -0.687 1
1 348 . 17 1 1 A 31 31 ARG N N 31 116.240 116.939 -0.699 1
1 349 . 17 1 1 A 32 32 ASP H H 32 8.205 8.181 0.024 1
1 350 . 17 1 1 A 32 32 ASP HA H 32 4.334 4.335 -0.001 1
1 353 . 17 1 1 A 32 32 ASP C C 32 177.470 178.477 -1.007 1
1 354 . 17 1 1 A 32 32 ASP CA C 32 57.336 57.080 0.256 1
1 355 . 17 1 1 A 32 32 ASP CB C 32 41.582 40.844 0.738 1
1 356 . 17 1 1 A 32 32 ASP N N 32 120.398 120.416 -0.018 1
1 357 . 17 1 1 A 33 33 LEU H H 33 7.933 7.995 -0.062 1
1 358 . 17 1 1 A 33 33 LEU HA H 33 4.206 4.120 0.086 1
1 368 . 17 1 1 A 33 33 LEU C C 33 175.261 176.272 -1.011 1
1 369 . 17 1 1 A 33 33 LEU CA C 33 53.700 55.744 -2.044 1
1 370 . 17 1 1 A 33 33 LEU CB C 33 41.306 41.986 -0.680 1
1 374 . 17 1 1 A 33 33 LEU N N 33 113.338 118.223 -4.885 1
1 375 . 17 1 1 A 34 34 ASN H H 34 7.688 7.861 -0.173 1
1 376 . 17 1 1 A 34 34 ASN HA H 34 4.307 4.659 -0.352 1
1 381 . 17 1 1 A 34 34 ASN C C 34 175.092 174.633 0.459 1
1 382 . 17 1 1 A 34 34 ASN CA C 34 53.960 54.264 -0.304 1
1 383 . 17 1 1 A 34 34 ASN CB C 34 37.073 36.852 0.221 1
1 384 . 17 1 1 A 34 34 ASN N N 34 116.912 115.533 1.379 1
1 386 . 17 1 1 A 35 35 LEU H H 35 8.177 7.855 0.322 1
1 387 . 17 1 1 A 35 35 LEU HA H 35 4.008 4.456 -0.448 1
1 397 . 17 1 1 A 35 35 LEU C C 35 177.637 175.750 1.887 1
1 398 . 17 1 1 A 35 35 LEU CA C 35 54.233 54.972 -0.739 1
1 399 . 17 1 1 A 35 35 LEU CB C 35 41.024 42.576 -1.552 1
1 403 . 17 1 1 A 35 35 LEU N N 35 115.363 119.320 -3.957 1
1 404 . 17 1 1 A 36 36 GLU H H 36 8.419 9.081 -0.662 1
1 405 . 17 1 1 A 36 36 GLU HA H 36 4.175 4.709 -0.534 1
1 410 . 17 1 1 A 36 36 GLU C C 36 177.626 177.102 0.524 1
1 411 . 17 1 1 A 36 36 GLU CA C 36 56.872 55.283 1.589 1
1 412 . 17 1 1 A 36 36 GLU CB C 36 29.675 30.293 -0.618 1
1 414 . 17 1 1 A 36 36 GLU N N 36 122.591 120.030 2.561 1
1 415 . 17 1 1 A 37 37 ARG H H 37 8.577 8.741 -0.164 1
1 416 . 17 1 1 A 37 37 ARG HA H 37 3.889 4.087 -0.198 1
1 423 . 17 1 1 A 37 37 ARG C C 37 178.119 176.459 1.660 1
1 424 . 17 1 1 A 37 37 ARG CA C 37 58.924 58.667 0.257 1
1 425 . 17 1 1 A 37 37 ARG CB C 37 30.074 29.853 0.221 1
1 428 . 17 1 1 A 37 37 ARG N N 37 124.790 125.809 -1.019 1
1 429 . 17 1 1 A 38 38 ASP H H 38 8.623 8.023 0.600 1
1 430 . 17 1 1 A 38 38 ASP HA H 38 4.591 4.633 -0.042 1
1 433 . 17 1 1 A 38 38 ASP C C 38 176.021 176.091 -0.070 1
1 434 . 17 1 1 A 38 38 ASP CA C 38 55.073 54.782 0.291 1
1 435 . 17 1 1 A 38 38 ASP CB C 38 40.722 41.719 -0.997 1
1 436 . 17 1 1 A 38 38 ASP N N 38 116.313 118.185 -1.872 1
1 437 . 17 1 1 A 39 39 ASN H H 39 7.668 8.279 -0.611 1
1 438 . 17 1 1 A 39 39 ASN HA H 39 4.936 4.996 -0.060 1
1 443 . 17 1 1 A 39 39 ASN C C 39 175.702 175.804 -0.102 1
1 444 . 17 1 1 A 39 39 ASN CA C 39 52.626 51.627 0.999 1
1 445 . 17 1 1 A 39 39 ASN CB C 39 38.966 39.352 -0.386 1
1 446 . 17 1 1 A 39 39 ASN N N 39 116.330 118.762 -2.432 1
1 448 . 17 1 1 A 40 40 GLN H H 40 8.324 7.708 0.616 1
1 449 . 17 1 1 A 40 40 GLN HA H 40 4.285 4.243 0.042 1
1 456 . 17 1 1 A 40 40 GLN C C 40 178.897 178.469 0.428 1
1 457 . 17 1 1 A 40 40 GLN CA C 40 58.513 57.070 1.443 1
1 458 . 17 1 1 A 40 40 GLN CB C 40 29.225 28.921 0.304 1
1 460 . 17 1 1 A 40 40 GLN N N 40 119.556 120.755 -1.199 1
1 462 . 17 1 1 A 41 41 GLU H H 41 8.956 8.544 0.412 1
1 463 . 17 1 1 A 41 41 GLU HA H 41 3.950 4.040 -0.090 1
1 468 . 17 1 1 A 41 41 GLU C C 41 176.712 178.607 -1.895 1
1 469 . 17 1 1 A 41 41 GLU CA C 41 58.716 58.880 -0.164 1
1 470 . 17 1 1 A 41 41 GLU CB C 41 29.124 28.292 0.832 1
1 472 . 17 1 1 A 41 41 GLU N N 41 121.919 118.500 3.419 1
1 473 . 17 1 1 A 42 42 GLN H H 42 7.634 8.081 -0.447 1
1 474 . 17 1 1 A 42 42 GLN HA H 42 4.052 4.080 -0.028 1
1 481 . 17 1 1 A 42 42 GLN C C 42 176.286 175.948 0.338 1
1 482 . 17 1 1 A 42 42 GLN CA C 42 56.859 58.483 -1.624 1
1 483 . 17 1 1 A 42 42 GLN CB C 42 28.418 27.985 0.433 1
1 485 . 17 1 1 A 42 42 GLN N N 42 114.515 117.492 -2.977 1
1 487 . 17 1 1 A 43 43 TYR H H 43 6.692 7.528 -0.836 1
1 488 . 17 1 1 A 43 43 TYR HA H 43 4.866 4.634 0.232 1
1 495 . 17 1 1 A 43 43 TYR C C 43 177.063 175.478 1.585 1
1 496 . 17 1 1 A 43 43 TYR CA C 43 58.627 59.717 -1.090 1
1 497 . 17 1 1 A 43 43 TYR CB C 43 39.628 38.880 0.748 1
1 502 . 17 1 1 A 43 43 TYR N N 43 116.167 120.564 -4.397 1
1 503 . 17 1 1 A 44 44 THR H H 44 8.785 8.677 0.108 1
1 504 . 17 1 1 A 44 44 THR HA H 44 4.800 4.996 -0.196 1
1 509 . 17 1 1 A 44 44 THR C C 44 176.061 176.534 -0.473 1
1 510 . 17 1 1 A 44 44 THR CA C 44 60.519 60.450 0.069 1
1 511 . 17 1 1 A 44 44 THR CB C 44 71.926 71.793 0.133 1
1 513 . 17 1 1 A 44 44 THR N N 44 116.779 116.783 -0.004 1
1 514 . 17 1 1 A 45 45 THR H H 45 8.849 8.966 -0.117 1
1 515 . 17 1 1 A 45 45 THR HA H 45 3.626 3.846 -0.220 1
1 520 . 17 1 1 A 45 45 THR C C 45 176.458 176.664 -0.206 1
1 521 . 17 1 1 A 45 45 THR CA C 45 65.716 65.793 -0.077 1
1 522 . 17 1 1 A 45 45 THR CB C 45 67.141 67.879 -0.738 1
1 524 . 17 1 1 A 45 45 THR N N 45 112.579 114.188 -1.609 1
1 525 . 17 1 1 A 46 46 ILE H H 46 7.144 7.816 -0.672 1
1 526 . 17 1 1 A 46 46 ILE HA H 46 3.803 3.671 0.132 1
1 536 . 17 1 1 A 46 46 ILE C C 46 177.573 177.953 -0.380 1
1 537 . 17 1 1 A 46 46 ILE CA C 46 64.078 65.367 -1.289 1
1 538 . 17 1 1 A 46 46 ILE CB C 46 38.733 37.592 1.141 1
1 542 . 17 1 1 A 46 46 ILE N N 46 119.409 123.246 -3.837 1
1 543 . 17 1 1 A 47 47 GLN H H 47 7.552 8.010 -0.458 1
1 544 . 17 1 1 A 47 47 GLN HA H 47 4.124 4.111 0.013 1
1 551 . 17 1 1 A 47 47 GLN C C 47 179.640 178.943 0.697 1
1 552 . 17 1 1 A 47 47 GLN CA C 47 59.282 59.046 0.236 1
1 553 . 17 1 1 A 47 47 GLN CB C 47 29.242 28.456 0.786 1
1 555 . 17 1 1 A 47 47 GLN N N 47 119.564 118.676 0.888 1
1 557 . 17 1 1 A 48 48 ILE H H 48 8.520 8.086 0.434 1
1 558 . 17 1 1 A 48 48 ILE HA H 48 3.861 3.764 0.097 1
1 568 . 17 1 1 A 48 48 ILE C C 48 177.779 178.092 -0.313 1
1 569 . 17 1 1 A 48 48 ILE CA C 48 61.208 64.306 -3.098 1
1 570 . 17 1 1 A 48 48 ILE CB C 48 34.654 36.797 -2.143 1
1 574 . 17 1 1 A 48 48 ILE N N 48 118.052 121.309 -3.257 1
1 575 . 17 1 1 A 49 49 ALA H H 49 8.826 8.251 0.575 1
1 576 . 17 1 1 A 49 49 ALA HA H 49 4.071 4.098 -0.027 1
1 580 . 17 1 1 A 49 49 ALA C C 49 179.849 179.830 0.019 1
1 581 . 17 1 1 A 49 49 ALA CA C 49 55.909 55.659 0.250 1
1 582 . 17 1 1 A 49 49 ALA CB C 49 18.289 18.503 -0.214 1
1 583 . 17 1 1 A 49 49 ALA N N 49 123.182 123.192 -0.010 1
1 584 . 17 1 1 A 50 50 ASN H H 50 8.319 8.512 -0.193 1
1 585 . 17 1 1 A 50 50 ASN HA H 50 4.517 4.404 0.113 1
1 590 . 17 1 1 A 50 50 ASN CA C 50 56.309 56.773 -0.464 1
1 591 . 17 1 1 A 50 50 ASN CB C 50 38.198 37.845 0.353 1
1 592 . 17 1 1 A 50 50 ASN N N 50 116.379 117.505 -1.126 1
1 594 . 17 1 1 A 51 51 MET H H 51 8.233 7.933 0.300 1
1 595 . 17 1 1 A 51 51 MET HA H 51 4.132 4.147 -0.015 1
1 603 . 17 1 1 A 51 51 MET CA C 51 59.312 58.328 0.984 1
1 604 . 17 1 1 A 51 51 MET CB C 51 34.763 32.436 2.327 1
1 607 . 17 1 1 A 51 51 MET N N 51 119.934 118.567 1.367 1
1 608 . 17 1 1 A 52 52 MET H H 52 8.926 8.240 0.686 1
1 609 . 17 1 1 A 52 52 MET HA H 52 3.874 4.107 -0.233 1
1 617 . 17 1 1 A 52 52 MET C C 52 177.228 178.722 -1.494 1
1 618 . 17 1 1 A 52 52 MET CA C 52 60.218 58.367 1.851 1
1 619 . 17 1 1 A 52 52 MET CB C 52 33.427 32.774 0.653 1
1 622 . 17 1 1 A 52 52 MET N N 52 120.686 118.106 2.580 1
1 623 . 17 1 1 A 53 53 GLU H H 53 8.111 8.622 -0.511 1
1 624 . 17 1 1 A 53 53 GLU HA H 53 3.863 4.080 -0.217 1
1 629 . 17 1 1 A 53 53 GLU C C 53 177.640 178.445 -0.805 1
1 630 . 17 1 1 A 53 53 GLU CA C 53 59.847 59.602 0.245 1
1 631 . 17 1 1 A 53 53 GLU CB C 53 29.778 29.349 0.429 1
1 633 . 17 1 1 A 53 53 GLU N N 53 119.207 118.934 0.273 1
1 634 . 17 1 1 A 54 54 GLU H H 54 7.030 7.587 -0.557 1
1 635 . 17 1 1 A 54 54 GLU HA H 54 4.014 4.177 -0.163 1
1 640 . 17 1 1 A 54 54 GLU C C 54 178.008 178.847 -0.839 1
1 641 . 17 1 1 A 54 54 GLU CA C 54 58.211 58.533 -0.322 1
1 642 . 17 1 1 A 54 54 GLU CB C 54 30.149 30.261 -0.112 1
1 644 . 17 1 1 A 54 54 GLU N N 54 115.049 119.574 -4.525 1
1 645 . 17 1 1 A 55 55 LYS H H 55 7.670 8.097 -0.427 1
1 646 . 17 1 1 A 55 55 LYS HA H 55 3.930 3.801 0.129 1
1 655 . 17 1 1 A 55 55 LYS C C 55 175.986 176.666 -0.680 1
1 656 . 17 1 1 A 55 55 LYS CA C 55 56.405 59.243 -2.838 1
1 657 . 17 1 1 A 55 55 LYS CB C 55 32.705 31.601 1.104 1
1 661 . 17 1 1 A 55 55 LYS N N 55 117.040 119.573 -2.533 1
1 662 . 17 1 1 A 56 56 PHE H H 56 8.079 7.763 0.316 1
1 663 . 17 1 1 A 56 56 PHE HA H 56 5.215 5.019 0.196 1
1 671 . 17 1 1 A 56 56 PHE CA C 56 53.965 55.013 -1.048 1
1 672 . 17 1 1 A 56 56 PHE CB C 56 38.759 38.963 -0.204 1
1 678 . 17 1 1 A 56 56 PHE N N 56 117.341 116.373 0.968 1
1 679 . 17 1 1 A 57 57 PRO HA H 57 4.514 4.545 -0.031 1
1 686 . 17 1 1 A 57 57 PRO CA C 57 64.818 64.171 0.647 1
1 687 . 17 1 1 A 57 57 PRO CB C 57 32.192 31.824 0.368 1
1 690 . 17 1 1 A 58 58 ALA H H 58 8.619 8.322 0.297 1
1 691 . 17 1 1 A 58 58 ALA HA H 58 4.206 4.165 0.041 1
1 695 . 17 1 1 A 58 58 ALA CA C 58 55.406 55.154 0.252 1
1 696 . 17 1 1 A 58 58 ALA CB C 58 18.353 19.535 -1.182 1
1 697 . 17 1 1 A 58 58 ALA N N 58 120.173 121.446 -1.273 1
1 698 . 17 1 1 A 59 59 ASP H H 59 7.515 8.043 -0.528 1
1 699 . 17 1 1 A 59 59 ASP HA H 59 4.810 4.618 0.192 1
1 702 . 17 1 1 A 59 59 ASP CA C 59 52.659 52.980 -0.321 1
1 703 . 17 1 1 A 59 59 ASP CB C 59 41.778 40.798 0.980 1
1 704 . 17 1 1 A 59 59 ASP N N 59 113.536 114.542 -1.006 1
1 705 . 17 1 1 A 60 60 SER H H 60 8.392 8.586 -0.194 1
1 706 . 17 1 1 A 60 60 SER HA H 60 4.176 4.599 -0.423 1
1 709 . 17 1 1 A 60 60 SER CA C 60 60.221 59.603 0.618 1
1 710 . 17 1 1 A 60 60 SER CB C 60 62.050 61.651 0.399 1
1 711 . 17 1 1 A 60 60 SER N N 60 113.717 111.706 2.011 1
1 712 . 17 1 1 A 61 61 GLY H H 61 8.299 8.227 0.072 1
1 713 . 17 1 1 A 61 61 GLY HA2 H 61 4.005 3.798 0.207 1
1 714 . 17 1 1 A 61 61 GLY HA3 H 61 3.502 4.010 -0.508 1
1 715 . 17 1 1 A 61 61 GLY CA C 61 45.554 45.522 0.032 1
1 716 . 17 1 1 A 61 61 GLY N N 61 104.225 106.399 -2.174 1
1 717 . 17 1 1 A 62 62 LEU H H 62 7.927 7.893 0.034 1
1 718 . 17 1 1 A 62 62 LEU HA H 62 3.915 3.978 -0.063 1
1 728 . 17 1 1 A 62 62 LEU CA C 62 58.075 57.874 0.201 1
1 729 . 17 1 1 A 62 62 LEU CB C 62 41.731 41.969 -0.238 1
1 733 . 17 1 1 A 62 62 LEU N N 62 122.094 122.774 -0.680 1
1 734 . 17 1 1 A 63 63 GLY H H 63 8.566 8.278 0.288 1
1 735 . 17 1 1 A 63 63 GLY HA2 H 63 3.847 3.749 0.098 1
1 736 . 17 1 1 A 63 63 GLY HA3 H 63 3.592 3.765 -0.173 1
1 737 . 17 1 1 A 63 63 GLY CA C 63 47.146 47.163 -0.017 1
1 738 . 17 1 1 A 63 63 GLY N N 63 105.732 106.159 -0.427 1
1 739 . 17 1 1 A 64 64 LYS H H 64 7.509 8.171 -0.662 1
1 740 . 17 1 1 A 64 64 LYS HA H 64 4.115 3.974 0.141 1
1 749 . 17 1 1 A 64 64 LYS C C 64 179.856 178.906 0.950 1
1 750 . 17 1 1 A 64 64 LYS CA C 64 57.768 59.255 -1.487 1
1 751 . 17 1 1 A 64 64 LYS CB C 64 31.542 31.912 -0.370 1
1 755 . 17 1 1 A 64 64 LYS N N 64 120.697 121.775 -1.078 1
1 756 . 17 1 1 A 65 65 LEU H H 65 7.544 7.907 -0.363 1
1 757 . 17 1 1 A 65 65 LEU HA H 65 4.219 3.694 0.525 1
1 767 . 17 1 1 A 65 65 LEU C C 65 178.606 178.286 0.320 1
1 768 . 17 1 1 A 65 65 LEU CA C 65 57.675 57.816 -0.141 1
1 769 . 17 1 1 A 65 65 LEU CB C 65 41.040 41.304 -0.264 1
1 773 . 17 1 1 A 65 65 LEU N N 65 120.399 120.550 -0.151 1
1 774 . 17 1 1 A 66 66 ILE H H 66 8.605 8.347 0.258 1
1 775 . 17 1 1 A 66 66 ILE HA H 66 3.271 3.455 -0.184 1
1 785 . 17 1 1 A 66 66 ILE C C 66 176.721 177.638 -0.917 1
1 786 . 17 1 1 A 66 66 ILE CA C 66 67.612 65.796 1.816 1
1 787 . 17 1 1 A 66 66 ILE CB C 66 38.006 37.789 0.217 1
1 791 . 17 1 1 A 66 66 ILE N N 66 121.170 120.078 1.092 1
1 792 . 17 1 1 A 67 67 GLU H H 67 8.157 8.045 0.112 1
1 793 . 17 1 1 A 67 67 GLU HA H 67 4.007 3.951 0.056 1
1 798 . 17 1 1 A 67 67 GLU C C 67 178.848 179.218 -0.370 1
1 799 . 17 1 1 A 67 67 GLU CA C 67 59.476 59.800 -0.324 1
1 800 . 17 1 1 A 67 67 GLU CB C 67 30.055 29.567 0.488 1
1 802 . 17 1 1 A 67 67 GLU N N 67 118.066 119.317 -1.251 1
1 803 . 17 1 1 A 68 68 PHE H H 68 7.673 7.971 -0.298 1
1 804 . 17 1 1 A 68 68 PHE HA H 68 4.393 4.150 0.243 1
1 812 . 17 1 1 A 68 68 PHE C C 68 176.609 177.521 -0.912 1
1 813 . 17 1 1 A 68 68 PHE CA C 68 60.660 61.479 -0.819 1
1 814 . 17 1 1 A 68 68 PHE CB C 68 39.666 39.425 0.241 1
1 820 . 17 1 1 A 68 68 PHE N N 68 119.383 120.879 -1.496 1
1 821 . 17 1 1 A 69 69 CYS H H 69 8.137 8.245 -0.108 1
1 822 . 17 1 1 A 69 69 CYS HA H 69 3.714 4.096 -0.382 1
1 825 . 17 1 1 A 69 69 CYS C C 69 175.221 177.139 -1.918 1
1 826 . 17 1 1 A 69 69 CYS CA C 69 62.782 62.139 0.643 1
1 827 . 17 1 1 A 69 69 CYS CB C 69 26.732 26.340 0.392 1
1 828 . 17 1 1 A 69 69 CYS N N 69 115.218 116.448 -1.230 1
1 829 . 17 1 1 A 70 70 GLU H H 70 8.108 7.724 0.384 1
1 830 . 17 1 1 A 70 70 GLU HA H 70 3.739 4.005 -0.266 1
1 835 . 17 1 1 A 70 70 GLU C C 70 178.404 178.613 -0.209 1
1 836 . 17 1 1 A 70 70 GLU CA C 70 58.839 59.377 -0.538 1
1 837 . 17 1 1 A 70 70 GLU CB C 70 30.149 29.423 0.726 1
1 839 . 17 1 1 A 70 70 GLU N N 70 113.937 120.701 -6.764 1
1 840 . 17 1 1 A 71 71 GLU H H 71 7.306 8.297 -0.991 1
1 841 . 17 1 1 A 71 71 GLU HA H 71 4.148 4.108 0.040 1
1 846 . 17 1 1 A 71 71 GLU C C 71 176.363 176.731 -0.368 1
1 847 . 17 1 1 A 71 71 GLU CA C 71 56.943 59.046 -2.103 1
1 848 . 17 1 1 A 71 71 GLU CB C 71 30.374 28.972 1.402 1
1 850 . 17 1 1 A 71 71 GLU N N 71 117.591 118.264 -0.673 1
1 851 . 17 1 1 A 72 72 VAL H H 72 7.055 7.724 -0.669 1
1 852 . 17 1 1 A 72 72 VAL HA H 72 4.220 4.157 0.063 1
1 860 . 17 1 1 A 72 72 VAL C C 72 174.906 175.753 -0.847 1
1 861 . 17 1 1 A 72 72 VAL CA C 72 59.360 59.028 0.332 1
1 862 . 17 1 1 A 72 72 VAL CB C 72 33.462 31.918 1.544 1
1 865 . 17 1 1 A 72 72 VAL N N 72 122.531 121.644 0.887 1
1 866 . 17 1 1 A 73 73 PRO HA H 73 3.887 4.465 -0.578 1
1 873 . 17 1 1 A 73 73 PRO C C 73 179.162 177.405 1.757 1
1 874 . 17 1 1 A 73 73 PRO CA C 73 66.658 64.244 2.414 1
1 875 . 17 1 1 A 73 73 PRO CB C 73 31.819 31.820 -0.001 1
1 878 . 17 1 1 A 74 74 ALA H H 74 8.188 8.181 0.007 1
1 879 . 17 1 1 A 74 74 ALA HA H 74 4.217 4.231 -0.014 1
1 883 . 17 1 1 A 74 74 ALA C C 74 178.535 178.047 0.488 1
1 884 . 17 1 1 A 74 74 ALA CA C 74 54.149 53.566 0.583 1
1 885 . 17 1 1 A 74 74 ALA CB C 74 19.305 19.034 0.271 1
1 886 . 17 1 1 A 74 74 ALA N N 74 116.317 119.896 -3.579 1
1 887 . 17 1 1 A 75 75 LEU H H 75 8.188 7.223 0.965 1
1 888 . 17 1 1 A 75 75 LEU HA H 75 4.607 4.244 0.363 1
1 898 . 17 1 1 A 75 75 LEU C C 75 177.094 177.650 -0.556 1
1 899 . 17 1 1 A 75 75 LEU CA C 75 53.645 54.556 -0.911 1
1 900 . 17 1 1 A 75 75 LEU CB C 75 42.633 42.287 0.346 1
1 904 . 17 1 1 A 75 75 LEU N N 75 116.296 114.725 1.571 1
1 905 . 17 1 1 A 76 76 ARG H H 76 7.332 8.005 -0.673 1
1 906 . 17 1 1 A 76 76 ARG HA H 76 3.789 3.893 -0.104 1
1 913 . 17 1 1 A 76 76 ARG C C 76 179.457 178.662 0.795 1
1 914 . 17 1 1 A 76 76 ARG CA C 76 60.815 60.005 0.810 1
1 915 . 17 1 1 A 76 76 ARG CB C 76 29.535 29.994 -0.459 1
1 918 . 17 1 1 A 76 76 ARG N N 76 122.654 119.831 2.823 1
1 919 . 17 1 1 A 77 77 LYS H H 77 8.489 7.916 0.573 1
1 920 . 17 1 1 A 77 77 LYS HA H 77 4.118 3.884 0.234 1
1 929 . 17 1 1 A 77 77 LYS C C 77 179.135 178.390 0.745 1
1 930 . 17 1 1 A 77 77 LYS CA C 77 58.963 59.170 -0.207 1
1 931 . 17 1 1 A 77 77 LYS CB C 77 31.113 32.044 -0.931 1
1 935 . 17 1 1 A 77 77 LYS N N 77 119.343 119.582 -0.239 1
1 936 . 17 1 1 A 78 78 ARG H H 78 7.626 8.026 -0.400 1
1 937 . 17 1 1 A 78 78 ARG HA H 78 3.931 4.051 -0.120 1
1 944 . 17 1 1 A 78 78 ARG C C 78 178.200 177.937 0.263 1
1 945 . 17 1 1 A 78 78 ARG CA C 78 56.415 58.623 -2.208 1
1 946 . 17 1 1 A 78 78 ARG CB C 78 27.010 29.862 -2.852 1
1 949 . 17 1 1 A 78 78 ARG N N 78 120.202 119.184 1.018 1
1 950 . 17 1 1 A 79 79 ALA H H 79 8.138 8.082 0.056 1
1 951 . 17 1 1 A 79 79 ALA HA H 79 3.837 4.036 -0.199 1
1 955 . 17 1 1 A 79 79 ALA C C 79 178.684 179.533 -0.849 1
1 956 . 17 1 1 A 79 79 ALA CA C 79 55.692 55.023 0.669 1
1 957 . 17 1 1 A 79 79 ALA CB C 79 18.376 18.156 0.220 1
1 958 . 17 1 1 A 79 79 ALA N N 79 120.388 122.133 -1.745 1
1 959 . 17 1 1 A 80 80 GLU H H 80 7.437 8.305 -0.868 1
1 960 . 17 1 1 A 80 80 GLU HA H 80 3.877 4.057 -0.180 1
1 965 . 17 1 1 A 80 80 GLU C C 80 179.640 178.018 1.622 1
1 966 . 17 1 1 A 80 80 GLU CA C 80 59.370 58.925 0.445 1
1 967 . 17 1 1 A 80 80 GLU CB C 80 29.445 28.863 0.582 1
1 969 . 17 1 1 A 80 80 GLU N N 80 115.384 116.184 -0.800 1
1 970 . 17 1 1 A 81 81 ILE H H 81 7.721 7.708 0.013 1
1 971 . 17 1 1 A 81 81 ILE HA H 81 3.675 3.834 -0.159 1
1 981 . 17 1 1 A 81 81 ILE C C 81 178.179 178.321 -0.142 1
1 982 . 17 1 1 A 81 81 ILE CA C 81 65.187 64.442 0.745 1
1 983 . 17 1 1 A 81 81 ILE CB C 81 38.471 36.725 1.746 1
1 987 . 17 1 1 A 81 81 ILE N N 81 121.563 121.441 0.122 1
1 988 . 17 1 1 A 82 82 LEU H H 82 8.374 8.178 0.196 1
1 989 . 17 1 1 A 82 82 LEU HA H 82 3.930 3.960 -0.030 1
1 999 . 17 1 1 A 82 82 LEU C C 82 179.279 179.035 0.244 1
1 1000 . 17 1 1 A 82 82 LEU CA C 82 58.038 57.909 0.129 1
1 1001 . 17 1 1 A 82 82 LEU CB C 82 42.869 40.987 1.882 1
1 1005 . 17 1 1 A 82 82 LEU N N 82 119.839 120.643 -0.804 1
1 1006 . 17 1 1 A 83 83 LYS H H 83 8.153 7.996 0.157 1
1 1007 . 17 1 1 A 83 83 LYS HA H 83 3.740 3.955 -0.215 1
1 1016 . 17 1 1 A 83 83 LYS C C 83 179.548 178.675 0.873 1
1 1017 . 17 1 1 A 83 83 LYS CA C 83 60.433 60.011 0.422 1
1 1018 . 17 1 1 A 83 83 LYS CB C 83 32.703 32.347 0.356 1
1 1022 . 17 1 1 A 83 83 LYS N N 83 117.092 118.497 -1.405 1
1 1023 . 17 1 1 A 84 84 LYS H H 84 7.705 7.598 0.107 1
1 1024 . 17 1 1 A 84 84 LYS HA H 84 4.101 3.926 0.175 1
1 1033 . 17 1 1 A 84 84 LYS C C 84 179.082 178.922 0.160 1
1 1034 . 17 1 1 A 84 84 LYS CA C 84 59.120 60.041 -0.921 1
1 1035 . 17 1 1 A 84 84 LYS CB C 84 32.291 32.332 -0.041 1
1 1039 . 17 1 1 A 84 84 LYS N N 84 121.473 119.432 2.041 1
1 1040 . 17 1 1 A 85 85 GLU H H 85 8.567 8.508 0.059 1
1 1041 . 17 1 1 A 85 85 GLU HA H 85 4.013 4.093 -0.080 1
1 1046 . 17 1 1 A 85 85 GLU CA C 85 59.360 59.289 0.071 1
1 1047 . 17 1 1 A 85 85 GLU CB C 85 30.033 29.352 0.681 1
1 1049 . 17 1 1 A 85 85 GLU N N 85 119.645 118.270 1.375 1
1 1050 . 17 1 1 A 86 86 ARG H H 86 8.467 7.646 0.821 1
1 1051 . 17 1 1 A 86 86 ARG HA H 86 4.030 4.029 0.001 1
1 1058 . 17 1 1 A 86 86 ARG C C 86 177.790 176.592 1.198 1
1 1059 . 17 1 1 A 86 86 ARG CA C 86 58.556 59.192 -0.636 1
1 1060 . 17 1 1 A 86 86 ARG CB C 86 30.377 30.197 0.180 1
1 1063 . 17 1 1 A 86 86 ARG N N 86 119.408 120.801 -1.393 1
1 1064 . 17 1 1 A 87 87 SER H H 87 7.851 7.859 -0.008 1
1 1065 . 17 1 1 A 87 87 SER HA H 87 4.369 4.090 0.279 1
1 1068 . 17 1 1 A 87 87 SER C C 87 175.282 174.391 0.891 1
1 1069 . 17 1 1 A 87 87 SER CA C 87 60.271 59.098 1.173 1
1 1070 . 17 1 1 A 87 87 SER CB C 87 63.601 61.409 2.192 1
1 1071 . 17 1 1 A 87 87 SER N N 87 115.071 113.678 1.393 1
1 1072 . 17 1 1 A 88 88 GLU H H 88 7.891 7.970 -0.079 1
1 1073 . 17 1 1 A 88 88 GLU HA H 88 4.316 4.620 -0.304 1
1 1078 . 17 1 1 A 88 88 GLU C C 88 176.801 176.878 -0.077 1
1 1079 . 17 1 1 A 88 88 GLU CA C 88 57.036 55.380 1.656 1
1 1080 . 17 1 1 A 88 88 GLU CB C 88 30.024 30.015 0.009 1
1 1082 . 17 1 1 A 88 88 GLU N N 88 121.067 118.970 2.097 1
1 1083 . 17 1 1 A 89 89 SER H H 89 7.934 8.451 -0.517 1
1 1084 . 17 1 1 A 89 89 SER HA H 89 4.503 4.156 0.347 1
1 1087 . 17 1 1 A 89 89 SER C C 89 174.624 174.002 0.622 1
1 1088 . 17 1 1 A 89 89 SER CA C 89 58.875 59.336 -0.461 1
1 1089 . 17 1 1 A 89 89 SER CB C 89 64.040 60.971 3.069 1
1 1090 . 17 1 1 A 89 89 SER N N 89 115.241 117.844 -2.603 1
1 1091 . 17 1 1 A 90 90 GLY H H 90 8.062 8.109 -0.047 1
1 1092 . 17 1 1 A 90 90 GLY HA2 H 90 4.210 4.036 0.174 1
1 1093 . 17 1 1 A 90 90 GLY HA3 H 90 4.083 4.037 0.046 1
1 1094 . 17 1 1 A 90 90 GLY C C 90 171.774 173.227 -1.453 1
1 1095 . 17 1 1 A 90 90 GLY CA C 90 44.872 44.530 0.342 1
1 1096 . 17 1 1 A 90 90 GLY N N 90 110.384 109.936 0.448 1
1 1097 . 17 1 1 A 91 91 PRO HA H 91 4.495 4.631 -0.136 1
1 1104 . 17 1 1 A 91 91 PRO C C 91 177.475 175.742 1.733 1
1 1105 . 17 1 1 A 91 91 PRO CA C 91 63.295 62.515 0.780 1
1 1106 . 17 1 1 A 91 91 PRO CB C 91 32.234 33.284 -1.050 1
1 1109 . 17 1 1 A 92 92 SER H H 92 8.557 8.570 -0.013 1
1 1110 . 17 1 1 A 92 92 SER HA H 92 4.575 4.756 -0.181 1
1 1113 . 17 1 1 A 92 92 SER C C 92 174.736 173.042 1.694 1
1 1114 . 17 1 1 A 92 92 SER CA C 92 58.380 57.032 1.348 1
1 1115 . 17 1 1 A 92 92 SER CB C 92 64.221 64.182 0.039 1
1 1 . 18 1 1 A 6 6 SER H H 6 8.063 8.453 -0.390 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.493 4.713 -0.220 1
1 5 . 18 1 1 A 6 6 SER CA C 6 59.071 56.840 2.231 1
1 6 . 18 1 1 A 6 6 SER CB C 6 63.626 62.727 0.899 1
1 7 . 18 1 1 A 7 7 GLY H H 7 8.424 8.438 -0.014 1
1 8 . 18 1 1 A 7 7 GLY HA2 H 7 3.985 3.995 -0.010 1
1 9 . 18 1 1 A 7 7 GLY HA3 H 7 3.834 3.996 -0.162 1
1 10 . 18 1 1 A 7 7 GLY CA C 7 47.092 46.220 0.872 1
1 11 . 18 1 1 A 7 7 GLY N N 7 109.548 110.260 -0.712 1
1 12 . 18 1 1 A 8 8 ILE H H 8 7.565 7.665 -0.100 1
1 13 . 18 1 1 A 8 8 ILE HA H 8 3.883 4.799 -0.916 1
1 23 . 18 1 1 A 8 8 ILE CA C 8 63.805 59.897 3.908 1
1 24 . 18 1 1 A 8 8 ILE CB C 8 37.866 40.856 -2.990 1
1 28 . 18 1 1 A 8 8 ILE N N 8 123.348 120.402 2.946 1
1 29 . 18 1 1 A 9 9 VAL H H 9 7.538 8.714 -1.176 1
1 30 . 18 1 1 A 9 9 VAL HA H 9 3.471 4.644 -1.173 1
1 38 . 18 1 1 A 9 9 VAL CA C 9 66.382 60.328 6.054 1
1 39 . 18 1 1 A 9 9 VAL CB C 9 31.755 35.706 -3.951 1
1 42 . 18 1 1 A 9 9 VAL N N 9 121.471 124.752 -3.281 1
1 43 . 18 1 1 A 10 10 LEU H H 10 7.941 9.076 -1.135 1
1 44 . 18 1 1 A 10 10 LEU HA H 10 3.848 3.995 -0.147 1
1 54 . 18 1 1 A 10 10 LEU CA C 10 58.619 57.474 1.145 1
1 55 . 18 1 1 A 10 10 LEU CB C 10 41.377 42.017 -0.640 1
1 59 . 18 1 1 A 10 10 LEU N N 10 119.521 126.257 -6.736 1
1 60 . 18 1 1 A 11 11 LEU H H 11 8.207 7.641 0.566 1
1 61 . 18 1 1 A 11 11 LEU HA H 11 3.792 4.169 -0.377 1
1 71 . 18 1 1 A 11 11 LEU CA C 11 58.241 56.791 1.450 1
1 72 . 18 1 1 A 11 11 LEU CB C 11 41.790 42.510 -0.720 1
1 76 . 18 1 1 A 11 11 LEU N N 11 119.938 119.416 0.522 1
1 77 . 18 1 1 A 12 12 ARG H H 12 7.904 8.303 -0.399 1
1 78 . 18 1 1 A 12 12 ARG HA H 12 3.966 3.895 0.071 1
1 85 . 18 1 1 A 12 12 ARG CA C 12 59.301 59.855 -0.554 1
1 86 . 18 1 1 A 12 12 ARG CB C 12 30.132 30.120 0.012 1
1 89 . 18 1 1 A 12 12 ARG N N 12 116.799 119.458 -2.659 1
1 90 . 18 1 1 A 13 13 GLY H H 13 8.190 8.399 -0.209 1
1 91 . 18 1 1 A 13 13 GLY HA2 H 13 3.740 3.845 -0.105 1
1 92 . 18 1 1 A 13 13 GLY HA3 H 13 3.437 3.853 -0.416 1
1 93 . 18 1 1 A 13 13 GLY CA C 13 47.988 46.853 1.135 1
1 94 . 18 1 1 A 13 13 GLY N N 13 107.618 106.659 0.959 1
1 95 . 18 1 1 A 14 14 LEU H H 14 8.515 8.112 0.403 1
1 96 . 18 1 1 A 14 14 LEU HA H 14 3.785 4.022 -0.237 1
1 106 . 18 1 1 A 14 14 LEU C C 14 178.232 178.148 0.084 1
1 107 . 18 1 1 A 14 14 LEU CA C 14 57.401 57.676 -0.275 1
1 108 . 18 1 1 A 14 14 LEU CB C 14 41.981 41.746 0.235 1
1 112 . 18 1 1 A 14 14 LEU N N 14 120.161 122.171 -2.010 1
1 113 . 18 1 1 A 15 15 GLU H H 15 7.931 8.429 -0.498 1
1 114 . 18 1 1 A 15 15 GLU HA H 15 4.030 3.810 0.220 1
1 119 . 18 1 1 A 15 15 GLU CA C 15 57.961 59.571 -1.610 1
1 120 . 18 1 1 A 15 15 GLU CB C 15 30.140 29.315 0.825 1
1 122 . 18 1 1 A 15 15 GLU N N 15 114.703 117.695 -2.992 1
1 123 . 18 1 1 A 16 16 CYS H H 16 7.612 7.999 -0.387 1
1 124 . 18 1 1 A 16 16 CYS HA H 16 4.457 4.013 0.444 1
1 127 . 18 1 1 A 16 16 CYS CA C 16 60.982 62.276 -1.294 1
1 128 . 18 1 1 A 16 16 CYS CB C 16 27.917 26.788 1.129 1
1 129 . 18 1 1 A 16 16 CYS N N 16 114.695 118.676 -3.981 1
1 130 . 18 1 1 A 17 17 ILE H H 17 7.142 7.313 -0.171 1
1 131 . 18 1 1 A 17 17 ILE HA H 17 4.533 4.396 0.137 1
1 141 . 18 1 1 A 17 17 ILE CA C 17 61.521 60.899 0.622 1
1 142 . 18 1 1 A 17 17 ILE CB C 17 39.206 39.193 0.013 1
1 146 . 18 1 1 A 17 17 ILE N N 17 115.031 116.653 -1.622 1
1 147 . 18 1 1 A 18 18 ASN H H 18 8.325 9.085 -0.760 1
1 148 . 18 1 1 A 18 18 ASN HA H 18 4.575 4.885 -0.310 1
1 153 . 18 1 1 A 18 18 ASN C C 18 175.171 177.327 -2.156 1
1 154 . 18 1 1 A 18 18 ASN CA C 18 53.278 53.111 0.167 1
1 155 . 18 1 1 A 18 18 ASN CB C 18 38.419 39.355 -0.936 1
1 156 . 18 1 1 A 18 18 ASN N N 18 119.943 121.693 -1.750 1
1 158 . 18 1 1 A 19 19 LYS H H 19 8.514 8.912 -0.398 1
1 159 . 18 1 1 A 19 19 LYS HA H 19 4.242 4.204 0.038 1
1 168 . 18 1 1 A 19 19 LYS C C 19 178.868 178.906 -0.038 1
1 169 . 18 1 1 A 19 19 LYS CA C 19 60.006 59.460 0.546 1
1 170 . 18 1 1 A 19 19 LYS CB C 19 32.291 32.304 -0.013 1
1 174 . 18 1 1 A 19 19 LYS N N 19 118.191 122.978 -4.787 1
1 175 . 18 1 1 A 20 20 HIS H H 20 8.328 8.141 0.187 1
1 176 . 18 1 1 A 20 20 HIS HA H 20 4.371 4.308 0.063 1
1 181 . 18 1 1 A 20 20 HIS C C 20 178.335 176.557 1.778 1
1 182 . 18 1 1 A 20 20 HIS CA C 20 59.785 59.497 0.288 1
1 183 . 18 1 1 A 20 20 HIS CB C 20 29.879 30.316 -0.437 1
1 186 . 18 1 1 A 20 20 HIS N N 20 120.900 119.853 1.047 1
1 187 . 18 1 1 A 21 21 TYR H H 21 8.464 7.976 0.488 1
1 188 . 18 1 1 A 21 21 TYR HA H 21 4.540 4.097 0.443 1
1 195 . 18 1 1 A 21 21 TYR C C 21 178.222 178.639 -0.417 1
1 196 . 18 1 1 A 21 21 TYR CA C 21 61.863 61.634 0.229 1
1 197 . 18 1 1 A 21 21 TYR CB C 21 38.012 38.340 -0.328 1
1 202 . 18 1 1 A 21 21 TYR N N 21 118.132 117.123 1.009 1
1 203 . 18 1 1 A 22 22 PHE H H 22 9.095 8.372 0.723 1
1 204 . 18 1 1 A 22 22 PHE HA H 22 4.616 4.165 0.451 1
1 212 . 18 1 1 A 22 22 PHE C C 22 177.409 177.623 -0.214 1
1 213 . 18 1 1 A 22 22 PHE CA C 22 59.761 61.733 -1.972 1
1 214 . 18 1 1 A 22 22 PHE CB C 22 38.982 39.327 -0.345 1
1 220 . 18 1 1 A 22 22 PHE N N 22 121.771 120.933 0.838 1
1 221 . 18 1 1 A 23 23 SER H H 23 8.400 8.361 0.039 1
1 222 . 18 1 1 A 23 23 SER HA H 23 3.785 3.939 -0.154 1
1 225 . 18 1 1 A 23 23 SER C C 23 177.318 177.333 -0.015 1
1 226 . 18 1 1 A 23 23 SER CA C 23 62.453 61.414 1.039 1
1 227 . 18 1 1 A 23 23 SER CB C 23 62.279 62.998 -0.719 1
1 228 . 18 1 1 A 23 23 SER N N 23 115.511 113.721 1.790 1
1 229 . 18 1 1 A 24 24 LEU H H 24 7.737 8.322 -0.585 1
1 230 . 18 1 1 A 24 24 LEU HA H 24 4.118 3.989 0.129 1
1 240 . 18 1 1 A 24 24 LEU C C 24 178.956 179.134 -0.178 1
1 241 . 18 1 1 A 24 24 LEU CA C 24 57.992 57.832 0.160 1
1 242 . 18 1 1 A 24 24 LEU CB C 24 42.066 42.338 -0.272 1
1 246 . 18 1 1 A 24 24 LEU N N 24 123.378 122.097 1.281 1
1 247 . 18 1 1 A 25 25 PHE H H 25 8.643 7.800 0.843 1
1 248 . 18 1 1 A 25 25 PHE HA H 25 3.475 3.443 0.032 1
1 256 . 18 1 1 A 25 25 PHE C C 25 176.905 177.038 -0.133 1
1 257 . 18 1 1 A 25 25 PHE CA C 25 61.196 61.494 -0.298 1
1 258 . 18 1 1 A 25 25 PHE CB C 25 38.741 38.734 0.007 1
1 264 . 18 1 1 A 25 25 PHE N N 25 122.640 118.637 4.003 1
1 265 . 18 1 1 A 26 26 LYS H H 26 8.022 7.782 0.240 1
1 266 . 18 1 1 A 26 26 LYS HA H 26 3.197 3.668 -0.471 1
1 275 . 18 1 1 A 26 26 LYS C C 26 177.424 178.731 -1.307 1
1 276 . 18 1 1 A 26 26 LYS CA C 26 61.439 59.742 1.697 1
1 277 . 18 1 1 A 26 26 LYS CB C 26 32.363 31.770 0.593 1
1 281 . 18 1 1 A 26 26 LYS N N 26 116.023 117.568 -1.545 1
1 282 . 18 1 1 A 27 27 SER H H 27 7.473 7.736 -0.263 1
1 283 . 18 1 1 A 27 27 SER HA H 27 4.134 4.204 -0.070 1
1 286 . 18 1 1 A 27 27 SER C C 27 177.449 176.768 0.681 1
1 287 . 18 1 1 A 27 27 SER CA C 27 61.544 61.071 0.473 1
1 288 . 18 1 1 A 27 27 SER CB C 27 62.828 62.892 -0.064 1
1 289 . 18 1 1 A 27 27 SER N N 27 111.668 114.976 -3.308 1
1 290 . 18 1 1 A 28 28 LEU H H 28 7.625 7.457 0.168 1
1 291 . 18 1 1 A 28 28 LEU HA H 28 4.117 4.065 0.052 1
1 301 . 18 1 1 A 28 28 LEU C C 28 179.076 178.096 0.980 1
1 302 . 18 1 1 A 28 28 LEU CA C 28 57.336 56.988 0.348 1
1 303 . 18 1 1 A 28 28 LEU CB C 28 41.585 41.814 -0.229 1
1 307 . 18 1 1 A 28 28 LEU N N 28 123.121 121.901 1.220 1
1 308 . 18 1 1 A 29 29 LEU H H 29 7.391 7.334 0.057 1
1 309 . 18 1 1 A 29 29 LEU HA H 29 4.276 4.218 0.058 1
1 319 . 18 1 1 A 29 29 LEU C C 29 177.606 177.869 -0.263 1
1 320 . 18 1 1 A 29 29 LEU CA C 29 54.243 55.345 -1.102 1
1 321 . 18 1 1 A 29 29 LEU CB C 29 41.665 42.185 -0.520 1
1 325 . 18 1 1 A 29 29 LEU N N 29 119.910 118.023 1.887 1
1 326 . 18 1 1 A 30 30 ALA H H 30 7.242 8.144 -0.902 1
1 327 . 18 1 1 A 30 30 ALA HA H 30 3.505 3.859 -0.354 1
1 331 . 18 1 1 A 30 30 ALA C C 30 179.568 179.612 -0.044 1
1 332 . 18 1 1 A 30 30 ALA CA C 30 56.470 55.411 1.059 1
1 333 . 18 1 1 A 30 30 ALA CB C 30 18.818 18.501 0.317 1
1 334 . 18 1 1 A 30 30 ALA N N 30 122.470 122.580 -0.110 1
1 335 . 18 1 1 A 31 31 ARG H H 31 8.256 7.918 0.338 1
1 336 . 18 1 1 A 31 31 ARG HA H 31 4.142 4.046 0.096 1
1 343 . 18 1 1 A 31 31 ARG C C 31 179.303 178.366 0.937 1
1 344 . 18 1 1 A 31 31 ARG CA C 31 58.917 59.005 -0.088 1
1 345 . 18 1 1 A 31 31 ARG CB C 31 29.407 29.980 -0.573 1
1 348 . 18 1 1 A 31 31 ARG N N 31 116.240 116.797 -0.557 1
1 349 . 18 1 1 A 32 32 ASP H H 32 8.205 8.113 0.092 1
1 350 . 18 1 1 A 32 32 ASP HA H 32 4.334 4.396 -0.062 1
1 353 . 18 1 1 A 32 32 ASP C C 32 177.470 178.202 -0.732 1
1 354 . 18 1 1 A 32 32 ASP CA C 32 57.336 56.964 0.372 1
1 355 . 18 1 1 A 32 32 ASP CB C 32 41.582 40.735 0.847 1
1 356 . 18 1 1 A 32 32 ASP N N 32 120.398 119.912 0.486 1
1 357 . 18 1 1 A 33 33 LEU H H 33 7.933 8.126 -0.193 1
1 358 . 18 1 1 A 33 33 LEU HA H 33 4.206 4.112 0.094 1
1 368 . 18 1 1 A 33 33 LEU C C 33 175.261 176.457 -1.196 1
1 369 . 18 1 1 A 33 33 LEU CA C 33 53.700 55.746 -2.046 1
1 370 . 18 1 1 A 33 33 LEU CB C 33 41.306 41.879 -0.573 1
1 374 . 18 1 1 A 33 33 LEU N N 33 113.338 118.211 -4.873 1
1 375 . 18 1 1 A 34 34 ASN H H 34 7.688 7.706 -0.018 1
1 376 . 18 1 1 A 34 34 ASN HA H 34 4.307 4.466 -0.159 1
1 381 . 18 1 1 A 34 34 ASN C C 34 175.092 174.530 0.562 1
1 382 . 18 1 1 A 34 34 ASN CA C 34 53.960 54.356 -0.396 1
1 383 . 18 1 1 A 34 34 ASN CB C 34 37.073 36.650 0.423 1
1 384 . 18 1 1 A 34 34 ASN N N 34 116.912 115.519 1.393 1
1 386 . 18 1 1 A 35 35 LEU H H 35 8.177 7.807 0.370 1
1 387 . 18 1 1 A 35 35 LEU HA H 35 4.008 4.350 -0.342 1
1 397 . 18 1 1 A 35 35 LEU C C 35 177.637 176.041 1.596 1
1 398 . 18 1 1 A 35 35 LEU CA C 35 54.233 54.898 -0.665 1
1 399 . 18 1 1 A 35 35 LEU CB C 35 41.024 42.338 -1.314 1
1 403 . 18 1 1 A 35 35 LEU N N 35 115.363 118.990 -3.627 1
1 404 . 18 1 1 A 36 36 GLU H H 36 8.419 9.010 -0.591 1
1 405 . 18 1 1 A 36 36 GLU HA H 36 4.175 4.615 -0.440 1
1 410 . 18 1 1 A 36 36 GLU C C 36 177.626 176.698 0.928 1
1 411 . 18 1 1 A 36 36 GLU CA C 36 56.872 55.519 1.353 1
1 412 . 18 1 1 A 36 36 GLU CB C 36 29.675 30.152 -0.477 1
1 414 . 18 1 1 A 36 36 GLU N N 36 122.591 120.674 1.917 1
1 415 . 18 1 1 A 37 37 ARG H H 37 8.577 8.596 -0.019 1
1 416 . 18 1 1 A 37 37 ARG HA H 37 3.889 4.006 -0.117 1
1 423 . 18 1 1 A 37 37 ARG C C 37 178.119 177.829 0.290 1
1 424 . 18 1 1 A 37 37 ARG CA C 37 58.924 59.535 -0.611 1
1 425 . 18 1 1 A 37 37 ARG CB C 37 30.074 29.876 0.198 1
1 428 . 18 1 1 A 37 37 ARG N N 37 124.790 126.470 -1.680 1
1 429 . 18 1 1 A 38 38 ASP H H 38 8.623 8.730 -0.107 1
1 430 . 18 1 1 A 38 38 ASP HA H 38 4.591 4.492 0.099 1
1 433 . 18 1 1 A 38 38 ASP C C 38 176.021 177.479 -1.458 1
1 434 . 18 1 1 A 38 38 ASP CA C 38 55.073 57.139 -2.066 1
1 435 . 18 1 1 A 38 38 ASP CB C 38 40.722 40.502 0.220 1
1 436 . 18 1 1 A 38 38 ASP N N 38 116.313 118.074 -1.761 1
1 437 . 18 1 1 A 39 39 ASN H H 39 7.668 7.871 -0.203 1
1 438 . 18 1 1 A 39 39 ASN HA H 39 4.936 5.023 -0.087 1
1 443 . 18 1 1 A 39 39 ASN C C 39 175.702 175.585 0.117 1
1 444 . 18 1 1 A 39 39 ASN CA C 39 52.626 52.897 -0.271 1
1 445 . 18 1 1 A 39 39 ASN CB C 39 38.966 38.993 -0.027 1
1 446 . 18 1 1 A 39 39 ASN N N 39 116.330 116.124 0.206 1
1 448 . 18 1 1 A 40 40 GLN H H 40 8.324 7.989 0.335 1
1 449 . 18 1 1 A 40 40 GLN HA H 40 4.285 4.421 -0.136 1
1 456 . 18 1 1 A 40 40 GLN C C 40 178.897 178.482 0.415 1
1 457 . 18 1 1 A 40 40 GLN CA C 40 58.513 58.176 0.337 1
1 458 . 18 1 1 A 40 40 GLN CB C 40 29.225 29.157 0.068 1
1 460 . 18 1 1 A 40 40 GLN N N 40 119.556 119.316 0.240 1
1 462 . 18 1 1 A 41 41 GLU H H 41 8.956 8.223 0.733 1
1 463 . 18 1 1 A 41 41 GLU HA H 41 3.950 4.072 -0.122 1
1 468 . 18 1 1 A 41 41 GLU C C 41 176.712 178.477 -1.765 1
1 469 . 18 1 1 A 41 41 GLU CA C 41 58.716 59.510 -0.794 1
1 470 . 18 1 1 A 41 41 GLU CB C 41 29.124 29.219 -0.095 1
1 472 . 18 1 1 A 41 41 GLU N N 41 121.919 119.008 2.911 1
1 473 . 18 1 1 A 42 42 GLN H H 42 7.634 8.099 -0.465 1
1 474 . 18 1 1 A 42 42 GLN HA H 42 4.052 4.143 -0.091 1
1 481 . 18 1 1 A 42 42 GLN C C 42 176.286 176.224 0.062 1
1 482 . 18 1 1 A 42 42 GLN CA C 42 56.859 58.096 -1.237 1
1 483 . 18 1 1 A 42 42 GLN CB C 42 28.418 27.994 0.424 1
1 485 . 18 1 1 A 42 42 GLN N N 42 114.515 117.825 -3.310 1
1 487 . 18 1 1 A 43 43 TYR H H 43 6.692 7.744 -1.052 1
1 488 . 18 1 1 A 43 43 TYR HA H 43 4.866 4.579 0.287 1
1 495 . 18 1 1 A 43 43 TYR C C 43 177.063 175.398 1.665 1
1 496 . 18 1 1 A 43 43 TYR CA C 43 58.627 58.764 -0.137 1
1 497 . 18 1 1 A 43 43 TYR CB C 43 39.628 39.015 0.613 1
1 502 . 18 1 1 A 43 43 TYR N N 43 116.167 120.099 -3.932 1
1 503 . 18 1 1 A 44 44 THR H H 44 8.785 8.750 0.035 1
1 504 . 18 1 1 A 44 44 THR HA H 44 4.800 5.177 -0.377 1
1 509 . 18 1 1 A 44 44 THR C C 44 176.061 175.327 0.734 1
1 510 . 18 1 1 A 44 44 THR CA C 44 60.519 60.274 0.245 1
1 511 . 18 1 1 A 44 44 THR CB C 44 71.926 71.553 0.373 1
1 513 . 18 1 1 A 44 44 THR N N 44 116.779 112.750 4.029 1
1 514 . 18 1 1 A 45 45 THR H H 45 8.849 8.839 0.010 1
1 515 . 18 1 1 A 45 45 THR HA H 45 3.626 3.952 -0.326 1
1 520 . 18 1 1 A 45 45 THR C C 45 176.458 176.420 0.038 1
1 521 . 18 1 1 A 45 45 THR CA C 45 65.716 64.742 0.974 1
1 522 . 18 1 1 A 45 45 THR CB C 45 67.141 68.588 -1.447 1
1 524 . 18 1 1 A 45 45 THR N N 45 112.579 113.957 -1.378 1
1 525 . 18 1 1 A 46 46 ILE H H 46 7.144 7.890 -0.746 1
1 526 . 18 1 1 A 46 46 ILE HA H 46 3.803 3.858 -0.055 1
1 536 . 18 1 1 A 46 46 ILE C C 46 177.573 177.976 -0.403 1
1 537 . 18 1 1 A 46 46 ILE CA C 46 64.078 64.255 -0.177 1
1 538 . 18 1 1 A 46 46 ILE CB C 46 38.733 37.622 1.111 1
1 542 . 18 1 1 A 46 46 ILE N N 46 119.409 122.730 -3.321 1
1 543 . 18 1 1 A 47 47 GLN H H 47 7.552 7.956 -0.404 1
1 544 . 18 1 1 A 47 47 GLN HA H 47 4.124 4.002 0.122 1
1 551 . 18 1 1 A 47 47 GLN C C 47 179.640 178.614 1.026 1
1 552 . 18 1 1 A 47 47 GLN CA C 47 59.282 59.203 0.079 1
1 553 . 18 1 1 A 47 47 GLN CB C 47 29.242 28.564 0.678 1
1 555 . 18 1 1 A 47 47 GLN N N 47 119.564 118.460 1.104 1
1 557 . 18 1 1 A 48 48 ILE H H 48 8.520 8.203 0.317 1
1 558 . 18 1 1 A 48 48 ILE HA H 48 3.861 3.675 0.186 1
1 568 . 18 1 1 A 48 48 ILE C C 48 177.779 178.112 -0.333 1
1 569 . 18 1 1 A 48 48 ILE CA C 48 61.208 65.589 -4.381 1
1 570 . 18 1 1 A 48 48 ILE CB C 48 34.654 38.016 -3.362 1
1 574 . 18 1 1 A 48 48 ILE N N 48 118.052 120.579 -2.527 1
1 575 . 18 1 1 A 49 49 ALA H H 49 8.826 8.436 0.390 1
1 576 . 18 1 1 A 49 49 ALA HA H 49 4.071 4.140 -0.069 1
1 580 . 18 1 1 A 49 49 ALA C C 49 179.849 179.870 -0.021 1
1 581 . 18 1 1 A 49 49 ALA CA C 49 55.909 55.573 0.336 1
1 582 . 18 1 1 A 49 49 ALA CB C 49 18.289 18.500 -0.211 1
1 583 . 18 1 1 A 49 49 ALA N N 49 123.182 122.688 0.494 1
1 584 . 18 1 1 A 50 50 ASN H H 50 8.319 8.099 0.220 1
1 585 . 18 1 1 A 50 50 ASN HA H 50 4.517 4.429 0.088 1
1 590 . 18 1 1 A 50 50 ASN CA C 50 56.309 56.727 -0.418 1
1 591 . 18 1 1 A 50 50 ASN CB C 50 38.198 38.243 -0.045 1
1 592 . 18 1 1 A 50 50 ASN N N 50 116.379 117.513 -1.134 1
1 594 . 18 1 1 A 51 51 MET H H 51 8.233 8.081 0.152 1
1 595 . 18 1 1 A 51 51 MET HA H 51 4.132 4.055 0.077 1
1 603 . 18 1 1 A 51 51 MET CA C 51 59.312 58.571 0.741 1
1 604 . 18 1 1 A 51 51 MET CB C 51 34.763 31.934 2.829 1
1 607 . 18 1 1 A 51 51 MET N N 51 119.934 117.962 1.972 1
1 608 . 18 1 1 A 52 52 MET H H 52 8.926 8.130 0.796 1
1 609 . 18 1 1 A 52 52 MET HA H 52 3.874 4.239 -0.365 1
1 617 . 18 1 1 A 52 52 MET C C 52 177.228 178.785 -1.557 1
1 618 . 18 1 1 A 52 52 MET CA C 52 60.218 58.221 1.997 1
1 619 . 18 1 1 A 52 52 MET CB C 52 33.427 33.111 0.316 1
1 622 . 18 1 1 A 52 52 MET N N 52 120.686 118.843 1.843 1
1 623 . 18 1 1 A 53 53 GLU H H 53 8.111 8.534 -0.423 1
1 624 . 18 1 1 A 53 53 GLU HA H 53 3.863 4.052 -0.189 1
1 629 . 18 1 1 A 53 53 GLU C C 53 177.640 178.727 -1.087 1
1 630 . 18 1 1 A 53 53 GLU CA C 53 59.847 59.568 0.279 1
1 631 . 18 1 1 A 53 53 GLU CB C 53 29.778 29.294 0.484 1
1 633 . 18 1 1 A 53 53 GLU N N 53 119.207 119.395 -0.188 1
1 634 . 18 1 1 A 54 54 GLU H H 54 7.030 7.782 -0.752 1
1 635 . 18 1 1 A 54 54 GLU HA H 54 4.014 4.255 -0.241 1
1 640 . 18 1 1 A 54 54 GLU C C 54 178.008 178.581 -0.573 1
1 641 . 18 1 1 A 54 54 GLU CA C 54 58.211 58.209 0.002 1
1 642 . 18 1 1 A 54 54 GLU CB C 54 30.149 30.303 -0.154 1
1 644 . 18 1 1 A 54 54 GLU N N 54 115.049 119.140 -4.091 1
1 645 . 18 1 1 A 55 55 LYS H H 55 7.670 8.044 -0.374 1
1 646 . 18 1 1 A 55 55 LYS HA H 55 3.930 3.779 0.151 1
1 655 . 18 1 1 A 55 55 LYS C C 55 175.986 175.934 0.052 1
1 656 . 18 1 1 A 55 55 LYS CA C 55 56.405 58.706 -2.301 1
1 657 . 18 1 1 A 55 55 LYS CB C 55 32.705 31.746 0.959 1
1 661 . 18 1 1 A 55 55 LYS N N 55 117.040 120.076 -3.036 1
1 662 . 18 1 1 A 56 56 PHE H H 56 8.079 8.267 -0.188 1
1 663 . 18 1 1 A 56 56 PHE HA H 56 5.215 5.097 0.118 1
1 671 . 18 1 1 A 56 56 PHE CA C 56 53.965 54.983 -1.018 1
1 672 . 18 1 1 A 56 56 PHE CB C 56 38.759 39.378 -0.619 1
1 678 . 18 1 1 A 56 56 PHE N N 56 117.341 116.881 0.460 1
1 679 . 18 1 1 A 57 57 PRO HA H 57 4.514 4.547 -0.033 1
1 686 . 18 1 1 A 57 57 PRO CA C 57 64.818 64.321 0.497 1
1 687 . 18 1 1 A 57 57 PRO CB C 57 32.192 31.931 0.261 1
1 690 . 18 1 1 A 58 58 ALA H H 58 8.619 8.343 0.276 1
1 691 . 18 1 1 A 58 58 ALA HA H 58 4.206 4.123 0.083 1
1 695 . 18 1 1 A 58 58 ALA CA C 58 55.406 55.237 0.169 1
1 696 . 18 1 1 A 58 58 ALA CB C 58 18.353 18.801 -0.448 1
1 697 . 18 1 1 A 58 58 ALA N N 58 120.173 120.562 -0.389 1
1 698 . 18 1 1 A 59 59 ASP H H 59 7.515 8.007 -0.492 1
1 699 . 18 1 1 A 59 59 ASP HA H 59 4.810 4.755 0.055 1
1 702 . 18 1 1 A 59 59 ASP CA C 59 52.659 53.760 -1.101 1
1 703 . 18 1 1 A 59 59 ASP CB C 59 41.778 41.910 -0.132 1
1 704 . 18 1 1 A 59 59 ASP N N 59 113.536 115.293 -1.757 1
1 705 . 18 1 1 A 60 60 SER H H 60 8.392 8.695 -0.303 1
1 706 . 18 1 1 A 60 60 SER HA H 60 4.176 4.656 -0.480 1
1 709 . 18 1 1 A 60 60 SER CA C 60 60.221 59.599 0.622 1
1 710 . 18 1 1 A 60 60 SER CB C 60 62.050 61.623 0.427 1
1 711 . 18 1 1 A 60 60 SER N N 60 113.717 113.142 0.575 1
1 712 . 18 1 1 A 61 61 GLY H H 61 8.299 8.477 -0.178 1
1 713 . 18 1 1 A 61 61 GLY HA2 H 61 4.005 3.961 0.044 1
1 714 . 18 1 1 A 61 61 GLY HA3 H 61 3.502 4.065 -0.563 1
1 715 . 18 1 1 A 61 61 GLY CA C 61 45.554 45.910 -0.356 1
1 716 . 18 1 1 A 61 61 GLY N N 61 104.225 106.075 -1.850 1
1 717 . 18 1 1 A 62 62 LEU H H 62 7.927 7.830 0.097 1
1 718 . 18 1 1 A 62 62 LEU HA H 62 3.915 4.055 -0.140 1
1 728 . 18 1 1 A 62 62 LEU CA C 62 58.075 57.756 0.319 1
1 729 . 18 1 1 A 62 62 LEU CB C 62 41.731 42.104 -0.373 1
1 733 . 18 1 1 A 62 62 LEU N N 62 122.094 122.674 -0.580 1
1 734 . 18 1 1 A 63 63 GLY H H 63 8.566 8.452 0.114 1
1 735 . 18 1 1 A 63 63 GLY HA2 H 63 3.847 3.766 0.081 1
1 736 . 18 1 1 A 63 63 GLY HA3 H 63 3.592 3.776 -0.184 1
1 737 . 18 1 1 A 63 63 GLY CA C 63 47.146 47.288 -0.142 1
1 738 . 18 1 1 A 63 63 GLY N N 63 105.732 106.186 -0.454 1
1 739 . 18 1 1 A 64 64 LYS H H 64 7.509 8.178 -0.669 1
1 740 . 18 1 1 A 64 64 LYS HA H 64 4.115 3.959 0.156 1
1 749 . 18 1 1 A 64 64 LYS C C 64 179.856 178.871 0.985 1
1 750 . 18 1 1 A 64 64 LYS CA C 64 57.768 59.243 -1.475 1
1 751 . 18 1 1 A 64 64 LYS CB C 64 31.542 32.211 -0.669 1
1 755 . 18 1 1 A 64 64 LYS N N 64 120.697 121.907 -1.210 1
1 756 . 18 1 1 A 65 65 LEU H H 65 7.544 7.595 -0.051 1
1 757 . 18 1 1 A 65 65 LEU HA H 65 4.219 3.785 0.434 1
1 767 . 18 1 1 A 65 65 LEU C C 65 178.606 178.466 0.140 1
1 768 . 18 1 1 A 65 65 LEU CA C 65 57.675 57.514 0.161 1
1 769 . 18 1 1 A 65 65 LEU CB C 65 41.040 41.726 -0.686 1
1 773 . 18 1 1 A 65 65 LEU N N 65 120.399 120.451 -0.052 1
1 774 . 18 1 1 A 66 66 ILE H H 66 8.605 8.396 0.209 1
1 775 . 18 1 1 A 66 66 ILE HA H 66 3.271 3.456 -0.185 1
1 785 . 18 1 1 A 66 66 ILE C C 66 176.721 177.602 -0.881 1
1 786 . 18 1 1 A 66 66 ILE CA C 66 67.612 65.745 1.867 1
1 787 . 18 1 1 A 66 66 ILE CB C 66 38.006 37.793 0.213 1
1 791 . 18 1 1 A 66 66 ILE N N 66 121.170 119.863 1.307 1
1 792 . 18 1 1 A 67 67 GLU H H 67 8.157 8.091 0.066 1
1 793 . 18 1 1 A 67 67 GLU HA H 67 4.007 3.947 0.060 1
1 798 . 18 1 1 A 67 67 GLU C C 67 178.848 179.220 -0.372 1
1 799 . 18 1 1 A 67 67 GLU CA C 67 59.476 59.723 -0.247 1
1 800 . 18 1 1 A 67 67 GLU CB C 67 30.055 29.636 0.419 1
1 802 . 18 1 1 A 67 67 GLU N N 67 118.066 119.402 -1.336 1
1 803 . 18 1 1 A 68 68 PHE H H 68 7.673 7.953 -0.280 1
1 804 . 18 1 1 A 68 68 PHE HA H 68 4.393 4.125 0.268 1
1 812 . 18 1 1 A 68 68 PHE C C 68 176.609 177.631 -1.022 1
1 813 . 18 1 1 A 68 68 PHE CA C 68 60.660 61.458 -0.798 1
1 814 . 18 1 1 A 68 68 PHE CB C 68 39.666 39.407 0.259 1
1 820 . 18 1 1 A 68 68 PHE N N 68 119.383 121.365 -1.982 1
1 821 . 18 1 1 A 69 69 CYS H H 69 8.137 8.272 -0.135 1
1 822 . 18 1 1 A 69 69 CYS HA H 69 3.714 4.148 -0.434 1
1 825 . 18 1 1 A 69 69 CYS C C 69 175.221 177.248 -2.027 1
1 826 . 18 1 1 A 69 69 CYS CA C 69 62.782 61.848 0.934 1
1 827 . 18 1 1 A 69 69 CYS CB C 69 26.732 26.321 0.411 1
1 828 . 18 1 1 A 69 69 CYS N N 69 115.218 116.761 -1.543 1
1 829 . 18 1 1 A 70 70 GLU H H 70 8.108 7.755 0.353 1
1 830 . 18 1 1 A 70 70 GLU HA H 70 3.739 4.015 -0.276 1
1 835 . 18 1 1 A 70 70 GLU C C 70 178.404 178.639 -0.235 1
1 836 . 18 1 1 A 70 70 GLU CA C 70 58.839 59.431 -0.592 1
1 837 . 18 1 1 A 70 70 GLU CB C 70 30.149 29.468 0.681 1
1 839 . 18 1 1 A 70 70 GLU N N 70 113.937 120.712 -6.775 1
1 840 . 18 1 1 A 71 71 GLU H H 71 7.306 8.195 -0.889 1
1 841 . 18 1 1 A 71 71 GLU HA H 71 4.148 4.100 0.048 1
1 846 . 18 1 1 A 71 71 GLU C C 71 176.363 176.581 -0.218 1
1 847 . 18 1 1 A 71 71 GLU CA C 71 56.943 59.071 -2.128 1
1 848 . 18 1 1 A 71 71 GLU CB C 71 30.374 28.812 1.562 1
1 850 . 18 1 1 A 71 71 GLU N N 71 117.591 117.996 -0.405 1
1 851 . 18 1 1 A 72 72 VAL H H 72 7.055 7.799 -0.744 1
1 852 . 18 1 1 A 72 72 VAL HA H 72 4.220 4.133 0.087 1
1 860 . 18 1 1 A 72 72 VAL C C 72 174.906 175.777 -0.871 1
1 861 . 18 1 1 A 72 72 VAL CA C 72 59.360 59.035 0.325 1
1 862 . 18 1 1 A 72 72 VAL CB C 72 33.462 32.119 1.343 1
1 865 . 18 1 1 A 72 72 VAL N N 72 122.531 122.345 0.186 1
1 866 . 18 1 1 A 73 73 PRO HA H 73 3.887 4.454 -0.567 1
1 873 . 18 1 1 A 73 73 PRO C C 73 179.162 176.519 2.643 1
1 874 . 18 1 1 A 73 73 PRO CA C 73 66.658 64.100 2.558 1
1 875 . 18 1 1 A 73 73 PRO CB C 73 31.819 31.627 0.192 1
1 878 . 18 1 1 A 74 74 ALA H H 74 8.188 8.183 0.005 1
1 879 . 18 1 1 A 74 74 ALA HA H 74 4.217 4.470 -0.253 1
1 883 . 18 1 1 A 74 74 ALA C C 74 178.535 178.015 0.520 1
1 884 . 18 1 1 A 74 74 ALA CA C 74 54.149 52.415 1.734 1
1 885 . 18 1 1 A 74 74 ALA CB C 74 19.305 19.732 -0.427 1
1 886 . 18 1 1 A 74 74 ALA N N 74 116.317 121.661 -5.344 1
1 887 . 18 1 1 A 75 75 LEU H H 75 8.188 7.559 0.629 1
1 888 . 18 1 1 A 75 75 LEU HA H 75 4.607 4.397 0.210 1
1 898 . 18 1 1 A 75 75 LEU C C 75 177.094 177.458 -0.364 1
1 899 . 18 1 1 A 75 75 LEU CA C 75 53.645 54.744 -1.099 1
1 900 . 18 1 1 A 75 75 LEU CB C 75 42.633 43.149 -0.516 1
1 904 . 18 1 1 A 75 75 LEU N N 75 116.296 116.515 -0.219 1
1 905 . 18 1 1 A 76 76 ARG H H 76 7.332 7.789 -0.457 1
1 906 . 18 1 1 A 76 76 ARG HA H 76 3.789 3.906 -0.117 1
1 913 . 18 1 1 A 76 76 ARG C C 76 179.457 178.403 1.054 1
1 914 . 18 1 1 A 76 76 ARG CA C 76 60.815 60.019 0.796 1
1 915 . 18 1 1 A 76 76 ARG CB C 76 29.535 30.003 -0.468 1
1 918 . 18 1 1 A 76 76 ARG N N 76 122.654 120.232 2.422 1
1 919 . 18 1 1 A 77 77 LYS H H 77 8.489 7.891 0.598 1
1 920 . 18 1 1 A 77 77 LYS HA H 77 4.118 4.210 -0.092 1
1 929 . 18 1 1 A 77 77 LYS C C 77 179.135 178.596 0.539 1
1 930 . 18 1 1 A 77 77 LYS CA C 77 58.963 59.292 -0.329 1
1 931 . 18 1 1 A 77 77 LYS CB C 77 31.113 32.126 -1.013 1
1 935 . 18 1 1 A 77 77 LYS N N 77 119.343 119.732 -0.389 1
1 936 . 18 1 1 A 78 78 ARG H H 78 7.626 8.164 -0.538 1
1 937 . 18 1 1 A 78 78 ARG HA H 78 3.931 4.017 -0.086 1
1 944 . 18 1 1 A 78 78 ARG C C 78 178.200 177.796 0.404 1
1 945 . 18 1 1 A 78 78 ARG CA C 78 56.415 58.915 -2.500 1
1 946 . 18 1 1 A 78 78 ARG CB C 78 27.010 30.389 -3.379 1
1 949 . 18 1 1 A 78 78 ARG N N 78 120.202 119.360 0.842 1
1 950 . 18 1 1 A 79 79 ALA H H 79 8.138 8.141 -0.003 1
1 951 . 18 1 1 A 79 79 ALA HA H 79 3.837 4.022 -0.185 1
1 955 . 18 1 1 A 79 79 ALA C C 79 178.684 179.962 -1.278 1
1 956 . 18 1 1 A 79 79 ALA CA C 79 55.692 56.082 -0.390 1
1 957 . 18 1 1 A 79 79 ALA CB C 79 18.376 18.736 -0.360 1
1 958 . 18 1 1 A 79 79 ALA N N 79 120.388 121.114 -0.726 1
1 959 . 18 1 1 A 80 80 GLU H H 80 7.437 7.868 -0.431 1
1 960 . 18 1 1 A 80 80 GLU HA H 80 3.877 4.098 -0.221 1
1 965 . 18 1 1 A 80 80 GLU C C 80 179.640 178.755 0.885 1
1 966 . 18 1 1 A 80 80 GLU CA C 80 59.370 59.094 0.276 1
1 967 . 18 1 1 A 80 80 GLU CB C 80 29.445 29.276 0.169 1
1 969 . 18 1 1 A 80 80 GLU N N 80 115.384 116.460 -1.076 1
1 970 . 18 1 1 A 81 81 ILE H H 81 7.721 7.967 -0.246 1
1 971 . 18 1 1 A 81 81 ILE HA H 81 3.675 3.619 0.056 1
1 981 . 18 1 1 A 81 81 ILE C C 81 178.179 178.621 -0.442 1
1 982 . 18 1 1 A 81 81 ILE CA C 81 65.187 65.606 -0.419 1
1 983 . 18 1 1 A 81 81 ILE CB C 81 38.471 37.726 0.745 1
1 987 . 18 1 1 A 81 81 ILE N N 81 121.563 121.295 0.268 1
1 988 . 18 1 1 A 82 82 LEU H H 82 8.374 8.185 0.189 1
1 989 . 18 1 1 A 82 82 LEU HA H 82 3.930 3.909 0.021 1
1 999 . 18 1 1 A 82 82 LEU C C 82 179.279 179.240 0.039 1
1 1000 . 18 1 1 A 82 82 LEU CA C 82 58.038 57.640 0.398 1
1 1001 . 18 1 1 A 82 82 LEU CB C 82 42.869 41.358 1.511 1
1 1005 . 18 1 1 A 82 82 LEU N N 82 119.839 120.259 -0.420 1
1 1006 . 18 1 1 A 83 83 LYS H H 83 8.153 8.042 0.111 1
1 1007 . 18 1 1 A 83 83 LYS HA H 83 3.740 3.977 -0.237 1
1 1016 . 18 1 1 A 83 83 LYS C C 83 179.548 178.956 0.592 1
1 1017 . 18 1 1 A 83 83 LYS CA C 83 60.433 60.033 0.400 1
1 1018 . 18 1 1 A 83 83 LYS CB C 83 32.703 32.364 0.339 1
1 1022 . 18 1 1 A 83 83 LYS N N 83 117.092 118.818 -1.726 1
1 1023 . 18 1 1 A 84 84 LYS H H 84 7.705 7.934 -0.229 1
1 1024 . 18 1 1 A 84 84 LYS HA H 84 4.101 3.965 0.136 1
1 1033 . 18 1 1 A 84 84 LYS C C 84 179.082 178.177 0.905 1
1 1034 . 18 1 1 A 84 84 LYS CA C 84 59.120 59.310 -0.190 1
1 1035 . 18 1 1 A 84 84 LYS CB C 84 32.291 32.054 0.237 1
1 1039 . 18 1 1 A 84 84 LYS N N 84 121.473 119.814 1.659 1
1 1040 . 18 1 1 A 85 85 GLU H H 85 8.567 8.109 0.458 1
1 1041 . 18 1 1 A 85 85 GLU HA H 85 4.013 4.331 -0.318 1
1 1046 . 18 1 1 A 85 85 GLU CA C 85 59.360 57.984 1.376 1
1 1047 . 18 1 1 A 85 85 GLU CB C 85 30.033 30.493 -0.460 1
1 1049 . 18 1 1 A 85 85 GLU N N 85 119.645 118.093 1.552 1
1 1050 . 18 1 1 A 86 86 ARG H H 86 8.467 8.266 0.201 1
1 1051 . 18 1 1 A 86 86 ARG HA H 86 4.030 4.181 -0.151 1
1 1058 . 18 1 1 A 86 86 ARG C C 86 177.790 175.972 1.818 1
1 1059 . 18 1 1 A 86 86 ARG CA C 86 58.556 58.632 -0.076 1
1 1060 . 18 1 1 A 86 86 ARG CB C 86 30.377 30.221 0.156 1
1 1063 . 18 1 1 A 86 86 ARG N N 86 119.408 119.735 -0.327 1
1 1064 . 18 1 1 A 87 87 SER H H 87 7.851 7.744 0.107 1
1 1065 . 18 1 1 A 87 87 SER HA H 87 4.369 4.764 -0.395 1
1 1068 . 18 1 1 A 87 87 SER C C 87 175.282 172.697 2.585 1
1 1069 . 18 1 1 A 87 87 SER CA C 87 60.271 56.648 3.623 1
1 1070 . 18 1 1 A 87 87 SER CB C 87 63.601 65.191 -1.590 1
1 1071 . 18 1 1 A 87 87 SER N N 87 115.071 113.814 1.257 1
1 1072 . 18 1 1 A 88 88 GLU H H 88 7.891 8.378 -0.487 1
1 1073 . 18 1 1 A 88 88 GLU HA H 88 4.316 4.481 -0.165 1
1 1078 . 18 1 1 A 88 88 GLU C C 88 176.801 177.965 -1.164 1
1 1079 . 18 1 1 A 88 88 GLU CA C 88 57.036 57.192 -0.156 1
1 1080 . 18 1 1 A 88 88 GLU CB C 88 30.024 30.944 -0.920 1
1 1082 . 18 1 1 A 88 88 GLU N N 88 121.067 124.019 -2.952 1
1 1083 . 18 1 1 A 89 89 SER H H 89 7.934 8.037 -0.103 1
1 1084 . 18 1 1 A 89 89 SER HA H 89 4.503 4.270 0.233 1
1 1087 . 18 1 1 A 89 89 SER C C 89 174.624 174.710 -0.086 1
1 1088 . 18 1 1 A 89 89 SER CA C 89 58.875 60.491 -1.616 1
1 1089 . 18 1 1 A 89 89 SER CB C 89 64.040 63.819 0.221 1
1 1090 . 18 1 1 A 89 89 SER N N 89 115.241 115.297 -0.056 1
1 1091 . 18 1 1 A 90 90 GLY H H 90 8.062 7.879 0.183 1
1 1092 . 18 1 1 A 90 90 GLY HA2 H 90 4.210 4.059 0.151 1
1 1093 . 18 1 1 A 90 90 GLY HA3 H 90 4.083 4.059 0.024 1
1 1094 . 18 1 1 A 90 90 GLY C C 90 171.774 173.460 -1.686 1
1 1095 . 18 1 1 A 90 90 GLY CA C 90 44.872 44.851 0.021 1
1 1096 . 18 1 1 A 90 90 GLY N N 90 110.384 107.913 2.471 1
1 1097 . 18 1 1 A 91 91 PRO HA H 91 4.495 4.430 0.065 1
1 1104 . 18 1 1 A 91 91 PRO C C 91 177.475 176.339 1.136 1
1 1105 . 18 1 1 A 91 91 PRO CA C 91 63.295 64.470 -1.175 1
1 1106 . 18 1 1 A 91 91 PRO CB C 91 32.234 32.259 -0.025 1
1 1109 . 18 1 1 A 92 92 SER H H 92 8.557 7.747 0.810 1
1 1110 . 18 1 1 A 92 92 SER HA H 92 4.575 5.154 -0.579 1
1 1113 . 18 1 1 A 92 92 SER C C 92 174.736 171.999 2.737 1
1 1114 . 18 1 1 A 92 92 SER CA C 92 58.380 57.649 0.731 1
1 1115 . 18 1 1 A 92 92 SER CB C 92 64.221 68.332 -4.111 1
1 1 . 19 1 1 A 6 6 SER H H 6 8.063 8.957 -0.894 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.493 4.113 0.380 1
1 5 . 19 1 1 A 6 6 SER CA C 6 59.071 62.235 -3.164 1
1 6 . 19 1 1 A 6 6 SER CB C 6 63.626 62.920 0.706 1
1 7 . 19 1 1 A 7 7 GLY H H 7 8.424 8.123 0.301 1
1 8 . 19 1 1 A 7 7 GLY HA2 H 7 3.985 3.899 0.086 1
1 9 . 19 1 1 A 7 7 GLY HA3 H 7 3.834 3.900 -0.066 1
1 10 . 19 1 1 A 7 7 GLY CA C 7 47.092 46.990 0.102 1
1 11 . 19 1 1 A 7 7 GLY N N 7 109.548 108.844 0.704 1
1 12 . 19 1 1 A 8 8 ILE H H 8 7.565 8.115 -0.550 1
1 13 . 19 1 1 A 8 8 ILE HA H 8 3.883 4.198 -0.315 1
1 23 . 19 1 1 A 8 8 ILE CA C 8 63.805 61.179 2.626 1
1 24 . 19 1 1 A 8 8 ILE CB C 8 37.866 38.669 -0.803 1
1 28 . 19 1 1 A 8 8 ILE N N 8 123.348 121.071 2.277 1
1 29 . 19 1 1 A 9 9 VAL H H 9 7.538 8.415 -0.877 1
1 30 . 19 1 1 A 9 9 VAL HA H 9 3.471 4.827 -1.356 1
1 38 . 19 1 1 A 9 9 VAL CA C 9 66.382 59.669 6.713 1
1 39 . 19 1 1 A 9 9 VAL CB C 9 31.755 35.326 -3.571 1
1 42 . 19 1 1 A 9 9 VAL N N 9 121.471 125.564 -4.093 1
1 43 . 19 1 1 A 10 10 LEU H H 10 7.941 9.006 -1.065 1
1 44 . 19 1 1 A 10 10 LEU HA H 10 3.848 3.907 -0.059 1
1 54 . 19 1 1 A 10 10 LEU CA C 10 58.619 57.767 0.852 1
1 55 . 19 1 1 A 10 10 LEU CB C 10 41.377 41.431 -0.054 1
1 59 . 19 1 1 A 10 10 LEU N N 10 119.521 128.884 -9.363 1
1 60 . 19 1 1 A 11 11 LEU H H 11 8.207 8.309 -0.102 1
1 61 . 19 1 1 A 11 11 LEU HA H 11 3.792 4.025 -0.233 1
1 71 . 19 1 1 A 11 11 LEU CA C 11 58.241 58.307 -0.066 1
1 72 . 19 1 1 A 11 11 LEU CB C 11 41.790 41.764 0.026 1
1 76 . 19 1 1 A 11 11 LEU N N 11 119.938 120.208 -0.270 1
1 77 . 19 1 1 A 12 12 ARG H H 12 7.904 8.424 -0.520 1
1 78 . 19 1 1 A 12 12 ARG HA H 12 3.966 4.023 -0.057 1
1 85 . 19 1 1 A 12 12 ARG CA C 12 59.301 59.052 0.249 1
1 86 . 19 1 1 A 12 12 ARG CB C 12 30.132 29.972 0.160 1
1 89 . 19 1 1 A 12 12 ARG N N 12 116.799 118.622 -1.823 1
1 90 . 19 1 1 A 13 13 GLY H H 13 8.190 8.193 -0.003 1
1 91 . 19 1 1 A 13 13 GLY HA2 H 13 3.740 3.856 -0.116 1
1 92 . 19 1 1 A 13 13 GLY HA3 H 13 3.437 3.864 -0.427 1
1 93 . 19 1 1 A 13 13 GLY CA C 13 47.988 46.966 1.022 1
1 94 . 19 1 1 A 13 13 GLY N N 13 107.618 108.119 -0.501 1
1 95 . 19 1 1 A 14 14 LEU H H 14 8.515 7.720 0.795 1
1 96 . 19 1 1 A 14 14 LEU HA H 14 3.785 4.027 -0.242 1
1 106 . 19 1 1 A 14 14 LEU C C 14 178.232 178.754 -0.522 1
1 107 . 19 1 1 A 14 14 LEU CA C 14 57.401 57.707 -0.306 1
1 108 . 19 1 1 A 14 14 LEU CB C 14 41.981 41.958 0.023 1
1 112 . 19 1 1 A 14 14 LEU N N 14 120.161 122.757 -2.596 1
1 113 . 19 1 1 A 15 15 GLU H H 15 7.931 8.320 -0.389 1
1 114 . 19 1 1 A 15 15 GLU HA H 15 4.030 3.784 0.246 1
1 119 . 19 1 1 A 15 15 GLU CA C 15 57.961 59.548 -1.587 1
1 120 . 19 1 1 A 15 15 GLU CB C 15 30.140 29.146 0.994 1
1 122 . 19 1 1 A 15 15 GLU N N 15 114.703 117.225 -2.522 1
1 123 . 19 1 1 A 16 16 CYS H H 16 7.612 8.144 -0.532 1
1 124 . 19 1 1 A 16 16 CYS HA H 16 4.457 4.086 0.371 1
1 127 . 19 1 1 A 16 16 CYS CA C 16 60.982 62.495 -1.513 1
1 128 . 19 1 1 A 16 16 CYS CB C 16 27.917 26.988 0.929 1
1 129 . 19 1 1 A 16 16 CYS N N 16 114.695 119.097 -4.402 1
1 130 . 19 1 1 A 17 17 ILE H H 17 7.142 7.619 -0.477 1
1 131 . 19 1 1 A 17 17 ILE HA H 17 4.533 4.323 0.210 1
1 141 . 19 1 1 A 17 17 ILE CA C 17 61.521 60.989 0.532 1
1 142 . 19 1 1 A 17 17 ILE CB C 17 39.206 38.782 0.424 1
1 146 . 19 1 1 A 17 17 ILE N N 17 115.031 115.972 -0.941 1
1 147 . 19 1 1 A 18 18 ASN H H 18 8.325 8.777 -0.452 1
1 148 . 19 1 1 A 18 18 ASN HA H 18 4.575 4.780 -0.205 1
1 153 . 19 1 1 A 18 18 ASN C C 18 175.171 177.142 -1.971 1
1 154 . 19 1 1 A 18 18 ASN CA C 18 53.278 53.577 -0.299 1
1 155 . 19 1 1 A 18 18 ASN CB C 18 38.419 39.594 -1.175 1
1 156 . 19 1 1 A 18 18 ASN N N 18 119.943 122.723 -2.780 1
1 158 . 19 1 1 A 19 19 LYS H H 19 8.514 8.993 -0.479 1
1 159 . 19 1 1 A 19 19 LYS HA H 19 4.242 4.238 0.004 1
1 168 . 19 1 1 A 19 19 LYS C C 19 178.868 178.931 -0.063 1
1 169 . 19 1 1 A 19 19 LYS CA C 19 60.006 59.029 0.977 1
1 170 . 19 1 1 A 19 19 LYS CB C 19 32.291 32.120 0.171 1
1 174 . 19 1 1 A 19 19 LYS N N 19 118.191 123.053 -4.862 1
1 175 . 19 1 1 A 20 20 HIS H H 20 8.328 8.238 0.090 1
1 176 . 19 1 1 A 20 20 HIS HA H 20 4.371 4.344 0.027 1
1 181 . 19 1 1 A 20 20 HIS C C 20 178.335 176.565 1.770 1
1 182 . 19 1 1 A 20 20 HIS CA C 20 59.785 59.237 0.548 1
1 183 . 19 1 1 A 20 20 HIS CB C 20 29.879 30.571 -0.692 1
1 186 . 19 1 1 A 20 20 HIS N N 20 120.900 120.814 0.086 1
1 187 . 19 1 1 A 21 21 TYR H H 21 8.464 8.303 0.161 1
1 188 . 19 1 1 A 21 21 TYR HA H 21 4.540 4.071 0.469 1
1 195 . 19 1 1 A 21 21 TYR C C 21 178.222 178.608 -0.386 1
1 196 . 19 1 1 A 21 21 TYR CA C 21 61.863 61.631 0.232 1
1 197 . 19 1 1 A 21 21 TYR CB C 21 38.012 38.339 -0.327 1
1 202 . 19 1 1 A 21 21 TYR N N 21 118.132 117.268 0.864 1
1 203 . 19 1 1 A 22 22 PHE H H 22 9.095 8.324 0.771 1
1 204 . 19 1 1 A 22 22 PHE HA H 22 4.616 4.090 0.526 1
1 212 . 19 1 1 A 22 22 PHE C C 22 177.409 177.230 0.179 1
1 213 . 19 1 1 A 22 22 PHE CA C 22 59.761 61.773 -2.012 1
1 214 . 19 1 1 A 22 22 PHE CB C 22 38.982 39.344 -0.362 1
1 220 . 19 1 1 A 22 22 PHE N N 22 121.771 121.182 0.589 1
1 221 . 19 1 1 A 23 23 SER H H 23 8.400 7.995 0.405 1
1 222 . 19 1 1 A 23 23 SER HA H 23 3.785 3.839 -0.054 1
1 225 . 19 1 1 A 23 23 SER C C 23 177.318 177.324 -0.006 1
1 226 . 19 1 1 A 23 23 SER CA C 23 62.453 61.698 0.755 1
1 227 . 19 1 1 A 23 23 SER CB C 23 62.279 62.952 -0.673 1
1 228 . 19 1 1 A 23 23 SER N N 23 115.511 113.637 1.874 1
1 229 . 19 1 1 A 24 24 LEU H H 24 7.737 8.270 -0.533 1
1 230 . 19 1 1 A 24 24 LEU HA H 24 4.118 3.910 0.208 1
1 240 . 19 1 1 A 24 24 LEU C C 24 178.956 178.609 0.347 1
1 241 . 19 1 1 A 24 24 LEU CA C 24 57.992 57.791 0.201 1
1 242 . 19 1 1 A 24 24 LEU CB C 24 42.066 42.351 -0.285 1
1 246 . 19 1 1 A 24 24 LEU N N 24 123.378 121.914 1.464 1
1 247 . 19 1 1 A 25 25 PHE H H 25 8.643 7.516 1.127 1
1 248 . 19 1 1 A 25 25 PHE HA H 25 3.475 3.416 0.059 1
1 256 . 19 1 1 A 25 25 PHE C C 25 176.905 176.755 0.150 1
1 257 . 19 1 1 A 25 25 PHE CA C 25 61.196 61.423 -0.227 1
1 258 . 19 1 1 A 25 25 PHE CB C 25 38.741 38.665 0.076 1
1 264 . 19 1 1 A 25 25 PHE N N 25 122.640 118.399 4.241 1
1 265 . 19 1 1 A 26 26 LYS H H 26 8.022 7.655 0.367 1
1 266 . 19 1 1 A 26 26 LYS HA H 26 3.197 3.570 -0.373 1
1 275 . 19 1 1 A 26 26 LYS C C 26 177.424 179.257 -1.833 1
1 276 . 19 1 1 A 26 26 LYS CA C 26 61.439 59.540 1.899 1
1 277 . 19 1 1 A 26 26 LYS CB C 26 32.363 31.706 0.657 1
1 281 . 19 1 1 A 26 26 LYS N N 26 116.023 117.632 -1.609 1
1 282 . 19 1 1 A 27 27 SER H H 27 7.473 7.750 -0.277 1
1 283 . 19 1 1 A 27 27 SER HA H 27 4.134 4.194 -0.060 1
1 286 . 19 1 1 A 27 27 SER C C 27 177.449 176.621 0.828 1
1 287 . 19 1 1 A 27 27 SER CA C 27 61.544 60.835 0.709 1
1 288 . 19 1 1 A 27 27 SER CB C 27 62.828 63.072 -0.244 1
1 289 . 19 1 1 A 27 27 SER N N 27 111.668 114.850 -3.182 1
1 290 . 19 1 1 A 28 28 LEU H H 28 7.625 7.570 0.055 1
1 291 . 19 1 1 A 28 28 LEU HA H 28 4.117 4.039 0.078 1
1 301 . 19 1 1 A 28 28 LEU C C 28 179.076 179.015 0.061 1
1 302 . 19 1 1 A 28 28 LEU CA C 28 57.336 57.191 0.145 1
1 303 . 19 1 1 A 28 28 LEU CB C 28 41.585 41.710 -0.125 1
1 307 . 19 1 1 A 28 28 LEU N N 28 123.121 122.053 1.068 1
1 308 . 19 1 1 A 29 29 LEU H H 29 7.391 7.521 -0.130 1
1 309 . 19 1 1 A 29 29 LEU HA H 29 4.276 4.065 0.211 1
1 319 . 19 1 1 A 29 29 LEU C C 29 177.606 178.085 -0.479 1
1 320 . 19 1 1 A 29 29 LEU CA C 29 54.243 55.990 -1.747 1
1 321 . 19 1 1 A 29 29 LEU CB C 29 41.665 42.128 -0.463 1
1 325 . 19 1 1 A 29 29 LEU N N 29 119.910 119.427 0.483 1
1 326 . 19 1 1 A 30 30 ALA H H 30 7.242 8.490 -1.248 1
1 327 . 19 1 1 A 30 30 ALA HA H 30 3.505 3.908 -0.403 1
1 331 . 19 1 1 A 30 30 ALA C C 30 179.568 179.621 -0.053 1
1 332 . 19 1 1 A 30 30 ALA CA C 30 56.470 55.383 1.087 1
1 333 . 19 1 1 A 30 30 ALA CB C 30 18.818 18.630 0.188 1
1 334 . 19 1 1 A 30 30 ALA N N 30 122.470 121.709 0.761 1
1 335 . 19 1 1 A 31 31 ARG H H 31 8.256 7.998 0.258 1
1 336 . 19 1 1 A 31 31 ARG HA H 31 4.142 4.054 0.088 1
1 343 . 19 1 1 A 31 31 ARG C C 31 179.303 178.069 1.234 1
1 344 . 19 1 1 A 31 31 ARG CA C 31 58.917 58.824 0.093 1
1 345 . 19 1 1 A 31 31 ARG CB C 31 29.407 30.058 -0.651 1
1 348 . 19 1 1 A 31 31 ARG N N 31 116.240 117.110 -0.870 1
1 349 . 19 1 1 A 32 32 ASP H H 32 8.205 8.058 0.147 1
1 350 . 19 1 1 A 32 32 ASP HA H 32 4.334 4.357 -0.023 1
1 353 . 19 1 1 A 32 32 ASP C C 32 177.470 178.492 -1.022 1
1 354 . 19 1 1 A 32 32 ASP CA C 32 57.336 57.087 0.249 1
1 355 . 19 1 1 A 32 32 ASP CB C 32 41.582 40.781 0.801 1
1 356 . 19 1 1 A 32 32 ASP N N 32 120.398 120.420 -0.022 1
1 357 . 19 1 1 A 33 33 LEU H H 33 7.933 8.028 -0.095 1
1 358 . 19 1 1 A 33 33 LEU HA H 33 4.206 4.050 0.156 1
1 368 . 19 1 1 A 33 33 LEU C C 33 175.261 176.578 -1.317 1
1 369 . 19 1 1 A 33 33 LEU CA C 33 53.700 56.142 -2.442 1
1 370 . 19 1 1 A 33 33 LEU CB C 33 41.306 41.809 -0.503 1
1 374 . 19 1 1 A 33 33 LEU N N 33 113.338 118.258 -4.920 1
1 375 . 19 1 1 A 34 34 ASN H H 34 7.688 8.462 -0.774 1
1 376 . 19 1 1 A 34 34 ASN HA H 34 4.307 4.481 -0.174 1
1 381 . 19 1 1 A 34 34 ASN C C 34 175.092 174.178 0.914 1
1 382 . 19 1 1 A 34 34 ASN CA C 34 53.960 54.310 -0.350 1
1 383 . 19 1 1 A 34 34 ASN CB C 34 37.073 37.181 -0.108 1
1 384 . 19 1 1 A 34 34 ASN N N 34 116.912 117.391 -0.479 1
1 386 . 19 1 1 A 35 35 LEU H H 35 8.177 7.830 0.347 1
1 387 . 19 1 1 A 35 35 LEU HA H 35 4.008 4.334 -0.326 1
1 397 . 19 1 1 A 35 35 LEU C C 35 177.637 176.357 1.280 1
1 398 . 19 1 1 A 35 35 LEU CA C 35 54.233 54.757 -0.524 1
1 399 . 19 1 1 A 35 35 LEU CB C 35 41.024 42.326 -1.302 1
1 403 . 19 1 1 A 35 35 LEU N N 35 115.363 120.083 -4.720 1
1 404 . 19 1 1 A 36 36 GLU H H 36 8.419 9.094 -0.675 1
1 405 . 19 1 1 A 36 36 GLU HA H 36 4.175 4.583 -0.408 1
1 410 . 19 1 1 A 36 36 GLU C C 36 177.626 176.482 1.144 1
1 411 . 19 1 1 A 36 36 GLU CA C 36 56.872 55.221 1.651 1
1 412 . 19 1 1 A 36 36 GLU CB C 36 29.675 29.576 0.099 1
1 414 . 19 1 1 A 36 36 GLU N N 36 122.591 121.216 1.375 1
1 415 . 19 1 1 A 37 37 ARG H H 37 8.577 8.575 0.002 1
1 416 . 19 1 1 A 37 37 ARG HA H 37 3.889 4.037 -0.148 1
1 423 . 19 1 1 A 37 37 ARG C C 37 178.119 177.961 0.158 1
1 424 . 19 1 1 A 37 37 ARG CA C 37 58.924 59.303 -0.379 1
1 425 . 19 1 1 A 37 37 ARG CB C 37 30.074 29.871 0.203 1
1 428 . 19 1 1 A 37 37 ARG N N 37 124.790 126.589 -1.799 1
1 429 . 19 1 1 A 38 38 ASP H H 38 8.623 7.883 0.740 1
1 430 . 19 1 1 A 38 38 ASP HA H 38 4.591 4.563 0.028 1
1 433 . 19 1 1 A 38 38 ASP C C 38 176.021 177.611 -1.590 1
1 434 . 19 1 1 A 38 38 ASP CA C 38 55.073 56.329 -1.256 1
1 435 . 19 1 1 A 38 38 ASP CB C 38 40.722 41.291 -0.569 1
1 436 . 19 1 1 A 38 38 ASP N N 38 116.313 118.907 -2.594 1
1 437 . 19 1 1 A 39 39 ASN H H 39 7.668 8.135 -0.467 1
1 438 . 19 1 1 A 39 39 ASN HA H 39 4.936 4.794 0.142 1
1 443 . 19 1 1 A 39 39 ASN C C 39 175.702 175.825 -0.123 1
1 444 . 19 1 1 A 39 39 ASN CA C 39 52.626 51.873 0.753 1
1 445 . 19 1 1 A 39 39 ASN CB C 39 38.966 37.719 1.247 1
1 446 . 19 1 1 A 39 39 ASN N N 39 116.330 116.100 0.230 1
1 448 . 19 1 1 A 40 40 GLN H H 40 8.324 7.926 0.398 1
1 449 . 19 1 1 A 40 40 GLN HA H 40 4.285 4.459 -0.174 1
1 456 . 19 1 1 A 40 40 GLN C C 40 178.897 178.231 0.666 1
1 457 . 19 1 1 A 40 40 GLN CA C 40 58.513 57.270 1.243 1
1 458 . 19 1 1 A 40 40 GLN CB C 40 29.225 28.684 0.541 1
1 460 . 19 1 1 A 40 40 GLN N N 40 119.556 122.714 -3.158 1
1 462 . 19 1 1 A 41 41 GLU H H 41 8.956 8.124 0.832 1
1 463 . 19 1 1 A 41 41 GLU HA H 41 3.950 4.084 -0.134 1
1 468 . 19 1 1 A 41 41 GLU C C 41 176.712 178.415 -1.703 1
1 469 . 19 1 1 A 41 41 GLU CA C 41 58.716 59.413 -0.697 1
1 470 . 19 1 1 A 41 41 GLU CB C 41 29.124 29.212 -0.088 1
1 472 . 19 1 1 A 41 41 GLU N N 41 121.919 120.629 1.290 1
1 473 . 19 1 1 A 42 42 GLN H H 42 7.634 8.331 -0.697 1
1 474 . 19 1 1 A 42 42 GLN HA H 42 4.052 4.125 -0.073 1
1 481 . 19 1 1 A 42 42 GLN C C 42 176.286 176.158 0.128 1
1 482 . 19 1 1 A 42 42 GLN CA C 42 56.859 58.022 -1.163 1
1 483 . 19 1 1 A 42 42 GLN CB C 42 28.418 28.325 0.093 1
1 485 . 19 1 1 A 42 42 GLN N N 42 114.515 116.364 -1.849 1
1 487 . 19 1 1 A 43 43 TYR H H 43 6.692 7.703 -1.011 1
1 488 . 19 1 1 A 43 43 TYR HA H 43 4.866 4.648 0.218 1
1 495 . 19 1 1 A 43 43 TYR C C 43 177.063 175.485 1.578 1
1 496 . 19 1 1 A 43 43 TYR CA C 43 58.627 59.493 -0.866 1
1 497 . 19 1 1 A 43 43 TYR CB C 43 39.628 39.474 0.154 1
1 502 . 19 1 1 A 43 43 TYR N N 43 116.167 119.913 -3.746 1
1 503 . 19 1 1 A 44 44 THR H H 44 8.785 8.729 0.056 1
1 504 . 19 1 1 A 44 44 THR HA H 44 4.800 5.482 -0.682 1
1 509 . 19 1 1 A 44 44 THR C C 44 176.061 175.935 0.126 1
1 510 . 19 1 1 A 44 44 THR CA C 44 60.519 60.007 0.512 1
1 511 . 19 1 1 A 44 44 THR CB C 44 71.926 71.896 0.030 1
1 513 . 19 1 1 A 44 44 THR N N 44 116.779 112.971 3.808 1
1 514 . 19 1 1 A 45 45 THR H H 45 8.849 8.668 0.181 1
1 515 . 19 1 1 A 45 45 THR HA H 45 3.626 3.894 -0.268 1
1 520 . 19 1 1 A 45 45 THR C C 45 176.458 176.296 0.162 1
1 521 . 19 1 1 A 45 45 THR CA C 45 65.716 65.665 0.051 1
1 522 . 19 1 1 A 45 45 THR CB C 45 67.141 67.849 -0.708 1
1 524 . 19 1 1 A 45 45 THR N N 45 112.579 114.701 -2.122 1
1 525 . 19 1 1 A 46 46 ILE H H 46 7.144 7.777 -0.633 1
1 526 . 19 1 1 A 46 46 ILE HA H 46 3.803 3.708 0.095 1
1 536 . 19 1 1 A 46 46 ILE C C 46 177.573 177.851 -0.278 1
1 537 . 19 1 1 A 46 46 ILE CA C 46 64.078 65.257 -1.179 1
1 538 . 19 1 1 A 46 46 ILE CB C 46 38.733 37.622 1.111 1
1 542 . 19 1 1 A 46 46 ILE N N 46 119.409 123.151 -3.742 1
1 543 . 19 1 1 A 47 47 GLN H H 47 7.552 8.451 -0.899 1
1 544 . 19 1 1 A 47 47 GLN HA H 47 4.124 3.997 0.127 1
1 551 . 19 1 1 A 47 47 GLN C C 47 179.640 178.819 0.821 1
1 552 . 19 1 1 A 47 47 GLN CA C 47 59.282 58.812 0.470 1
1 553 . 19 1 1 A 47 47 GLN CB C 47 29.242 28.246 0.996 1
1 555 . 19 1 1 A 47 47 GLN N N 47 119.564 118.783 0.781 1
1 557 . 19 1 1 A 48 48 ILE H H 48 8.520 8.348 0.172 1
1 558 . 19 1 1 A 48 48 ILE HA H 48 3.861 3.758 0.103 1
1 568 . 19 1 1 A 48 48 ILE C C 48 177.779 178.157 -0.378 1
1 569 . 19 1 1 A 48 48 ILE CA C 48 61.208 65.569 -4.361 1
1 570 . 19 1 1 A 48 48 ILE CB C 48 34.654 37.920 -3.266 1
1 574 . 19 1 1 A 48 48 ILE N N 48 118.052 121.004 -2.952 1
1 575 . 19 1 1 A 49 49 ALA H H 49 8.826 8.008 0.818 1
1 576 . 19 1 1 A 49 49 ALA HA H 49 4.071 4.157 -0.086 1
1 580 . 19 1 1 A 49 49 ALA C C 49 179.849 180.298 -0.449 1
1 581 . 19 1 1 A 49 49 ALA CA C 49 55.909 55.574 0.335 1
1 582 . 19 1 1 A 49 49 ALA CB C 49 18.289 18.503 -0.214 1
1 583 . 19 1 1 A 49 49 ALA N N 49 123.182 122.501 0.681 1
1 584 . 19 1 1 A 50 50 ASN H H 50 8.319 8.288 0.031 1
1 585 . 19 1 1 A 50 50 ASN HA H 50 4.517 4.621 -0.104 1
1 590 . 19 1 1 A 50 50 ASN CA C 50 56.309 56.811 -0.502 1
1 591 . 19 1 1 A 50 50 ASN CB C 50 38.198 37.888 0.310 1
1 592 . 19 1 1 A 50 50 ASN N N 50 116.379 117.456 -1.077 1
1 594 . 19 1 1 A 51 51 MET H H 51 8.233 8.272 -0.039 1
1 595 . 19 1 1 A 51 51 MET HA H 51 4.132 4.115 0.017 1
1 603 . 19 1 1 A 51 51 MET CA C 51 59.312 58.609 0.703 1
1 604 . 19 1 1 A 51 51 MET CB C 51 34.763 32.297 2.466 1
1 607 . 19 1 1 A 51 51 MET N N 51 119.934 118.937 0.997 1
1 608 . 19 1 1 A 52 52 MET H H 52 8.926 8.388 0.538 1
1 609 . 19 1 1 A 52 52 MET HA H 52 3.874 4.328 -0.454 1
1 617 . 19 1 1 A 52 52 MET C C 52 177.228 178.823 -1.595 1
1 618 . 19 1 1 A 52 52 MET CA C 52 60.218 58.239 1.979 1
1 619 . 19 1 1 A 52 52 MET CB C 52 33.427 32.738 0.689 1
1 622 . 19 1 1 A 52 52 MET N N 52 120.686 119.005 1.681 1
1 623 . 19 1 1 A 53 53 GLU H H 53 8.111 8.303 -0.192 1
1 624 . 19 1 1 A 53 53 GLU HA H 53 3.863 4.035 -0.172 1
1 629 . 19 1 1 A 53 53 GLU C C 53 177.640 178.853 -1.213 1
1 630 . 19 1 1 A 53 53 GLU CA C 53 59.847 59.755 0.092 1
1 631 . 19 1 1 A 53 53 GLU CB C 53 29.778 29.460 0.318 1
1 633 . 19 1 1 A 53 53 GLU N N 53 119.207 118.454 0.753 1
1 634 . 19 1 1 A 54 54 GLU H H 54 7.030 7.822 -0.792 1
1 635 . 19 1 1 A 54 54 GLU HA H 54 4.014 4.090 -0.076 1
1 640 . 19 1 1 A 54 54 GLU C C 54 178.008 178.773 -0.765 1
1 641 . 19 1 1 A 54 54 GLU CA C 54 58.211 59.374 -1.163 1
1 642 . 19 1 1 A 54 54 GLU CB C 54 30.149 29.336 0.813 1
1 644 . 19 1 1 A 54 54 GLU N N 54 115.049 118.974 -3.925 1
1 645 . 19 1 1 A 55 55 LYS H H 55 7.670 7.798 -0.128 1
1 646 . 19 1 1 A 55 55 LYS HA H 55 3.930 3.855 0.075 1
1 655 . 19 1 1 A 55 55 LYS C C 55 175.986 176.392 -0.406 1
1 656 . 19 1 1 A 55 55 LYS CA C 55 56.405 58.682 -2.277 1
1 657 . 19 1 1 A 55 55 LYS CB C 55 32.705 32.020 0.685 1
1 661 . 19 1 1 A 55 55 LYS N N 55 117.040 119.912 -2.872 1
1 662 . 19 1 1 A 56 56 PHE H H 56 8.079 8.237 -0.158 1
1 663 . 19 1 1 A 56 56 PHE HA H 56 5.215 5.030 0.185 1
1 671 . 19 1 1 A 56 56 PHE CA C 56 53.965 54.969 -1.004 1
1 672 . 19 1 1 A 56 56 PHE CB C 56 38.759 39.195 -0.436 1
1 678 . 19 1 1 A 56 56 PHE N N 56 117.341 116.263 1.078 1
1 679 . 19 1 1 A 57 57 PRO HA H 57 4.514 4.548 -0.034 1
1 686 . 19 1 1 A 57 57 PRO CA C 57 64.818 64.202 0.616 1
1 687 . 19 1 1 A 57 57 PRO CB C 57 32.192 31.920 0.272 1
1 690 . 19 1 1 A 58 58 ALA H H 58 8.619 8.331 0.288 1
1 691 . 19 1 1 A 58 58 ALA HA H 58 4.206 4.121 0.085 1
1 695 . 19 1 1 A 58 58 ALA CA C 58 55.406 55.250 0.156 1
1 696 . 19 1 1 A 58 58 ALA CB C 58 18.353 18.921 -0.568 1
1 697 . 19 1 1 A 58 58 ALA N N 58 120.173 120.945 -0.772 1
1 698 . 19 1 1 A 59 59 ASP H H 59 7.515 7.909 -0.394 1
1 699 . 19 1 1 A 59 59 ASP HA H 59 4.810 4.770 0.040 1
1 702 . 19 1 1 A 59 59 ASP CA C 59 52.659 53.404 -0.745 1
1 703 . 19 1 1 A 59 59 ASP CB C 59 41.778 42.350 -0.572 1
1 704 . 19 1 1 A 59 59 ASP N N 59 113.536 115.342 -1.806 1
1 705 . 19 1 1 A 60 60 SER H H 60 8.392 8.674 -0.282 1
1 706 . 19 1 1 A 60 60 SER HA H 60 4.176 4.653 -0.477 1
1 709 . 19 1 1 A 60 60 SER CA C 60 60.221 59.602 0.619 1
1 710 . 19 1 1 A 60 60 SER CB C 60 62.050 61.653 0.397 1
1 711 . 19 1 1 A 60 60 SER N N 60 113.717 113.116 0.601 1
1 712 . 19 1 1 A 61 61 GLY H H 61 8.299 8.469 -0.170 1
1 713 . 19 1 1 A 61 61 GLY HA2 H 61 4.005 3.874 0.131 1
1 714 . 19 1 1 A 61 61 GLY HA3 H 61 3.502 4.034 -0.532 1
1 715 . 19 1 1 A 61 61 GLY CA C 61 45.554 45.572 -0.018 1
1 716 . 19 1 1 A 61 61 GLY N N 61 104.225 106.284 -2.059 1
1 717 . 19 1 1 A 62 62 LEU H H 62 7.927 7.749 0.178 1
1 718 . 19 1 1 A 62 62 LEU HA H 62 3.915 4.117 -0.202 1
1 728 . 19 1 1 A 62 62 LEU CA C 62 58.075 57.692 0.383 1
1 729 . 19 1 1 A 62 62 LEU CB C 62 41.731 41.860 -0.129 1
1 733 . 19 1 1 A 62 62 LEU N N 62 122.094 122.629 -0.535 1
1 734 . 19 1 1 A 63 63 GLY H H 63 8.566 8.304 0.262 1
1 735 . 19 1 1 A 63 63 GLY HA2 H 63 3.847 3.641 0.206 1
1 736 . 19 1 1 A 63 63 GLY HA3 H 63 3.592 3.653 -0.061 1
1 737 . 19 1 1 A 63 63 GLY CA C 63 47.146 47.198 -0.052 1
1 738 . 19 1 1 A 63 63 GLY N N 63 105.732 106.781 -1.049 1
1 739 . 19 1 1 A 64 64 LYS H H 64 7.509 8.141 -0.632 1
1 740 . 19 1 1 A 64 64 LYS HA H 64 4.115 4.016 0.099 1
1 749 . 19 1 1 A 64 64 LYS C C 64 179.856 178.980 0.876 1
1 750 . 19 1 1 A 64 64 LYS CA C 64 57.768 59.085 -1.317 1
1 751 . 19 1 1 A 64 64 LYS CB C 64 31.542 32.074 -0.532 1
1 755 . 19 1 1 A 64 64 LYS N N 64 120.697 121.773 -1.076 1
1 756 . 19 1 1 A 65 65 LEU H H 65 7.544 7.361 0.183 1
1 757 . 19 1 1 A 65 65 LEU HA H 65 4.219 3.741 0.478 1
1 767 . 19 1 1 A 65 65 LEU C C 65 178.606 178.340 0.266 1
1 768 . 19 1 1 A 65 65 LEU CA C 65 57.675 57.791 -0.116 1
1 769 . 19 1 1 A 65 65 LEU CB C 65 41.040 41.397 -0.357 1
1 773 . 19 1 1 A 65 65 LEU N N 65 120.399 120.553 -0.154 1
1 774 . 19 1 1 A 66 66 ILE H H 66 8.605 8.055 0.550 1
1 775 . 19 1 1 A 66 66 ILE HA H 66 3.271 3.510 -0.239 1
1 785 . 19 1 1 A 66 66 ILE C C 66 176.721 177.729 -1.008 1
1 786 . 19 1 1 A 66 66 ILE CA C 66 67.612 65.757 1.855 1
1 787 . 19 1 1 A 66 66 ILE CB C 66 38.006 37.805 0.201 1
1 791 . 19 1 1 A 66 66 ILE N N 66 121.170 120.281 0.889 1
1 792 . 19 1 1 A 67 67 GLU H H 67 8.157 8.085 0.072 1
1 793 . 19 1 1 A 67 67 GLU HA H 67 4.007 3.971 0.036 1
1 798 . 19 1 1 A 67 67 GLU C C 67 178.848 179.244 -0.396 1
1 799 . 19 1 1 A 67 67 GLU CA C 67 59.476 59.747 -0.271 1
1 800 . 19 1 1 A 67 67 GLU CB C 67 30.055 29.531 0.524 1
1 802 . 19 1 1 A 67 67 GLU N N 67 118.066 119.513 -1.447 1
1 803 . 19 1 1 A 68 68 PHE H H 68 7.673 7.985 -0.312 1
1 804 . 19 1 1 A 68 68 PHE HA H 68 4.393 4.183 0.210 1
1 812 . 19 1 1 A 68 68 PHE C C 68 176.609 177.665 -1.056 1
1 813 . 19 1 1 A 68 68 PHE CA C 68 60.660 61.500 -0.840 1
1 814 . 19 1 1 A 68 68 PHE CB C 68 39.666 39.438 0.228 1
1 820 . 19 1 1 A 68 68 PHE N N 68 119.383 121.359 -1.976 1
1 821 . 19 1 1 A 69 69 CYS H H 69 8.137 8.438 -0.301 1
1 822 . 19 1 1 A 69 69 CYS HA H 69 3.714 4.119 -0.405 1
1 825 . 19 1 1 A 69 69 CYS C C 69 175.221 177.083 -1.862 1
1 826 . 19 1 1 A 69 69 CYS CA C 69 62.782 62.338 0.444 1
1 827 . 19 1 1 A 69 69 CYS CB C 69 26.732 26.577 0.155 1
1 828 . 19 1 1 A 69 69 CYS N N 69 115.218 116.796 -1.578 1
1 829 . 19 1 1 A 70 70 GLU H H 70 8.108 7.888 0.220 1
1 830 . 19 1 1 A 70 70 GLU HA H 70 3.739 3.984 -0.245 1
1 835 . 19 1 1 A 70 70 GLU C C 70 178.404 178.808 -0.404 1
1 836 . 19 1 1 A 70 70 GLU CA C 70 58.839 59.325 -0.486 1
1 837 . 19 1 1 A 70 70 GLU CB C 70 30.149 29.357 0.792 1
1 839 . 19 1 1 A 70 70 GLU N N 70 113.937 120.571 -6.634 1
1 840 . 19 1 1 A 71 71 GLU H H 71 7.306 8.158 -0.852 1
1 841 . 19 1 1 A 71 71 GLU HA H 71 4.148 4.118 0.030 1
1 846 . 19 1 1 A 71 71 GLU C C 71 176.363 176.532 -0.169 1
1 847 . 19 1 1 A 71 71 GLU CA C 71 56.943 59.064 -2.121 1
1 848 . 19 1 1 A 71 71 GLU CB C 71 30.374 28.913 1.461 1
1 850 . 19 1 1 A 71 71 GLU N N 71 117.591 117.994 -0.403 1
1 851 . 19 1 1 A 72 72 VAL H H 72 7.055 7.645 -0.590 1
1 852 . 19 1 1 A 72 72 VAL HA H 72 4.220 4.174 0.046 1
1 860 . 19 1 1 A 72 72 VAL C C 72 174.906 175.642 -0.736 1
1 861 . 19 1 1 A 72 72 VAL CA C 72 59.360 58.622 0.738 1
1 862 . 19 1 1 A 72 72 VAL CB C 72 33.462 32.202 1.260 1
1 865 . 19 1 1 A 72 72 VAL N N 72 122.531 120.478 2.053 1
1 866 . 19 1 1 A 73 73 PRO HA H 73 3.887 4.380 -0.493 1
1 873 . 19 1 1 A 73 73 PRO C C 73 179.162 177.447 1.715 1
1 874 . 19 1 1 A 73 73 PRO CA C 73 66.658 64.739 1.919 1
1 875 . 19 1 1 A 73 73 PRO CB C 73 31.819 31.914 -0.095 1
1 878 . 19 1 1 A 74 74 ALA H H 74 8.188 8.110 0.078 1
1 879 . 19 1 1 A 74 74 ALA HA H 74 4.217 4.214 0.003 1
1 883 . 19 1 1 A 74 74 ALA C C 74 178.535 177.927 0.608 1
1 884 . 19 1 1 A 74 74 ALA CA C 74 54.149 53.804 0.345 1
1 885 . 19 1 1 A 74 74 ALA CB C 74 19.305 18.464 0.841 1
1 886 . 19 1 1 A 74 74 ALA N N 74 116.317 119.643 -3.326 1
1 887 . 19 1 1 A 75 75 LEU H H 75 8.188 7.170 1.018 1
1 888 . 19 1 1 A 75 75 LEU HA H 75 4.607 4.308 0.299 1
1 898 . 19 1 1 A 75 75 LEU C C 75 177.094 177.982 -0.888 1
1 899 . 19 1 1 A 75 75 LEU CA C 75 53.645 54.431 -0.786 1
1 900 . 19 1 1 A 75 75 LEU CB C 75 42.633 42.297 0.336 1
1 904 . 19 1 1 A 75 75 LEU N N 75 116.296 115.213 1.083 1
1 905 . 19 1 1 A 76 76 ARG H H 76 7.332 7.620 -0.288 1
1 906 . 19 1 1 A 76 76 ARG HA H 76 3.789 4.131 -0.342 1
1 913 . 19 1 1 A 76 76 ARG C C 76 179.457 178.753 0.704 1
1 914 . 19 1 1 A 76 76 ARG CA C 76 60.815 58.579 2.236 1
1 915 . 19 1 1 A 76 76 ARG CB C 76 29.535 29.802 -0.267 1
1 918 . 19 1 1 A 76 76 ARG N N 76 122.654 119.612 3.042 1
1 919 . 19 1 1 A 77 77 LYS H H 77 8.489 7.761 0.728 1
1 920 . 19 1 1 A 77 77 LYS HA H 77 4.118 4.019 0.099 1
1 929 . 19 1 1 A 77 77 LYS C C 77 179.135 178.963 0.172 1
1 930 . 19 1 1 A 77 77 LYS CA C 77 58.963 58.960 0.003 1
1 931 . 19 1 1 A 77 77 LYS CB C 77 31.113 31.677 -0.564 1
1 935 . 19 1 1 A 77 77 LYS N N 77 119.343 120.539 -1.196 1
1 936 . 19 1 1 A 78 78 ARG H H 78 7.626 7.913 -0.287 1
1 937 . 19 1 1 A 78 78 ARG HA H 78 3.931 4.163 -0.232 1
1 944 . 19 1 1 A 78 78 ARG C C 78 178.200 178.919 -0.719 1
1 945 . 19 1 1 A 78 78 ARG CA C 78 56.415 58.461 -2.046 1
1 946 . 19 1 1 A 78 78 ARG CB C 78 27.010 30.953 -3.943 1
1 949 . 19 1 1 A 78 78 ARG N N 78 120.202 119.564 0.638 1
1 950 . 19 1 1 A 79 79 ALA H H 79 8.138 7.981 0.157 1
1 951 . 19 1 1 A 79 79 ALA HA H 79 3.837 4.076 -0.239 1
1 955 . 19 1 1 A 79 79 ALA C C 79 178.684 179.739 -1.055 1
1 956 . 19 1 1 A 79 79 ALA CA C 79 55.692 54.960 0.732 1
1 957 . 19 1 1 A 79 79 ALA CB C 79 18.376 18.593 -0.217 1
1 958 . 19 1 1 A 79 79 ALA N N 79 120.388 122.302 -1.914 1
1 959 . 19 1 1 A 80 80 GLU H H 80 7.437 7.771 -0.334 1
1 960 . 19 1 1 A 80 80 GLU HA H 80 3.877 4.063 -0.186 1
1 965 . 19 1 1 A 80 80 GLU C C 80 179.640 178.699 0.941 1
1 966 . 19 1 1 A 80 80 GLU CA C 80 59.370 59.024 0.346 1
1 967 . 19 1 1 A 80 80 GLU CB C 80 29.445 28.858 0.587 1
1 969 . 19 1 1 A 80 80 GLU N N 80 115.384 115.969 -0.585 1
1 970 . 19 1 1 A 81 81 ILE H H 81 7.721 7.933 -0.212 1
1 971 . 19 1 1 A 81 81 ILE HA H 81 3.675 3.691 -0.016 1
1 981 . 19 1 1 A 81 81 ILE C C 81 178.179 178.610 -0.431 1
1 982 . 19 1 1 A 81 81 ILE CA C 81 65.187 64.867 0.320 1
1 983 . 19 1 1 A 81 81 ILE CB C 81 38.471 38.019 0.452 1
1 987 . 19 1 1 A 81 81 ILE N N 81 121.563 121.385 0.178 1
1 988 . 19 1 1 A 82 82 LEU H H 82 8.374 8.328 0.046 1
1 989 . 19 1 1 A 82 82 LEU HA H 82 3.930 3.962 -0.032 1
1 999 . 19 1 1 A 82 82 LEU C C 82 179.279 178.800 0.479 1
1 1000 . 19 1 1 A 82 82 LEU CA C 82 58.038 57.989 0.049 1
1 1001 . 19 1 1 A 82 82 LEU CB C 82 42.869 41.288 1.581 1
1 1005 . 19 1 1 A 82 82 LEU N N 82 119.839 119.558 0.281 1
1 1006 . 19 1 1 A 83 83 LYS H H 83 8.153 8.504 -0.351 1
1 1007 . 19 1 1 A 83 83 LYS HA H 83 3.740 3.896 -0.156 1
1 1016 . 19 1 1 A 83 83 LYS C C 83 179.548 178.576 0.972 1
1 1017 . 19 1 1 A 83 83 LYS CA C 83 60.433 59.995 0.438 1
1 1018 . 19 1 1 A 83 83 LYS CB C 83 32.703 32.316 0.387 1
1 1022 . 19 1 1 A 83 83 LYS N N 83 117.092 117.228 -0.136 1
1 1023 . 19 1 1 A 84 84 LYS H H 84 7.705 7.761 -0.056 1
1 1024 . 19 1 1 A 84 84 LYS HA H 84 4.101 3.932 0.169 1
1 1033 . 19 1 1 A 84 84 LYS C C 84 179.082 178.742 0.340 1
1 1034 . 19 1 1 A 84 84 LYS CA C 84 59.120 60.136 -1.016 1
1 1035 . 19 1 1 A 84 84 LYS CB C 84 32.291 32.437 -0.146 1
1 1039 . 19 1 1 A 84 84 LYS N N 84 121.473 119.441 2.032 1
1 1040 . 19 1 1 A 85 85 GLU H H 85 8.567 8.053 0.514 1
1 1041 . 19 1 1 A 85 85 GLU HA H 85 4.013 3.991 0.022 1
1 1046 . 19 1 1 A 85 85 GLU CA C 85 59.360 59.541 -0.181 1
1 1047 . 19 1 1 A 85 85 GLU CB C 85 30.033 29.248 0.785 1
1 1049 . 19 1 1 A 85 85 GLU N N 85 119.645 117.804 1.841 1
1 1050 . 19 1 1 A 86 86 ARG H H 86 8.467 8.153 0.314 1
1 1051 . 19 1 1 A 86 86 ARG HA H 86 4.030 4.073 -0.043 1
1 1058 . 19 1 1 A 86 86 ARG C C 86 177.790 175.969 1.821 1
1 1059 . 19 1 1 A 86 86 ARG CA C 86 58.556 59.129 -0.573 1
1 1060 . 19 1 1 A 86 86 ARG CB C 86 30.377 30.096 0.281 1
1 1063 . 19 1 1 A 86 86 ARG N N 86 119.408 120.831 -1.423 1
1 1064 . 19 1 1 A 87 87 SER H H 87 7.851 7.625 0.226 1
1 1065 . 19 1 1 A 87 87 SER HA H 87 4.369 4.405 -0.036 1
1 1068 . 19 1 1 A 87 87 SER C C 87 175.282 174.641 0.641 1
1 1069 . 19 1 1 A 87 87 SER CA C 87 60.271 58.023 2.248 1
1 1070 . 19 1 1 A 87 87 SER CB C 87 63.601 63.774 -0.173 1
1 1071 . 19 1 1 A 87 87 SER N N 87 115.071 110.630 4.441 1
1 1072 . 19 1 1 A 88 88 GLU H H 88 7.891 8.645 -0.754 1
1 1073 . 19 1 1 A 88 88 GLU HA H 88 4.316 4.530 -0.214 1
1 1078 . 19 1 1 A 88 88 GLU C C 88 176.801 177.326 -0.525 1
1 1079 . 19 1 1 A 88 88 GLU CA C 88 57.036 56.910 0.126 1
1 1080 . 19 1 1 A 88 88 GLU CB C 88 30.024 31.417 -1.393 1
1 1082 . 19 1 1 A 88 88 GLU N N 88 121.067 120.749 0.318 1
1 1083 . 19 1 1 A 89 89 SER H H 89 7.934 8.087 -0.153 1
1 1084 . 19 1 1 A 89 89 SER HA H 89 4.503 4.575 -0.072 1
1 1087 . 19 1 1 A 89 89 SER C C 89 174.624 174.578 0.046 1
1 1088 . 19 1 1 A 89 89 SER CA C 89 58.875 58.764 0.111 1
1 1089 . 19 1 1 A 89 89 SER CB C 89 64.040 64.168 -0.128 1
1 1090 . 19 1 1 A 89 89 SER N N 89 115.241 113.663 1.578 1
1 1091 . 19 1 1 A 90 90 GLY H H 90 8.062 7.907 0.155 1
1 1092 . 19 1 1 A 90 90 GLY HA2 H 90 4.210 4.074 0.136 1
1 1093 . 19 1 1 A 90 90 GLY HA3 H 90 4.083 4.074 0.009 1
1 1094 . 19 1 1 A 90 90 GLY C C 90 171.774 173.463 -1.689 1
1 1095 . 19 1 1 A 90 90 GLY CA C 90 44.872 43.765 1.107 1
1 1096 . 19 1 1 A 90 90 GLY N N 90 110.384 108.848 1.536 1
1 1097 . 19 1 1 A 91 91 PRO HA H 91 4.495 4.723 -0.228 1
1 1104 . 19 1 1 A 91 91 PRO C C 91 177.475 175.119 2.356 1
1 1105 . 19 1 1 A 91 91 PRO CA C 91 63.295 62.759 0.536 1
1 1106 . 19 1 1 A 91 91 PRO CB C 91 32.234 31.870 0.364 1
1 1109 . 19 1 1 A 92 92 SER H H 92 8.557 8.689 -0.132 1
1 1110 . 19 1 1 A 92 92 SER HA H 92 4.575 5.210 -0.635 1
1 1113 . 19 1 1 A 92 92 SER C C 92 174.736 172.893 1.843 1
1 1114 . 19 1 1 A 92 92 SER CA C 92 58.380 56.646 1.734 1
1 1115 . 19 1 1 A 92 92 SER CB C 92 64.221 65.972 -1.751 1
1 1 . 20 1 1 A 6 6 SER H H 6 8.063 8.655 -0.592 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.493 4.801 -0.308 1
1 5 . 20 1 1 A 6 6 SER CA C 6 59.071 56.742 2.329 1
1 6 . 20 1 1 A 6 6 SER CB C 6 63.626 62.603 1.023 1
1 7 . 20 1 1 A 7 7 GLY H H 7 8.424 8.103 0.321 1
1 8 . 20 1 1 A 7 7 GLY HA2 H 7 3.985 3.918 0.067 1
1 9 . 20 1 1 A 7 7 GLY HA3 H 7 3.834 3.918 -0.084 1
1 10 . 20 1 1 A 7 7 GLY CA C 7 47.092 46.705 0.387 1
1 11 . 20 1 1 A 7 7 GLY N N 7 109.548 110.098 -0.550 1
1 12 . 20 1 1 A 8 8 ILE H H 8 7.565 8.270 -0.705 1
1 13 . 20 1 1 A 8 8 ILE HA H 8 3.883 4.743 -0.860 1
1 23 . 20 1 1 A 8 8 ILE CA C 8 63.805 59.969 3.836 1
1 24 . 20 1 1 A 8 8 ILE CB C 8 37.866 41.821 -3.955 1
1 28 . 20 1 1 A 8 8 ILE N N 8 123.348 125.981 -2.633 1
1 29 . 20 1 1 A 9 9 VAL H H 9 7.538 8.667 -1.129 1
1 30 . 20 1 1 A 9 9 VAL HA H 9 3.471 4.847 -1.376 1
1 38 . 20 1 1 A 9 9 VAL CA C 9 66.382 59.737 6.645 1
1 39 . 20 1 1 A 9 9 VAL CB C 9 31.755 35.020 -3.265 1
1 42 . 20 1 1 A 9 9 VAL N N 9 121.471 125.510 -4.039 1
1 43 . 20 1 1 A 10 10 LEU H H 10 7.941 8.800 -0.859 1
1 44 . 20 1 1 A 10 10 LEU HA H 10 3.848 4.036 -0.188 1
1 54 . 20 1 1 A 10 10 LEU CA C 10 58.619 57.780 0.839 1
1 55 . 20 1 1 A 10 10 LEU CB C 10 41.377 42.040 -0.663 1
1 59 . 20 1 1 A 10 10 LEU N N 10 119.521 129.259 -9.738 1
1 60 . 20 1 1 A 11 11 LEU H H 11 8.207 7.924 0.283 1
1 61 . 20 1 1 A 11 11 LEU HA H 11 3.792 4.132 -0.340 1
1 71 . 20 1 1 A 11 11 LEU CA C 11 58.241 57.692 0.549 1
1 72 . 20 1 1 A 11 11 LEU CB C 11 41.790 41.883 -0.093 1
1 76 . 20 1 1 A 11 11 LEU N N 11 119.938 119.659 0.279 1
1 77 . 20 1 1 A 12 12 ARG H H 12 7.904 8.541 -0.637 1
1 78 . 20 1 1 A 12 12 ARG HA H 12 3.966 4.019 -0.053 1
1 85 . 20 1 1 A 12 12 ARG CA C 12 59.301 59.004 0.297 1
1 86 . 20 1 1 A 12 12 ARG CB C 12 30.132 29.957 0.175 1
1 89 . 20 1 1 A 12 12 ARG N N 12 116.799 119.246 -2.447 1
1 90 . 20 1 1 A 13 13 GLY H H 13 8.190 7.850 0.340 1
1 91 . 20 1 1 A 13 13 GLY HA2 H 13 3.740 3.847 -0.107 1
1 92 . 20 1 1 A 13 13 GLY HA3 H 13 3.437 3.860 -0.423 1
1 93 . 20 1 1 A 13 13 GLY CA C 13 47.988 46.607 1.381 1
1 94 . 20 1 1 A 13 13 GLY N N 13 107.618 108.008 -0.390 1
1 95 . 20 1 1 A 14 14 LEU H H 14 8.515 7.762 0.753 1
1 96 . 20 1 1 A 14 14 LEU HA H 14 3.785 4.058 -0.273 1
1 106 . 20 1 1 A 14 14 LEU C C 14 178.232 178.606 -0.374 1
1 107 . 20 1 1 A 14 14 LEU CA C 14 57.401 57.820 -0.419 1
1 108 . 20 1 1 A 14 14 LEU CB C 14 41.981 42.059 -0.078 1
1 112 . 20 1 1 A 14 14 LEU N N 14 120.161 121.949 -1.788 1
1 113 . 20 1 1 A 15 15 GLU H H 15 7.931 8.264 -0.333 1
1 114 . 20 1 1 A 15 15 GLU HA H 15 4.030 3.746 0.284 1
1 119 . 20 1 1 A 15 15 GLU CA C 15 57.961 59.318 -1.357 1
1 120 . 20 1 1 A 15 15 GLU CB C 15 30.140 29.414 0.726 1
1 122 . 20 1 1 A 15 15 GLU N N 15 114.703 117.513 -2.810 1
1 123 . 20 1 1 A 16 16 CYS H H 16 7.612 8.403 -0.791 1
1 124 . 20 1 1 A 16 16 CYS HA H 16 4.457 4.125 0.332 1
1 127 . 20 1 1 A 16 16 CYS CA C 16 60.982 62.665 -1.683 1
1 128 . 20 1 1 A 16 16 CYS CB C 16 27.917 27.376 0.541 1
1 129 . 20 1 1 A 16 16 CYS N N 16 114.695 119.337 -4.642 1
1 130 . 20 1 1 A 17 17 ILE H H 17 7.142 7.652 -0.510 1
1 131 . 20 1 1 A 17 17 ILE HA H 17 4.533 4.329 0.204 1
1 141 . 20 1 1 A 17 17 ILE CA C 17 61.521 61.192 0.329 1
1 142 . 20 1 1 A 17 17 ILE CB C 17 39.206 38.766 0.440 1
1 146 . 20 1 1 A 17 17 ILE N N 17 115.031 116.741 -1.710 1
1 147 . 20 1 1 A 18 18 ASN H H 18 8.325 8.831 -0.506 1
1 148 . 20 1 1 A 18 18 ASN HA H 18 4.575 4.747 -0.172 1
1 153 . 20 1 1 A 18 18 ASN C C 18 175.171 177.145 -1.974 1
1 154 . 20 1 1 A 18 18 ASN CA C 18 53.278 53.874 -0.596 1
1 155 . 20 1 1 A 18 18 ASN CB C 18 38.419 38.923 -0.504 1
1 156 . 20 1 1 A 18 18 ASN N N 18 119.943 122.798 -2.855 1
1 158 . 20 1 1 A 19 19 LYS H H 19 8.514 8.762 -0.248 1
1 159 . 20 1 1 A 19 19 LYS HA H 19 4.242 4.190 0.052 1
1 168 . 20 1 1 A 19 19 LYS C C 19 178.868 178.929 -0.061 1
1 169 . 20 1 1 A 19 19 LYS CA C 19 60.006 59.628 0.378 1
1 170 . 20 1 1 A 19 19 LYS CB C 19 32.291 32.286 0.005 1
1 174 . 20 1 1 A 19 19 LYS N N 19 118.191 123.307 -5.116 1
1 175 . 20 1 1 A 20 20 HIS H H 20 8.328 8.054 0.274 1
1 176 . 20 1 1 A 20 20 HIS HA H 20 4.371 4.305 0.066 1
1 181 . 20 1 1 A 20 20 HIS C C 20 178.335 176.765 1.570 1
1 182 . 20 1 1 A 20 20 HIS CA C 20 59.785 59.137 0.648 1
1 183 . 20 1 1 A 20 20 HIS CB C 20 29.879 29.780 0.099 1
1 186 . 20 1 1 A 20 20 HIS N N 20 120.900 119.598 1.302 1
1 187 . 20 1 1 A 21 21 TYR H H 21 8.464 8.248 0.216 1
1 188 . 20 1 1 A 21 21 TYR HA H 21 4.540 4.210 0.330 1
1 195 . 20 1 1 A 21 21 TYR C C 21 178.222 178.474 -0.252 1
1 196 . 20 1 1 A 21 21 TYR CA C 21 61.863 61.779 0.084 1
1 197 . 20 1 1 A 21 21 TYR CB C 21 38.012 38.322 -0.310 1
1 202 . 20 1 1 A 21 21 TYR N N 21 118.132 117.452 0.680 1
1 203 . 20 1 1 A 22 22 PHE H H 22 9.095 8.250 0.845 1
1 204 . 20 1 1 A 22 22 PHE HA H 22 4.616 4.095 0.521 1
1 212 . 20 1 1 A 22 22 PHE C C 22 177.409 177.156 0.253 1
1 213 . 20 1 1 A 22 22 PHE CA C 22 59.761 61.761 -2.000 1
1 214 . 20 1 1 A 22 22 PHE CB C 22 38.982 39.238 -0.256 1
1 220 . 20 1 1 A 22 22 PHE N N 22 121.771 120.931 0.840 1
1 221 . 20 1 1 A 23 23 SER H H 23 8.400 8.225 0.175 1
1 222 . 20 1 1 A 23 23 SER HA H 23 3.785 3.714 0.071 1
1 225 . 20 1 1 A 23 23 SER C C 23 177.318 177.311 0.007 1
1 226 . 20 1 1 A 23 23 SER CA C 23 62.453 61.594 0.859 1
1 227 . 20 1 1 A 23 23 SER CB C 23 62.279 62.885 -0.606 1
1 228 . 20 1 1 A 23 23 SER N N 23 115.511 113.944 1.567 1
1 229 . 20 1 1 A 24 24 LEU H H 24 7.737 8.148 -0.411 1
1 230 . 20 1 1 A 24 24 LEU HA H 24 4.118 3.889 0.229 1
1 240 . 20 1 1 A 24 24 LEU C C 24 178.956 178.700 0.256 1
1 241 . 20 1 1 A 24 24 LEU CA C 24 57.992 57.749 0.243 1
1 242 . 20 1 1 A 24 24 LEU CB C 24 42.066 41.987 0.079 1
1 246 . 20 1 1 A 24 24 LEU N N 24 123.378 121.955 1.423 1
1 247 . 20 1 1 A 25 25 PHE H H 25 8.643 7.788 0.855 1
1 248 . 20 1 1 A 25 25 PHE HA H 25 3.475 3.471 0.004 1
1 256 . 20 1 1 A 25 25 PHE C C 25 176.905 176.849 0.056 1
1 257 . 20 1 1 A 25 25 PHE CA C 25 61.196 61.529 -0.333 1
1 258 . 20 1 1 A 25 25 PHE CB C 25 38.741 38.778 -0.037 1
1 264 . 20 1 1 A 25 25 PHE N N 25 122.640 118.293 4.347 1
1 265 . 20 1 1 A 26 26 LYS H H 26 8.022 7.689 0.333 1
1 266 . 20 1 1 A 26 26 LYS HA H 26 3.197 3.595 -0.398 1
1 275 . 20 1 1 A 26 26 LYS C C 26 177.424 178.731 -1.307 1
1 276 . 20 1 1 A 26 26 LYS CA C 26 61.439 59.818 1.621 1
1 277 . 20 1 1 A 26 26 LYS CB C 26 32.363 31.819 0.544 1
1 281 . 20 1 1 A 26 26 LYS N N 26 116.023 117.728 -1.705 1
1 282 . 20 1 1 A 27 27 SER H H 27 7.473 7.822 -0.349 1
1 283 . 20 1 1 A 27 27 SER HA H 27 4.134 4.050 0.084 1
1 286 . 20 1 1 A 27 27 SER C C 27 177.449 176.319 1.130 1
1 287 . 20 1 1 A 27 27 SER CA C 27 61.544 62.434 -0.890 1
1 288 . 20 1 1 A 27 27 SER CB C 27 62.828 62.936 -0.108 1
1 289 . 20 1 1 A 27 27 SER N N 27 111.668 116.587 -4.919 1
1 290 . 20 1 1 A 28 28 LEU H H 28 7.625 8.091 -0.466 1
1 291 . 20 1 1 A 28 28 LEU HA H 28 4.117 3.990 0.127 1
1 301 . 20 1 1 A 28 28 LEU C C 28 179.076 179.167 -0.091 1
1 302 . 20 1 1 A 28 28 LEU CA C 28 57.336 57.519 -0.183 1
1 303 . 20 1 1 A 28 28 LEU CB C 28 41.585 41.435 0.150 1
1 307 . 20 1 1 A 28 28 LEU N N 28 123.121 120.592 2.529 1
1 308 . 20 1 1 A 29 29 LEU H H 29 7.391 7.542 -0.151 1
1 309 . 20 1 1 A 29 29 LEU HA H 29 4.276 4.042 0.234 1
1 319 . 20 1 1 A 29 29 LEU C C 29 177.606 178.185 -0.579 1
1 320 . 20 1 1 A 29 29 LEU CA C 29 54.243 56.286 -2.043 1
1 321 . 20 1 1 A 29 29 LEU CB C 29 41.665 41.973 -0.308 1
1 325 . 20 1 1 A 29 29 LEU N N 29 119.910 119.171 0.739 1
1 326 . 20 1 1 A 30 30 ALA H H 30 7.242 8.467 -1.225 1
1 327 . 20 1 1 A 30 30 ALA HA H 30 3.505 3.902 -0.397 1
1 331 . 20 1 1 A 30 30 ALA C C 30 179.568 179.548 0.020 1
1 332 . 20 1 1 A 30 30 ALA CA C 30 56.470 55.364 1.106 1
1 333 . 20 1 1 A 30 30 ALA CB C 30 18.818 18.625 0.193 1
1 334 . 20 1 1 A 30 30 ALA N N 30 122.470 121.670 0.800 1
1 335 . 20 1 1 A 31 31 ARG H H 31 8.256 7.999 0.257 1
1 336 . 20 1 1 A 31 31 ARG HA H 31 4.142 4.050 0.092 1
1 343 . 20 1 1 A 31 31 ARG C C 31 179.303 178.053 1.250 1
1 344 . 20 1 1 A 31 31 ARG CA C 31 58.917 58.843 0.074 1
1 345 . 20 1 1 A 31 31 ARG CB C 31 29.407 30.016 -0.609 1
1 348 . 20 1 1 A 31 31 ARG N N 31 116.240 117.098 -0.858 1
1 349 . 20 1 1 A 32 32 ASP H H 32 8.205 8.078 0.127 1
1 350 . 20 1 1 A 32 32 ASP HA H 32 4.334 4.365 -0.031 1
1 353 . 20 1 1 A 32 32 ASP C C 32 177.470 178.458 -0.988 1
1 354 . 20 1 1 A 32 32 ASP CA C 32 57.336 57.109 0.227 1
1 355 . 20 1 1 A 32 32 ASP CB C 32 41.582 40.779 0.803 1
1 356 . 20 1 1 A 32 32 ASP N N 32 120.398 120.332 0.066 1
1 357 . 20 1 1 A 33 33 LEU H H 33 7.933 8.006 -0.073 1
1 358 . 20 1 1 A 33 33 LEU HA H 33 4.206 4.166 0.040 1
1 368 . 20 1 1 A 33 33 LEU C C 33 175.261 176.469 -1.208 1
1 369 . 20 1 1 A 33 33 LEU CA C 33 53.700 55.919 -2.219 1
1 370 . 20 1 1 A 33 33 LEU CB C 33 41.306 41.739 -0.433 1
1 374 . 20 1 1 A 33 33 LEU N N 33 113.338 118.251 -4.913 1
1 375 . 20 1 1 A 34 34 ASN H H 34 7.688 8.001 -0.313 1
1 376 . 20 1 1 A 34 34 ASN HA H 34 4.307 4.502 -0.195 1
1 381 . 20 1 1 A 34 34 ASN C C 34 175.092 174.530 0.562 1
1 382 . 20 1 1 A 34 34 ASN CA C 34 53.960 54.241 -0.281 1
1 383 . 20 1 1 A 34 34 ASN CB C 34 37.073 36.899 0.174 1
1 384 . 20 1 1 A 34 34 ASN N N 34 116.912 115.564 1.348 1
1 386 . 20 1 1 A 35 35 LEU H H 35 8.177 7.784 0.393 1
1 387 . 20 1 1 A 35 35 LEU HA H 35 4.008 4.208 -0.200 1
1 397 . 20 1 1 A 35 35 LEU C C 35 177.637 176.544 1.093 1
1 398 . 20 1 1 A 35 35 LEU CA C 35 54.233 54.567 -0.334 1
1 399 . 20 1 1 A 35 35 LEU CB C 35 41.024 42.158 -1.134 1
1 403 . 20 1 1 A 35 35 LEU N N 35 115.363 118.815 -3.452 1
1 404 . 20 1 1 A 36 36 GLU H H 36 8.419 8.865 -0.446 1
1 405 . 20 1 1 A 36 36 GLU HA H 36 4.175 4.309 -0.134 1
1 410 . 20 1 1 A 36 36 GLU C C 36 177.626 177.605 0.021 1
1 411 . 20 1 1 A 36 36 GLU CA C 36 56.872 56.549 0.323 1
1 412 . 20 1 1 A 36 36 GLU CB C 36 29.675 30.189 -0.514 1
1 414 . 20 1 1 A 36 36 GLU N N 36 122.591 120.105 2.486 1
1 415 . 20 1 1 A 37 37 ARG H H 37 8.577 8.571 0.006 1
1 416 . 20 1 1 A 37 37 ARG HA H 37 3.889 3.953 -0.064 1
1 423 . 20 1 1 A 37 37 ARG C C 37 178.119 176.541 1.578 1
1 424 . 20 1 1 A 37 37 ARG CA C 37 58.924 59.620 -0.696 1
1 425 . 20 1 1 A 37 37 ARG CB C 37 30.074 30.063 0.011 1
1 428 . 20 1 1 A 37 37 ARG N N 37 124.790 124.292 0.498 1
1 429 . 20 1 1 A 38 38 ASP H H 38 8.623 7.980 0.643 1
1 430 . 20 1 1 A 38 38 ASP HA H 38 4.591 4.751 -0.160 1
1 433 . 20 1 1 A 38 38 ASP C C 38 176.021 176.787 -0.766 1
1 434 . 20 1 1 A 38 38 ASP CA C 38 55.073 54.962 0.111 1
1 435 . 20 1 1 A 38 38 ASP CB C 38 40.722 43.052 -2.330 1
1 436 . 20 1 1 A 38 38 ASP N N 38 116.313 115.622 0.691 1
1 437 . 20 1 1 A 39 39 ASN H H 39 7.668 8.013 -0.345 1
1 438 . 20 1 1 A 39 39 ASN HA H 39 4.936 4.741 0.195 1
1 443 . 20 1 1 A 39 39 ASN C C 39 175.702 175.989 -0.287 1
1 444 . 20 1 1 A 39 39 ASN CA C 39 52.626 51.955 0.671 1
1 445 . 20 1 1 A 39 39 ASN CB C 39 38.966 36.494 2.472 1
1 446 . 20 1 1 A 39 39 ASN N N 39 116.330 117.885 -1.555 1
1 448 . 20 1 1 A 40 40 GLN H H 40 8.324 8.377 -0.053 1
1 449 . 20 1 1 A 40 40 GLN HA H 40 4.285 4.369 -0.084 1
1 456 . 20 1 1 A 40 40 GLN C C 40 178.897 178.629 0.268 1
1 457 . 20 1 1 A 40 40 GLN CA C 40 58.513 58.279 0.234 1
1 458 . 20 1 1 A 40 40 GLN CB C 40 29.225 28.070 1.155 1
1 460 . 20 1 1 A 40 40 GLN N N 40 119.556 123.440 -3.884 1
1 462 . 20 1 1 A 41 41 GLU H H 41 8.956 8.237 0.719 1
1 463 . 20 1 1 A 41 41 GLU HA H 41 3.950 4.036 -0.086 1
1 468 . 20 1 1 A 41 41 GLU C C 41 176.712 178.458 -1.746 1
1 469 . 20 1 1 A 41 41 GLU CA C 41 58.716 59.673 -0.957 1
1 470 . 20 1 1 A 41 41 GLU CB C 41 29.124 29.040 0.084 1
1 472 . 20 1 1 A 41 41 GLU N N 41 121.919 120.098 1.821 1
1 473 . 20 1 1 A 42 42 GLN H H 42 7.634 8.244 -0.610 1
1 474 . 20 1 1 A 42 42 GLN HA H 42 4.052 4.144 -0.092 1
1 481 . 20 1 1 A 42 42 GLN C C 42 176.286 176.064 0.222 1
1 482 . 20 1 1 A 42 42 GLN CA C 42 56.859 58.066 -1.207 1
1 483 . 20 1 1 A 42 42 GLN CB C 42 28.418 28.249 0.169 1
1 485 . 20 1 1 A 42 42 GLN N N 42 114.515 116.607 -2.092 1
1 487 . 20 1 1 A 43 43 TYR H H 43 6.692 8.115 -1.423 1
1 488 . 20 1 1 A 43 43 TYR HA H 43 4.866 4.616 0.250 1
1 495 . 20 1 1 A 43 43 TYR C C 43 177.063 175.485 1.578 1
1 496 . 20 1 1 A 43 43 TYR CA C 43 58.627 58.716 -0.089 1
1 497 . 20 1 1 A 43 43 TYR CB C 43 39.628 39.355 0.273 1
1 502 . 20 1 1 A 43 43 TYR N N 43 116.167 119.670 -3.503 1
1 503 . 20 1 1 A 44 44 THR H H 44 8.785 8.721 0.064 1
1 504 . 20 1 1 A 44 44 THR HA H 44 4.800 5.322 -0.522 1
1 509 . 20 1 1 A 44 44 THR C C 44 176.061 176.048 0.013 1
1 510 . 20 1 1 A 44 44 THR CA C 44 60.519 59.876 0.643 1
1 511 . 20 1 1 A 44 44 THR CB C 44 71.926 71.862 0.064 1
1 513 . 20 1 1 A 44 44 THR N N 44 116.779 112.133 4.646 1
1 514 . 20 1 1 A 45 45 THR H H 45 8.849 9.095 -0.246 1
1 515 . 20 1 1 A 45 45 THR HA H 45 3.626 3.959 -0.333 1
1 520 . 20 1 1 A 45 45 THR C C 45 176.458 176.276 0.182 1
1 521 . 20 1 1 A 45 45 THR CA C 45 65.716 66.094 -0.378 1
1 522 . 20 1 1 A 45 45 THR CB C 45 67.141 68.214 -1.073 1
1 524 . 20 1 1 A 45 45 THR N N 45 112.579 116.253 -3.674 1
1 525 . 20 1 1 A 46 46 ILE H H 46 7.144 8.095 -0.951 1
1 526 . 20 1 1 A 46 46 ILE HA H 46 3.803 3.568 0.235 1
1 536 . 20 1 1 A 46 46 ILE C C 46 177.573 177.938 -0.365 1
1 537 . 20 1 1 A 46 46 ILE CA C 46 64.078 65.290 -1.212 1
1 538 . 20 1 1 A 46 46 ILE CB C 46 38.733 37.566 1.167 1
1 542 . 20 1 1 A 46 46 ILE N N 46 119.409 123.831 -4.422 1
1 543 . 20 1 1 A 47 47 GLN H H 47 7.552 7.994 -0.442 1
1 544 . 20 1 1 A 47 47 GLN HA H 47 4.124 4.062 0.062 1
1 551 . 20 1 1 A 47 47 GLN C C 47 179.640 178.846 0.794 1
1 552 . 20 1 1 A 47 47 GLN CA C 47 59.282 59.252 0.030 1
1 553 . 20 1 1 A 47 47 GLN CB C 47 29.242 28.481 0.761 1
1 555 . 20 1 1 A 47 47 GLN N N 47 119.564 118.529 1.035 1
1 557 . 20 1 1 A 48 48 ILE H H 48 8.520 8.024 0.496 1
1 558 . 20 1 1 A 48 48 ILE HA H 48 3.861 3.881 -0.020 1
1 568 . 20 1 1 A 48 48 ILE C C 48 177.779 178.432 -0.653 1
1 569 . 20 1 1 A 48 48 ILE CA C 48 61.208 64.087 -2.879 1
1 570 . 20 1 1 A 48 48 ILE CB C 48 34.654 36.941 -2.287 1
1 574 . 20 1 1 A 48 48 ILE N N 48 118.052 120.810 -2.758 1
1 575 . 20 1 1 A 49 49 ALA H H 49 8.826 8.498 0.328 1
1 576 . 20 1 1 A 49 49 ALA HA H 49 4.071 4.189 -0.118 1
1 580 . 20 1 1 A 49 49 ALA C C 49 179.849 179.858 -0.009 1
1 581 . 20 1 1 A 49 49 ALA CA C 49 55.909 55.308 0.601 1
1 582 . 20 1 1 A 49 49 ALA CB C 49 18.289 18.431 -0.142 1
1 583 . 20 1 1 A 49 49 ALA N N 49 123.182 123.896 -0.714 1
1 584 . 20 1 1 A 50 50 ASN H H 50 8.319 8.800 -0.481 1
1 585 . 20 1 1 A 50 50 ASN HA H 50 4.517 4.537 -0.020 1
1 590 . 20 1 1 A 50 50 ASN CA C 50 56.309 56.582 -0.273 1
1 591 . 20 1 1 A 50 50 ASN CB C 50 38.198 37.716 0.482 1
1 592 . 20 1 1 A 50 50 ASN N N 50 116.379 117.611 -1.232 1
1 594 . 20 1 1 A 51 51 MET H H 51 8.233 8.287 -0.054 1
1 595 . 20 1 1 A 51 51 MET HA H 51 4.132 4.221 -0.089 1
1 603 . 20 1 1 A 51 51 MET CA C 51 59.312 58.515 0.797 1
1 604 . 20 1 1 A 51 51 MET CB C 51 34.763 32.577 2.186 1
1 607 . 20 1 1 A 51 51 MET N N 51 119.934 119.010 0.924 1
1 608 . 20 1 1 A 52 52 MET H H 52 8.926 8.161 0.765 1
1 609 . 20 1 1 A 52 52 MET HA H 52 3.874 4.378 -0.504 1
1 617 . 20 1 1 A 52 52 MET C C 52 177.228 179.226 -1.998 1
1 618 . 20 1 1 A 52 52 MET CA C 52 60.218 58.753 1.465 1
1 619 . 20 1 1 A 52 52 MET CB C 52 33.427 33.441 -0.014 1
1 622 . 20 1 1 A 52 52 MET N N 52 120.686 118.531 2.155 1
1 623 . 20 1 1 A 53 53 GLU H H 53 8.111 8.412 -0.301 1
1 624 . 20 1 1 A 53 53 GLU HA H 53 3.863 4.054 -0.191 1
1 629 . 20 1 1 A 53 53 GLU C C 53 177.640 178.702 -1.062 1
1 630 . 20 1 1 A 53 53 GLU CA C 53 59.847 59.676 0.171 1
1 631 . 20 1 1 A 53 53 GLU CB C 53 29.778 29.433 0.345 1
1 633 . 20 1 1 A 53 53 GLU N N 53 119.207 118.650 0.557 1
1 634 . 20 1 1 A 54 54 GLU H H 54 7.030 7.578 -0.548 1
1 635 . 20 1 1 A 54 54 GLU HA H 54 4.014 4.314 -0.300 1
1 640 . 20 1 1 A 54 54 GLU C C 54 178.008 178.596 -0.588 1
1 641 . 20 1 1 A 54 54 GLU CA C 54 58.211 58.169 0.042 1
1 642 . 20 1 1 A 54 54 GLU CB C 54 30.149 30.422 -0.273 1
1 644 . 20 1 1 A 54 54 GLU N N 54 115.049 118.786 -3.737 1
1 645 . 20 1 1 A 55 55 LYS H H 55 7.670 8.187 -0.517 1
1 646 . 20 1 1 A 55 55 LYS HA H 55 3.930 3.825 0.105 1
1 655 . 20 1 1 A 55 55 LYS C C 55 175.986 176.108 -0.122 1
1 656 . 20 1 1 A 55 55 LYS CA C 55 56.405 59.071 -2.666 1
1 657 . 20 1 1 A 55 55 LYS CB C 55 32.705 31.648 1.057 1
1 661 . 20 1 1 A 55 55 LYS N N 55 117.040 121.113 -4.073 1
1 662 . 20 1 1 A 56 56 PHE H H 56 8.079 8.378 -0.299 1
1 663 . 20 1 1 A 56 56 PHE HA H 56 5.215 5.071 0.144 1
1 671 . 20 1 1 A 56 56 PHE CA C 56 53.965 54.887 -0.922 1
1 672 . 20 1 1 A 56 56 PHE CB C 56 38.759 39.147 -0.388 1
1 678 . 20 1 1 A 56 56 PHE N N 56 117.341 116.197 1.144 1
1 679 . 20 1 1 A 57 57 PRO HA H 57 4.514 4.549 -0.035 1
1 686 . 20 1 1 A 57 57 PRO CA C 57 64.818 64.210 0.608 1
1 687 . 20 1 1 A 57 57 PRO CB C 57 32.192 31.922 0.270 1
1 690 . 20 1 1 A 58 58 ALA H H 58 8.619 8.342 0.277 1
1 691 . 20 1 1 A 58 58 ALA HA H 58 4.206 4.154 0.052 1
1 695 . 20 1 1 A 58 58 ALA CA C 58 55.406 55.226 0.180 1
1 696 . 20 1 1 A 58 58 ALA CB C 58 18.353 19.367 -1.014 1
1 697 . 20 1 1 A 58 58 ALA N N 58 120.173 120.743 -0.570 1
1 698 . 20 1 1 A 59 59 ASP H H 59 7.515 7.811 -0.296 1
1 699 . 20 1 1 A 59 59 ASP HA H 59 4.810 4.884 -0.074 1
1 702 . 20 1 1 A 59 59 ASP CA C 59 52.659 52.629 0.030 1
1 703 . 20 1 1 A 59 59 ASP CB C 59 41.778 40.335 1.443 1
1 704 . 20 1 1 A 59 59 ASP N N 59 113.536 113.932 -0.396 1
1 705 . 20 1 1 A 60 60 SER H H 60 8.392 8.159 0.233 1
1 706 . 20 1 1 A 60 60 SER HA H 60 4.176 4.580 -0.404 1
1 709 . 20 1 1 A 60 60 SER CA C 60 60.221 59.128 1.093 1
1 710 . 20 1 1 A 60 60 SER CB C 60 62.050 61.036 1.014 1
1 711 . 20 1 1 A 60 60 SER N N 60 113.717 114.372 -0.655 1
1 712 . 20 1 1 A 61 61 GLY H H 61 8.299 8.566 -0.267 1
1 713 . 20 1 1 A 61 61 GLY HA2 H 61 4.005 3.621 0.384 1
1 714 . 20 1 1 A 61 61 GLY HA3 H 61 3.502 3.916 -0.414 1
1 715 . 20 1 1 A 61 61 GLY CA C 61 45.554 45.203 0.351 1
1 716 . 20 1 1 A 61 61 GLY N N 61 104.225 109.631 -5.406 1
1 717 . 20 1 1 A 62 62 LEU H H 62 7.927 8.243 -0.316 1
1 718 . 20 1 1 A 62 62 LEU HA H 62 3.915 3.982 -0.067 1
1 728 . 20 1 1 A 62 62 LEU CA C 62 58.075 57.869 0.206 1
1 729 . 20 1 1 A 62 62 LEU CB C 62 41.731 41.788 -0.057 1
1 733 . 20 1 1 A 62 62 LEU N N 62 122.094 122.683 -0.589 1
1 734 . 20 1 1 A 63 63 GLY H H 63 8.566 8.178 0.388 1
1 735 . 20 1 1 A 63 63 GLY HA2 H 63 3.847 3.744 0.103 1
1 736 . 20 1 1 A 63 63 GLY HA3 H 63 3.592 3.752 -0.160 1
1 737 . 20 1 1 A 63 63 GLY CA C 63 47.146 47.146 0.000 1
1 738 . 20 1 1 A 63 63 GLY N N 63 105.732 106.464 -0.732 1
1 739 . 20 1 1 A 64 64 LYS H H 64 7.509 8.122 -0.613 1
1 740 . 20 1 1 A 64 64 LYS HA H 64 4.115 4.037 0.078 1
1 749 . 20 1 1 A 64 64 LYS C C 64 179.856 178.910 0.946 1
1 750 . 20 1 1 A 64 64 LYS CA C 64 57.768 59.047 -1.279 1
1 751 . 20 1 1 A 64 64 LYS CB C 64 31.542 31.999 -0.457 1
1 755 . 20 1 1 A 64 64 LYS N N 64 120.697 121.687 -0.990 1
1 756 . 20 1 1 A 65 65 LEU H H 65 7.544 7.651 -0.107 1
1 757 . 20 1 1 A 65 65 LEU HA H 65 4.219 3.729 0.490 1
1 767 . 20 1 1 A 65 65 LEU C C 65 178.606 178.358 0.248 1
1 768 . 20 1 1 A 65 65 LEU CA C 65 57.675 57.751 -0.076 1
1 769 . 20 1 1 A 65 65 LEU CB C 65 41.040 41.384 -0.344 1
1 773 . 20 1 1 A 65 65 LEU N N 65 120.399 120.597 -0.198 1
1 774 . 20 1 1 A 66 66 ILE H H 66 8.605 8.412 0.193 1
1 775 . 20 1 1 A 66 66 ILE HA H 66 3.271 3.464 -0.193 1
1 785 . 20 1 1 A 66 66 ILE C C 66 176.721 177.828 -1.107 1
1 786 . 20 1 1 A 66 66 ILE CA C 66 67.612 65.829 1.783 1
1 787 . 20 1 1 A 66 66 ILE CB C 66 38.006 37.851 0.155 1
1 791 . 20 1 1 A 66 66 ILE N N 66 121.170 120.167 1.003 1
1 792 . 20 1 1 A 67 67 GLU H H 67 8.157 7.885 0.272 1
1 793 . 20 1 1 A 67 67 GLU HA H 67 4.007 4.149 -0.142 1
1 798 . 20 1 1 A 67 67 GLU C C 67 178.848 179.155 -0.307 1
1 799 . 20 1 1 A 67 67 GLU CA C 67 59.476 59.757 -0.281 1
1 800 . 20 1 1 A 67 67 GLU CB C 67 30.055 29.556 0.499 1
1 802 . 20 1 1 A 67 67 GLU N N 67 118.066 118.853 -0.787 1
1 803 . 20 1 1 A 68 68 PHE H H 68 7.673 8.091 -0.418 1
1 804 . 20 1 1 A 68 68 PHE HA H 68 4.393 4.134 0.259 1
1 812 . 20 1 1 A 68 68 PHE C C 68 176.609 177.789 -1.180 1
1 813 . 20 1 1 A 68 68 PHE CA C 68 60.660 61.498 -0.838 1
1 814 . 20 1 1 A 68 68 PHE CB C 68 39.666 39.421 0.245 1
1 820 . 20 1 1 A 68 68 PHE N N 68 119.383 121.217 -1.834 1
1 821 . 20 1 1 A 69 69 CYS H H 69 8.137 8.103 0.034 1
1 822 . 20 1 1 A 69 69 CYS HA H 69 3.714 3.811 -0.097 1
1 825 . 20 1 1 A 69 69 CYS C C 69 175.221 177.124 -1.903 1
1 826 . 20 1 1 A 69 69 CYS CA C 69 62.782 63.411 -0.629 1
1 827 . 20 1 1 A 69 69 CYS CB C 69 26.732 27.052 -0.320 1
1 828 . 20 1 1 A 69 69 CYS N N 69 115.218 116.748 -1.530 1
1 829 . 20 1 1 A 70 70 GLU H H 70 8.108 7.926 0.182 1
1 830 . 20 1 1 A 70 70 GLU HA H 70 3.739 3.915 -0.176 1
1 835 . 20 1 1 A 70 70 GLU C C 70 178.404 178.878 -0.474 1
1 836 . 20 1 1 A 70 70 GLU CA C 70 58.839 59.483 -0.644 1
1 837 . 20 1 1 A 70 70 GLU CB C 70 30.149 29.165 0.984 1
1 839 . 20 1 1 A 70 70 GLU N N 70 113.937 119.633 -5.696 1
1 840 . 20 1 1 A 71 71 GLU H H 71 7.306 8.379 -1.073 1
1 841 . 20 1 1 A 71 71 GLU HA H 71 4.148 4.109 0.039 1
1 846 . 20 1 1 A 71 71 GLU C C 71 176.363 176.241 0.122 1
1 847 . 20 1 1 A 71 71 GLU CA C 71 56.943 58.944 -2.001 1
1 848 . 20 1 1 A 71 71 GLU CB C 71 30.374 29.037 1.337 1
1 850 . 20 1 1 A 71 71 GLU N N 71 117.591 117.659 -0.068 1
1 851 . 20 1 1 A 72 72 VAL H H 72 7.055 7.769 -0.714 1
1 852 . 20 1 1 A 72 72 VAL HA H 72 4.220 4.182 0.038 1
1 860 . 20 1 1 A 72 72 VAL C C 72 174.906 175.393 -0.487 1
1 861 . 20 1 1 A 72 72 VAL CA C 72 59.360 58.325 1.035 1
1 862 . 20 1 1 A 72 72 VAL CB C 72 33.462 33.517 -0.055 1
1 865 . 20 1 1 A 72 72 VAL N N 72 122.531 120.994 1.537 1
1 866 . 20 1 1 A 73 73 PRO HA H 73 3.887 4.377 -0.490 1
1 873 . 20 1 1 A 73 73 PRO C C 73 179.162 177.524 1.638 1
1 874 . 20 1 1 A 73 73 PRO CA C 73 66.658 64.924 1.734 1
1 875 . 20 1 1 A 73 73 PRO CB C 73 31.819 31.938 -0.119 1
1 878 . 20 1 1 A 74 74 ALA H H 74 8.188 8.145 0.043 1
1 879 . 20 1 1 A 74 74 ALA HA H 74 4.217 4.214 0.003 1
1 883 . 20 1 1 A 74 74 ALA C C 74 178.535 178.043 0.492 1
1 884 . 20 1 1 A 74 74 ALA CA C 74 54.149 53.867 0.282 1
1 885 . 20 1 1 A 74 74 ALA CB C 74 19.305 18.518 0.787 1
1 886 . 20 1 1 A 74 74 ALA N N 74 116.317 119.622 -3.305 1
1 887 . 20 1 1 A 75 75 LEU H H 75 8.188 7.442 0.746 1
1 888 . 20 1 1 A 75 75 LEU HA H 75 4.607 4.292 0.315 1
1 898 . 20 1 1 A 75 75 LEU C C 75 177.094 177.835 -0.741 1
1 899 . 20 1 1 A 75 75 LEU CA C 75 53.645 54.877 -1.232 1
1 900 . 20 1 1 A 75 75 LEU CB C 75 42.633 42.371 0.262 1
1 904 . 20 1 1 A 75 75 LEU N N 75 116.296 115.213 1.083 1
1 905 . 20 1 1 A 76 76 ARG H H 76 7.332 7.962 -0.630 1
1 906 . 20 1 1 A 76 76 ARG HA H 76 3.789 3.857 -0.068 1
1 913 . 20 1 1 A 76 76 ARG C C 76 179.457 178.985 0.472 1
1 914 . 20 1 1 A 76 76 ARG CA C 76 60.815 60.118 0.697 1
1 915 . 20 1 1 A 76 76 ARG CB C 76 29.535 29.934 -0.399 1
1 918 . 20 1 1 A 76 76 ARG N N 76 122.654 119.082 3.572 1
1 919 . 20 1 1 A 77 77 LYS H H 77 8.489 7.888 0.601 1
1 920 . 20 1 1 A 77 77 LYS HA H 77 4.118 3.981 0.137 1
1 929 . 20 1 1 A 77 77 LYS C C 77 179.135 178.329 0.806 1
1 930 . 20 1 1 A 77 77 LYS CA C 77 58.963 58.853 0.110 1
1 931 . 20 1 1 A 77 77 LYS CB C 77 31.113 31.925 -0.812 1
1 935 . 20 1 1 A 77 77 LYS N N 77 119.343 119.222 0.121 1
1 936 . 20 1 1 A 78 78 ARG H H 78 7.626 8.077 -0.451 1
1 937 . 20 1 1 A 78 78 ARG HA H 78 3.931 4.080 -0.149 1
1 944 . 20 1 1 A 78 78 ARG C C 78 178.200 178.148 0.052 1
1 945 . 20 1 1 A 78 78 ARG CA C 78 56.415 58.536 -2.121 1
1 946 . 20 1 1 A 78 78 ARG CB C 78 27.010 29.878 -2.868 1
1 949 . 20 1 1 A 78 78 ARG N N 78 120.202 119.289 0.913 1
1 950 . 20 1 1 A 79 79 ALA H H 79 8.138 8.378 -0.240 1
1 951 . 20 1 1 A 79 79 ALA HA H 79 3.837 4.057 -0.220 1
1 955 . 20 1 1 A 79 79 ALA C C 79 178.684 179.828 -1.144 1
1 956 . 20 1 1 A 79 79 ALA CA C 79 55.692 55.072 0.620 1
1 957 . 20 1 1 A 79 79 ALA CB C 79 18.376 18.617 -0.241 1
1 958 . 20 1 1 A 79 79 ALA N N 79 120.388 122.491 -2.103 1
1 959 . 20 1 1 A 80 80 GLU H H 80 7.437 7.884 -0.447 1
1 960 . 20 1 1 A 80 80 GLU HA H 80 3.877 4.096 -0.219 1
1 965 . 20 1 1 A 80 80 GLU C C 80 179.640 178.619 1.021 1
1 966 . 20 1 1 A 80 80 GLU CA C 80 59.370 59.112 0.258 1
1 967 . 20 1 1 A 80 80 GLU CB C 80 29.445 29.322 0.123 1
1 969 . 20 1 1 A 80 80 GLU N N 80 115.384 116.508 -1.124 1
1 970 . 20 1 1 A 81 81 ILE H H 81 7.721 8.055 -0.334 1
1 971 . 20 1 1 A 81 81 ILE HA H 81 3.675 3.665 0.010 1
1 981 . 20 1 1 A 81 81 ILE C C 81 178.179 177.729 0.450 1
1 982 . 20 1 1 A 81 81 ILE CA C 81 65.187 65.805 -0.618 1
1 983 . 20 1 1 A 81 81 ILE CB C 81 38.471 37.926 0.545 1
1 987 . 20 1 1 A 81 81 ILE N N 81 121.563 121.167 0.396 1
1 988 . 20 1 1 A 82 82 LEU H H 82 8.374 8.314 0.060 1
1 989 . 20 1 1 A 82 82 LEU HA H 82 3.930 4.144 -0.214 1
1 999 . 20 1 1 A 82 82 LEU C C 82 179.279 179.490 -0.211 1
1 1000 . 20 1 1 A 82 82 LEU CA C 82 58.038 56.598 1.440 1
1 1001 . 20 1 1 A 82 82 LEU CB C 82 42.869 41.491 1.378 1
1 1005 . 20 1 1 A 82 82 LEU N N 82 119.839 119.235 0.604 1
1 1006 . 20 1 1 A 83 83 LYS H H 83 8.153 8.239 -0.086 1
1 1007 . 20 1 1 A 83 83 LYS HA H 83 3.740 4.031 -0.291 1
1 1016 . 20 1 1 A 83 83 LYS C C 83 179.548 179.067 0.481 1
1 1017 . 20 1 1 A 83 83 LYS CA C 83 60.433 59.338 1.095 1
1 1018 . 20 1 1 A 83 83 LYS CB C 83 32.703 32.529 0.174 1
1 1022 . 20 1 1 A 83 83 LYS N N 83 117.092 120.738 -3.646 1
1 1023 . 20 1 1 A 84 84 LYS H H 84 7.705 8.205 -0.500 1
1 1024 . 20 1 1 A 84 84 LYS HA H 84 4.101 3.920 0.181 1
1 1033 . 20 1 1 A 84 84 LYS C C 84 179.082 178.735 0.347 1
1 1034 . 20 1 1 A 84 84 LYS CA C 84 59.120 59.811 -0.691 1
1 1035 . 20 1 1 A 84 84 LYS CB C 84 32.291 32.463 -0.172 1
1 1039 . 20 1 1 A 84 84 LYS N N 84 121.473 121.191 0.282 1
1 1040 . 20 1 1 A 85 85 GLU H H 85 8.567 7.806 0.761 1
1 1041 . 20 1 1 A 85 85 GLU HA H 85 4.013 4.043 -0.030 1
1 1046 . 20 1 1 A 85 85 GLU CA C 85 59.360 59.480 -0.120 1
1 1047 . 20 1 1 A 85 85 GLU CB C 85 30.033 29.268 0.765 1
1 1049 . 20 1 1 A 85 85 GLU N N 85 119.645 117.553 2.092 1
1 1050 . 20 1 1 A 86 86 ARG H H 86 8.467 7.773 0.694 1
1 1051 . 20 1 1 A 86 86 ARG HA H 86 4.030 4.058 -0.028 1
1 1058 . 20 1 1 A 86 86 ARG C C 86 177.790 175.808 1.982 1
1 1059 . 20 1 1 A 86 86 ARG CA C 86 58.556 59.075 -0.519 1
1 1060 . 20 1 1 A 86 86 ARG CB C 86 30.377 30.202 0.175 1
1 1063 . 20 1 1 A 86 86 ARG N N 86 119.408 120.871 -1.463 1
1 1064 . 20 1 1 A 87 87 SER H H 87 7.851 7.871 -0.020 1
1 1065 . 20 1 1 A 87 87 SER HA H 87 4.369 4.631 -0.262 1
1 1068 . 20 1 1 A 87 87 SER C C 87 175.282 173.639 1.643 1
1 1069 . 20 1 1 A 87 87 SER CA C 87 60.271 58.757 1.514 1
1 1070 . 20 1 1 A 87 87 SER CB C 87 63.601 64.364 -0.763 1
1 1071 . 20 1 1 A 87 87 SER N N 87 115.071 114.009 1.062 1
1 1072 . 20 1 1 A 88 88 GLU H H 88 7.891 8.544 -0.653 1
1 1073 . 20 1 1 A 88 88 GLU HA H 88 4.316 4.879 -0.563 1
1 1078 . 20 1 1 A 88 88 GLU C C 88 176.801 176.513 0.288 1
1 1079 . 20 1 1 A 88 88 GLU CA C 88 57.036 55.222 1.814 1
1 1080 . 20 1 1 A 88 88 GLU CB C 88 30.024 29.833 0.191 1
1 1082 . 20 1 1 A 88 88 GLU N N 88 121.067 122.367 -1.300 1
1 1083 . 20 1 1 A 89 89 SER H H 89 7.934 8.831 -0.897 1
1 1084 . 20 1 1 A 89 89 SER HA H 89 4.503 4.059 0.444 1
1 1087 . 20 1 1 A 89 89 SER C C 89 174.624 174.295 0.329 1
1 1088 . 20 1 1 A 89 89 SER CA C 89 58.875 58.927 -0.052 1
1 1089 . 20 1 1 A 89 89 SER CB C 89 64.040 61.273 2.767 1
1 1090 . 20 1 1 A 89 89 SER N N 89 115.241 114.081 1.160 1
1 1091 . 20 1 1 A 90 90 GLY H H 90 8.062 8.086 -0.024 1
1 1092 . 20 1 1 A 90 90 GLY HA2 H 90 4.210 3.953 0.257 1
1 1093 . 20 1 1 A 90 90 GLY HA3 H 90 4.083 3.954 0.129 1
1 1094 . 20 1 1 A 90 90 GLY C C 90 171.774 173.061 -1.287 1
1 1095 . 20 1 1 A 90 90 GLY CA C 90 44.872 45.281 -0.409 1
1 1096 . 20 1 1 A 90 90 GLY N N 90 110.384 109.150 1.234 1
1 1097 . 20 1 1 A 91 91 PRO HA H 91 4.495 4.663 -0.168 1
1 1104 . 20 1 1 A 91 91 PRO C C 91 177.475 175.339 2.136 1
1 1105 . 20 1 1 A 91 91 PRO CA C 91 63.295 62.881 0.414 1
1 1106 . 20 1 1 A 91 91 PRO CB C 91 32.234 31.620 0.614 1
1 1109 . 20 1 1 A 92 92 SER H H 92 8.557 8.720 -0.163 1
1 1110 . 20 1 1 A 92 92 SER HA H 92 4.575 4.811 -0.236 1
1 1113 . 20 1 1 A 92 92 SER C C 92 174.736 172.360 2.376 1
1 1114 . 20 1 1 A 92 92 SER CA C 92 58.380 56.788 1.592 1
1 1115 . 20 1 1 A 92 92 SER CB C 92 64.221 64.650 -0.429 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 65 0.987 1
2 1 1 1 "RMS(OBS, PRED)" CA 87 1.250 1
3 1 1 1 "RMS(OBS, PRED)" CB 82 1.021 1
4 1 1 1 "RMS(OBS, PRED)" H 84 0.524 1
5 1 1 1 "RMS(OBS, PRED)" HA 92 0.281 1
6 1 1 1 "RMS(OBS, PRED)" N 82 2.628 1
7 1 2 1 "RMS(OBS, PRED)" C 65 0.952 1
8 1 2 1 "RMS(OBS, PRED)" CA 87 1.428 1
9 1 2 1 "RMS(OBS, PRED)" CB 82 1.087 1
10 1 2 1 "RMS(OBS, PRED)" H 84 0.496 1
11 1 2 1 "RMS(OBS, PRED)" HA 92 0.288 1
12 1 2 1 "RMS(OBS, PRED)" N 82 2.686 1
13 1 3 1 "RMS(OBS, PRED)" C 65 0.918 1
14 1 3 1 "RMS(OBS, PRED)" CA 87 1.319 1
15 1 3 1 "RMS(OBS, PRED)" CB 82 1.007 1
16 1 3 1 "RMS(OBS, PRED)" H 84 0.494 1
17 1 3 1 "RMS(OBS, PRED)" HA 92 0.284 1
18 1 3 1 "RMS(OBS, PRED)" N 82 2.555 1
19 1 4 1 "RMS(OBS, PRED)" C 65 0.898 1
20 1 4 1 "RMS(OBS, PRED)" CA 87 1.318 1
21 1 4 1 "RMS(OBS, PRED)" CB 82 0.933 1
22 1 4 1 "RMS(OBS, PRED)" H 84 0.476 1
23 1 4 1 "RMS(OBS, PRED)" HA 92 0.271 1
24 1 4 1 "RMS(OBS, PRED)" N 82 2.609 1
25 1 5 1 "RMS(OBS, PRED)" C 65 1.119 1
26 1 5 1 "RMS(OBS, PRED)" CA 87 1.357 1
27 1 5 1 "RMS(OBS, PRED)" CB 82 0.993 1
28 1 5 1 "RMS(OBS, PRED)" H 84 0.488 1
29 1 5 1 "RMS(OBS, PRED)" HA 92 0.282 1
30 1 5 1 "RMS(OBS, PRED)" N 82 2.705 1
31 1 6 1 "RMS(OBS, PRED)" C 65 0.968 1
32 1 6 1 "RMS(OBS, PRED)" CA 87 1.380 1
33 1 6 1 "RMS(OBS, PRED)" CB 82 1.036 1
34 1 6 1 "RMS(OBS, PRED)" H 84 0.500 1
35 1 6 1 "RMS(OBS, PRED)" HA 92 0.303 1
36 1 6 1 "RMS(OBS, PRED)" N 82 2.783 1
37 1 7 1 "RMS(OBS, PRED)" C 65 0.969 1
38 1 7 1 "RMS(OBS, PRED)" CA 87 1.449 1
39 1 7 1 "RMS(OBS, PRED)" CB 82 1.034 1
40 1 7 1 "RMS(OBS, PRED)" H 84 0.513 1
41 1 7 1 "RMS(OBS, PRED)" HA 92 0.304 1
42 1 7 1 "RMS(OBS, PRED)" N 82 2.710 1
43 1 8 1 "RMS(OBS, PRED)" C 65 0.936 1
44 1 8 1 "RMS(OBS, PRED)" CA 87 1.350 1
45 1 8 1 "RMS(OBS, PRED)" CB 82 1.046 1
46 1 8 1 "RMS(OBS, PRED)" H 84 0.444 1
47 1 8 1 "RMS(OBS, PRED)" HA 92 0.299 1
48 1 8 1 "RMS(OBS, PRED)" N 82 2.758 1
49 1 9 1 "RMS(OBS, PRED)" C 65 1.081 1
50 1 9 1 "RMS(OBS, PRED)" CA 87 1.426 1
51 1 9 1 "RMS(OBS, PRED)" CB 82 1.032 1
52 1 9 1 "RMS(OBS, PRED)" H 84 0.521 1
53 1 9 1 "RMS(OBS, PRED)" HA 92 0.289 1
54 1 9 1 "RMS(OBS, PRED)" N 82 2.554 1
55 1 10 1 "RMS(OBS, PRED)" C 65 0.997 1
56 1 10 1 "RMS(OBS, PRED)" CA 87 1.430 1
57 1 10 1 "RMS(OBS, PRED)" CB 82 0.992 1
58 1 10 1 "RMS(OBS, PRED)" H 84 0.524 1
59 1 10 1 "RMS(OBS, PRED)" HA 92 0.278 1
60 1 10 1 "RMS(OBS, PRED)" N 82 2.783 1
61 1 11 1 "RMS(OBS, PRED)" C 65 0.989 1
62 1 11 1 "RMS(OBS, PRED)" CA 87 1.329 1
63 1 11 1 "RMS(OBS, PRED)" CB 82 1.021 1
64 1 11 1 "RMS(OBS, PRED)" H 84 0.477 1
65 1 11 1 "RMS(OBS, PRED)" HA 92 0.280 1
66 1 11 1 "RMS(OBS, PRED)" N 82 2.730 1
67 1 12 1 "RMS(OBS, PRED)" C 65 0.964 1
68 1 12 1 "RMS(OBS, PRED)" CA 87 1.291 1
69 1 12 1 "RMS(OBS, PRED)" CB 82 1.047 1
70 1 12 1 "RMS(OBS, PRED)" H 84 0.501 1
71 1 12 1 "RMS(OBS, PRED)" HA 92 0.256 1
72 1 12 1 "RMS(OBS, PRED)" N 82 2.619 1
73 1 13 1 "RMS(OBS, PRED)" C 65 0.938 1
74 1 13 1 "RMS(OBS, PRED)" CA 87 1.387 1
75 1 13 1 "RMS(OBS, PRED)" CB 82 1.085 1
76 1 13 1 "RMS(OBS, PRED)" H 84 0.510 1
77 1 13 1 "RMS(OBS, PRED)" HA 92 0.289 1
78 1 13 1 "RMS(OBS, PRED)" N 82 2.792 1
79 1 14 1 "RMS(OBS, PRED)" C 65 0.968 1
80 1 14 1 "RMS(OBS, PRED)" CA 87 1.466 1
81 1 14 1 "RMS(OBS, PRED)" CB 82 0.938 1
82 1 14 1 "RMS(OBS, PRED)" H 84 0.498 1
83 1 14 1 "RMS(OBS, PRED)" HA 92 0.271 1
84 1 14 1 "RMS(OBS, PRED)" N 82 2.619 1
85 1 15 1 "RMS(OBS, PRED)" C 65 0.941 1
86 1 15 1 "RMS(OBS, PRED)" CA 87 1.327 1
87 1 15 1 "RMS(OBS, PRED)" CB 82 0.940 1
88 1 15 1 "RMS(OBS, PRED)" H 84 0.479 1
89 1 15 1 "RMS(OBS, PRED)" HA 92 0.277 1
90 1 15 1 "RMS(OBS, PRED)" N 82 2.447 1
91 1 16 1 "RMS(OBS, PRED)" C 65 0.979 1
92 1 16 1 "RMS(OBS, PRED)" CA 87 1.417 1
93 1 16 1 "RMS(OBS, PRED)" CB 82 0.924 1
94 1 16 1 "RMS(OBS, PRED)" H 84 0.503 1
95 1 16 1 "RMS(OBS, PRED)" HA 92 0.277 1
96 1 16 1 "RMS(OBS, PRED)" N 82 2.654 1
97 1 17 1 "RMS(OBS, PRED)" C 65 0.965 1
98 1 17 1 "RMS(OBS, PRED)" CA 87 1.319 1
99 1 17 1 "RMS(OBS, PRED)" CB 82 1.010 1
100 1 17 1 "RMS(OBS, PRED)" H 84 0.507 1
101 1 17 1 "RMS(OBS, PRED)" HA 92 0.259 1
102 1 17 1 "RMS(OBS, PRED)" N 82 2.454 1
103 1 18 1 "RMS(OBS, PRED)" C 65 1.087 1
104 1 18 1 "RMS(OBS, PRED)" CA 87 1.431 1
105 1 18 1 "RMS(OBS, PRED)" CB 82 1.131 1
106 1 18 1 "RMS(OBS, PRED)" H 84 0.467 1
107 1 18 1 "RMS(OBS, PRED)" HA 92 0.285 1
108 1 18 1 "RMS(OBS, PRED)" N 82 2.372 1
109 1 19 1 "RMS(OBS, PRED)" C 65 1.016 1
110 1 19 1 "RMS(OBS, PRED)" CA 87 1.409 1
111 1 19 1 "RMS(OBS, PRED)" CB 82 0.982 1
112 1 19 1 "RMS(OBS, PRED)" H 84 0.517 1
113 1 19 1 "RMS(OBS, PRED)" HA 92 0.280 1
114 1 19 1 "RMS(OBS, PRED)" N 82 2.509 1
115 1 20 1 "RMS(OBS, PRED)" C 65 1.006 1
116 1 20 1 "RMS(OBS, PRED)" CA 87 1.336 1
117 1 20 1 "RMS(OBS, PRED)" CB 82 1.054 1
118 1 20 1 "RMS(OBS, PRED)" H 84 0.534 1
119 1 20 1 "RMS(OBS, PRED)" HA 92 0.286 1
120 1 20 1 "RMS(OBS, PRED)" N 82 2.660 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER H H 6 8.063 8.535 -0.472 2
1 2 . 1 1 A 6 6 SER HA H 6 4.493 4.604 -0.111 2
1 5 . 1 1 A 6 6 SER CA C 6 59.071 58.147 0.924 2
1 6 . 1 1 A 6 6 SER CB C 6 63.626 63.045 0.581 2
1 7 . 1 1 A 7 7 GLY H H 7 8.424 8.261 0.163 2
1 8 . 1 1 A 7 7 GLY HA2 H 7 3.985 3.954 0.031 2
1 9 . 1 1 A 7 7 GLY HA3 H 7 3.834 3.954 -0.120 2
1 10 . 1 1 A 7 7 GLY CA C 7 47.092 46.379 0.713 2
1 11 . 1 1 A 7 7 GLY N N 7 109.548 110.020 -0.472 2
1 12 . 1 1 A 8 8 ILE H H 8 7.565 7.907 -0.342 2
1 13 . 1 1 A 8 8 ILE HA H 8 3.883 4.534 -0.651 2
1 23 . 1 1 A 8 8 ILE CA C 8 63.805 60.715 3.090 2
1 24 . 1 1 A 8 8 ILE CB C 8 37.866 39.443 -1.577 2
1 28 . 1 1 A 8 8 ILE N N 8 123.348 122.235 1.113 2
1 29 . 1 1 A 9 9 VAL H H 9 7.538 8.499 -0.961 2
1 30 . 1 1 A 9 9 VAL HA H 9 3.471 4.708 -1.237 2
1 38 . 1 1 A 9 9 VAL CA C 9 66.382 60.016 6.366 2
1 39 . 1 1 A 9 9 VAL CB C 9 31.755 35.003 -3.248 2
1 42 . 1 1 A 9 9 VAL N N 9 121.471 124.716 -3.245 2
1 43 . 1 1 A 10 10 LEU H H 10 7.941 8.971 -1.030 2
1 44 . 1 1 A 10 10 LEU HA H 10 3.848 3.972 -0.124 2
1 54 . 1 1 A 10 10 LEU CA C 10 58.619 57.749 0.870 2
1 55 . 1 1 A 10 10 LEU CB C 10 41.377 41.666 -0.289 2
1 59 . 1 1 A 10 10 LEU N N 10 119.521 128.598 -9.077 2
1 60 . 1 1 A 11 11 LEU H H 11 8.207 8.025 0.182 2
1 61 . 1 1 A 11 11 LEU HA H 11 3.792 4.103 -0.311 2
1 71 . 1 1 A 11 11 LEU CA C 11 58.241 57.781 0.460 2
1 72 . 1 1 A 11 11 LEU CB C 11 41.790 41.858 -0.068 2
1 76 . 1 1 A 11 11 LEU N N 11 119.938 119.975 -0.037 2
1 77 . 1 1 A 12 12 ARG H H 12 7.904 8.378 -0.474 2
1 78 . 1 1 A 12 12 ARG HA H 12 3.966 3.969 -0.003 2
1 85 . 1 1 A 12 12 ARG CA C 12 59.301 59.357 -0.056 2
1 86 . 1 1 A 12 12 ARG CB C 12 30.132 30.015 0.117 2
1 89 . 1 1 A 12 12 ARG N N 12 116.799 119.029 -2.230 2
1 90 . 1 1 A 13 13 GLY H H 13 8.190 8.275 -0.085 2
1 91 . 1 1 A 13 13 GLY HA2 H 13 3.740 3.823 -0.083 2
1 92 . 1 1 A 13 13 GLY HA3 H 13 3.437 3.831 -0.394 2
1 93 . 1 1 A 13 13 GLY CA C 13 47.988 46.966 1.022 2
1 94 . 1 1 A 13 13 GLY N N 13 107.618 107.574 0.044 2
1 95 . 1 1 A 14 14 LEU H H 14 8.515 8.064 0.451 2
1 96 . 1 1 A 14 14 LEU HA H 14 3.785 4.018 -0.233 2
1 106 . 1 1 A 14 14 LEU C C 14 178.232 178.741 -0.509 2
1 107 . 1 1 A 14 14 LEU CA C 14 57.401 57.761 -0.360 2
1 108 . 1 1 A 14 14 LEU CB C 14 41.981 41.782 0.199 2
1 112 . 1 1 A 14 14 LEU N N 14 120.161 122.495 -2.334 2
1 113 . 1 1 A 15 15 GLU H H 15 7.931 8.266 -0.335 2
1 114 . 1 1 A 15 15 GLU HA H 15 4.030 3.872 0.159 2
1 119 . 1 1 A 15 15 GLU CA C 15 57.961 59.457 -1.496 2
1 120 . 1 1 A 15 15 GLU CB C 15 30.140 29.186 0.954 2
1 122 . 1 1 A 15 15 GLU N N 15 114.703 117.442 -2.739 2
1 123 . 1 1 A 16 16 CYS H H 16 7.612 8.101 -0.489 2
1 124 . 1 1 A 16 16 CYS HA H 16 4.457 4.122 0.335 2
1 127 . 1 1 A 16 16 CYS CA C 16 60.982 62.529 -1.548 2
1 128 . 1 1 A 16 16 CYS CB C 16 27.917 27.132 0.785 2
1 129 . 1 1 A 16 16 CYS N N 16 114.695 118.897 -4.202 2
1 130 . 1 1 A 17 17 ILE H H 17 7.142 7.439 -0.297 2
1 131 . 1 1 A 17 17 ILE HA H 17 4.533 4.376 0.157 2
1 141 . 1 1 A 17 17 ILE CA C 17 61.521 60.820 0.701 2
1 142 . 1 1 A 17 17 ILE CB C 17 39.206 39.096 0.110 2
1 146 . 1 1 A 17 17 ILE N N 17 115.031 116.897 -1.866 2
1 147 . 1 1 A 18 18 ASN H H 18 8.325 8.919 -0.594 2
1 148 . 1 1 A 18 18 ASN HA H 18 4.575 4.828 -0.253 2
1 153 . 1 1 A 18 18 ASN C C 18 175.171 176.893 -1.721 2
1 154 . 1 1 A 18 18 ASN CA C 18 53.278 53.315 -0.037 2
1 155 . 1 1 A 18 18 ASN CB C 18 38.419 39.512 -1.093 2
1 156 . 1 1 A 18 18 ASN N N 18 119.943 122.619 -2.676 2
1 158 . 1 1 A 19 19 LYS H H 19 8.514 8.930 -0.416 2
1 159 . 1 1 A 19 19 LYS HA H 19 4.242 4.158 0.084 2
1 168 . 1 1 A 19 19 LYS C C 19 178.868 178.729 0.139 2
1 169 . 1 1 A 19 19 LYS CA C 19 60.006 59.849 0.158 2
1 170 . 1 1 A 19 19 LYS CB C 19 32.291 32.315 -0.024 2
1 174 . 1 1 A 19 19 LYS N N 19 118.191 123.737 -5.546 2
1 175 . 1 1 A 20 20 HIS H H 20 8.328 8.143 0.185 2
1 176 . 1 1 A 20 20 HIS HA H 20 4.371 4.268 0.103 2
1 181 . 1 1 A 20 20 HIS C C 20 178.335 176.737 1.598 2
1 182 . 1 1 A 20 20 HIS CA C 20 59.785 59.339 0.446 2
1 183 . 1 1 A 20 20 HIS CB C 20 29.879 30.036 -0.157 2
1 186 . 1 1 A 20 20 HIS N N 20 120.900 119.754 1.146 2
1 187 . 1 1 A 21 21 TYR H H 21 8.464 8.144 0.320 2
1 188 . 1 1 A 21 21 TYR HA H 21 4.540 4.160 0.380 2
1 195 . 1 1 A 21 21 TYR C C 21 178.222 178.552 -0.330 2
1 196 . 1 1 A 21 21 TYR CA C 21 61.863 61.660 0.203 2
1 197 . 1 1 A 21 21 TYR CB C 21 38.012 38.240 -0.228 2
1 202 . 1 1 A 21 21 TYR N N 21 118.132 117.397 0.735 2
1 203 . 1 1 A 22 22 PHE H H 22 9.095 8.380 0.715 2
1 204 . 1 1 A 22 22 PHE HA H 22 4.616 4.116 0.500 2
1 212 . 1 1 A 22 22 PHE C C 22 177.409 177.286 0.123 2
1 213 . 1 1 A 22 22 PHE CA C 22 59.761 61.766 -2.005 2
1 214 . 1 1 A 22 22 PHE CB C 22 38.982 39.250 -0.268 2
1 220 . 1 1 A 22 22 PHE N N 22 121.771 120.983 0.788 2
1 221 . 1 1 A 23 23 SER H H 23 8.400 8.374 0.026 2
1 222 . 1 1 A 23 23 SER HA H 23 3.785 3.869 -0.084 2
1 225 . 1 1 A 23 23 SER C C 23 177.318 177.209 0.109 2
1 226 . 1 1 A 23 23 SER CA C 23 62.453 61.447 1.006 2
1 227 . 1 1 A 23 23 SER CB C 23 62.279 62.983 -0.704 2
1 228 . 1 1 A 23 23 SER N N 23 115.511 113.776 1.735 2
1 229 . 1 1 A 24 24 LEU H H 24 7.737 8.274 -0.537 2
1 230 . 1 1 A 24 24 LEU HA H 24 4.118 3.972 0.146 2
1 240 . 1 1 A 24 24 LEU C C 24 178.956 178.953 0.003 2
1 241 . 1 1 A 24 24 LEU CA C 24 57.992 57.787 0.205 2
1 242 . 1 1 A 24 24 LEU CB C 24 42.066 42.280 -0.214 2
1 246 . 1 1 A 24 24 LEU N N 24 123.378 122.102 1.276 2
1 247 . 1 1 A 25 25 PHE H H 25 8.643 7.784 0.859 2
1 248 . 1 1 A 25 25 PHE HA H 25 3.475 3.397 0.078 2
1 256 . 1 1 A 25 25 PHE C C 25 176.905 176.964 -0.059 2
1 257 . 1 1 A 25 25 PHE CA C 25 61.196 61.386 -0.190 2
1 258 . 1 1 A 25 25 PHE CB C 25 38.741 38.717 0.024 2
1 264 . 1 1 A 25 25 PHE N N 25 122.640 118.575 4.065 2
1 265 . 1 1 A 26 26 LYS H H 26 8.022 7.759 0.263 2
1 266 . 1 1 A 26 26 LYS HA H 26 3.197 3.631 -0.434 2
1 275 . 1 1 A 26 26 LYS C C 26 177.424 178.960 -1.536 2
1 276 . 1 1 A 26 26 LYS CA C 26 61.439 59.589 1.850 2
1 277 . 1 1 A 26 26 LYS CB C 26 32.363 31.788 0.575 2
1 281 . 1 1 A 26 26 LYS N N 26 116.023 117.698 -1.675 2
1 282 . 1 1 A 27 27 SER H H 27 7.473 7.627 -0.154 2
1 283 . 1 1 A 27 27 SER HA H 27 4.134 4.207 -0.073 2
1 286 . 1 1 A 27 27 SER C C 27 177.449 176.889 0.560 2
1 287 . 1 1 A 27 27 SER CA C 27 61.544 61.469 0.075 2
1 288 . 1 1 A 27 27 SER CB C 27 62.828 62.813 0.015 2
1 289 . 1 1 A 27 27 SER N N 27 111.668 115.539 -3.871 2
1 290 . 1 1 A 28 28 LEU H H 28 7.625 7.702 -0.077 2
1 291 . 1 1 A 28 28 LEU HA H 28 4.117 4.024 0.093 2
1 301 . 1 1 A 28 28 LEU C C 28 179.076 178.631 0.445 2
1 302 . 1 1 A 28 28 LEU CA C 28 57.336 57.364 -0.028 2
1 303 . 1 1 A 28 28 LEU CB C 28 41.585 41.665 -0.080 2
1 307 . 1 1 A 28 28 LEU N N 28 123.121 121.421 1.700 2
1 308 . 1 1 A 29 29 LEU H H 29 7.391 7.443 -0.052 2
1 309 . 1 1 A 29 29 LEU HA H 29 4.276 4.129 0.147 2
1 319 . 1 1 A 29 29 LEU C C 29 177.606 178.000 -0.394 2
1 320 . 1 1 A 29 29 LEU CA C 29 54.243 55.981 -1.738 2
1 321 . 1 1 A 29 29 LEU CB C 29 41.665 41.970 -0.305 2
1 325 . 1 1 A 29 29 LEU N N 29 119.910 118.484 1.426 2
1 326 . 1 1 A 30 30 ALA H H 30 7.242 8.316 -1.074 2
1 327 . 1 1 A 30 30 ALA HA H 30 3.505 3.911 -0.406 2
1 331 . 1 1 A 30 30 ALA C C 30 179.568 179.568 -0.000 2
1 332 . 1 1 A 30 30 ALA CA C 30 56.470 55.422 1.048 2
1 333 . 1 1 A 30 30 ALA CB C 30 18.818 18.589 0.229 2
1 334 . 1 1 A 30 30 ALA N N 30 122.470 121.957 0.513 2
1 335 . 1 1 A 31 31 ARG H H 31 8.256 7.896 0.360 2
1 336 . 1 1 A 31 31 ARG HA H 31 4.142 4.064 0.078 2
1 343 . 1 1 A 31 31 ARG C C 31 179.303 178.307 0.996 2
1 344 . 1 1 A 31 31 ARG CA C 31 58.917 58.927 -0.010 2
1 345 . 1 1 A 31 31 ARG CB C 31 29.407 30.067 -0.660 2
1 348 . 1 1 A 31 31 ARG N N 31 116.240 117.044 -0.804 2
1 349 . 1 1 A 32 32 ASP H H 32 8.205 8.106 0.099 2
1 350 . 1 1 A 32 32 ASP HA H 32 4.334 4.366 -0.032 2
1 353 . 1 1 A 32 32 ASP C C 32 177.470 178.466 -0.996 2
1 354 . 1 1 A 32 32 ASP CA C 32 57.336 57.068 0.268 2
1 355 . 1 1 A 32 32 ASP CB C 32 41.582 40.810 0.772 2
1 356 . 1 1 A 32 32 ASP N N 32 120.398 120.152 0.246 2
1 357 . 1 1 A 33 33 LEU H H 33 7.933 8.128 -0.195 2
1 358 . 1 1 A 33 33 LEU HA H 33 4.206 4.135 0.071 2
1 368 . 1 1 A 33 33 LEU C C 33 175.261 176.304 -1.043 2
1 369 . 1 1 A 33 33 LEU CA C 33 53.700 55.513 -1.813 2
1 370 . 1 1 A 33 33 LEU CB C 33 41.306 41.943 -0.637 2
1 374 . 1 1 A 33 33 LEU N N 33 113.338 118.056 -4.718 2
1 375 . 1 1 A 34 34 ASN H H 34 7.688 8.045 -0.357 2
1 376 . 1 1 A 34 34 ASN HA H 34 4.307 4.562 -0.255 2
1 381 . 1 1 A 34 34 ASN C C 34 175.092 174.530 0.562 2
1 382 . 1 1 A 34 34 ASN CA C 34 53.960 54.257 -0.297 2
1 383 . 1 1 A 34 34 ASN CB C 34 37.073 36.946 0.127 2
1 384 . 1 1 A 34 34 ASN N N 34 116.912 116.389 0.523 2
1 386 . 1 1 A 35 35 LEU H H 35 8.177 7.871 0.306 2
1 387 . 1 1 A 35 35 LEU HA H 35 4.008 4.357 -0.349 2
1 397 . 1 1 A 35 35 LEU C C 35 177.637 176.562 1.075 2
1 398 . 1 1 A 35 35 LEU CA C 35 54.233 54.899 -0.666 2
1 399 . 1 1 A 35 35 LEU CB C 35 41.024 42.419 -1.395 2
1 403 . 1 1 A 35 35 LEU N N 35 115.363 119.643 -4.280 2
1 404 . 1 1 A 36 36 GLU H H 36 8.419 9.023 -0.604 2
1 405 . 1 1 A 36 36 GLU HA H 36 4.175 4.540 -0.365 2
1 410 . 1 1 A 36 36 GLU C C 36 177.626 177.295 0.331 2
1 411 . 1 1 A 36 36 GLU CA C 36 56.872 55.778 1.094 2
1 412 . 1 1 A 36 36 GLU CB C 36 29.675 30.215 -0.540 2
1 414 . 1 1 A 36 36 GLU N N 36 122.591 120.616 1.975 2
1 415 . 1 1 A 37 37 ARG H H 37 8.577 8.678 -0.101 2
1 416 . 1 1 A 37 37 ARG HA H 37 3.889 4.110 -0.221 2
1 423 . 1 1 A 37 37 ARG C C 37 178.119 177.291 0.828 2
1 424 . 1 1 A 37 37 ARG CA C 37 58.924 58.837 0.087 2
1 425 . 1 1 A 37 37 ARG CB C 37 30.074 30.142 -0.068 2
1 428 . 1 1 A 37 37 ARG N N 37 124.790 124.557 0.233 2
1 429 . 1 1 A 38 38 ASP H H 38 8.623 8.081 0.542 2
1 430 . 1 1 A 38 38 ASP HA H 38 4.591 4.661 -0.070 2
1 433 . 1 1 A 38 38 ASP C C 38 176.021 177.052 -1.031 2
1 434 . 1 1 A 38 38 ASP CA C 38 55.073 55.575 -0.502 2
1 435 . 1 1 A 38 38 ASP CB C 38 40.722 41.910 -1.188 2
1 436 . 1 1 A 38 38 ASP N N 38 116.313 118.175 -1.862 2
1 437 . 1 1 A 39 39 ASN H H 39 7.668 7.980 -0.312 2
1 438 . 1 1 A 39 39 ASN HA H 39 4.936 4.828 0.108 2
1 443 . 1 1 A 39 39 ASN C C 39 175.702 175.798 -0.096 2
1 444 . 1 1 A 39 39 ASN CA C 39 52.626 52.405 0.221 2
1 445 . 1 1 A 39 39 ASN CB C 39 38.966 38.168 0.798 2
1 446 . 1 1 A 39 39 ASN N N 39 116.330 117.243 -0.913 2
1 448 . 1 1 A 40 40 GLN H H 40 8.324 7.986 0.338 2
1 449 . 1 1 A 40 40 GLN HA H 40 4.285 4.387 -0.102 2
1 456 . 1 1 A 40 40 GLN C C 40 178.897 178.155 0.742 2
1 457 . 1 1 A 40 40 GLN CA C 40 58.513 57.756 0.757 2
1 458 . 1 1 A 40 40 GLN CB C 40 29.225 28.751 0.474 2
1 460 . 1 1 A 40 40 GLN N N 40 119.556 121.173 -1.617 2
1 462 . 1 1 A 41 41 GLU H H 41 8.956 8.160 0.796 2
1 463 . 1 1 A 41 41 GLU HA H 41 3.950 4.120 -0.170 2
1 468 . 1 1 A 41 41 GLU C C 41 176.712 178.650 -1.938 2
1 469 . 1 1 A 41 41 GLU CA C 41 58.716 59.202 -0.486 2
1 470 . 1 1 A 41 41 GLU CB C 41 29.124 29.406 -0.282 2
1 472 . 1 1 A 41 41 GLU N N 41 121.919 119.417 2.502 2
1 473 . 1 1 A 42 42 GLN H H 42 7.634 8.153 -0.519 2
1 474 . 1 1 A 42 42 GLN HA H 42 4.052 4.146 -0.094 2
1 481 . 1 1 A 42 42 GLN C C 42 176.286 176.160 0.126 2
1 482 . 1 1 A 42 42 GLN CA C 42 56.859 58.011 -1.152 2
1 483 . 1 1 A 42 42 GLN CB C 42 28.418 28.145 0.273 2
1 485 . 1 1 A 42 42 GLN N N 42 114.515 117.411 -2.896 2
1 487 . 1 1 A 43 43 TYR H H 43 6.692 7.683 -0.991 2
1 488 . 1 1 A 43 43 TYR HA H 43 4.866 4.627 0.239 2
1 495 . 1 1 A 43 43 TYR C C 43 177.063 175.464 1.599 2
1 496 . 1 1 A 43 43 TYR CA C 43 58.627 58.888 -0.261 2
1 497 . 1 1 A 43 43 TYR CB C 43 39.628 39.299 0.329 2
1 502 . 1 1 A 43 43 TYR N N 43 116.167 120.139 -3.972 2
1 503 . 1 1 A 44 44 THR H H 44 8.785 8.738 0.047 2
1 504 . 1 1 A 44 44 THR HA H 44 4.800 5.240 -0.441 2
1 509 . 1 1 A 44 44 THR C C 44 176.061 175.841 0.220 2
1 510 . 1 1 A 44 44 THR CA C 44 60.519 59.991 0.528 2
1 511 . 1 1 A 44 44 THR CB C 44 71.926 71.884 0.042 2
1 513 . 1 1 A 44 44 THR N N 44 116.779 112.643 4.136 2
1 514 . 1 1 A 45 45 THR H H 45 8.849 8.800 0.049 2
1 515 . 1 1 A 45 45 THR HA H 45 3.626 3.853 -0.227 2
1 520 . 1 1 A 45 45 THR C C 45 176.458 176.290 0.168 2
1 521 . 1 1 A 45 45 THR CA C 45 65.716 65.593 0.123 2
1 522 . 1 1 A 45 45 THR CB C 45 67.141 68.090 -0.949 2
1 524 . 1 1 A 45 45 THR N N 45 112.579 114.964 -2.385 2
1 525 . 1 1 A 46 46 ILE H H 46 7.144 7.815 -0.671 2
1 526 . 1 1 A 46 46 ILE HA H 46 3.803 3.693 0.110 2
1 536 . 1 1 A 46 46 ILE C C 46 177.573 177.879 -0.306 2
1 537 . 1 1 A 46 46 ILE CA C 46 64.078 65.085 -1.007 2
1 538 . 1 1 A 46 46 ILE CB C 46 38.733 37.568 1.165 2
1 542 . 1 1 A 46 46 ILE N N 46 119.409 123.152 -3.743 2
1 543 . 1 1 A 47 47 GLN H H 47 7.552 8.013 -0.461 2
1 544 . 1 1 A 47 47 GLN HA H 47 4.124 4.024 0.100 2
1 551 . 1 1 A 47 47 GLN C C 47 179.640 178.801 0.839 2
1 552 . 1 1 A 47 47 GLN CA C 47 59.282 59.102 0.180 2
1 553 . 1 1 A 47 47 GLN CB C 47 29.242 28.454 0.788 2
1 555 . 1 1 A 47 47 GLN N N 47 119.564 118.589 0.975 2
1 557 . 1 1 A 48 48 ILE H H 48 8.520 8.079 0.441 2
1 558 . 1 1 A 48 48 ILE HA H 48 3.861 3.744 0.117 2
1 568 . 1 1 A 48 48 ILE C C 48 177.779 178.042 -0.262 2
1 569 . 1 1 A 48 48 ILE CA C 48 61.208 65.045 -3.837 2
1 570 . 1 1 A 48 48 ILE CB C 48 34.654 37.605 -2.951 2
1 574 . 1 1 A 48 48 ILE N N 48 118.052 120.951 -2.899 2
1 575 . 1 1 A 49 49 ALA H H 49 8.826 8.378 0.448 2
1 576 . 1 1 A 49 49 ALA HA H 49 4.071 4.135 -0.064 2
1 580 . 1 1 A 49 49 ALA C C 49 179.849 180.014 -0.165 2
1 581 . 1 1 A 49 49 ALA CA C 49 55.909 55.640 0.269 2
1 582 . 1 1 A 49 49 ALA CB C 49 18.289 18.434 -0.145 2
1 583 . 1 1 A 49 49 ALA N N 49 123.182 122.638 0.544 2
1 584 . 1 1 A 50 50 ASN H H 50 8.319 8.248 0.071 2
1 585 . 1 1 A 50 50 ASN HA H 50 4.517 4.467 0.050 2
1 590 . 1 1 A 50 50 ASN CA C 50 56.309 56.697 -0.388 2
1 591 . 1 1 A 50 50 ASN CB C 50 38.198 38.114 0.084 2
1 592 . 1 1 A 50 50 ASN N N 50 116.379 117.463 -1.084 2
1 594 . 1 1 A 51 51 MET H H 51 8.233 8.053 0.180 2
1 595 . 1 1 A 51 51 MET HA H 51 4.132 4.107 0.025 2
1 603 . 1 1 A 51 51 MET CA C 51 59.312 58.524 0.788 2
1 604 . 1 1 A 51 51 MET CB C 51 34.763 32.292 2.471 2
1 607 . 1 1 A 51 51 MET N N 51 119.934 118.463 1.471 2
1 608 . 1 1 A 52 52 MET H H 52 8.926 8.237 0.689 2
1 609 . 1 1 A 52 52 MET HA H 52 3.874 4.272 -0.398 2
1 617 . 1 1 A 52 52 MET C C 52 177.228 178.853 -1.625 2
1 618 . 1 1 A 52 52 MET CA C 52 60.218 58.410 1.808 2
1 619 . 1 1 A 52 52 MET CB C 52 33.427 32.938 0.489 2
1 622 . 1 1 A 52 52 MET N N 52 120.686 118.738 1.948 2
1 623 . 1 1 A 53 53 GLU H H 53 8.111 8.380 -0.269 2
1 624 . 1 1 A 53 53 GLU HA H 53 3.863 4.054 -0.191 2
1 629 . 1 1 A 53 53 GLU C C 53 177.640 178.865 -1.225 2
1 630 . 1 1 A 53 53 GLU CA C 53 59.847 59.701 0.146 2
1 631 . 1 1 A 53 53 GLU CB C 53 29.778 29.366 0.412 2
1 633 . 1 1 A 53 53 GLU N N 53 119.207 118.865 0.342 2
1 634 . 1 1 A 54 54 GLU H H 54 7.030 7.760 -0.730 2
1 635 . 1 1 A 54 54 GLU HA H 54 4.014 4.150 -0.136 2
1 640 . 1 1 A 54 54 GLU C C 54 178.008 178.724 -0.716 2
1 641 . 1 1 A 54 54 GLU CA C 54 58.211 58.761 -0.550 2
1 642 . 1 1 A 54 54 GLU CB C 54 30.149 29.826 0.323 2
1 644 . 1 1 A 54 54 GLU N N 54 115.049 119.330 -4.281 2
1 645 . 1 1 A 55 55 LYS H H 55 7.670 7.921 -0.251 2
1 646 . 1 1 A 55 55 LYS HA H 55 3.930 3.825 0.105 2
1 655 . 1 1 A 55 55 LYS C C 55 175.986 176.330 -0.344 2
1 656 . 1 1 A 55 55 LYS CA C 55 56.405 58.788 -2.383 2
1 657 . 1 1 A 55 55 LYS CB C 55 32.705 31.830 0.875 2
1 661 . 1 1 A 55 55 LYS N N 55 117.040 120.153 -3.112 2
1 662 . 1 1 A 56 56 PHE H H 56 8.079 8.168 -0.089 2
1 663 . 1 1 A 56 56 PHE HA H 56 5.215 5.051 0.164 2
1 671 . 1 1 A 56 56 PHE CA C 56 53.965 54.966 -1.001 2
1 672 . 1 1 A 56 56 PHE CB C 56 38.759 39.152 -0.393 2
1 678 . 1 1 A 56 56 PHE N N 56 117.341 116.346 0.995 2
1 679 . 1 1 A 57 57 PRO HA H 57 4.514 4.566 -0.052 2
1 686 . 1 1 A 57 57 PRO CA C 57 64.818 64.208 0.610 2
1 687 . 1 1 A 57 57 PRO CB C 57 32.192 31.886 0.306 2
1 690 . 1 1 A 58 58 ALA H H 58 8.619 8.313 0.306 2
1 691 . 1 1 A 58 58 ALA HA H 58 4.206 4.167 0.039 2
1 695 . 1 1 A 58 58 ALA CA C 58 55.406 55.197 0.209 2
1 696 . 1 1 A 58 58 ALA CB C 58 18.353 19.222 -0.869 2
1 697 . 1 1 A 58 58 ALA N N 58 120.173 120.990 -0.817 2
1 698 . 1 1 A 59 59 ASP H H 59 7.515 7.941 -0.426 2
1 699 . 1 1 A 59 59 ASP HA H 59 4.810 4.739 0.071 2
1 702 . 1 1 A 59 59 ASP CA C 59 52.659 53.238 -0.579 2
1 703 . 1 1 A 59 59 ASP CB C 59 41.778 41.553 0.225 2
1 704 . 1 1 A 59 59 ASP N N 59 113.536 114.837 -1.301 2
1 705 . 1 1 A 60 60 SER H H 60 8.392 8.586 -0.194 2
1 706 . 1 1 A 60 60 SER HA H 60 4.176 4.636 -0.460 2
1 709 . 1 1 A 60 60 SER CA C 60 60.221 59.508 0.713 2
1 710 . 1 1 A 60 60 SER CB C 60 62.050 61.517 0.533 2
1 711 . 1 1 A 60 60 SER N N 60 113.717 112.985 0.732 2
1 712 . 1 1 A 61 61 GLY H H 61 8.299 8.395 -0.096 2
1 713 . 1 1 A 61 61 GLY HA2 H 61 4.005 3.879 0.126 2
1 714 . 1 1 A 61 61 GLY HA3 H 61 3.502 4.041 -0.539 2
1 715 . 1 1 A 61 61 GLY CA C 61 45.554 45.381 0.173 2
1 716 . 1 1 A 61 61 GLY N N 61 104.225 107.065 -2.840 2
1 717 . 1 1 A 62 62 LEU H H 62 7.927 7.958 -0.031 2
1 718 . 1 1 A 62 62 LEU HA H 62 3.915 4.004 -0.089 2
1 728 . 1 1 A 62 62 LEU CA C 62 58.075 57.860 0.215 2
1 729 . 1 1 A 62 62 LEU CB C 62 41.731 41.992 -0.261 2
1 733 . 1 1 A 62 62 LEU N N 62 122.094 122.754 -0.660 2
1 734 . 1 1 A 63 63 GLY H H 63 8.566 8.230 0.336 2
1 735 . 1 1 A 63 63 GLY HA2 H 63 3.847 3.707 0.140 2
1 736 . 1 1 A 63 63 GLY HA3 H 63 3.592 3.719 -0.127 2
1 737 . 1 1 A 63 63 GLY CA C 63 47.146 47.147 -0.001 2
1 738 . 1 1 A 63 63 GLY N N 63 105.732 106.377 -0.645 2
1 739 . 1 1 A 64 64 LYS H H 64 7.509 8.136 -0.627 2
1 740 . 1 1 A 64 64 LYS HA H 64 4.115 3.976 0.139 2
1 749 . 1 1 A 64 64 LYS C C 64 179.856 178.946 0.910 2
1 750 . 1 1 A 64 64 LYS CA C 64 57.768 59.199 -1.431 2
1 751 . 1 1 A 64 64 LYS CB C 64 31.542 32.024 -0.482 2
1 755 . 1 1 A 64 64 LYS N N 64 120.697 121.867 -1.170 2
1 756 . 1 1 A 65 65 LEU H H 65 7.544 7.918 -0.374 2
1 757 . 1 1 A 65 65 LEU HA H 65 4.219 3.708 0.511 2
1 767 . 1 1 A 65 65 LEU C C 65 178.606 178.429 0.177 2
1 768 . 1 1 A 65 65 LEU CA C 65 57.675 57.856 -0.181 2
1 769 . 1 1 A 65 65 LEU CB C 65 41.040 41.556 -0.516 2
1 773 . 1 1 A 65 65 LEU N N 65 120.399 120.621 -0.222 2
1 774 . 1 1 A 66 66 ILE H H 66 8.605 8.177 0.428 2
1 775 . 1 1 A 66 66 ILE HA H 66 3.271 3.553 -0.282 2
1 785 . 1 1 A 66 66 ILE C C 66 176.721 177.805 -1.084 2
1 786 . 1 1 A 66 66 ILE CA C 66 67.612 65.648 1.964 2
1 787 . 1 1 A 66 66 ILE CB C 66 38.006 37.710 0.296 2
1 791 . 1 1 A 66 66 ILE N N 66 121.170 120.042 1.128 2
1 792 . 1 1 A 67 67 GLU H H 67 8.157 7.973 0.184 2
1 793 . 1 1 A 67 67 GLU HA H 67 4.007 3.987 0.020 2
1 798 . 1 1 A 67 67 GLU C C 67 178.848 179.193 -0.345 2
1 799 . 1 1 A 67 67 GLU CA C 67 59.476 59.745 -0.269 2
1 800 . 1 1 A 67 67 GLU CB C 67 30.055 29.550 0.505 2
1 802 . 1 1 A 67 67 GLU N N 67 118.066 119.201 -1.134 2
1 803 . 1 1 A 68 68 PHE H H 68 7.673 8.017 -0.344 2
1 804 . 1 1 A 68 68 PHE HA H 68 4.393 4.150 0.243 2
1 812 . 1 1 A 68 68 PHE C C 68 176.609 177.606 -0.997 2
1 813 . 1 1 A 68 68 PHE CA C 68 60.660 61.592 -0.932 2
1 814 . 1 1 A 68 68 PHE CB C 68 39.666 39.438 0.228 2
1 820 . 1 1 A 68 68 PHE N N 68 119.383 121.008 -1.625 2
1 821 . 1 1 A 69 69 CYS H H 69 8.137 8.092 0.045 2
1 822 . 1 1 A 69 69 CYS HA H 69 3.714 3.891 -0.177 2
1 825 . 1 1 A 69 69 CYS C C 69 175.221 177.099 -1.877 2
1 826 . 1 1 A 69 69 CYS CA C 69 62.782 62.875 -0.093 2
1 827 . 1 1 A 69 69 CYS CB C 69 26.732 26.872 -0.140 2
1 828 . 1 1 A 69 69 CYS N N 69 115.218 116.667 -1.449 2
1 829 . 1 1 A 70 70 GLU H H 70 8.108 7.961 0.147 2
1 830 . 1 1 A 70 70 GLU HA H 70 3.739 3.959 -0.220 2
1 835 . 1 1 A 70 70 GLU C C 70 178.404 178.939 -0.535 2
1 836 . 1 1 A 70 70 GLU CA C 70 58.839 59.394 -0.555 2
1 837 . 1 1 A 70 70 GLU CB C 70 30.149 29.316 0.833 2
1 839 . 1 1 A 70 70 GLU N N 70 113.937 120.144 -6.207 2
1 840 . 1 1 A 71 71 GLU H H 71 7.306 8.069 -0.763 2
1 841 . 1 1 A 71 71 GLU HA H 71 4.148 4.095 0.053 2
1 846 . 1 1 A 71 71 GLU C C 71 176.363 176.861 -0.498 2
1 847 . 1 1 A 71 71 GLU CA C 71 56.943 59.026 -2.083 2
1 848 . 1 1 A 71 71 GLU CB C 71 30.374 29.090 1.284 2
1 850 . 1 1 A 71 71 GLU N N 71 117.591 118.600 -1.009 2
1 851 . 1 1 A 72 72 VAL H H 72 7.055 7.552 -0.497 2
1 852 . 1 1 A 72 72 VAL HA H 72 4.220 4.123 0.097 2
1 860 . 1 1 A 72 72 VAL C C 72 174.906 175.641 -0.735 2
1 861 . 1 1 A 72 72 VAL CA C 72 59.360 59.349 0.011 2
1 862 . 1 1 A 72 72 VAL CB C 72 33.462 32.106 1.356 2
1 865 . 1 1 A 72 72 VAL N N 72 122.531 121.132 1.399 2
1 866 . 1 1 A 73 73 PRO HA H 73 3.887 4.444 -0.557 2
1 873 . 1 1 A 73 73 PRO C C 73 179.162 177.244 1.918 2
1 874 . 1 1 A 73 73 PRO CA C 73 66.658 64.364 2.294 2
1 875 . 1 1 A 73 73 PRO CB C 73 31.819 31.791 0.028 2
1 878 . 1 1 A 74 74 ALA H H 74 8.188 8.175 0.013 2
1 879 . 1 1 A 74 74 ALA HA H 74 4.217 4.276 -0.059 2
1 883 . 1 1 A 74 74 ALA C C 74 178.535 178.134 0.401 2
1 884 . 1 1 A 74 74 ALA CA C 74 54.149 53.421 0.728 2
1 885 . 1 1 A 74 74 ALA CB C 74 19.305 19.094 0.211 2
1 886 . 1 1 A 74 74 ALA N N 74 116.317 120.230 -3.913 2
1 887 . 1 1 A 75 75 LEU H H 75 8.188 7.359 0.829 2
1 888 . 1 1 A 75 75 LEU HA H 75 4.607 4.253 0.354 2
1 898 . 1 1 A 75 75 LEU C C 75 177.094 177.837 -0.743 2
1 899 . 1 1 A 75 75 LEU CA C 75 53.645 54.831 -1.186 2
1 900 . 1 1 A 75 75 LEU CB C 75 42.633 42.465 0.168 2
1 904 . 1 1 A 75 75 LEU N N 75 116.296 115.695 0.601 2
1 905 . 1 1 A 76 76 ARG H H 76 7.332 7.925 -0.593 2
1 906 . 1 1 A 76 76 ARG HA H 76 3.789 3.877 -0.088 2
1 913 . 1 1 A 76 76 ARG C C 76 179.457 178.739 0.718 2
1 914 . 1 1 A 76 76 ARG CA C 76 60.815 59.890 0.925 2
1 915 . 1 1 A 76 76 ARG CB C 76 29.535 29.934 -0.399 2
1 918 . 1 1 A 76 76 ARG N N 76 122.654 119.680 2.974 2
1 919 . 1 1 A 77 77 LYS H H 77 8.489 7.961 0.528 2
1 920 . 1 1 A 77 77 LYS HA H 77 4.118 3.989 0.129 2
1 929 . 1 1 A 77 77 LYS C C 77 179.135 178.796 0.339 2
1 930 . 1 1 A 77 77 LYS CA C 77 58.963 59.313 -0.350 2
1 931 . 1 1 A 77 77 LYS CB C 77 31.113 32.171 -1.058 2
1 935 . 1 1 A 77 77 LYS N N 77 119.343 119.675 -0.332 2
1 936 . 1 1 A 78 78 ARG H H 78 7.626 8.075 -0.449 2
1 937 . 1 1 A 78 78 ARG HA H 78 3.931 4.056 -0.124 2
1 944 . 1 1 A 78 78 ARG C C 78 178.200 178.646 -0.446 2
1 945 . 1 1 A 78 78 ARG CA C 78 56.415 58.805 -2.390 2
1 946 . 1 1 A 78 78 ARG CB C 78 27.010 30.063 -3.053 2
1 949 . 1 1 A 78 78 ARG N N 78 120.202 119.306 0.896 2
1 950 . 1 1 A 79 79 ALA H H 79 8.138 8.108 0.030 2
1 951 . 1 1 A 79 79 ALA HA H 79 3.837 4.047 -0.210 2
1 955 . 1 1 A 79 79 ALA C C 79 178.684 179.769 -1.085 2
1 956 . 1 1 A 79 79 ALA CA C 79 55.692 55.214 0.478 2
1 957 . 1 1 A 79 79 ALA CB C 79 18.376 18.531 -0.155 2
1 958 . 1 1 A 79 79 ALA N N 79 120.388 122.062 -1.674 2
1 959 . 1 1 A 80 80 GLU H H 80 7.437 7.987 -0.550 2
1 960 . 1 1 A 80 80 GLU HA H 80 3.877 4.079 -0.202 2
1 965 . 1 1 A 80 80 GLU C C 80 179.640 178.676 0.964 2
1 966 . 1 1 A 80 80 GLU CA C 80 59.370 59.064 0.306 2
1 967 . 1 1 A 80 80 GLU CB C 80 29.445 29.159 0.286 2
1 969 . 1 1 A 80 80 GLU N N 80 115.384 116.421 -1.037 2
1 970 . 1 1 A 81 81 ILE H H 81 7.721 7.732 -0.011 2
1 971 . 1 1 A 81 81 ILE HA H 81 3.675 3.688 -0.013 2
1 981 . 1 1 A 81 81 ILE C C 81 178.179 178.500 -0.321 2
1 982 . 1 1 A 81 81 ILE CA C 81 65.187 65.222 -0.035 2
1 983 . 1 1 A 81 81 ILE CB C 81 38.471 37.719 0.752 2
1 987 . 1 1 A 81 81 ILE N N 81 121.563 121.309 0.254 2
1 988 . 1 1 A 82 82 LEU H H 82 8.374 8.332 0.042 2
1 989 . 1 1 A 82 82 LEU HA H 82 3.930 3.952 -0.022 2
1 999 . 1 1 A 82 82 LEU C C 82 179.279 179.081 0.198 2
1 1000 . 1 1 A 82 82 LEU CA C 82 58.038 57.677 0.361 2
1 1001 . 1 1 A 82 82 LEU CB C 82 42.869 41.346 1.523 2
1 1005 . 1 1 A 82 82 LEU N N 82 119.839 120.103 -0.264 2
1 1006 . 1 1 A 83 83 LYS H H 83 8.153 8.187 -0.034 2
1 1007 . 1 1 A 83 83 LYS HA H 83 3.740 3.953 -0.213 2
1 1016 . 1 1 A 83 83 LYS C C 83 179.548 178.952 0.596 2
1 1017 . 1 1 A 83 83 LYS CA C 83 60.433 59.947 0.486 2
1 1018 . 1 1 A 83 83 LYS CB C 83 32.703 32.340 0.363 2
1 1022 . 1 1 A 83 83 LYS N N 83 117.092 118.573 -1.481 2
1 1023 . 1 1 A 84 84 LYS H H 84 7.705 7.839 -0.134 2
1 1024 . 1 1 A 84 84 LYS HA H 84 4.101 3.946 0.155 2
1 1033 . 1 1 A 84 84 LYS C C 84 179.082 178.768 0.314 2
1 1034 . 1 1 A 84 84 LYS CA C 84 59.120 59.711 -0.591 2
1 1035 . 1 1 A 84 84 LYS CB C 84 32.291 32.236 0.055 2
1 1039 . 1 1 A 84 84 LYS N N 84 121.473 120.291 1.182 2
1 1040 . 1 1 A 85 85 GLU H H 85 8.567 7.977 0.590 2
1 1041 . 1 1 A 85 85 GLU HA H 85 4.013 4.114 -0.101 2
1 1046 . 1 1 A 85 85 GLU CA C 85 59.360 59.102 0.258 2
1 1047 . 1 1 A 85 85 GLU CB C 85 30.033 29.504 0.529 2
1 1049 . 1 1 A 85 85 GLU N N 85 119.645 118.412 1.233 2
1 1050 . 1 1 A 86 86 ARG H H 86 8.467 8.018 0.449 2
1 1051 . 1 1 A 86 86 ARG HA H 86 4.030 4.085 -0.055 2
1 1058 . 1 1 A 86 86 ARG C C 86 177.790 176.389 1.401 2
1 1059 . 1 1 A 86 86 ARG CA C 86 58.556 59.092 -0.536 2
1 1060 . 1 1 A 86 86 ARG CB C 86 30.377 30.012 0.365 2
1 1063 . 1 1 A 86 86 ARG N N 86 119.408 121.002 -1.594 2
1 1064 . 1 1 A 87 87 SER H H 87 7.851 7.803 0.048 2
1 1065 . 1 1 A 87 87 SER HA H 87 4.369 4.531 -0.162 2
1 1068 . 1 1 A 87 87 SER C C 87 175.282 173.784 1.498 2
1 1069 . 1 1 A 87 87 SER CA C 87 60.271 57.984 2.287 2
1 1070 . 1 1 A 87 87 SER CB C 87 63.601 64.022 -0.421 2
1 1071 . 1 1 A 87 87 SER N N 87 115.071 113.513 1.558 2
1 1072 . 1 1 A 88 88 GLU H H 88 7.891 8.724 -0.833 2
1 1073 . 1 1 A 88 88 GLU HA H 88 4.316 4.621 -0.305 2
1 1078 . 1 1 A 88 88 GLU C C 88 176.801 177.075 -0.274 2
1 1079 . 1 1 A 88 88 GLU CA C 88 57.036 56.431 0.605 2
1 1080 . 1 1 A 88 88 GLU CB C 88 30.024 30.826 -0.802 2
1 1082 . 1 1 A 88 88 GLU N N 88 121.067 124.572 -3.505 2
1 1083 . 1 1 A 89 89 SER H H 89 7.934 8.270 -0.336 2
1 1084 . 1 1 A 89 89 SER HA H 89 4.503 4.315 0.188 2
1 1087 . 1 1 A 89 89 SER C C 89 174.624 174.313 0.311 2
1 1088 . 1 1 A 89 89 SER CA C 89 58.875 59.209 -0.334 2
1 1089 . 1 1 A 89 89 SER CB C 89 64.040 62.987 1.053 2
1 1090 . 1 1 A 89 89 SER N N 89 115.241 114.430 0.811 2
1 1091 . 1 1 A 90 90 GLY H H 90 8.062 7.927 0.135 2
1 1092 . 1 1 A 90 90 GLY HA2 H 90 4.210 4.061 0.149 2
1 1093 . 1 1 A 90 90 GLY HA3 H 90 4.083 4.061 0.022 2
1 1094 . 1 1 A 90 90 GLY C C 90 171.774 173.539 -1.765 2
1 1095 . 1 1 A 90 90 GLY CA C 90 44.872 44.608 0.264 2
1 1096 . 1 1 A 90 90 GLY N N 90 110.384 108.482 1.902 2
1 1097 . 1 1 A 91 91 PRO HA H 91 4.495 4.574 -0.079 2
1 1104 . 1 1 A 91 91 PRO C C 91 177.475 176.358 1.117 2
1 1105 . 1 1 A 91 91 PRO CA C 91 63.295 63.376 -0.081 2
1 1106 . 1 1 A 91 91 PRO CB C 91 32.234 31.954 0.280 2
1 1109 . 1 1 A 92 92 SER H H 92 8.557 8.247 0.310 2
1 1110 . 1 1 A 92 92 SER HA H 92 4.575 4.620 -0.045 2
1 1113 . 1 1 A 92 92 SER C C 92 174.736 173.851 0.885 2
1 1114 . 1 1 A 92 92 SER CA C 92 58.380 58.648 -0.268 2
1 1115 . 1 1 A 92 92 SER CB C 92 64.221 64.532 -0.311 2
stop_
save_