data_10148_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10148
_Entry.PDB_ID 2EE8
_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 8 8 GLY CA C 8 45.171 45.690 -0.519 1
1 2 . 1 1 1 A 8 8 GLY HA2 H 8 3.976 4.114 -0.138 1
1 3 . 1 1 1 A 8 8 GLY HA3 H 8 3.976 4.115 -0.139 1
1 4 . 1 1 1 A 8 8 GLY C C 8 173.956 171.846 2.110 1
1 5 . 1 1 1 A 9 9 ARG N N 9 120.445 122.610 -2.165 1
1 6 . 1 1 1 A 9 9 ARG H H 9 8.126 8.937 -0.811 1
1 7 . 1 1 1 A 9 9 ARG CA C 9 55.873 54.403 1.470 1
1 8 . 1 1 1 A 9 9 ARG HA H 9 4.318 5.147 -0.829 1
1 9 . 1 1 1 A 9 9 ARG CB C 9 30.899 33.726 -2.827 1
1 18 . 1 1 1 A 9 9 ARG C C 9 176.192 173.754 2.438 1
1 19 . 1 1 1 A 10 10 LEU N N 10 125.156 121.159 3.997 1
1 20 . 1 1 1 A 10 10 LEU H H 10 8.357 8.930 -0.573 1
1 21 . 1 1 1 A 10 10 LEU CA C 10 53.058 51.037 2.021 1
1 22 . 1 1 1 A 10 10 LEU HA H 10 4.589 4.755 -0.166 1
1 23 . 1 1 1 A 10 10 LEU CB C 10 41.599 44.639 -3.040 1
1 36 . 1 1 1 A 10 10 LEU C C 10 175.327 174.892 0.435 1
1 37 . 1 1 1 A 11 11 PRO CA C 11 63.064 62.745 0.319 1
1 38 . 1 1 1 A 11 11 PRO HA H 11 4.416 4.744 -0.328 1
1 39 . 1 1 1 A 11 11 PRO CB C 11 32.095 32.139 -0.044 1
1 48 . 1 1 1 A 13 13 LYS CA C 13 56.353 57.216 -0.863 1
1 49 . 1 1 1 A 13 13 LYS HA H 13 4.383 3.955 0.428 1
1 50 . 1 1 1 A 13 13 LYS CB C 13 33.019 31.028 1.991 1
1 62 . 1 1 1 A 13 13 LYS C C 13 176.694 176.407 0.287 1
1 63 . 1 1 1 A 14 14 THR N N 14 115.691 108.112 7.579 1
1 64 . 1 1 1 A 14 14 THR H H 14 8.140 7.745 0.395 1
1 65 . 1 1 1 A 14 14 THR CA C 14 61.919 60.147 1.772 1
1 66 . 1 1 1 A 14 14 THR HA H 14 4.265 4.894 -0.629 1
1 67 . 1 1 1 A 14 14 THR CB C 14 69.860 69.582 0.278 1
1 73 . 1 1 1 A 14 14 THR C C 14 174.261 173.173 1.088 1
1 74 . 1 1 1 A 15 15 LYS N N 15 124.645 126.707 -2.062 1
1 75 . 1 1 1 A 15 15 LYS H H 15 8.323 8.807 -0.484 1
1 76 . 1 1 1 A 15 15 LYS CA C 15 56.226 54.996 1.230 1
1 77 . 1 1 1 A 15 15 LYS HA H 15 4.278 4.894 -0.616 1
1 78 . 1 1 1 A 15 15 LYS CB C 15 33.220 34.285 -1.065 1
1 90 . 1 1 1 A 15 15 LYS C C 15 175.921 175.175 0.746 1
1 91 . 1 1 1 A 16 16 LYS N N 16 123.830 123.058 0.772 1
1 92 . 1 1 1 A 16 16 LYS H H 16 8.332 8.846 -0.514 1
1 93 . 1 1 1 A 16 16 LYS CA C 16 55.966 54.933 1.033 1
1 94 . 1 1 1 A 16 16 LYS HA H 16 4.192 5.054 -0.862 1
1 95 . 1 1 1 A 16 16 LYS CB C 16 33.028 35.835 -2.807 1
1 107 . 1 1 1 A 16 16 LYS C C 16 175.334 175.029 0.305 1
1 108 . 1 1 1 A 17 17 GLU N N 17 121.077 121.341 -0.264 1
1 109 . 1 1 1 A 17 17 GLU H H 17 7.931 8.886 -0.955 1
1 110 . 1 1 1 A 17 17 GLU CA C 17 55.463 54.377 1.086 1
1 111 . 1 1 1 A 17 17 GLU HA H 17 4.300 5.122 -0.822 1
1 112 . 1 1 1 A 17 17 GLU CB C 17 31.984 33.829 -1.845 1
1 118 . 1 1 1 A 17 17 GLU C C 17 174.646 174.217 0.429 1
1 119 . 1 1 1 A 18 18 PHE N N 18 121.605 115.685 5.920 1
1 120 . 1 1 1 A 18 18 PHE H H 18 8.560 8.555 0.005 1
1 121 . 1 1 1 A 18 18 PHE CA C 18 56.963 56.549 0.414 1
1 122 . 1 1 1 A 18 18 PHE HA H 18 4.675 5.322 -0.647 1
1 123 . 1 1 1 A 18 18 PHE CB C 18 39.653 43.641 -3.988 1
1 134 . 1 1 1 A 18 18 PHE C C 18 173.933 175.008 -1.075 1
1 135 . 1 1 1 A 19 19 ILE N N 19 123.977 119.470 4.507 1
1 136 . 1 1 1 A 19 19 ILE H H 19 8.425 8.866 -0.441 1
1 137 . 1 1 1 A 19 19 ILE CA C 19 59.740 59.793 -0.053 1
1 138 . 1 1 1 A 19 19 ILE HA H 19 4.654 5.048 -0.394 1
1 139 . 1 1 1 A 19 19 ILE CB C 19 41.000 41.831 -0.831 1
1 152 . 1 1 1 A 19 19 ILE C C 19 175.584 174.804 0.780 1
1 153 . 1 1 1 A 20 20 CYS N N 20 129.741 126.959 2.782 1
1 154 . 1 1 1 A 20 20 CYS H H 20 9.224 9.226 -0.002 1
1 155 . 1 1 1 A 20 20 CYS CA C 20 59.974 59.387 0.587 1
1 156 . 1 1 1 A 20 20 CYS HA H 20 4.827 4.544 0.283 1
1 157 . 1 1 1 A 20 20 CYS CB C 20 30.335 28.890 1.445 1
1 160 . 1 1 1 A 20 20 CYS C C 20 178.043 175.420 2.623 1
1 161 . 1 1 1 A 21 21 LYS N N 21 132.598 122.043 10.555 1
1 162 . 1 1 1 A 21 21 LYS H H 21 9.473 8.491 0.982 1
1 163 . 1 1 1 A 21 21 LYS CA C 21 58.099 56.704 1.395 1
1 164 . 1 1 1 A 21 21 LYS HA H 21 4.104 4.515 -0.411 1
1 165 . 1 1 1 A 21 21 LYS CB C 21 31.695 34.193 -2.498 1
1 177 . 1 1 1 A 21 21 LYS C C 21 175.765 178.253 -2.488 1
1 178 . 1 1 1 A 22 22 PHE N N 22 121.000 118.154 2.846 1
1 179 . 1 1 1 A 22 22 PHE H H 22 9.158 8.161 0.997 1
1 180 . 1 1 1 A 22 22 PHE CA C 22 59.743 59.799 -0.056 1
1 181 . 1 1 1 A 22 22 PHE HA H 22 4.394 4.099 0.295 1
1 182 . 1 1 1 A 22 22 PHE CB C 22 37.953 37.503 0.450 1
1 195 . 1 1 1 A 22 22 PHE C C 22 176.819 177.170 -0.351 1
1 196 . 1 1 1 A 23 23 CYS N N 23 115.955 113.493 2.462 1
1 197 . 1 1 1 A 23 23 CYS H H 23 8.410 7.946 0.464 1
1 198 . 1 1 1 A 23 23 CYS CA C 23 58.486 59.452 -0.966 1
1 199 . 1 1 1 A 23 23 CYS HA H 23 5.262 4.666 0.596 1
1 200 . 1 1 1 A 23 23 CYS CB C 23 33.092 30.519 2.573 1
1 203 . 1 1 1 A 23 23 CYS C C 23 176.770 175.757 1.013 1
1 204 . 1 1 1 A 24 24 GLY N N 24 112.575 111.173 1.402 1
1 205 . 1 1 1 A 24 24 GLY H H 24 8.092 8.201 -0.109 1
1 206 . 1 1 1 A 24 24 GLY CA C 24 46.302 46.599 -0.297 1
1 207 . 1 1 1 A 24 24 GLY HA2 H 24 4.238 3.959 0.279 1
1 208 . 1 1 1 A 24 24 GLY HA3 H 24 3.776 3.975 -0.199 1
1 209 . 1 1 1 A 24 24 GLY C C 24 173.621 174.439 -0.818 1
1 210 . 1 1 1 A 25 25 ARG N N 25 122.678 120.093 2.585 1
1 211 . 1 1 1 A 25 25 ARG H H 25 8.079 7.834 0.245 1
1 212 . 1 1 1 A 25 25 ARG CA C 25 58.063 54.622 3.441 1
1 213 . 1 1 1 A 25 25 ARG HA H 25 4.096 4.697 -0.601 1
1 214 . 1 1 1 A 25 25 ARG CB C 25 31.628 32.551 -0.923 1
1 223 . 1 1 1 A 25 25 ARG C C 25 174.641 175.035 -0.394 1
1 224 . 1 1 1 A 26 26 HIS N N 26 121.510 124.114 -2.604 1
1 225 . 1 1 1 A 26 26 HIS H H 26 8.454 9.004 -0.550 1
1 226 . 1 1 1 A 26 26 HIS CA C 26 55.553 55.330 0.223 1
1 227 . 1 1 1 A 26 26 HIS HA H 26 5.166 5.114 0.052 1
1 228 . 1 1 1 A 26 26 HIS CB C 26 32.066 31.181 0.885 1
1 235 . 1 1 1 A 26 26 HIS C C 26 174.732 174.831 -0.099 1
1 236 . 1 1 1 A 27 27 PHE N N 27 119.065 120.340 -1.275 1
1 237 . 1 1 1 A 27 27 PHE H H 27 9.035 8.608 0.427 1
1 238 . 1 1 1 A 27 27 PHE CA C 27 57.515 56.519 0.996 1
1 239 . 1 1 1 A 27 27 PHE HA H 27 4.724 4.818 -0.094 1
1 240 . 1 1 1 A 27 27 PHE CB C 27 43.276 42.572 0.704 1
1 253 . 1 1 1 A 27 27 PHE C C 27 175.205 176.276 -1.071 1
1 254 . 1 1 1 A 28 28 THR CA C 28 62.856 65.984 -3.128 1
1 255 . 1 1 1 A 28 28 THR HA H 28 4.691 4.149 0.542 1
1 256 . 1 1 1 A 28 28 THR CB C 28 69.897 68.831 1.066 1
1 262 . 1 1 1 A 28 28 THR C C 28 174.714 174.170 0.544 1
1 263 . 1 1 1 A 29 29 LYS N N 29 118.993 122.051 -3.058 1
1 264 . 1 1 1 A 29 29 LYS H H 29 7.456 7.838 -0.382 1
1 265 . 1 1 1 A 29 29 LYS CA C 29 54.239 54.822 -0.583 1
1 266 . 1 1 1 A 29 29 LYS HA H 29 4.573 4.813 -0.240 1
1 267 . 1 1 1 A 29 29 LYS CB C 29 35.412 34.567 0.845 1
1 279 . 1 1 1 A 29 29 LYS C C 29 176.395 177.073 -0.678 1
1 280 . 1 1 1 A 30 30 SER CA C 30 60.921 61.514 -0.593 1
1 281 . 1 1 1 A 30 30 SER HA H 30 3.025 4.235 -1.210 1
1 282 . 1 1 1 A 30 30 SER CB C 30 61.703 62.570 -0.867 1
1 285 . 1 1 1 A 31 31 TYR CA C 31 60.807 61.520 -0.713 1
1 286 . 1 1 1 A 31 31 TYR HA H 31 4.101 4.196 -0.095 1
1 287 . 1 1 1 A 31 31 TYR CB C 31 38.408 38.411 -0.003 1
1 298 . 1 1 1 A 31 31 TYR C C 31 176.455 177.541 -1.086 1
1 299 . 1 1 1 A 32 32 ASN N N 32 114.304 118.050 -3.746 1
1 300 . 1 1 1 A 32 32 ASN H H 32 6.481 8.375 -1.894 1
1 301 . 1 1 1 A 32 32 ASN CA C 32 55.198 56.829 -1.631 1
1 302 . 1 1 1 A 32 32 ASN HA H 32 4.283 4.572 -0.289 1
1 303 . 1 1 1 A 32 32 ASN CB C 32 37.912 39.709 -1.797 1
1 309 . 1 1 1 A 32 32 ASN C C 32 177.633 177.448 0.185 1
1 310 . 1 1 1 A 33 33 LEU N N 33 121.854 120.224 1.630 1
1 311 . 1 1 1 A 33 33 LEU H H 33 7.002 7.442 -0.440 1
1 312 . 1 1 1 A 33 33 LEU CA C 33 57.820 57.913 -0.093 1
1 313 . 1 1 1 A 33 33 LEU HA H 33 2.922 2.750 0.172 1
1 314 . 1 1 1 A 33 33 LEU CB C 33 40.350 41.295 -0.945 1
1 327 . 1 1 1 A 33 33 LEU C C 33 176.900 178.078 -1.178 1
1 328 . 1 1 1 A 34 34 LEU N N 34 120.140 116.405 3.735 1
1 329 . 1 1 1 A 34 34 LEU H H 34 7.795 7.533 0.262 1
1 330 . 1 1 1 A 34 34 LEU CA C 34 58.506 57.940 0.566 1
1 331 . 1 1 1 A 34 34 LEU HA H 34 3.933 3.937 -0.004 1
1 332 . 1 1 1 A 34 34 LEU CB C 34 41.523 41.266 0.257 1
1 345 . 1 1 1 A 34 34 LEU C C 34 179.914 179.173 0.741 1
1 346 . 1 1 1 A 35 35 ILE N N 35 116.693 119.865 -3.172 1
1 347 . 1 1 1 A 35 35 ILE H H 35 7.368 7.827 -0.459 1
1 348 . 1 1 1 A 35 35 ILE CA C 35 63.641 65.165 -1.524 1
1 349 . 1 1 1 A 35 35 ILE HA H 35 3.533 3.660 -0.127 1
1 350 . 1 1 1 A 35 35 ILE CB C 35 37.380 37.769 -0.389 1
1 363 . 1 1 1 A 35 35 ILE C C 35 178.700 178.476 0.224 1
1 364 . 1 1 1 A 36 36 HIS N N 36 119.039 120.546 -1.507 1
1 365 . 1 1 1 A 36 36 HIS H H 36 7.424 7.904 -0.480 1
1 366 . 1 1 1 A 36 36 HIS CA C 36 59.486 59.061 0.425 1
1 367 . 1 1 1 A 36 36 HIS HA H 36 4.282 4.294 -0.012 1
1 368 . 1 1 1 A 36 36 HIS CB C 36 28.563 29.971 -1.408 1
1 375 . 1 1 1 A 36 36 HIS C C 36 178.907 177.391 1.516 1
1 376 . 1 1 1 A 37 37 GLU N N 37 122.627 117.632 4.995 1
1 377 . 1 1 1 A 37 37 GLU H H 37 9.459 8.086 1.373 1
1 378 . 1 1 1 A 37 37 GLU CA C 37 61.473 59.886 1.587 1
1 379 . 1 1 1 A 37 37 GLU HA H 37 3.922 3.772 0.150 1
1 380 . 1 1 1 A 37 37 GLU CB C 37 30.028 29.367 0.661 1
1 386 . 1 1 1 A 37 37 GLU C C 37 178.840 179.109 -0.269 1
1 387 . 1 1 1 A 38 38 ARG N N 38 116.143 119.830 -3.687 1
1 388 . 1 1 1 A 38 38 ARG H H 38 7.244 7.553 -0.309 1
1 389 . 1 1 1 A 38 38 ARG CA C 38 58.258 59.345 -1.087 1
1 390 . 1 1 1 A 38 38 ARG HA H 38 4.129 3.918 0.211 1
1 391 . 1 1 1 A 38 38 ARG CB C 38 30.054 29.816 0.238 1
1 400 . 1 1 1 A 38 38 ARG C C 38 177.863 178.335 -0.472 1
1 401 . 1 1 1 A 39 39 THR N N 39 109.313 112.500 -3.187 1
1 402 . 1 1 1 A 39 39 THR H H 39 7.639 8.211 -0.572 1
1 403 . 1 1 1 A 39 39 THR CA C 39 63.892 65.661 -1.769 1
1 404 . 1 1 1 A 39 39 THR HA H 39 4.075 3.951 0.124 1
1 405 . 1 1 1 A 39 39 THR CB C 39 69.337 68.040 1.297 1
1 411 . 1 1 1 A 39 39 THR C C 39 175.843 177.030 -1.187 1
1 412 . 1 1 1 A 40 40 HIS N N 40 119.019 119.305 -0.286 1
1 413 . 1 1 1 A 40 40 HIS H H 40 7.046 7.332 -0.286 1
1 414 . 1 1 1 A 40 40 HIS CA C 40 55.942 58.858 -2.916 1
1 415 . 1 1 1 A 40 40 HIS HA H 40 4.410 4.054 0.356 1
1 416 . 1 1 1 A 40 40 HIS CB C 40 27.446 28.737 -1.291 1
1 423 . 1 1 1 A 40 40 HIS C C 40 175.528 175.504 0.024 1
1 424 . 1 1 1 A 41 41 THR N N 41 111.847 110.049 1.798 1
1 425 . 1 1 1 A 41 41 THR H H 41 7.579 7.428 0.151 1
1 426 . 1 1 1 A 41 41 THR CA C 41 62.200 61.600 0.600 1
1 427 . 1 1 1 A 41 41 THR HA H 41 4.152 4.144 0.008 1
1 428 . 1 1 1 A 41 41 THR CB C 41 69.440 68.647 0.793 1
1 434 . 1 1 1 A 41 41 THR C C 41 174.484 173.815 0.669 1
1 435 . 1 1 1 A 42 42 ASP N N 42 122.207 127.264 -5.057 1
1 436 . 1 1 1 A 42 42 ASP H H 42 8.191 8.801 -0.610 1
1 437 . 1 1 1 A 42 42 ASP CA C 42 54.373 52.771 1.602 1
1 438 . 1 1 1 A 42 42 ASP HA H 42 4.524 4.979 -0.455 1
1 439 . 1 1 1 A 42 42 ASP CB C 42 41.045 41.443 -0.398 1
1 442 . 1 1 1 A 42 42 ASP C C 42 175.869 175.762 0.107 1
1 443 . 1 1 1 A 43 43 GLU N N 43 120.562 124.407 -3.845 1
1 444 . 1 1 1 A 43 43 GLU H H 43 8.064 8.706 -0.642 1
1 445 . 1 1 1 A 43 43 GLU CA C 43 57.378 58.140 -0.762 1
1 446 . 1 1 1 A 43 43 GLU HA H 43 4.098 4.463 -0.365 1
1 447 . 1 1 1 A 43 43 GLU CB C 43 30.262 30.837 -0.575 1
1 453 . 1 1 1 A 43 43 GLU C C 43 176.313 177.001 -0.688 1
1 454 . 1 1 1 A 44 44 ARG N N 44 120.015 119.355 0.660 1
1 455 . 1 1 1 A 44 44 ARG H H 44 8.190 7.986 0.204 1
1 456 . 1 1 1 A 44 44 ARG CA C 44 53.266 53.761 -0.495 1
1 457 . 1 1 1 A 44 44 ARG HA H 44 4.533 4.896 -0.363 1
1 458 . 1 1 1 A 44 44 ARG CB C 44 30.702 30.675 0.027 1
1 467 . 1 1 1 A 44 44 ARG C C 44 173.360 174.738 -1.378 1
1 468 . 1 1 1 A 45 45 PRO CA C 45 63.459 64.216 -0.757 1
1 469 . 1 1 1 A 45 45 PRO HA H 45 4.298 4.555 -0.257 1
1 470 . 1 1 1 A 45 45 PRO CB C 45 32.219 31.548 0.671 1
1 479 . 1 1 1 A 45 45 PRO C C 45 176.492 176.046 0.446 1
1 480 . 1 1 1 A 46 46 TYR N N 46 119.184 118.646 0.538 1
1 481 . 1 1 1 A 46 46 TYR H H 46 7.840 8.173 -0.333 1
1 482 . 1 1 1 A 46 46 TYR CA C 46 57.533 57.198 0.335 1
1 483 . 1 1 1 A 46 46 TYR HA H 46 4.757 4.746 0.011 1
1 484 . 1 1 1 A 46 46 TYR CB C 46 38.646 37.361 1.285 1
1 495 . 1 1 1 A 46 46 TYR C C 46 175.414 175.396 0.018 1
1 496 . 1 1 1 A 47 47 THR N N 47 117.631 120.313 -2.682 1
1 497 . 1 1 1 A 47 47 THR H H 47 8.607 8.493 0.114 1
1 498 . 1 1 1 A 47 47 THR CA C 47 60.593 61.434 -0.841 1
1 499 . 1 1 1 A 47 47 THR HA H 47 5.130 5.131 -0.001 1
1 500 . 1 1 1 A 47 47 THR CB C 47 71.076 70.715 0.361 1
1 506 . 1 1 1 A 47 47 THR C C 47 173.697 174.021 -0.324 1
1 507 . 1 1 1 A 48 48 CYS N N 48 127.009 126.263 0.746 1
1 508 . 1 1 1 A 48 48 CYS H H 48 9.072 8.948 0.124 1
1 509 . 1 1 1 A 48 48 CYS CA C 48 60.153 59.211 0.942 1
1 510 . 1 1 1 A 48 48 CYS HA H 48 4.422 4.566 -0.144 1
1 511 . 1 1 1 A 48 48 CYS CB C 48 29.832 28.944 0.888 1
1 514 . 1 1 1 A 48 48 CYS C C 48 176.023 175.957 0.066 1
1 515 . 1 1 1 A 49 49 ASP N N 49 129.691 122.507 7.184 1
1 516 . 1 1 1 A 49 49 ASP H H 49 9.129 8.672 0.457 1
1 517 . 1 1 1 A 49 49 ASP CA C 49 55.499 55.512 -0.013 1
1 518 . 1 1 1 A 49 49 ASP HA H 49 4.353 4.545 -0.192 1
1 519 . 1 1 1 A 49 49 ASP CB C 49 39.656 41.504 -1.848 1
1 522 . 1 1 1 A 49 49 ASP C C 49 175.094 176.859 -1.765 1
1 523 . 1 1 1 A 50 50 ILE N N 50 121.649 118.335 3.314 1
1 524 . 1 1 1 A 50 50 ILE H H 50 8.661 7.679 0.982 1
1 525 . 1 1 1 A 50 50 ILE CA C 50 62.888 62.875 0.013 1
1 526 . 1 1 1 A 50 50 ILE HA H 50 3.837 4.236 -0.399 1
1 527 . 1 1 1 A 50 50 ILE CB C 50 38.652 38.627 0.025 1
1 540 . 1 1 1 A 50 50 ILE C C 50 176.439 177.797 -1.358 1
1 541 . 1 1 1 A 51 51 CYS N N 51 116.341 118.713 -2.372 1
1 542 . 1 1 1 A 51 51 CYS H H 51 7.973 8.150 -0.177 1
1 543 . 1 1 1 A 51 51 CYS CA C 51 58.192 61.161 -2.969 1
1 544 . 1 1 1 A 51 51 CYS HA H 51 4.922 4.254 0.668 1
1 545 . 1 1 1 A 51 51 CYS CB C 51 32.086 28.338 3.748 1
1 548 . 1 1 1 A 51 51 CYS C C 51 175.814 175.633 0.181 1
1 549 . 1 1 1 A 52 52 HIS N N 52 116.961 119.895 -2.934 1
1 550 . 1 1 1 A 52 52 HIS H H 52 7.714 8.144 -0.430 1
1 551 . 1 1 1 A 52 52 HIS CA C 52 58.187 56.753 1.434 1
1 552 . 1 1 1 A 52 52 HIS HA H 52 4.521 4.282 0.239 1
1 553 . 1 1 1 A 52 52 HIS CB C 52 27.079 27.428 -0.349 1
1 560 . 1 1 1 A 52 52 HIS C C 52 174.215 174.377 -0.162 1
1 561 . 1 1 1 A 53 53 LYS N N 53 122.651 118.911 3.740 1
1 562 . 1 1 1 A 53 53 LYS H H 53 7.902 7.693 0.209 1
1 563 . 1 1 1 A 53 53 LYS CA C 53 58.205 55.597 2.608 1
1 564 . 1 1 1 A 53 53 LYS HA H 53 4.051 4.291 -0.240 1
1 565 . 1 1 1 A 53 53 LYS CB C 53 33.868 33.912 -0.044 1
1 577 . 1 1 1 A 53 53 LYS C C 53 173.816 175.722 -1.906 1
1 578 . 1 1 1 A 54 54 ALA N N 54 124.589 120.717 3.872 1
1 579 . 1 1 1 A 54 54 ALA H H 54 7.885 8.181 -0.296 1
1 580 . 1 1 1 A 54 54 ALA CA C 54 50.573 49.925 0.648 1
1 581 . 1 1 1 A 54 54 ALA HA H 54 5.098 5.766 -0.668 1
1 582 . 1 1 1 A 54 54 ALA CB C 54 22.290 22.646 -0.356 1
1 586 . 1 1 1 A 54 54 ALA C C 54 176.763 175.992 0.771 1
1 587 . 1 1 1 A 55 55 PHE N N 55 117.946 117.698 0.248 1
1 588 . 1 1 1 A 55 55 PHE H H 55 9.044 9.030 0.014 1
1 589 . 1 1 1 A 55 55 PHE CA C 55 57.320 56.520 0.800 1
1 590 . 1 1 1 A 55 55 PHE HA H 55 4.724 4.863 -0.139 1
1 591 . 1 1 1 A 55 55 PHE CB C 55 43.710 43.959 -0.249 1
1 604 . 1 1 1 A 55 55 PHE C C 55 175.251 175.154 0.097 1
1 605 . 1 1 1 A 56 56 ARG N N 56 119.843 118.635 1.208 1
1 606 . 1 1 1 A 56 56 ARG H H 56 9.587 8.571 1.016 1
1 607 . 1 1 1 A 56 56 ARG CA C 56 58.117 56.263 1.854 1
1 608 . 1 1 1 A 56 56 ARG HA H 56 4.603 4.278 0.325 1
1 609 . 1 1 1 A 56 56 ARG CB C 56 31.741 31.929 -0.188 1
1 618 . 1 1 1 A 56 56 ARG C C 56 176.201 175.691 0.510 1
1 619 . 1 1 1 A 57 57 ARG N N 57 113.134 118.989 -5.855 1
1 620 . 1 1 1 A 57 57 ARG H H 57 7.273 7.439 -0.166 1
1 621 . 1 1 1 A 57 57 ARG CA C 57 53.978 54.212 -0.234 1
1 622 . 1 1 1 A 57 57 ARG HA H 57 4.650 4.620 0.030 1
1 623 . 1 1 1 A 57 57 ARG CB C 57 34.701 33.904 0.797 1
1 632 . 1 1 1 A 57 57 ARG C C 57 176.296 176.183 0.113 1
1 633 . 1 1 1 A 58 58 GLN N N 58 124.070 122.575 1.495 1
1 634 . 1 1 1 A 58 58 GLN H H 58 8.583 9.091 -0.508 1
1 635 . 1 1 1 A 58 58 GLN CA C 58 59.036 59.142 -0.106 1
1 636 . 1 1 1 A 58 58 GLN HA H 58 3.004 4.102 -1.098 1
1 637 . 1 1 1 A 58 58 GLN CB C 58 28.229 29.049 -0.820 1
1 646 . 1 1 1 A 58 58 GLN C C 58 177.925 177.625 0.300 1
1 647 . 1 1 1 A 59 59 ASP CA C 59 56.406 56.460 -0.054 1
1 648 . 1 1 1 A 59 59 ASP HA H 59 4.046 4.390 -0.344 1
1 649 . 1 1 1 A 59 59 ASP CB C 59 38.248 39.806 -1.558 1
1 652 . 1 1 1 A 59 59 ASP C C 59 177.698 177.941 -0.243 1
1 653 . 1 1 1 A 60 60 HIS N N 60 119.173 117.369 1.804 1
1 654 . 1 1 1 A 60 60 HIS H H 60 6.954 7.451 -0.497 1
1 655 . 1 1 1 A 60 60 HIS CA C 60 56.843 59.858 -3.015 1
1 656 . 1 1 1 A 60 60 HIS HA H 60 4.432 4.891 -0.459 1
1 657 . 1 1 1 A 60 60 HIS CB C 60 31.752 30.874 0.878 1
1 664 . 1 1 1 A 60 60 HIS C C 60 178.617 177.882 0.735 1
1 665 . 1 1 1 A 61 61 LEU N N 61 120.844 120.792 0.052 1
1 666 . 1 1 1 A 61 61 LEU H H 61 6.979 8.137 -1.158 1
1 667 . 1 1 1 A 61 61 LEU CA C 61 57.728 57.692 0.036 1
1 668 . 1 1 1 A 61 61 LEU HA H 61 3.145 3.333 -0.188 1
1 669 . 1 1 1 A 61 61 LEU CB C 61 40.153 41.193 -1.040 1
1 682 . 1 1 1 A 61 61 LEU C C 61 176.855 178.288 -1.433 1
1 683 . 1 1 1 A 62 62 ARG N N 62 120.225 119.423 0.802 1
1 684 . 1 1 1 A 62 62 ARG H H 62 8.012 8.332 -0.320 1
1 685 . 1 1 1 A 62 62 ARG CA C 62 59.526 59.763 -0.237 1
1 686 . 1 1 1 A 62 62 ARG HA H 62 3.724 4.012 -0.288 1
1 687 . 1 1 1 A 62 62 ARG CB C 62 29.388 30.142 -0.754 1
1 696 . 1 1 1 A 62 62 ARG C C 62 178.582 178.291 0.291 1
1 697 . 1 1 1 A 63 63 ASP N N 63 117.219 117.761 -0.542 1
1 698 . 1 1 1 A 63 63 ASP H H 63 7.823 7.997 -0.174 1
1 699 . 1 1 1 A 63 63 ASP CA C 63 56.694 56.944 -0.250 1
1 700 . 1 1 1 A 63 63 ASP HA H 63 4.401 4.503 -0.102 1
1 701 . 1 1 1 A 63 63 ASP CB C 63 40.226 39.672 0.554 1
1 704 . 1 1 1 A 63 63 ASP C C 63 178.560 178.181 0.379 1
1 705 . 1 1 1 A 64 64 HIS N N 64 119.185 119.831 -0.646 1
1 706 . 1 1 1 A 64 64 HIS H H 64 7.606 8.621 -1.015 1
1 707 . 1 1 1 A 64 64 HIS CA C 64 58.772 60.259 -1.487 1
1 708 . 1 1 1 A 64 64 HIS HA H 64 4.211 4.167 0.044 1
1 709 . 1 1 1 A 64 64 HIS CB C 64 28.533 29.890 -1.357 1
1 716 . 1 1 1 A 64 64 HIS C C 64 176.334 176.474 -0.140 1
1 717 . 1 1 1 A 65 65 ARG N N 65 116.490 117.216 -0.726 1
1 718 . 1 1 1 A 65 65 ARG H H 65 8.157 8.071 0.086 1
1 719 . 1 1 1 A 65 65 ARG CA C 65 59.666 59.197 0.469 1
1 720 . 1 1 1 A 65 65 ARG HA H 65 3.576 3.899 -0.323 1
1 721 . 1 1 1 A 65 65 ARG CB C 65 29.958 29.970 -0.012 1
1 730 . 1 1 1 A 65 65 ARG C C 65 178.301 178.129 0.172 1
1 731 . 1 1 1 A 66 66 TYR N N 66 117.286 120.885 -3.599 1
1 732 . 1 1 1 A 66 66 TYR H H 66 7.169 7.981 -0.812 1
1 733 . 1 1 1 A 66 66 TYR CA C 66 60.186 61.241 -1.055 1
1 734 . 1 1 1 A 66 66 TYR HA H 66 4.339 4.120 0.219 1
1 735 . 1 1 1 A 66 66 TYR CB C 66 37.960 38.608 -0.648 1
1 746 . 1 1 1 A 66 66 TYR C C 66 178.191 177.239 0.952 1
1 747 . 1 1 1 A 67 67 ILE N N 67 117.609 116.187 1.422 1
1 748 . 1 1 1 A 67 67 ILE H H 67 7.883 8.152 -0.269 1
1 749 . 1 1 1 A 67 67 ILE CA C 67 63.440 64.250 -0.810 1
1 750 . 1 1 1 A 67 67 ILE HA H 67 3.836 3.984 -0.148 1
1 751 . 1 1 1 A 67 67 ILE CB C 67 37.482 37.208 0.274 1
1 764 . 1 1 1 A 67 67 ILE C C 67 177.511 176.581 0.930 1
1 765 . 1 1 1 A 68 68 HIS N N 68 116.764 121.144 -4.380 1
1 766 . 1 1 1 A 68 68 HIS H H 68 7.140 8.020 -0.880 1
1 767 . 1 1 1 A 68 68 HIS CA C 68 55.340 54.721 0.619 1
1 768 . 1 1 1 A 68 68 HIS HA H 68 4.768 4.644 0.124 1
1 769 . 1 1 1 A 68 68 HIS CB C 68 28.687 27.737 0.950 1
1 776 . 1 1 1 A 68 68 HIS C C 68 175.627 174.448 1.179 1
1 777 . 1 1 1 A 69 69 SER N N 69 114.870 118.011 -3.141 1
1 778 . 1 1 1 A 69 69 SER H H 69 7.731 8.508 -0.777 1
1 779 . 1 1 1 A 69 69 SER CA C 69 59.200 58.045 1.155 1
1 780 . 1 1 1 A 69 69 SER HA H 69 4.379 4.382 -0.003 1
1 781 . 1 1 1 A 69 69 SER CB C 69 63.765 63.732 0.033 1
1 784 . 1 1 1 A 69 69 SER C C 69 174.692 174.403 0.289 1
1 785 . 1 1 1 A 70 70 LYS N N 70 121.978 120.606 1.372 1
1 786 . 1 1 1 A 70 70 LYS H H 70 8.063 8.303 -0.240 1
1 787 . 1 1 1 A 70 70 LYS CA C 70 56.825 56.114 0.711 1
1 788 . 1 1 1 A 70 70 LYS HA H 70 4.214 4.514 -0.300 1
1 789 . 1 1 1 A 70 70 LYS CB C 70 32.539 33.348 -0.809 1
1 801 . 1 1 1 A 70 70 LYS C C 70 176.806 176.334 0.472 1
1 802 . 1 1 1 A 71 71 GLU N N 71 120.177 121.709 -1.532 1
1 803 . 1 1 1 A 71 71 GLU H H 71 8.008 8.446 -0.438 1
1 804 . 1 1 1 A 71 71 GLU CA C 71 56.472 57.724 -1.252 1
1 805 . 1 1 1 A 71 71 GLU HA H 71 4.191 4.204 -0.013 1
1 806 . 1 1 1 A 71 71 GLU CB C 71 29.335 30.194 -0.859 1
1 811 . 1 1 1 A 71 71 GLU C C 71 176.040 176.587 -0.547 1
1 812 . 1 1 1 A 72 72 LYS N N 72 121.800 123.488 -1.688 1
1 813 . 1 1 1 A 72 72 LYS H H 72 8.277 8.305 -0.028 1
1 814 . 1 1 1 A 72 72 LYS CA C 72 53.820 52.731 1.089 1
1 815 . 1 1 1 A 72 72 LYS HA H 72 4.391 4.871 -0.480 1
1 816 . 1 1 1 A 72 72 LYS CB C 72 32.139 34.435 -2.296 1
1 828 . 1 1 1 A 72 72 LYS C C 72 174.768 175.818 -1.050 1
1 829 . 1 1 1 A 73 73 PRO CA C 73 63.978 64.459 -0.481 1
1 830 . 1 1 1 A 73 73 PRO HA H 73 4.144 4.412 -0.268 1
1 831 . 1 1 1 A 73 73 PRO CB C 73 31.953 31.653 0.300 1
1 840 . 1 1 1 A 73 73 PRO C C 73 176.402 177.184 -0.782 1
1 841 . 1 1 1 A 74 74 PHE N N 74 117.425 117.097 0.328 1
1 842 . 1 1 1 A 74 74 PHE H H 74 7.686 8.315 -0.629 1
1 843 . 1 1 1 A 74 74 PHE CA C 74 57.020 57.988 -0.968 1
1 844 . 1 1 1 A 74 74 PHE HA H 74 4.691 4.733 -0.042 1
1 845 . 1 1 1 A 74 74 PHE CB C 74 39.403 38.808 0.595 1
1 856 . 1 1 1 A 74 74 PHE C C 74 174.442 174.974 -0.532 1
1 857 . 1 1 1 A 75 75 LYS N N 75 123.931 119.539 4.392 1
1 858 . 1 1 1 A 75 75 LYS H H 75 8.590 6.960 1.630 1
1 859 . 1 1 1 A 75 75 LYS CA C 75 54.951 54.616 0.335 1
1 860 . 1 1 1 A 75 75 LYS HA H 75 5.021 5.004 0.017 1
1 861 . 1 1 1 A 75 75 LYS CB C 75 35.286 36.143 -0.857 1
1 873 . 1 1 1 A 75 75 LYS C C 75 175.465 174.746 0.719 1
1 874 . 1 1 1 A 76 76 CYS N N 76 126.279 124.959 1.320 1
1 875 . 1 1 1 A 76 76 CYS H H 76 9.149 9.086 0.063 1
1 876 . 1 1 1 A 76 76 CYS CA C 76 59.553 59.752 -0.199 1
1 877 . 1 1 1 A 76 76 CYS HA H 76 4.462 4.650 -0.188 1
1 878 . 1 1 1 A 76 76 CYS CB C 76 29.772 28.663 1.109 1
1 881 . 1 1 1 A 76 76 CYS C C 76 177.367 174.729 2.638 1
1 882 . 1 1 1 A 77 77 GLN CA C 77 58.117 56.572 1.545 1
1 883 . 1 1 1 A 77 77 GLN HA H 77 4.130 4.496 -0.366 1
1 884 . 1 1 1 A 77 77 GLN CB C 77 28.479 29.372 -0.893 1
1 893 . 1 1 1 A 77 77 GLN C C 77 176.283 178.082 -1.799 1
1 894 . 1 1 1 A 78 78 GLU N N 78 120.320 120.070 0.250 1
1 895 . 1 1 1 A 78 78 GLU H H 78 8.682 7.741 0.941 1
1 896 . 1 1 1 A 78 78 GLU CA C 78 58.540 58.973 -0.433 1
1 897 . 1 1 1 A 78 78 GLU HA H 78 4.165 3.955 0.210 1
1 898 . 1 1 1 A 78 78 GLU CB C 78 29.469 28.735 0.734 1
1 904 . 1 1 1 A 78 78 GLU C C 78 177.275 178.629 -1.354 1
1 905 . 1 1 1 A 79 79 CYS N N 79 114.728 114.371 0.357 1
1 906 . 1 1 1 A 79 79 CYS H H 79 8.018 7.202 0.816 1
1 907 . 1 1 1 A 79 79 CYS CA C 79 58.271 59.970 -1.699 1
1 908 . 1 1 1 A 79 79 CYS HA H 79 5.142 4.497 0.645 1
1 909 . 1 1 1 A 79 79 CYS CB C 79 32.339 29.231 3.108 1
1 912 . 1 1 1 A 79 79 CYS C C 79 176.280 175.591 0.689 1
1 913 . 1 1 1 A 80 80 GLY N N 80 113.675 110.252 3.423 1
1 914 . 1 1 1 A 80 80 GLY H H 80 8.133 8.188 -0.055 1
1 915 . 1 1 1 A 80 80 GLY CA C 80 46.206 46.152 0.054 1
1 916 . 1 1 1 A 80 80 GLY HA2 H 80 4.213 3.949 0.264 1
1 917 . 1 1 1 A 80 80 GLY HA3 H 80 3.755 3.960 -0.205 1
1 918 . 1 1 1 A 80 80 GLY C C 80 173.619 174.807 -1.188 1
1 919 . 1 1 1 A 81 81 LYS N N 81 122.811 119.285 3.526 1
1 920 . 1 1 1 A 81 81 LYS H H 81 7.945 7.810 0.135 1
1 921 . 1 1 1 A 81 81 LYS CA C 81 58.211 55.861 2.350 1
1 922 . 1 1 1 A 81 81 LYS HA H 81 3.947 4.101 -0.154 1
1 923 . 1 1 1 A 81 81 LYS CB C 81 33.921 33.072 0.849 1
1 935 . 1 1 1 A 81 81 LYS C C 81 174.639 176.671 -2.032 1
1 936 . 1 1 1 A 82 82 GLY N N 82 108.366 110.729 -2.363 1
1 937 . 1 1 1 A 82 82 GLY H H 82 7.936 8.171 -0.235 1
1 938 . 1 1 1 A 82 82 GLY CA C 82 44.048 45.950 -1.902 1
1 939 . 1 1 1 A 82 82 GLY HA2 H 82 4.847 3.927 0.920 1
1 940 . 1 1 1 A 82 82 GLY HA3 H 82 3.291 3.952 -0.661 1
1 941 . 1 1 1 A 82 82 GLY C C 82 172.166 173.972 -1.806 1
1 942 . 1 1 1 A 83 83 PHE N N 83 117.822 119.927 -2.105 1
1 943 . 1 1 1 A 83 83 PHE H H 83 8.697 7.228 1.469 1
1 944 . 1 1 1 A 83 83 PHE CA C 83 57.338 58.773 -1.435 1
1 945 . 1 1 1 A 83 83 PHE HA H 83 4.755 4.408 0.347 1
1 946 . 1 1 1 A 83 83 PHE CB C 83 43.462 38.994 4.468 1
1 959 . 1 1 1 A 83 83 PHE C C 83 175.424 176.941 -1.517 1
1 960 . 1 1 1 A 84 84 CYS CA C 84 60.706 60.544 0.162 1
1 961 . 1 1 1 A 84 84 CYS HA H 84 4.608 4.306 0.302 1
1 962 . 1 1 1 A 84 84 CYS CB C 84 28.990 27.528 1.462 1
1 965 . 1 1 1 A 84 84 CYS C C 84 174.163 174.847 -0.684 1
1 966 . 1 1 1 A 85 85 GLN N N 85 114.620 121.348 -6.728 1
1 967 . 1 1 1 A 85 85 GLN H H 85 7.326 7.892 -0.566 1
1 968 . 1 1 1 A 85 85 GLN CA C 85 54.098 54.485 -0.387 1
1 969 . 1 1 1 A 85 85 GLN HA H 85 4.648 4.727 -0.079 1
1 970 . 1 1 1 A 85 85 GLN CB C 85 32.066 30.898 1.168 1
1 979 . 1 1 1 A 85 85 GLN C C 85 175.230 176.279 -1.049 1
1 980 . 1 1 1 A 86 86 SER CA C 86 61.164 61.293 -0.129 1
1 981 . 1 1 1 A 86 86 SER HA H 86 3.078 4.395 -1.317 1
1 982 . 1 1 1 A 86 86 SER CB C 86 61.738 63.173 -1.435 1
1 985 . 1 1 1 A 87 87 ARG CA C 87 58.886 59.138 -0.252 1
1 986 . 1 1 1 A 87 87 ARG HA H 87 4.049 4.023 0.026 1
1 987 . 1 1 1 A 87 87 ARG CB C 87 29.519 30.235 -0.716 1
1 996 . 1 1 1 A 87 87 ARG C C 87 177.520 178.921 -1.401 1
1 997 . 1 1 1 A 88 88 THR N N 88 112.500 115.282 -2.782 1
1 998 . 1 1 1 A 88 88 THR H H 88 6.796 8.048 -1.252 1
1 999 . 1 1 1 A 88 88 THR CA C 88 64.598 67.177 -2.579 1
1 1000 . 1 1 1 A 88 88 THR HA H 88 3.844 3.865 -0.021 1
1 1001 . 1 1 1 A 88 88 THR CB C 88 67.809 68.578 -0.769 1
1 1007 . 1 1 1 A 88 88 THR C C 88 177.343 175.815 1.528 1
1 1008 . 1 1 1 A 89 89 LEU N N 89 123.163 120.630 2.533 1
1 1009 . 1 1 1 A 89 89 LEU H H 89 6.898 8.030 -1.132 1
1 1010 . 1 1 1 A 89 89 LEU CA C 89 57.692 57.678 0.014 1
1 1011 . 1 1 1 A 89 89 LEU HA H 89 3.147 3.650 -0.503 1
1 1012 . 1 1 1 A 89 89 LEU CB C 89 40.133 41.797 -1.664 1
1 1025 . 1 1 1 A 89 89 LEU C C 89 176.886 178.494 -1.608 1
1 1026 . 1 1 1 A 90 90 ALA N N 90 120.747 121.035 -0.288 1
1 1027 . 1 1 1 A 90 90 ALA H H 90 7.837 7.701 0.136 1
1 1028 . 1 1 1 A 90 90 ALA CA C 90 55.646 55.326 0.320 1
1 1029 . 1 1 1 A 90 90 ALA HA H 90 3.914 4.007 -0.093 1
1 1030 . 1 1 1 A 90 90 ALA CB C 90 17.722 18.861 -1.139 1
1 1034 . 1 1 1 A 90 90 ALA C C 90 180.692 179.745 0.947 1
1 1035 . 1 1 1 A 91 91 VAL N N 91 117.181 118.018 -0.837 1
1 1036 . 1 1 1 A 91 91 VAL H H 91 7.475 7.752 -0.277 1
1 1037 . 1 1 1 A 91 91 VAL CA C 91 65.880 66.219 -0.339 1
1 1038 . 1 1 1 A 91 91 VAL HA H 91 3.662 3.749 -0.087 1
1 1039 . 1 1 1 A 91 91 VAL CB C 91 32.018 31.548 0.470 1
1 1049 . 1 1 1 A 91 91 VAL C C 91 178.708 178.452 0.256 1
1 1050 . 1 1 1 A 92 92 HIS N N 92 121.501 119.507 1.994 1
1 1051 . 1 1 1 A 92 92 HIS H H 92 7.625 7.768 -0.143 1
1 1052 . 1 1 1 A 92 92 HIS CA C 92 59.553 59.374 0.179 1
1 1053 . 1 1 1 A 92 92 HIS HA H 92 4.095 4.160 -0.065 1
1 1054 . 1 1 1 A 92 92 HIS CB C 92 28.040 29.775 -1.735 1
1 1061 . 1 1 1 A 92 92 HIS C C 92 176.518 177.292 -0.774 1
1 1062 . 1 1 1 A 93 93 LYS N N 93 116.162 118.440 -2.278 1
1 1063 . 1 1 1 A 93 93 LYS H H 93 8.372 8.324 0.048 1
1 1064 . 1 1 1 A 93 93 LYS CA C 93 60.253 59.339 0.914 1
1 1065 . 1 1 1 A 93 93 LYS HA H 93 3.732 3.916 -0.184 1
1 1066 . 1 1 1 A 93 93 LYS CB C 93 32.158 32.506 -0.348 1
1 1078 . 1 1 1 A 93 93 LYS C C 93 179.211 178.395 0.816 1
1 1079 . 1 1 1 A 94 94 THR N N 94 111.607 112.891 -1.284 1
1 1080 . 1 1 1 A 94 94 THR H H 94 7.434 8.006 -0.572 1
1 1081 . 1 1 1 A 94 94 THR CA C 94 65.106 65.643 -0.537 1
1 1082 . 1 1 1 A 94 94 THR HA H 94 4.034 4.007 0.027 1
1 1083 . 1 1 1 A 94 94 THR CB C 94 69.075 68.039 1.036 1
1 1089 . 1 1 1 A 94 94 THR C C 94 176.406 176.342 0.064 1
1 1090 . 1 1 1 A 95 95 LEU N N 95 121.689 118.835 2.854 1
1 1091 . 1 1 1 A 95 95 LEU H H 95 7.725 7.946 -0.221 1
1 1092 . 1 1 1 A 95 95 LEU CA C 95 56.680 57.437 -0.757 1
1 1093 . 1 1 1 A 95 95 LEU HA H 95 4.020 4.006 0.014 1
1 1094 . 1 1 1 A 95 95 LEU CB C 95 41.186 41.408 -0.222 1
1 1107 . 1 1 1 A 95 95 LEU C C 95 178.956 177.792 1.164 1
1 1108 . 1 1 1 A 96 96 HIS N N 96 114.750 117.175 -2.425 1
1 1109 . 1 1 1 A 96 96 HIS H H 96 7.160 7.717 -0.557 1
1 1110 . 1 1 1 A 96 96 HIS CA C 96 55.206 54.921 0.285 1
1 1111 . 1 1 1 A 96 96 HIS HA H 96 4.730 4.658 0.072 1
1 1112 . 1 1 1 A 96 96 HIS CB C 96 28.687 28.013 0.674 1
1 1119 . 1 1 1 A 96 96 HIS C C 96 175.230 175.539 -0.309 1
1 1120 . 1 1 1 A 97 97 MET N N 97 118.984 116.865 2.119 1
1 1121 . 1 1 1 A 97 97 MET H H 97 7.626 7.899 -0.273 1
1 1122 . 1 1 1 A 97 97 MET CA C 97 55.995 55.997 -0.002 1
1 1123 . 1 1 1 A 97 97 MET HA H 97 4.424 4.609 -0.185 1
1 1124 . 1 1 1 A 97 97 MET CB C 97 33.065 33.932 -0.867 1
1 1134 . 1 1 1 A 97 97 MET C C 97 176.174 176.331 -0.157 1
1 1135 . 1 1 1 A 98 98 GLN N N 98 120.828 115.862 4.966 1
1 1136 . 1 1 1 A 98 98 GLN H H 98 8.271 7.982 0.289 1
1 1137 . 1 1 1 A 98 98 GLN CA C 98 55.951 55.145 0.806 1
1 1138 . 1 1 1 A 98 98 GLN HA H 98 4.382 4.577 -0.195 1
1 1139 . 1 1 1 A 98 98 GLN CB C 98 29.364 28.678 0.686 1
1 1148 . 1 1 1 A 98 98 GLN C C 98 176.242 174.001 2.241 1
1 1149 . 1 1 1 A 99 99 THR N N 99 114.965 119.019 -4.054 1
1 1150 . 1 1 1 A 99 99 THR H H 99 8.200 8.803 -0.603 1
1 1151 . 1 1 1 A 99 99 THR CA C 99 61.773 59.792 1.981 1
1 1152 . 1 1 1 A 99 99 THR HA H 99 4.374 4.847 -0.473 1
1 1153 . 1 1 1 A 99 99 THR CB C 99 69.654 71.922 -2.268 1
1 1159 . 1 1 1 A 99 99 THR C C 99 174.491 173.861 0.630 1
1 1160 . 1 1 1 A 100 100 SER N N 100 118.047 122.269 -4.222 1
1 1161 . 1 1 1 A 100 100 SER H H 100 8.311 8.925 -0.614 1
1 1162 . 1 1 1 A 100 100 SER CA C 100 58.240 59.133 -0.893 1
1 1163 . 1 1 1 A 100 100 SER HA H 100 4.493 4.104 0.389 1
1 1164 . 1 1 1 A 100 100 SER CB C 100 63.843 62.197 1.646 1
1 1167 . 1 1 1 A 100 100 SER C C 100 174.152 173.417 0.735 1
1 1168 . 1 1 1 A 101 101 SER N N 101 118.812 115.267 3.545 1
1 1169 . 1 1 1 A 101 101 SER H H 101 8.358 7.774 0.584 1
1 1170 . 1 1 1 A 101 101 SER CA C 101 56.348 55.494 0.854 1
1 1171 . 1 1 1 A 101 101 SER HA H 101 4.773 4.951 -0.178 1
1 1172 . 1 1 1 A 101 101 SER CB C 101 63.554 63.663 -0.109 1
1 1175 . 1 1 1 A 101 101 SER C C 101 172.898 171.786 1.112 1
1 1176 . 1 1 1 A 102 102 PRO CA C 102 63.453 62.854 0.599 1
1 1177 . 1 1 1 A 102 102 PRO HA H 102 4.485 4.670 -0.185 1
1 1178 . 1 1 1 A 102 102 PRO CB C 102 32.126 32.325 -0.199 1
1 1187 . 1 1 1 A 102 102 PRO C C 102 177.181 176.487 0.694 1
1 1188 . 1 1 1 A 103 103 THR N N 103 114.257 109.770 4.487 1
1 1189 . 1 1 1 A 103 103 THR H H 103 8.188 8.486 -0.298 1
1 1190 . 1 1 1 A 103 103 THR CA C 103 61.748 62.022 -0.274 1
1 1191 . 1 1 1 A 103 103 THR HA H 103 4.273 4.568 -0.295 1
1 1192 . 1 1 1 A 103 103 THR CB C 103 69.833 70.163 -0.330 1
1 1198 . 1 1 1 A 103 103 THR C C 103 174.258 175.045 -0.787 1
1 1199 . 1 1 1 A 104 104 ALA N N 104 126.872 121.180 5.692 1
1 1200 . 1 1 1 A 104 104 ALA H H 104 8.240 7.595 0.645 1
1 1201 . 1 1 1 A 104 104 ALA CA C 104 52.369 51.374 0.995 1
1 1202 . 1 1 1 A 104 104 ALA HA H 104 4.316 4.547 -0.231 1
1 1203 . 1 1 1 A 104 104 ALA CB C 104 19.417 23.253 -3.836 1
1 1207 . 1 1 1 A 104 104 ALA C C 104 177.129 175.174 1.955 1
1 1208 . 1 1 1 A 105 105 ALA N N 105 124.353 122.664 1.689 1
1 1209 . 1 1 1 A 105 105 ALA H H 105 8.312 8.699 -0.387 1
1 1210 . 1 1 1 A 105 105 ALA CA C 105 52.408 50.665 1.743 1
1 1211 . 1 1 1 A 105 105 ALA HA H 105 4.327 4.686 -0.359 1
1 1212 . 1 1 1 A 105 105 ALA CB C 105 19.416 19.216 0.200 1
1 1216 . 1 1 1 A 105 105 ALA C C 105 176.902 176.070 0.832 1
1 1 . 2 1 1 A 8 8 GLY CA C 8 45.171 45.289 -0.118 1
1 2 . 2 1 1 A 8 8 GLY HA2 H 8 3.976 4.186 -0.210 1
1 3 . 2 1 1 A 8 8 GLY HA3 H 8 3.976 4.186 -0.210 1
1 4 . 2 1 1 A 8 8 GLY C C 8 173.956 172.010 1.946 1
1 5 . 2 1 1 A 9 9 ARG N N 9 120.445 120.898 -0.453 1
1 6 . 2 1 1 A 9 9 ARG H H 9 8.126 8.774 -0.648 1
1 7 . 2 1 1 A 9 9 ARG CA C 9 55.873 54.839 1.034 1
1 8 . 2 1 1 A 9 9 ARG HA H 9 4.318 5.141 -0.823 1
1 9 . 2 1 1 A 9 9 ARG CB C 9 30.899 33.283 -2.384 1
1 18 . 2 1 1 A 9 9 ARG C C 9 176.192 174.119 2.073 1
1 19 . 2 1 1 A 10 10 LEU N N 10 125.156 125.217 -0.061 1
1 20 . 2 1 1 A 10 10 LEU H H 10 8.357 8.994 -0.637 1
1 21 . 2 1 1 A 10 10 LEU CA C 10 53.058 50.969 2.089 1
1 22 . 2 1 1 A 10 10 LEU HA H 10 4.589 4.811 -0.222 1
1 23 . 2 1 1 A 10 10 LEU CB C 10 41.599 45.486 -3.887 1
1 36 . 2 1 1 A 10 10 LEU C C 10 175.327 174.987 0.340 1
1 37 . 2 1 1 A 11 11 PRO CA C 11 63.064 62.434 0.630 1
1 38 . 2 1 1 A 11 11 PRO HA H 11 4.416 4.584 -0.168 1
1 39 . 2 1 1 A 11 11 PRO CB C 11 32.095 33.164 -1.069 1
1 48 . 2 1 1 A 13 13 LYS CA C 13 56.353 54.487 1.866 1
1 49 . 2 1 1 A 13 13 LYS HA H 13 4.383 4.925 -0.542 1
1 50 . 2 1 1 A 13 13 LYS CB C 13 33.019 36.270 -3.251 1
1 62 . 2 1 1 A 13 13 LYS C C 13 176.694 174.716 1.978 1
1 63 . 2 1 1 A 14 14 THR N N 14 115.691 115.662 0.029 1
1 64 . 2 1 1 A 14 14 THR H H 14 8.140 8.706 -0.566 1
1 65 . 2 1 1 A 14 14 THR CA C 14 61.919 60.413 1.506 1
1 66 . 2 1 1 A 14 14 THR HA H 14 4.265 5.173 -0.908 1
1 67 . 2 1 1 A 14 14 THR CB C 14 69.860 71.354 -1.494 1
1 73 . 2 1 1 A 14 14 THR C C 14 174.261 172.920 1.341 1
1 74 . 2 1 1 A 15 15 LYS N N 15 124.645 128.015 -3.370 1
1 75 . 2 1 1 A 15 15 LYS H H 15 8.323 8.530 -0.207 1
1 76 . 2 1 1 A 15 15 LYS CA C 15 56.226 55.904 0.322 1
1 77 . 2 1 1 A 15 15 LYS HA H 15 4.278 4.714 -0.436 1
1 78 . 2 1 1 A 15 15 LYS CB C 15 33.220 36.805 -3.585 1
1 90 . 2 1 1 A 15 15 LYS C C 15 175.921 174.157 1.764 1
1 91 . 2 1 1 A 16 16 LYS N N 16 123.830 125.217 -1.387 1
1 92 . 2 1 1 A 16 16 LYS H H 16 8.332 8.731 -0.399 1
1 93 . 2 1 1 A 16 16 LYS CA C 16 55.966 54.800 1.166 1
1 94 . 2 1 1 A 16 16 LYS HA H 16 4.192 5.385 -1.193 1
1 95 . 2 1 1 A 16 16 LYS CB C 16 33.028 36.295 -3.267 1
1 107 . 2 1 1 A 16 16 LYS C C 16 175.334 174.799 0.535 1
1 108 . 2 1 1 A 17 17 GLU N N 17 121.077 124.736 -3.659 1
1 109 . 2 1 1 A 17 17 GLU H H 17 7.931 8.679 -0.748 1
1 110 . 2 1 1 A 17 17 GLU CA C 17 55.463 54.197 1.266 1
1 111 . 2 1 1 A 17 17 GLU HA H 17 4.300 4.699 -0.399 1
1 112 . 2 1 1 A 17 17 GLU CB C 17 31.984 34.087 -2.103 1
1 118 . 2 1 1 A 17 17 GLU C C 17 174.646 176.198 -1.552 1
1 119 . 2 1 1 A 18 18 PHE N N 18 121.605 119.456 2.149 1
1 120 . 2 1 1 A 18 18 PHE H H 18 8.560 8.538 0.022 1
1 121 . 2 1 1 A 18 18 PHE CA C 18 56.963 58.986 -2.023 1
1 122 . 2 1 1 A 18 18 PHE HA H 18 4.675 4.689 -0.014 1
1 123 . 2 1 1 A 18 18 PHE CB C 18 39.653 39.794 -0.141 1
1 134 . 2 1 1 A 18 18 PHE C C 18 173.933 176.230 -2.297 1
1 135 . 2 1 1 A 19 19 ILE N N 19 123.977 120.622 3.355 1
1 136 . 2 1 1 A 19 19 ILE H H 19 8.425 8.787 -0.362 1
1 137 . 2 1 1 A 19 19 ILE CA C 19 59.740 59.660 0.080 1
1 138 . 2 1 1 A 19 19 ILE HA H 19 4.654 5.038 -0.384 1
1 139 . 2 1 1 A 19 19 ILE CB C 19 41.000 41.682 -0.682 1
1 152 . 2 1 1 A 19 19 ILE C C 19 175.584 174.834 0.750 1
1 153 . 2 1 1 A 20 20 CYS N N 20 129.741 127.367 2.374 1
1 154 . 2 1 1 A 20 20 CYS H H 20 9.224 9.235 -0.011 1
1 155 . 2 1 1 A 20 20 CYS CA C 20 59.974 59.381 0.593 1
1 156 . 2 1 1 A 20 20 CYS HA H 20 4.827 4.495 0.332 1
1 157 . 2 1 1 A 20 20 CYS CB C 20 30.335 28.776 1.559 1
1 160 . 2 1 1 A 20 20 CYS C C 20 178.043 175.265 2.778 1
1 161 . 2 1 1 A 21 21 LYS N N 21 132.598 122.184 10.414 1
1 162 . 2 1 1 A 21 21 LYS H H 21 9.473 8.538 0.935 1
1 163 . 2 1 1 A 21 21 LYS CA C 21 58.099 56.740 1.359 1
1 164 . 2 1 1 A 21 21 LYS HA H 21 4.104 4.566 -0.462 1
1 165 . 2 1 1 A 21 21 LYS CB C 21 31.695 34.587 -2.892 1
1 177 . 2 1 1 A 21 21 LYS C C 21 175.765 178.217 -2.452 1
1 178 . 2 1 1 A 22 22 PHE N N 22 121.000 118.204 2.796 1
1 179 . 2 1 1 A 22 22 PHE H H 22 9.158 8.270 0.888 1
1 180 . 2 1 1 A 22 22 PHE CA C 22 59.743 59.838 -0.095 1
1 181 . 2 1 1 A 22 22 PHE HA H 22 4.394 4.127 0.267 1
1 182 . 2 1 1 A 22 22 PHE CB C 22 37.953 37.375 0.578 1
1 195 . 2 1 1 A 22 22 PHE C C 22 176.819 177.473 -0.654 1
1 196 . 2 1 1 A 23 23 CYS N N 23 115.955 113.644 2.311 1
1 197 . 2 1 1 A 23 23 CYS H H 23 8.410 8.032 0.378 1
1 198 . 2 1 1 A 23 23 CYS CA C 23 58.486 59.672 -1.186 1
1 199 . 2 1 1 A 23 23 CYS HA H 23 5.262 4.705 0.557 1
1 200 . 2 1 1 A 23 23 CYS CB C 23 33.092 30.113 2.979 1
1 203 . 2 1 1 A 23 23 CYS C C 23 176.770 175.725 1.045 1
1 204 . 2 1 1 A 24 24 GLY N N 24 112.575 110.982 1.593 1
1 205 . 2 1 1 A 24 24 GLY H H 24 8.092 8.358 -0.266 1
1 206 . 2 1 1 A 24 24 GLY CA C 24 46.302 46.630 -0.328 1
1 207 . 2 1 1 A 24 24 GLY HA2 H 24 4.238 3.959 0.279 1
1 208 . 2 1 1 A 24 24 GLY HA3 H 24 3.776 3.963 -0.187 1
1 209 . 2 1 1 A 24 24 GLY C C 24 173.621 174.272 -0.651 1
1 210 . 2 1 1 A 25 25 ARG N N 25 122.678 120.101 2.577 1
1 211 . 2 1 1 A 25 25 ARG H H 25 8.079 7.819 0.260 1
1 212 . 2 1 1 A 25 25 ARG CA C 25 58.063 54.599 3.464 1
1 213 . 2 1 1 A 25 25 ARG HA H 25 4.096 4.815 -0.719 1
1 214 . 2 1 1 A 25 25 ARG CB C 25 31.628 33.197 -1.569 1
1 223 . 2 1 1 A 25 25 ARG C C 25 174.641 174.820 -0.179 1
1 224 . 2 1 1 A 26 26 HIS N N 26 121.510 124.250 -2.740 1
1 225 . 2 1 1 A 26 26 HIS H H 26 8.454 9.113 -0.659 1
1 226 . 2 1 1 A 26 26 HIS CA C 26 55.553 55.388 0.165 1
1 227 . 2 1 1 A 26 26 HIS HA H 26 5.166 5.304 -0.138 1
1 228 . 2 1 1 A 26 26 HIS CB C 26 32.066 31.995 0.071 1
1 235 . 2 1 1 A 26 26 HIS C C 26 174.732 174.824 -0.092 1
1 236 . 2 1 1 A 27 27 PHE N N 27 119.065 119.973 -0.908 1
1 237 . 2 1 1 A 27 27 PHE H H 27 9.035 8.620 0.415 1
1 238 . 2 1 1 A 27 27 PHE CA C 27 57.515 56.609 0.906 1
1 239 . 2 1 1 A 27 27 PHE HA H 27 4.724 4.932 -0.208 1
1 240 . 2 1 1 A 27 27 PHE CB C 27 43.276 43.536 -0.260 1
1 253 . 2 1 1 A 27 27 PHE C C 27 175.205 175.890 -0.685 1
1 254 . 2 1 1 A 28 28 THR CA C 28 62.856 65.576 -2.720 1
1 255 . 2 1 1 A 28 28 THR HA H 28 4.691 4.299 0.392 1
1 256 . 2 1 1 A 28 28 THR CB C 28 69.897 68.874 1.023 1
1 262 . 2 1 1 A 28 28 THR C C 28 174.714 174.753 -0.039 1
1 263 . 2 1 1 A 29 29 LYS N N 29 118.993 121.173 -2.180 1
1 264 . 2 1 1 A 29 29 LYS H H 29 7.456 8.018 -0.562 1
1 265 . 2 1 1 A 29 29 LYS CA C 29 54.239 54.794 -0.555 1
1 266 . 2 1 1 A 29 29 LYS HA H 29 4.573 4.694 -0.121 1
1 267 . 2 1 1 A 29 29 LYS CB C 29 35.412 33.975 1.437 1
1 279 . 2 1 1 A 29 29 LYS C C 29 176.395 177.631 -1.236 1
1 280 . 2 1 1 A 30 30 SER CA C 30 60.921 61.449 -0.528 1
1 281 . 2 1 1 A 30 30 SER HA H 30 3.025 4.397 -1.372 1
1 282 . 2 1 1 A 30 30 SER CB C 30 61.703 62.865 -1.162 1
1 285 . 2 1 1 A 31 31 TYR CA C 31 60.807 61.325 -0.518 1
1 286 . 2 1 1 A 31 31 TYR HA H 31 4.101 4.203 -0.102 1
1 287 . 2 1 1 A 31 31 TYR CB C 31 38.408 38.554 -0.146 1
1 298 . 2 1 1 A 31 31 TYR C C 31 176.455 177.818 -1.363 1
1 299 . 2 1 1 A 32 32 ASN N N 32 114.304 118.157 -3.853 1
1 300 . 2 1 1 A 32 32 ASN H H 32 6.481 8.480 -1.999 1
1 301 . 2 1 1 A 32 32 ASN CA C 32 55.198 56.644 -1.446 1
1 302 . 2 1 1 A 32 32 ASN HA H 32 4.283 4.551 -0.268 1
1 303 . 2 1 1 A 32 32 ASN CB C 32 37.912 38.466 -0.554 1
1 309 . 2 1 1 A 32 32 ASN C C 32 177.633 178.191 -0.558 1
1 310 . 2 1 1 A 33 33 LEU N N 33 121.854 120.932 0.922 1
1 311 . 2 1 1 A 33 33 LEU H H 33 7.002 7.310 -0.308 1
1 312 . 2 1 1 A 33 33 LEU CA C 33 57.820 57.596 0.224 1
1 313 . 2 1 1 A 33 33 LEU HA H 33 2.922 2.814 0.108 1
1 314 . 2 1 1 A 33 33 LEU CB C 33 40.350 41.530 -1.180 1
1 327 . 2 1 1 A 33 33 LEU C C 33 176.900 178.121 -1.221 1
1 328 . 2 1 1 A 34 34 LEU N N 34 120.140 116.984 3.156 1
1 329 . 2 1 1 A 34 34 LEU H H 34 7.795 7.830 -0.035 1
1 330 . 2 1 1 A 34 34 LEU CA C 34 58.506 57.975 0.531 1
1 331 . 2 1 1 A 34 34 LEU HA H 34 3.933 3.968 -0.035 1
1 332 . 2 1 1 A 34 34 LEU CB C 34 41.523 41.359 0.164 1
1 345 . 2 1 1 A 34 34 LEU C C 34 179.914 178.836 1.078 1
1 346 . 2 1 1 A 35 35 ILE N N 35 116.693 120.704 -4.011 1
1 347 . 2 1 1 A 35 35 ILE H H 35 7.368 7.812 -0.444 1
1 348 . 2 1 1 A 35 35 ILE CA C 35 63.641 65.407 -1.766 1
1 349 . 2 1 1 A 35 35 ILE HA H 35 3.533 3.567 -0.034 1
1 350 . 2 1 1 A 35 35 ILE CB C 35 37.380 37.976 -0.596 1
1 363 . 2 1 1 A 35 35 ILE C C 35 178.700 178.099 0.601 1
1 364 . 2 1 1 A 36 36 HIS N N 36 119.039 119.650 -0.611 1
1 365 . 2 1 1 A 36 36 HIS H H 36 7.424 7.907 -0.483 1
1 366 . 2 1 1 A 36 36 HIS CA C 36 59.486 60.378 -0.892 1
1 367 . 2 1 1 A 36 36 HIS HA H 36 4.282 4.187 0.095 1
1 368 . 2 1 1 A 36 36 HIS CB C 36 28.563 29.756 -1.193 1
1 375 . 2 1 1 A 36 36 HIS C C 36 178.907 177.326 1.581 1
1 376 . 2 1 1 A 37 37 GLU N N 37 122.627 117.242 5.385 1
1 377 . 2 1 1 A 37 37 GLU H H 37 9.459 7.995 1.464 1
1 378 . 2 1 1 A 37 37 GLU CA C 37 61.473 59.903 1.570 1
1 379 . 2 1 1 A 37 37 GLU HA H 37 3.922 3.782 0.140 1
1 380 . 2 1 1 A 37 37 GLU CB C 37 30.028 29.098 0.930 1
1 386 . 2 1 1 A 37 37 GLU C C 37 178.840 179.185 -0.345 1
1 387 . 2 1 1 A 38 38 ARG N N 38 116.143 119.721 -3.578 1
1 388 . 2 1 1 A 38 38 ARG H H 38 7.244 7.828 -0.584 1
1 389 . 2 1 1 A 38 38 ARG CA C 38 58.258 58.683 -0.425 1
1 390 . 2 1 1 A 38 38 ARG HA H 38 4.129 4.044 0.085 1
1 391 . 2 1 1 A 38 38 ARG CB C 38 30.054 29.879 0.175 1
1 400 . 2 1 1 A 38 38 ARG C C 38 177.863 179.086 -1.223 1
1 401 . 2 1 1 A 39 39 THR N N 39 109.313 115.046 -5.733 1
1 402 . 2 1 1 A 39 39 THR H H 39 7.639 8.094 -0.455 1
1 403 . 2 1 1 A 39 39 THR CA C 39 63.892 64.632 -0.740 1
1 404 . 2 1 1 A 39 39 THR HA H 39 4.075 3.927 0.148 1
1 405 . 2 1 1 A 39 39 THR CB C 39 69.337 68.775 0.562 1
1 411 . 2 1 1 A 39 39 THR C C 39 175.843 176.068 -0.225 1
1 412 . 2 1 1 A 40 40 HIS N N 40 119.019 117.231 1.788 1
1 413 . 2 1 1 A 40 40 HIS H H 40 7.046 7.315 -0.269 1
1 414 . 2 1 1 A 40 40 HIS CA C 40 55.942 59.285 -3.343 1
1 415 . 2 1 1 A 40 40 HIS HA H 40 4.410 4.128 0.282 1
1 416 . 2 1 1 A 40 40 HIS CB C 40 27.446 30.333 -2.887 1
1 423 . 2 1 1 A 40 40 HIS C C 40 175.528 175.378 0.150 1
1 424 . 2 1 1 A 41 41 THR N N 41 111.847 111.489 0.358 1
1 425 . 2 1 1 A 41 41 THR H H 41 7.579 7.315 0.264 1
1 426 . 2 1 1 A 41 41 THR CA C 41 62.200 61.913 0.287 1
1 427 . 2 1 1 A 41 41 THR HA H 41 4.152 4.051 0.101 1
1 428 . 2 1 1 A 41 41 THR CB C 41 69.440 68.506 0.934 1
1 434 . 2 1 1 A 41 41 THR C C 41 174.484 174.400 0.084 1
1 435 . 2 1 1 A 42 42 ASP N N 42 122.207 125.622 -3.415 1
1 436 . 2 1 1 A 42 42 ASP H H 42 8.191 8.490 -0.299 1
1 437 . 2 1 1 A 42 42 ASP CA C 42 54.373 53.603 0.770 1
1 438 . 2 1 1 A 42 42 ASP HA H 42 4.524 4.951 -0.427 1
1 439 . 2 1 1 A 42 42 ASP CB C 42 41.045 41.343 -0.298 1
1 442 . 2 1 1 A 42 42 ASP C C 42 175.869 176.690 -0.821 1
1 443 . 2 1 1 A 43 43 GLU N N 43 120.562 118.514 2.048 1
1 444 . 2 1 1 A 43 43 GLU H H 43 8.064 8.042 0.022 1
1 445 . 2 1 1 A 43 43 GLU CA C 43 57.378 58.076 -0.698 1
1 446 . 2 1 1 A 43 43 GLU HA H 43 4.098 4.164 -0.066 1
1 447 . 2 1 1 A 43 43 GLU CB C 43 30.262 30.196 0.066 1
1 453 . 2 1 1 A 43 43 GLU C C 43 176.313 176.773 -0.460 1
1 454 . 2 1 1 A 44 44 ARG N N 44 120.015 119.737 0.278 1
1 455 . 2 1 1 A 44 44 ARG H H 44 8.190 7.735 0.455 1
1 456 . 2 1 1 A 44 44 ARG CA C 44 53.266 53.948 -0.682 1
1 457 . 2 1 1 A 44 44 ARG HA H 44 4.533 4.843 -0.310 1
1 458 . 2 1 1 A 44 44 ARG CB C 44 30.702 30.759 -0.057 1
1 467 . 2 1 1 A 44 44 ARG C C 44 173.360 174.535 -1.175 1
1 468 . 2 1 1 A 45 45 PRO CA C 45 63.459 64.556 -1.097 1
1 469 . 2 1 1 A 45 45 PRO HA H 45 4.298 4.471 -0.173 1
1 470 . 2 1 1 A 45 45 PRO CB C 45 32.219 31.751 0.468 1
1 479 . 2 1 1 A 45 45 PRO C C 45 176.492 176.453 0.039 1
1 480 . 2 1 1 A 46 46 TYR N N 46 119.184 117.535 1.649 1
1 481 . 2 1 1 A 46 46 TYR H H 46 7.840 8.224 -0.384 1
1 482 . 2 1 1 A 46 46 TYR CA C 46 57.533 56.800 0.733 1
1 483 . 2 1 1 A 46 46 TYR HA H 46 4.757 4.764 -0.007 1
1 484 . 2 1 1 A 46 46 TYR CB C 46 38.646 36.233 2.413 1
1 495 . 2 1 1 A 46 46 TYR C C 46 175.414 175.215 0.199 1
1 496 . 2 1 1 A 47 47 THR N N 47 117.631 116.302 1.329 1
1 497 . 2 1 1 A 47 47 THR H H 47 8.607 7.633 0.974 1
1 498 . 2 1 1 A 47 47 THR CA C 47 60.593 61.863 -1.270 1
1 499 . 2 1 1 A 47 47 THR HA H 47 5.130 4.941 0.189 1
1 500 . 2 1 1 A 47 47 THR CB C 47 71.076 69.733 1.343 1
1 506 . 2 1 1 A 47 47 THR C C 47 173.697 174.106 -0.409 1
1 507 . 2 1 1 A 48 48 CYS N N 48 127.009 126.183 0.826 1
1 508 . 2 1 1 A 48 48 CYS H H 48 9.072 8.598 0.474 1
1 509 . 2 1 1 A 48 48 CYS CA C 48 60.153 59.164 0.989 1
1 510 . 2 1 1 A 48 48 CYS HA H 48 4.422 4.565 -0.143 1
1 511 . 2 1 1 A 48 48 CYS CB C 48 29.832 28.836 0.996 1
1 514 . 2 1 1 A 48 48 CYS C C 48 176.023 174.872 1.151 1
1 515 . 2 1 1 A 49 49 ASP N N 49 129.691 123.934 5.757 1
1 516 . 2 1 1 A 49 49 ASP H H 49 9.129 9.200 -0.071 1
1 517 . 2 1 1 A 49 49 ASP CA C 49 55.499 56.033 -0.534 1
1 518 . 2 1 1 A 49 49 ASP HA H 49 4.353 4.814 -0.461 1
1 519 . 2 1 1 A 49 49 ASP CB C 49 39.656 42.621 -2.965 1
1 522 . 2 1 1 A 49 49 ASP C C 49 175.094 176.734 -1.640 1
1 523 . 2 1 1 A 50 50 ILE N N 50 121.649 116.555 5.094 1
1 524 . 2 1 1 A 50 50 ILE H H 50 8.661 7.718 0.943 1
1 525 . 2 1 1 A 50 50 ILE CA C 50 62.888 63.035 -0.147 1
1 526 . 2 1 1 A 50 50 ILE HA H 50 3.837 4.150 -0.313 1
1 527 . 2 1 1 A 50 50 ILE CB C 50 38.652 38.604 0.048 1
1 540 . 2 1 1 A 50 50 ILE C C 50 176.439 177.888 -1.449 1
1 541 . 2 1 1 A 51 51 CYS N N 51 116.341 117.642 -1.301 1
1 542 . 2 1 1 A 51 51 CYS H H 51 7.973 7.905 0.068 1
1 543 . 2 1 1 A 51 51 CYS CA C 51 58.192 59.677 -1.485 1
1 544 . 2 1 1 A 51 51 CYS HA H 51 4.922 4.498 0.424 1
1 545 . 2 1 1 A 51 51 CYS CB C 51 32.086 28.058 4.028 1
1 548 . 2 1 1 A 51 51 CYS C C 51 175.814 175.000 0.814 1
1 549 . 2 1 1 A 52 52 HIS N N 52 116.961 115.654 1.307 1
1 550 . 2 1 1 A 52 52 HIS H H 52 7.714 8.307 -0.593 1
1 551 . 2 1 1 A 52 52 HIS CA C 52 58.187 56.379 1.808 1
1 552 . 2 1 1 A 52 52 HIS HA H 52 4.521 4.212 0.309 1
1 553 . 2 1 1 A 52 52 HIS CB C 52 27.079 27.185 -0.106 1
1 560 . 2 1 1 A 52 52 HIS C C 52 174.215 174.542 -0.327 1
1 561 . 2 1 1 A 53 53 LYS N N 53 122.651 118.610 4.041 1
1 562 . 2 1 1 A 53 53 LYS H H 53 7.902 7.728 0.174 1
1 563 . 2 1 1 A 53 53 LYS CA C 53 58.205 56.038 2.167 1
1 564 . 2 1 1 A 53 53 LYS HA H 53 4.051 4.275 -0.224 1
1 565 . 2 1 1 A 53 53 LYS CB C 53 33.868 33.688 0.180 1
1 577 . 2 1 1 A 53 53 LYS C C 53 173.816 175.787 -1.971 1
1 578 . 2 1 1 A 54 54 ALA N N 54 124.589 121.914 2.675 1
1 579 . 2 1 1 A 54 54 ALA H H 54 7.885 8.271 -0.386 1
1 580 . 2 1 1 A 54 54 ALA CA C 54 50.573 49.998 0.575 1
1 581 . 2 1 1 A 54 54 ALA HA H 54 5.098 5.792 -0.694 1
1 582 . 2 1 1 A 54 54 ALA CB C 54 22.290 21.906 0.384 1
1 586 . 2 1 1 A 54 54 ALA C C 54 176.763 176.176 0.587 1
1 587 . 2 1 1 A 55 55 PHE N N 55 117.946 118.470 -0.524 1
1 588 . 2 1 1 A 55 55 PHE H H 55 9.044 8.919 0.125 1
1 589 . 2 1 1 A 55 55 PHE CA C 55 57.320 56.649 0.671 1
1 590 . 2 1 1 A 55 55 PHE HA H 55 4.724 4.941 -0.217 1
1 591 . 2 1 1 A 55 55 PHE CB C 55 43.710 44.034 -0.324 1
1 604 . 2 1 1 A 55 55 PHE C C 55 175.251 175.027 0.224 1
1 605 . 2 1 1 A 56 56 ARG N N 56 119.843 121.646 -1.803 1
1 606 . 2 1 1 A 56 56 ARG H H 56 9.587 8.810 0.777 1
1 607 . 2 1 1 A 56 56 ARG CA C 56 58.117 56.709 1.408 1
1 608 . 2 1 1 A 56 56 ARG HA H 56 4.603 3.833 0.770 1
1 609 . 2 1 1 A 56 56 ARG CB C 56 31.741 31.789 -0.048 1
1 618 . 2 1 1 A 56 56 ARG C C 56 176.201 175.760 0.441 1
1 619 . 2 1 1 A 57 57 ARG N N 57 113.134 119.243 -6.109 1
1 620 . 2 1 1 A 57 57 ARG H H 57 7.273 7.451 -0.178 1
1 621 . 2 1 1 A 57 57 ARG CA C 57 53.978 55.379 -1.401 1
1 622 . 2 1 1 A 57 57 ARG HA H 57 4.650 4.397 0.253 1
1 623 . 2 1 1 A 57 57 ARG CB C 57 34.701 30.484 4.217 1
1 632 . 2 1 1 A 57 57 ARG C C 57 176.296 177.222 -0.926 1
1 633 . 2 1 1 A 58 58 GLN N N 58 124.070 122.775 1.295 1
1 634 . 2 1 1 A 58 58 GLN H H 58 8.583 8.809 -0.226 1
1 635 . 2 1 1 A 58 58 GLN CA C 58 59.036 59.594 -0.558 1
1 636 . 2 1 1 A 58 58 GLN HA H 58 3.004 4.018 -1.014 1
1 637 . 2 1 1 A 58 58 GLN CB C 58 28.229 28.592 -0.363 1
1 646 . 2 1 1 A 58 58 GLN C C 58 177.925 177.511 0.414 1
1 647 . 2 1 1 A 59 59 ASP CA C 59 56.406 57.423 -1.017 1
1 648 . 2 1 1 A 59 59 ASP HA H 59 4.046 4.343 -0.297 1
1 649 . 2 1 1 A 59 59 ASP CB C 59 38.248 40.441 -2.193 1
1 652 . 2 1 1 A 59 59 ASP C C 59 177.698 179.235 -1.537 1
1 653 . 2 1 1 A 60 60 HIS N N 60 119.173 118.499 0.674 1
1 654 . 2 1 1 A 60 60 HIS H H 60 6.954 8.071 -1.117 1
1 655 . 2 1 1 A 60 60 HIS CA C 60 56.843 59.547 -2.704 1
1 656 . 2 1 1 A 60 60 HIS HA H 60 4.432 4.357 0.075 1
1 657 . 2 1 1 A 60 60 HIS CB C 60 31.752 29.838 1.914 1
1 664 . 2 1 1 A 60 60 HIS C C 60 178.617 178.098 0.519 1
1 665 . 2 1 1 A 61 61 LEU N N 61 120.844 120.708 0.136 1
1 666 . 2 1 1 A 61 61 LEU H H 61 6.979 8.074 -1.095 1
1 667 . 2 1 1 A 61 61 LEU CA C 61 57.728 57.276 0.452 1
1 668 . 2 1 1 A 61 61 LEU HA H 61 3.145 3.095 0.050 1
1 669 . 2 1 1 A 61 61 LEU CB C 61 40.153 41.424 -1.271 1
1 682 . 2 1 1 A 61 61 LEU C C 61 176.855 178.687 -1.832 1
1 683 . 2 1 1 A 62 62 ARG N N 62 120.225 120.122 0.103 1
1 684 . 2 1 1 A 62 62 ARG H H 62 8.012 8.296 -0.284 1
1 685 . 2 1 1 A 62 62 ARG CA C 62 59.526 59.343 0.183 1
1 686 . 2 1 1 A 62 62 ARG HA H 62 3.724 4.028 -0.304 1
1 687 . 2 1 1 A 62 62 ARG CB C 62 29.388 30.170 -0.782 1
1 696 . 2 1 1 A 62 62 ARG C C 62 178.582 178.817 -0.235 1
1 697 . 2 1 1 A 63 63 ASP N N 63 117.219 120.170 -2.951 1
1 698 . 2 1 1 A 63 63 ASP H H 63 7.823 8.647 -0.824 1
1 699 . 2 1 1 A 63 63 ASP CA C 63 56.694 56.693 0.001 1
1 700 . 2 1 1 A 63 63 ASP HA H 63 4.401 4.448 -0.047 1
1 701 . 2 1 1 A 63 63 ASP CB C 63 40.226 40.859 -0.633 1
1 704 . 2 1 1 A 63 63 ASP C C 63 178.560 178.464 0.096 1
1 705 . 2 1 1 A 64 64 HIS N N 64 119.185 121.099 -1.914 1
1 706 . 2 1 1 A 64 64 HIS H H 64 7.606 8.064 -0.458 1
1 707 . 2 1 1 A 64 64 HIS CA C 64 58.772 59.628 -0.856 1
1 708 . 2 1 1 A 64 64 HIS HA H 64 4.211 4.131 0.080 1
1 709 . 2 1 1 A 64 64 HIS CB C 64 28.533 29.466 -0.933 1
1 716 . 2 1 1 A 64 64 HIS C C 64 176.334 176.984 -0.650 1
1 717 . 2 1 1 A 65 65 ARG N N 65 116.490 117.676 -1.186 1
1 718 . 2 1 1 A 65 65 ARG H H 65 8.157 8.321 -0.164 1
1 719 . 2 1 1 A 65 65 ARG CA C 65 59.666 58.585 1.081 1
1 720 . 2 1 1 A 65 65 ARG HA H 65 3.576 3.984 -0.408 1
1 721 . 2 1 1 A 65 65 ARG CB C 65 29.958 29.674 0.284 1
1 730 . 2 1 1 A 65 65 ARG C C 65 178.301 177.842 0.459 1
1 731 . 2 1 1 A 66 66 TYR N N 66 117.286 121.072 -3.786 1
1 732 . 2 1 1 A 66 66 TYR H H 66 7.169 7.925 -0.756 1
1 733 . 2 1 1 A 66 66 TYR CA C 66 60.186 60.975 -0.789 1
1 734 . 2 1 1 A 66 66 TYR HA H 66 4.339 4.041 0.298 1
1 735 . 2 1 1 A 66 66 TYR CB C 66 37.960 38.944 -0.984 1
1 746 . 2 1 1 A 66 66 TYR C C 66 178.191 177.790 0.401 1
1 747 . 2 1 1 A 67 67 ILE N N 67 117.609 113.940 3.669 1
1 748 . 2 1 1 A 67 67 ILE H H 67 7.883 7.843 0.040 1
1 749 . 2 1 1 A 67 67 ILE CA C 67 63.440 64.128 -0.688 1
1 750 . 2 1 1 A 67 67 ILE HA H 67 3.836 3.827 0.009 1
1 751 . 2 1 1 A 67 67 ILE CB C 67 37.482 36.937 0.545 1
1 764 . 2 1 1 A 67 67 ILE C C 67 177.511 176.362 1.149 1
1 765 . 2 1 1 A 68 68 HIS N N 68 116.764 122.575 -5.811 1
1 766 . 2 1 1 A 68 68 HIS H H 68 7.140 7.866 -0.726 1
1 767 . 2 1 1 A 68 68 HIS CA C 68 55.340 56.344 -1.004 1
1 768 . 2 1 1 A 68 68 HIS HA H 68 4.768 4.541 0.227 1
1 769 . 2 1 1 A 68 68 HIS CB C 68 28.687 30.479 -1.792 1
1 776 . 2 1 1 A 68 68 HIS C C 68 175.627 174.528 1.099 1
1 777 . 2 1 1 A 69 69 SER N N 69 114.870 118.968 -4.098 1
1 778 . 2 1 1 A 69 69 SER H H 69 7.731 8.918 -1.187 1
1 779 . 2 1 1 A 69 69 SER CA C 69 59.200 56.559 2.641 1
1 780 . 2 1 1 A 69 69 SER HA H 69 4.379 4.866 -0.487 1
1 781 . 2 1 1 A 69 69 SER CB C 69 63.765 64.886 -1.121 1
1 784 . 2 1 1 A 69 69 SER C C 69 174.692 172.932 1.760 1
1 785 . 2 1 1 A 70 70 LYS N N 70 121.978 127.839 -5.861 1
1 786 . 2 1 1 A 70 70 LYS H H 70 8.063 8.866 -0.803 1
1 787 . 2 1 1 A 70 70 LYS CA C 70 56.825 55.857 0.968 1
1 788 . 2 1 1 A 70 70 LYS HA H 70 4.214 4.611 -0.397 1
1 789 . 2 1 1 A 70 70 LYS CB C 70 32.539 32.708 -0.169 1
1 801 . 2 1 1 A 70 70 LYS C C 70 176.806 175.156 1.650 1
1 802 . 2 1 1 A 71 71 GLU N N 71 120.177 125.859 -5.682 1
1 803 . 2 1 1 A 71 71 GLU H H 71 8.008 8.827 -0.819 1
1 804 . 2 1 1 A 71 71 GLU CA C 71 56.472 55.829 0.643 1
1 805 . 2 1 1 A 71 71 GLU HA H 71 4.191 4.766 -0.575 1
1 806 . 2 1 1 A 71 71 GLU CB C 71 29.335 30.769 -1.434 1
1 811 . 2 1 1 A 71 71 GLU C C 71 176.040 175.882 0.158 1
1 812 . 2 1 1 A 72 72 LYS N N 72 121.800 127.881 -6.081 1
1 813 . 2 1 1 A 72 72 LYS H H 72 8.277 8.733 -0.456 1
1 814 . 2 1 1 A 72 72 LYS CA C 72 53.820 55.025 -1.205 1
1 815 . 2 1 1 A 72 72 LYS HA H 72 4.391 4.374 0.017 1
1 816 . 2 1 1 A 72 72 LYS CB C 72 32.139 31.910 0.229 1
1 828 . 2 1 1 A 72 72 LYS C C 72 174.768 176.820 -2.052 1
1 829 . 2 1 1 A 73 73 PRO CA C 73 63.978 64.362 -0.384 1
1 830 . 2 1 1 A 73 73 PRO HA H 73 4.144 4.489 -0.345 1
1 831 . 2 1 1 A 73 73 PRO CB C 73 31.953 31.965 -0.012 1
1 840 . 2 1 1 A 73 73 PRO C C 73 176.402 177.000 -0.598 1
1 841 . 2 1 1 A 74 74 PHE N N 74 117.425 115.486 1.939 1
1 842 . 2 1 1 A 74 74 PHE H H 74 7.686 8.322 -0.636 1
1 843 . 2 1 1 A 74 74 PHE CA C 74 57.020 58.639 -1.619 1
1 844 . 2 1 1 A 74 74 PHE HA H 74 4.691 4.178 0.513 1
1 845 . 2 1 1 A 74 74 PHE CB C 74 39.403 35.939 3.464 1
1 856 . 2 1 1 A 74 74 PHE C C 74 174.442 174.256 0.186 1
1 857 . 2 1 1 A 75 75 LYS N N 75 123.931 114.758 9.173 1
1 858 . 2 1 1 A 75 75 LYS H H 75 8.590 7.847 0.743 1
1 859 . 2 1 1 A 75 75 LYS CA C 75 54.951 54.869 0.082 1
1 860 . 2 1 1 A 75 75 LYS HA H 75 5.021 5.140 -0.119 1
1 861 . 2 1 1 A 75 75 LYS CB C 75 35.286 35.438 -0.152 1
1 873 . 2 1 1 A 75 75 LYS C C 75 175.465 175.275 0.190 1
1 874 . 2 1 1 A 76 76 CYS N N 76 126.279 121.811 4.468 1
1 875 . 2 1 1 A 76 76 CYS H H 76 9.149 9.019 0.130 1
1 876 . 2 1 1 A 76 76 CYS CA C 76 59.553 58.650 0.903 1
1 877 . 2 1 1 A 76 76 CYS HA H 76 4.462 4.841 -0.379 1
1 878 . 2 1 1 A 76 76 CYS CB C 76 29.772 29.335 0.437 1
1 881 . 2 1 1 A 76 76 CYS C C 76 177.367 174.578 2.789 1
1 882 . 2 1 1 A 77 77 GLN CA C 77 58.117 56.625 1.492 1
1 883 . 2 1 1 A 77 77 GLN HA H 77 4.130 4.600 -0.470 1
1 884 . 2 1 1 A 77 77 GLN CB C 77 28.479 30.097 -1.618 1
1 893 . 2 1 1 A 77 77 GLN C C 77 176.283 177.750 -1.467 1
1 894 . 2 1 1 A 78 78 GLU N N 78 120.320 119.861 0.459 1
1 895 . 2 1 1 A 78 78 GLU H H 78 8.682 8.151 0.531 1
1 896 . 2 1 1 A 78 78 GLU CA C 78 58.540 59.100 -0.560 1
1 897 . 2 1 1 A 78 78 GLU HA H 78 4.165 3.951 0.214 1
1 898 . 2 1 1 A 78 78 GLU CB C 78 29.469 28.896 0.573 1
1 904 . 2 1 1 A 78 78 GLU C C 78 177.275 178.714 -1.439 1
1 905 . 2 1 1 A 79 79 CYS N N 79 114.728 114.769 -0.041 1
1 906 . 2 1 1 A 79 79 CYS H H 79 8.018 7.753 0.265 1
1 907 . 2 1 1 A 79 79 CYS CA C 79 58.271 59.874 -1.603 1
1 908 . 2 1 1 A 79 79 CYS HA H 79 5.142 4.494 0.648 1
1 909 . 2 1 1 A 79 79 CYS CB C 79 32.339 29.193 3.146 1
1 912 . 2 1 1 A 79 79 CYS C C 79 176.280 175.730 0.550 1
1 913 . 2 1 1 A 80 80 GLY N N 80 113.675 110.429 3.246 1
1 914 . 2 1 1 A 80 80 GLY H H 80 8.133 8.069 0.064 1
1 915 . 2 1 1 A 80 80 GLY CA C 80 46.206 45.689 0.517 1
1 916 . 2 1 1 A 80 80 GLY HA2 H 80 4.213 3.865 0.348 1
1 917 . 2 1 1 A 80 80 GLY HA3 H 80 3.755 3.872 -0.117 1
1 918 . 2 1 1 A 80 80 GLY C C 80 173.619 174.773 -1.154 1
1 919 . 2 1 1 A 81 81 LYS N N 81 122.811 119.846 2.965 1
1 920 . 2 1 1 A 81 81 LYS H H 81 7.945 7.145 0.800 1
1 921 . 2 1 1 A 81 81 LYS CA C 81 58.211 56.394 1.817 1
1 922 . 2 1 1 A 81 81 LYS HA H 81 3.947 4.096 -0.149 1
1 923 . 2 1 1 A 81 81 LYS CB C 81 33.921 33.266 0.655 1
1 935 . 2 1 1 A 81 81 LYS C C 81 174.639 175.170 -0.531 1
1 936 . 2 1 1 A 82 82 GLY N N 82 108.366 108.484 -0.118 1
1 937 . 2 1 1 A 82 82 GLY H H 82 7.936 8.078 -0.142 1
1 938 . 2 1 1 A 82 82 GLY CA C 82 44.048 46.016 -1.968 1
1 939 . 2 1 1 A 82 82 GLY HA2 H 82 4.847 3.847 1.000 1
1 940 . 2 1 1 A 82 82 GLY HA3 H 82 3.291 3.956 -0.665 1
1 941 . 2 1 1 A 82 82 GLY C C 82 172.166 173.098 -0.932 1
1 942 . 2 1 1 A 83 83 PHE N N 83 117.822 117.958 -0.136 1
1 943 . 2 1 1 A 83 83 PHE H H 83 8.697 7.529 1.168 1
1 944 . 2 1 1 A 83 83 PHE CA C 83 57.338 54.967 2.371 1
1 945 . 2 1 1 A 83 83 PHE HA H 83 4.755 5.593 -0.838 1
1 946 . 2 1 1 A 83 83 PHE CB C 83 43.462 42.581 0.881 1
1 959 . 2 1 1 A 83 83 PHE C C 83 175.424 175.007 0.417 1
1 960 . 2 1 1 A 84 84 CYS CA C 84 60.706 58.074 2.632 1
1 961 . 2 1 1 A 84 84 CYS HA H 84 4.608 5.004 -0.396 1
1 962 . 2 1 1 A 84 84 CYS CB C 84 28.990 28.198 0.792 1
1 965 . 2 1 1 A 84 84 CYS C C 84 174.163 173.857 0.306 1
1 966 . 2 1 1 A 85 85 GLN N N 85 114.620 122.150 -7.530 1
1 967 . 2 1 1 A 85 85 GLN H H 85 7.326 7.630 -0.304 1
1 968 . 2 1 1 A 85 85 GLN CA C 85 54.098 54.040 0.058 1
1 969 . 2 1 1 A 85 85 GLN HA H 85 4.648 4.750 -0.102 1
1 970 . 2 1 1 A 85 85 GLN CB C 85 32.066 31.863 0.203 1
1 979 . 2 1 1 A 85 85 GLN C C 85 175.230 176.344 -1.114 1
1 980 . 2 1 1 A 86 86 SER CA C 86 61.164 60.697 0.467 1
1 981 . 2 1 1 A 86 86 SER HA H 86 3.078 4.594 -1.516 1
1 982 . 2 1 1 A 86 86 SER CB C 86 61.738 63.524 -1.786 1
1 985 . 2 1 1 A 87 87 ARG CA C 87 58.886 59.340 -0.454 1
1 986 . 2 1 1 A 87 87 ARG HA H 87 4.049 4.123 -0.074 1
1 987 . 2 1 1 A 87 87 ARG CB C 87 29.519 30.476 -0.957 1
1 996 . 2 1 1 A 87 87 ARG C C 87 177.520 178.747 -1.227 1
1 997 . 2 1 1 A 88 88 THR N N 88 112.500 117.135 -4.635 1
1 998 . 2 1 1 A 88 88 THR H H 88 6.796 8.141 -1.345 1
1 999 . 2 1 1 A 88 88 THR CA C 88 64.598 66.860 -2.262 1
1 1000 . 2 1 1 A 88 88 THR HA H 88 3.844 3.891 -0.047 1
1 1001 . 2 1 1 A 88 88 THR CB C 88 67.809 68.484 -0.675 1
1 1007 . 2 1 1 A 88 88 THR C C 88 177.343 175.849 1.494 1
1 1008 . 2 1 1 A 89 89 LEU N N 89 123.163 120.555 2.608 1
1 1009 . 2 1 1 A 89 89 LEU H H 89 6.898 7.885 -0.987 1
1 1010 . 2 1 1 A 89 89 LEU CA C 89 57.692 57.546 0.146 1
1 1011 . 2 1 1 A 89 89 LEU HA H 89 3.147 3.247 -0.100 1
1 1012 . 2 1 1 A 89 89 LEU CB C 89 40.133 41.324 -1.191 1
1 1025 . 2 1 1 A 89 89 LEU C C 89 176.886 178.686 -1.800 1
1 1026 . 2 1 1 A 90 90 ALA N N 90 120.747 121.258 -0.511 1
1 1027 . 2 1 1 A 90 90 ALA H H 90 7.837 7.640 0.197 1
1 1028 . 2 1 1 A 90 90 ALA CA C 90 55.646 55.301 0.345 1
1 1029 . 2 1 1 A 90 90 ALA HA H 90 3.914 4.015 -0.101 1
1 1030 . 2 1 1 A 90 90 ALA CB C 90 17.722 18.929 -1.207 1
1 1034 . 2 1 1 A 90 90 ALA C C 90 180.692 179.550 1.142 1
1 1035 . 2 1 1 A 91 91 VAL N N 91 117.181 116.989 0.192 1
1 1036 . 2 1 1 A 91 91 VAL H H 91 7.475 8.154 -0.679 1
1 1037 . 2 1 1 A 91 91 VAL CA C 91 65.880 64.794 1.086 1
1 1038 . 2 1 1 A 91 91 VAL HA H 91 3.662 3.823 -0.161 1
1 1039 . 2 1 1 A 91 91 VAL CB C 91 32.018 31.490 0.528 1
1 1049 . 2 1 1 A 91 91 VAL C C 91 178.708 177.145 1.563 1
1 1050 . 2 1 1 A 92 92 HIS N N 92 121.501 121.424 0.077 1
1 1051 . 2 1 1 A 92 92 HIS H H 92 7.625 8.047 -0.422 1
1 1052 . 2 1 1 A 92 92 HIS CA C 92 59.553 59.284 0.269 1
1 1053 . 2 1 1 A 92 92 HIS HA H 92 4.095 4.233 -0.138 1
1 1054 . 2 1 1 A 92 92 HIS CB C 92 28.040 29.752 -1.712 1
1 1061 . 2 1 1 A 92 92 HIS C C 92 176.518 177.133 -0.615 1
1 1062 . 2 1 1 A 93 93 LYS N N 93 116.162 118.556 -2.394 1
1 1063 . 2 1 1 A 93 93 LYS H H 93 8.372 8.001 0.371 1
1 1064 . 2 1 1 A 93 93 LYS CA C 93 60.253 59.393 0.860 1
1 1065 . 2 1 1 A 93 93 LYS HA H 93 3.732 3.923 -0.191 1
1 1066 . 2 1 1 A 93 93 LYS CB C 93 32.158 32.537 -0.379 1
1 1078 . 2 1 1 A 93 93 LYS C C 93 179.211 178.647 0.564 1
1 1079 . 2 1 1 A 94 94 THR N N 94 111.607 114.097 -2.490 1
1 1080 . 2 1 1 A 94 94 THR H H 94 7.434 7.628 -0.194 1
1 1081 . 2 1 1 A 94 94 THR CA C 94 65.106 65.595 -0.489 1
1 1082 . 2 1 1 A 94 94 THR HA H 94 4.034 3.989 0.045 1
1 1083 . 2 1 1 A 94 94 THR CB C 94 69.075 67.969 1.106 1
1 1089 . 2 1 1 A 94 94 THR C C 94 176.406 176.789 -0.383 1
1 1090 . 2 1 1 A 95 95 LEU N N 95 121.689 122.904 -1.215 1
1 1091 . 2 1 1 A 95 95 LEU H H 95 7.725 7.957 -0.232 1
1 1092 . 2 1 1 A 95 95 LEU CA C 95 56.680 58.153 -1.473 1
1 1093 . 2 1 1 A 95 95 LEU HA H 95 4.020 3.801 0.219 1
1 1094 . 2 1 1 A 95 95 LEU CB C 95 41.186 41.392 -0.206 1
1 1107 . 2 1 1 A 95 95 LEU C C 95 178.956 178.938 0.018 1
1 1108 . 2 1 1 A 96 96 HIS N N 96 114.750 115.530 -0.780 1
1 1109 . 2 1 1 A 96 96 HIS H H 96 7.160 7.530 -0.370 1
1 1110 . 2 1 1 A 96 96 HIS CA C 96 55.206 58.580 -3.374 1
1 1111 . 2 1 1 A 96 96 HIS HA H 96 4.730 4.329 0.401 1
1 1112 . 2 1 1 A 96 96 HIS CB C 96 28.687 30.756 -2.069 1
1 1119 . 2 1 1 A 96 96 HIS C C 96 175.230 176.171 -0.941 1
1 1120 . 2 1 1 A 97 97 MET N N 97 118.984 118.250 0.734 1
1 1121 . 2 1 1 A 97 97 MET H H 97 7.626 8.332 -0.706 1
1 1122 . 2 1 1 A 97 97 MET CA C 97 55.995 55.821 0.174 1
1 1123 . 2 1 1 A 97 97 MET HA H 97 4.424 4.443 -0.019 1
1 1124 . 2 1 1 A 97 97 MET CB C 97 33.065 33.550 -0.485 1
1 1134 . 2 1 1 A 97 97 MET C C 97 176.174 175.232 0.942 1
1 1135 . 2 1 1 A 98 98 GLN N N 98 120.828 122.514 -1.686 1
1 1136 . 2 1 1 A 98 98 GLN H H 98 8.271 8.656 -0.385 1
1 1137 . 2 1 1 A 98 98 GLN CA C 98 55.951 54.071 1.880 1
1 1138 . 2 1 1 A 98 98 GLN HA H 98 4.382 5.018 -0.636 1
1 1139 . 2 1 1 A 98 98 GLN CB C 98 29.364 32.064 -2.700 1
1 1148 . 2 1 1 A 98 98 GLN C C 98 176.242 174.398 1.844 1
1 1149 . 2 1 1 A 99 99 THR N N 99 114.965 122.419 -7.454 1
1 1150 . 2 1 1 A 99 99 THR H H 99 8.200 8.964 -0.764 1
1 1151 . 2 1 1 A 99 99 THR CA C 99 61.773 61.794 -0.021 1
1 1152 . 2 1 1 A 99 99 THR HA H 99 4.374 4.914 -0.540 1
1 1153 . 2 1 1 A 99 99 THR CB C 99 69.654 70.801 -1.147 1
1 1159 . 2 1 1 A 99 99 THR C C 99 174.491 172.915 1.576 1
1 1160 . 2 1 1 A 100 100 SER N N 100 118.047 122.292 -4.245 1
1 1161 . 2 1 1 A 100 100 SER H H 100 8.311 8.791 -0.480 1
1 1162 . 2 1 1 A 100 100 SER CA C 100 58.240 57.979 0.261 1
1 1163 . 2 1 1 A 100 100 SER HA H 100 4.493 4.920 -0.427 1
1 1164 . 2 1 1 A 100 100 SER CB C 100 63.843 64.212 -0.369 1
1 1167 . 2 1 1 A 100 100 SER C C 100 174.152 174.330 -0.178 1
1 1168 . 2 1 1 A 101 101 SER N N 101 118.812 121.529 -2.717 1
1 1169 . 2 1 1 A 101 101 SER H H 101 8.358 8.793 -0.435 1
1 1170 . 2 1 1 A 101 101 SER CA C 101 56.348 56.550 -0.202 1
1 1171 . 2 1 1 A 101 101 SER HA H 101 4.773 4.940 -0.167 1
1 1172 . 2 1 1 A 101 101 SER CB C 101 63.554 63.333 0.221 1
1 1175 . 2 1 1 A 101 101 SER C C 101 172.898 172.552 0.346 1
1 1176 . 2 1 1 A 102 102 PRO CA C 102 63.453 62.369 1.084 1
1 1177 . 2 1 1 A 102 102 PRO HA H 102 4.485 4.592 -0.107 1
1 1178 . 2 1 1 A 102 102 PRO CB C 102 32.126 33.238 -1.112 1
1 1187 . 2 1 1 A 102 102 PRO C C 102 177.181 175.369 1.812 1
1 1188 . 2 1 1 A 103 103 THR N N 103 114.257 115.336 -1.079 1
1 1189 . 2 1 1 A 103 103 THR H H 103 8.188 8.620 -0.432 1
1 1190 . 2 1 1 A 103 103 THR CA C 103 61.748 61.225 0.523 1
1 1191 . 2 1 1 A 103 103 THR HA H 103 4.273 4.759 -0.486 1
1 1192 . 2 1 1 A 103 103 THR CB C 103 69.833 71.873 -2.040 1
1 1198 . 2 1 1 A 103 103 THR C C 103 174.258 172.387 1.871 1
1 1199 . 2 1 1 A 104 104 ALA N N 104 126.872 131.661 -4.789 1
1 1200 . 2 1 1 A 104 104 ALA H H 104 8.240 9.043 -0.803 1
1 1201 . 2 1 1 A 104 104 ALA CA C 104 52.369 50.199 2.170 1
1 1202 . 2 1 1 A 104 104 ALA HA H 104 4.316 5.419 -1.103 1
1 1203 . 2 1 1 A 104 104 ALA CB C 104 19.417 22.456 -3.039 1
1 1207 . 2 1 1 A 104 104 ALA C C 104 177.129 175.928 1.201 1
1 1208 . 2 1 1 A 105 105 ALA N N 105 124.353 120.436 3.917 1
1 1209 . 2 1 1 A 105 105 ALA H H 105 8.312 8.676 -0.364 1
1 1210 . 2 1 1 A 105 105 ALA CA C 105 52.408 51.299 1.109 1
1 1211 . 2 1 1 A 105 105 ALA HA H 105 4.327 4.876 -0.549 1
1 1212 . 2 1 1 A 105 105 ALA CB C 105 19.416 23.604 -4.188 1
1 1216 . 2 1 1 A 105 105 ALA C C 105 176.902 175.039 1.863 1
1 1 . 3 1 1 A 8 8 GLY CA C 8 45.171 45.816 -0.645 1
1 2 . 3 1 1 A 8 8 GLY HA2 H 8 3.976 4.221 -0.245 1
1 3 . 3 1 1 A 8 8 GLY HA3 H 8 3.976 4.221 -0.245 1
1 4 . 3 1 1 A 8 8 GLY C C 8 173.956 173.109 0.847 1
1 5 . 3 1 1 A 9 9 ARG N N 9 120.445 120.033 0.412 1
1 6 . 3 1 1 A 9 9 ARG H H 9 8.126 8.640 -0.514 1
1 7 . 3 1 1 A 9 9 ARG CA C 9 55.873 55.776 0.097 1
1 8 . 3 1 1 A 9 9 ARG HA H 9 4.318 4.497 -0.179 1
1 9 . 3 1 1 A 9 9 ARG CB C 9 30.899 31.638 -0.739 1
1 18 . 3 1 1 A 9 9 ARG C C 9 176.192 175.642 0.550 1
1 19 . 3 1 1 A 10 10 LEU N N 10 125.156 123.545 1.611 1
1 20 . 3 1 1 A 10 10 LEU H H 10 8.357 8.565 -0.208 1
1 21 . 3 1 1 A 10 10 LEU CA C 10 53.058 51.356 1.702 1
1 22 . 3 1 1 A 10 10 LEU HA H 10 4.589 4.902 -0.313 1
1 23 . 3 1 1 A 10 10 LEU CB C 10 41.599 44.910 -3.311 1
1 36 . 3 1 1 A 10 10 LEU C C 10 175.327 174.817 0.510 1
1 37 . 3 1 1 A 11 11 PRO CA C 11 63.064 62.326 0.738 1
1 38 . 3 1 1 A 11 11 PRO HA H 11 4.416 4.673 -0.257 1
1 39 . 3 1 1 A 11 11 PRO CB C 11 32.095 33.345 -1.250 1
1 48 . 3 1 1 A 13 13 LYS CA C 13 56.353 54.502 1.851 1
1 49 . 3 1 1 A 13 13 LYS HA H 13 4.383 5.405 -1.022 1
1 50 . 3 1 1 A 13 13 LYS CB C 13 33.019 36.975 -3.956 1
1 62 . 3 1 1 A 13 13 LYS C C 13 176.694 174.768 1.926 1
1 63 . 3 1 1 A 14 14 THR N N 14 115.691 114.060 1.631 1
1 64 . 3 1 1 A 14 14 THR H H 14 8.140 8.746 -0.606 1
1 65 . 3 1 1 A 14 14 THR CA C 14 61.919 61.926 -0.007 1
1 66 . 3 1 1 A 14 14 THR HA H 14 4.265 4.758 -0.493 1
1 67 . 3 1 1 A 14 14 THR CB C 14 69.860 71.103 -1.243 1
1 73 . 3 1 1 A 14 14 THR C C 14 174.261 172.501 1.760 1
1 74 . 3 1 1 A 15 15 LYS N N 15 124.645 127.791 -3.146 1
1 75 . 3 1 1 A 15 15 LYS H H 15 8.323 8.588 -0.265 1
1 76 . 3 1 1 A 15 15 LYS CA C 15 56.226 55.817 0.409 1
1 77 . 3 1 1 A 15 15 LYS HA H 15 4.278 4.620 -0.342 1
1 78 . 3 1 1 A 15 15 LYS CB C 15 33.220 36.766 -3.546 1
1 90 . 3 1 1 A 15 15 LYS C C 15 175.921 173.967 1.954 1
1 91 . 3 1 1 A 16 16 LYS N N 16 123.830 126.131 -2.301 1
1 92 . 3 1 1 A 16 16 LYS H H 16 8.332 8.578 -0.246 1
1 93 . 3 1 1 A 16 16 LYS CA C 16 55.966 54.796 1.170 1
1 94 . 3 1 1 A 16 16 LYS HA H 16 4.192 4.766 -0.574 1
1 95 . 3 1 1 A 16 16 LYS CB C 16 33.028 33.689 -0.661 1
1 107 . 3 1 1 A 16 16 LYS C C 16 175.334 175.703 -0.369 1
1 108 . 3 1 1 A 17 17 GLU N N 17 121.077 125.101 -4.024 1
1 109 . 3 1 1 A 17 17 GLU H H 17 7.931 8.724 -0.793 1
1 110 . 3 1 1 A 17 17 GLU CA C 17 55.463 55.920 -0.457 1
1 111 . 3 1 1 A 17 17 GLU HA H 17 4.300 4.158 0.142 1
1 112 . 3 1 1 A 17 17 GLU CB C 17 31.984 30.674 1.310 1
1 118 . 3 1 1 A 17 17 GLU C C 17 174.646 175.654 -1.008 1
1 119 . 3 1 1 A 18 18 PHE N N 18 121.605 122.499 -0.894 1
1 120 . 3 1 1 A 18 18 PHE H H 18 8.560 8.843 -0.283 1
1 121 . 3 1 1 A 18 18 PHE CA C 18 56.963 56.115 0.848 1
1 122 . 3 1 1 A 18 18 PHE HA H 18 4.675 5.265 -0.590 1
1 123 . 3 1 1 A 18 18 PHE CB C 18 39.653 42.084 -2.431 1
1 134 . 3 1 1 A 18 18 PHE C C 18 173.933 175.162 -1.229 1
1 135 . 3 1 1 A 19 19 ILE N N 19 123.977 120.699 3.278 1
1 136 . 3 1 1 A 19 19 ILE H H 19 8.425 8.827 -0.402 1
1 137 . 3 1 1 A 19 19 ILE CA C 19 59.740 60.066 -0.326 1
1 138 . 3 1 1 A 19 19 ILE HA H 19 4.654 4.865 -0.211 1
1 139 . 3 1 1 A 19 19 ILE CB C 19 41.000 41.523 -0.523 1
1 152 . 3 1 1 A 19 19 ILE C C 19 175.584 175.010 0.574 1
1 153 . 3 1 1 A 20 20 CYS N N 20 129.741 127.365 2.376 1
1 154 . 3 1 1 A 20 20 CYS H H 20 9.224 8.902 0.322 1
1 155 . 3 1 1 A 20 20 CYS CA C 20 59.974 59.675 0.299 1
1 156 . 3 1 1 A 20 20 CYS HA H 20 4.827 4.473 0.354 1
1 157 . 3 1 1 A 20 20 CYS CB C 20 30.335 28.929 1.406 1
1 160 . 3 1 1 A 20 20 CYS C C 20 178.043 175.729 2.314 1
1 161 . 3 1 1 A 21 21 LYS N N 21 132.598 122.854 9.744 1
1 162 . 3 1 1 A 21 21 LYS H H 21 9.473 8.472 1.001 1
1 163 . 3 1 1 A 21 21 LYS CA C 21 58.099 57.069 1.030 1
1 164 . 3 1 1 A 21 21 LYS HA H 21 4.104 4.462 -0.358 1
1 165 . 3 1 1 A 21 21 LYS CB C 21 31.695 33.814 -2.119 1
1 177 . 3 1 1 A 21 21 LYS C C 21 175.765 178.421 -2.656 1
1 178 . 3 1 1 A 22 22 PHE N N 22 121.000 118.067 2.933 1
1 179 . 3 1 1 A 22 22 PHE H H 22 9.158 7.817 1.341 1
1 180 . 3 1 1 A 22 22 PHE CA C 22 59.743 59.632 0.111 1
1 181 . 3 1 1 A 22 22 PHE HA H 22 4.394 4.191 0.203 1
1 182 . 3 1 1 A 22 22 PHE CB C 22 37.953 37.332 0.621 1
1 195 . 3 1 1 A 22 22 PHE C C 22 176.819 177.263 -0.444 1
1 196 . 3 1 1 A 23 23 CYS N N 23 115.955 113.688 2.267 1
1 197 . 3 1 1 A 23 23 CYS H H 23 8.410 7.433 0.977 1
1 198 . 3 1 1 A 23 23 CYS CA C 23 58.486 59.665 -1.179 1
1 199 . 3 1 1 A 23 23 CYS HA H 23 5.262 4.727 0.535 1
1 200 . 3 1 1 A 23 23 CYS CB C 23 33.092 30.001 3.091 1
1 203 . 3 1 1 A 23 23 CYS C C 23 176.770 175.945 0.825 1
1 204 . 3 1 1 A 24 24 GLY N N 24 112.575 110.581 1.994 1
1 205 . 3 1 1 A 24 24 GLY H H 24 8.092 8.305 -0.213 1
1 206 . 3 1 1 A 24 24 GLY CA C 24 46.302 45.818 0.484 1
1 207 . 3 1 1 A 24 24 GLY HA2 H 24 4.238 3.914 0.324 1
1 208 . 3 1 1 A 24 24 GLY HA3 H 24 3.776 3.927 -0.151 1
1 209 . 3 1 1 A 24 24 GLY C C 24 173.621 174.577 -0.956 1
1 210 . 3 1 1 A 25 25 ARG N N 25 122.678 121.909 0.769 1
1 211 . 3 1 1 A 25 25 ARG H H 25 8.079 7.506 0.573 1
1 212 . 3 1 1 A 25 25 ARG CA C 25 58.063 55.487 2.576 1
1 213 . 3 1 1 A 25 25 ARG HA H 25 4.096 4.549 -0.453 1
1 214 . 3 1 1 A 25 25 ARG CB C 25 31.628 31.510 0.118 1
1 223 . 3 1 1 A 25 25 ARG C C 25 174.641 175.275 -0.634 1
1 224 . 3 1 1 A 26 26 HIS N N 26 121.510 123.225 -1.715 1
1 225 . 3 1 1 A 26 26 HIS H H 26 8.454 8.977 -0.523 1
1 226 . 3 1 1 A 26 26 HIS CA C 26 55.553 54.600 0.953 1
1 227 . 3 1 1 A 26 26 HIS HA H 26 5.166 5.372 -0.206 1
1 228 . 3 1 1 A 26 26 HIS CB C 26 32.066 32.414 -0.348 1
1 235 . 3 1 1 A 26 26 HIS C C 26 174.732 174.096 0.636 1
1 236 . 3 1 1 A 27 27 PHE N N 27 119.065 119.559 -0.494 1
1 237 . 3 1 1 A 27 27 PHE H H 27 9.035 8.469 0.566 1
1 238 . 3 1 1 A 27 27 PHE CA C 27 57.515 56.488 1.027 1
1 239 . 3 1 1 A 27 27 PHE HA H 27 4.724 4.857 -0.133 1
1 240 . 3 1 1 A 27 27 PHE CB C 27 43.276 42.816 0.460 1
1 253 . 3 1 1 A 27 27 PHE C C 27 175.205 175.617 -0.412 1
1 254 . 3 1 1 A 28 28 THR CA C 28 62.856 63.456 -0.600 1
1 255 . 3 1 1 A 28 28 THR HA H 28 4.691 4.360 0.331 1
1 256 . 3 1 1 A 28 28 THR CB C 28 69.897 69.379 0.518 1
1 262 . 3 1 1 A 28 28 THR C C 28 174.714 173.777 0.937 1
1 263 . 3 1 1 A 29 29 LYS N N 29 118.993 122.059 -3.066 1
1 264 . 3 1 1 A 29 29 LYS H H 29 7.456 7.868 -0.412 1
1 265 . 3 1 1 A 29 29 LYS CA C 29 54.239 55.004 -0.765 1
1 266 . 3 1 1 A 29 29 LYS HA H 29 4.573 4.840 -0.267 1
1 267 . 3 1 1 A 29 29 LYS CB C 29 35.412 35.774 -0.362 1
1 279 . 3 1 1 A 29 29 LYS C C 29 176.395 176.686 -0.291 1
1 280 . 3 1 1 A 30 30 SER CA C 30 60.921 62.047 -1.126 1
1 281 . 3 1 1 A 30 30 SER HA H 30 3.025 4.518 -1.493 1
1 282 . 3 1 1 A 30 30 SER CB C 30 61.703 62.742 -1.039 1
1 285 . 3 1 1 A 31 31 TYR CA C 31 60.807 62.162 -1.355 1
1 286 . 3 1 1 A 31 31 TYR HA H 31 4.101 4.038 0.063 1
1 287 . 3 1 1 A 31 31 TYR CB C 31 38.408 38.929 -0.521 1
1 298 . 3 1 1 A 31 31 TYR C C 31 176.455 177.723 -1.268 1
1 299 . 3 1 1 A 32 32 ASN N N 32 114.304 117.817 -3.513 1
1 300 . 3 1 1 A 32 32 ASN H H 32 6.481 8.490 -2.009 1
1 301 . 3 1 1 A 32 32 ASN CA C 32 55.198 56.516 -1.318 1
1 302 . 3 1 1 A 32 32 ASN HA H 32 4.283 4.608 -0.325 1
1 303 . 3 1 1 A 32 32 ASN CB C 32 37.912 40.188 -2.276 1
1 309 . 3 1 1 A 32 32 ASN C C 32 177.633 177.433 0.200 1
1 310 . 3 1 1 A 33 33 LEU N N 33 121.854 120.163 1.691 1
1 311 . 3 1 1 A 33 33 LEU H H 33 7.002 7.937 -0.935 1
1 312 . 3 1 1 A 33 33 LEU CA C 33 57.820 57.589 0.231 1
1 313 . 3 1 1 A 33 33 LEU HA H 33 2.922 2.895 0.027 1
1 314 . 3 1 1 A 33 33 LEU CB C 33 40.350 41.326 -0.976 1
1 327 . 3 1 1 A 33 33 LEU C C 33 176.900 178.148 -1.248 1
1 328 . 3 1 1 A 34 34 LEU N N 34 120.140 116.332 3.808 1
1 329 . 3 1 1 A 34 34 LEU H H 34 7.795 7.401 0.394 1
1 330 . 3 1 1 A 34 34 LEU CA C 34 58.506 57.944 0.562 1
1 331 . 3 1 1 A 34 34 LEU HA H 34 3.933 3.893 0.040 1
1 332 . 3 1 1 A 34 34 LEU CB C 34 41.523 41.288 0.235 1
1 345 . 3 1 1 A 34 34 LEU C C 34 179.914 179.328 0.586 1
1 346 . 3 1 1 A 35 35 ILE N N 35 116.693 119.726 -3.033 1
1 347 . 3 1 1 A 35 35 ILE H H 35 7.368 7.890 -0.522 1
1 348 . 3 1 1 A 35 35 ILE CA C 35 63.641 64.644 -1.003 1
1 349 . 3 1 1 A 35 35 ILE HA H 35 3.533 3.679 -0.146 1
1 350 . 3 1 1 A 35 35 ILE CB C 35 37.380 37.707 -0.327 1
1 363 . 3 1 1 A 35 35 ILE C C 35 178.700 178.440 0.260 1
1 364 . 3 1 1 A 36 36 HIS N N 36 119.039 121.284 -2.245 1
1 365 . 3 1 1 A 36 36 HIS H H 36 7.424 7.744 -0.320 1
1 366 . 3 1 1 A 36 36 HIS CA C 36 59.486 59.139 0.347 1
1 367 . 3 1 1 A 36 36 HIS HA H 36 4.282 4.287 -0.005 1
1 368 . 3 1 1 A 36 36 HIS CB C 36 28.563 30.221 -1.658 1
1 375 . 3 1 1 A 36 36 HIS C C 36 178.907 177.331 1.576 1
1 376 . 3 1 1 A 37 37 GLU N N 37 122.627 117.679 4.948 1
1 377 . 3 1 1 A 37 37 GLU H H 37 9.459 8.802 0.657 1
1 378 . 3 1 1 A 37 37 GLU CA C 37 61.473 59.981 1.492 1
1 379 . 3 1 1 A 37 37 GLU HA H 37 3.922 3.750 0.172 1
1 380 . 3 1 1 A 37 37 GLU CB C 37 30.028 29.051 0.977 1
1 386 . 3 1 1 A 37 37 GLU C C 37 178.840 178.989 -0.149 1
1 387 . 3 1 1 A 38 38 ARG N N 38 116.143 119.892 -3.749 1
1 388 . 3 1 1 A 38 38 ARG H H 38 7.244 7.562 -0.318 1
1 389 . 3 1 1 A 38 38 ARG CA C 38 58.258 59.098 -0.840 1
1 390 . 3 1 1 A 38 38 ARG HA H 38 4.129 3.970 0.159 1
1 391 . 3 1 1 A 38 38 ARG CB C 38 30.054 29.912 0.142 1
1 400 . 3 1 1 A 38 38 ARG C C 38 177.863 179.283 -1.420 1
1 401 . 3 1 1 A 39 39 THR N N 39 109.313 114.440 -5.127 1
1 402 . 3 1 1 A 39 39 THR H H 39 7.639 8.193 -0.554 1
1 403 . 3 1 1 A 39 39 THR CA C 39 63.892 64.409 -0.517 1
1 404 . 3 1 1 A 39 39 THR HA H 39 4.075 3.917 0.158 1
1 405 . 3 1 1 A 39 39 THR CB C 39 69.337 68.541 0.796 1
1 411 . 3 1 1 A 39 39 THR C C 39 175.843 175.565 0.278 1
1 412 . 3 1 1 A 40 40 HIS N N 40 119.019 117.506 1.513 1
1 413 . 3 1 1 A 40 40 HIS H H 40 7.046 7.353 -0.307 1
1 414 . 3 1 1 A 40 40 HIS CA C 40 55.942 58.252 -2.310 1
1 415 . 3 1 1 A 40 40 HIS HA H 40 4.410 4.154 0.256 1
1 416 . 3 1 1 A 40 40 HIS CB C 40 27.446 29.633 -2.187 1
1 423 . 3 1 1 A 40 40 HIS C C 40 175.528 177.107 -1.579 1
1 424 . 3 1 1 A 41 41 THR N N 41 111.847 113.671 -1.824 1
1 425 . 3 1 1 A 41 41 THR H H 41 7.579 8.210 -0.631 1
1 426 . 3 1 1 A 41 41 THR CA C 41 62.200 65.246 -3.046 1
1 427 . 3 1 1 A 41 41 THR HA H 41 4.152 3.695 0.457 1
1 428 . 3 1 1 A 41 41 THR CB C 41 69.440 68.844 0.596 1
1 434 . 3 1 1 A 41 41 THR C C 41 174.484 175.773 -1.289 1
1 435 . 3 1 1 A 42 42 ASP N N 42 122.207 119.626 2.581 1
1 436 . 3 1 1 A 42 42 ASP H H 42 8.191 7.362 0.829 1
1 437 . 3 1 1 A 42 42 ASP CA C 42 54.373 52.529 1.844 1
1 438 . 3 1 1 A 42 42 ASP HA H 42 4.524 4.590 -0.066 1
1 439 . 3 1 1 A 42 42 ASP CB C 42 41.045 39.391 1.654 1
1 442 . 3 1 1 A 42 42 ASP C C 42 175.869 176.553 -0.684 1
1 443 . 3 1 1 A 43 43 GLU N N 43 120.562 123.741 -3.179 1
1 444 . 3 1 1 A 43 43 GLU H H 43 8.064 7.867 0.197 1
1 445 . 3 1 1 A 43 43 GLU CA C 43 57.378 59.156 -1.778 1
1 446 . 3 1 1 A 43 43 GLU HA H 43 4.098 4.066 0.032 1
1 447 . 3 1 1 A 43 43 GLU CB C 43 30.262 29.292 0.970 1
1 453 . 3 1 1 A 43 43 GLU C C 43 176.313 176.940 -0.627 1
1 454 . 3 1 1 A 44 44 ARG N N 44 120.015 117.534 2.481 1
1 455 . 3 1 1 A 44 44 ARG H H 44 8.190 7.554 0.636 1
1 456 . 3 1 1 A 44 44 ARG CA C 44 53.266 53.638 -0.372 1
1 457 . 3 1 1 A 44 44 ARG HA H 44 4.533 4.812 -0.279 1
1 458 . 3 1 1 A 44 44 ARG CB C 44 30.702 30.866 -0.164 1
1 467 . 3 1 1 A 44 44 ARG C C 44 173.360 175.169 -1.809 1
1 468 . 3 1 1 A 45 45 PRO CA C 45 63.459 64.160 -0.701 1
1 469 . 3 1 1 A 45 45 PRO HA H 45 4.298 4.592 -0.294 1
1 470 . 3 1 1 A 45 45 PRO CB C 45 32.219 31.542 0.677 1
1 479 . 3 1 1 A 45 45 PRO C C 45 176.492 175.983 0.509 1
1 480 . 3 1 1 A 46 46 TYR N N 46 119.184 118.813 0.371 1
1 481 . 3 1 1 A 46 46 TYR H H 46 7.840 7.752 0.088 1
1 482 . 3 1 1 A 46 46 TYR CA C 46 57.533 57.609 -0.076 1
1 483 . 3 1 1 A 46 46 TYR HA H 46 4.757 4.748 0.009 1
1 484 . 3 1 1 A 46 46 TYR CB C 46 38.646 38.308 0.338 1
1 495 . 3 1 1 A 46 46 TYR C C 46 175.414 175.990 -0.576 1
1 496 . 3 1 1 A 47 47 THR N N 47 117.631 119.013 -1.382 1
1 497 . 3 1 1 A 47 47 THR H H 47 8.607 8.960 -0.353 1
1 498 . 3 1 1 A 47 47 THR CA C 47 60.593 61.460 -0.867 1
1 499 . 3 1 1 A 47 47 THR HA H 47 5.130 5.192 -0.062 1
1 500 . 3 1 1 A 47 47 THR CB C 47 71.076 72.370 -1.294 1
1 506 . 3 1 1 A 47 47 THR C C 47 173.697 173.417 0.280 1
1 507 . 3 1 1 A 48 48 CYS N N 48 127.009 125.596 1.413 1
1 508 . 3 1 1 A 48 48 CYS H H 48 9.072 8.699 0.373 1
1 509 . 3 1 1 A 48 48 CYS CA C 48 60.153 58.621 1.532 1
1 510 . 3 1 1 A 48 48 CYS HA H 48 4.422 4.820 -0.398 1
1 511 . 3 1 1 A 48 48 CYS CB C 48 29.832 29.613 0.219 1
1 514 . 3 1 1 A 48 48 CYS C C 48 176.023 174.732 1.291 1
1 515 . 3 1 1 A 49 49 ASP N N 49 129.691 122.559 7.132 1
1 516 . 3 1 1 A 49 49 ASP H H 49 9.129 9.210 -0.081 1
1 517 . 3 1 1 A 49 49 ASP CA C 49 55.499 55.180 0.319 1
1 518 . 3 1 1 A 49 49 ASP HA H 49 4.353 4.736 -0.383 1
1 519 . 3 1 1 A 49 49 ASP CB C 49 39.656 42.630 -2.974 1
1 522 . 3 1 1 A 49 49 ASP C C 49 175.094 176.241 -1.147 1
1 523 . 3 1 1 A 50 50 ILE N N 50 121.649 116.327 5.322 1
1 524 . 3 1 1 A 50 50 ILE H H 50 8.661 7.532 1.129 1
1 525 . 3 1 1 A 50 50 ILE CA C 50 62.888 62.575 0.313 1
1 526 . 3 1 1 A 50 50 ILE HA H 50 3.837 3.978 -0.141 1
1 527 . 3 1 1 A 50 50 ILE CB C 50 38.652 38.688 -0.036 1
1 540 . 3 1 1 A 50 50 ILE C C 50 176.439 177.465 -1.026 1
1 541 . 3 1 1 A 51 51 CYS N N 51 116.341 118.330 -1.989 1
1 542 . 3 1 1 A 51 51 CYS H H 51 7.973 7.870 0.103 1
1 543 . 3 1 1 A 51 51 CYS CA C 51 58.192 60.465 -2.273 1
1 544 . 3 1 1 A 51 51 CYS HA H 51 4.922 4.364 0.558 1
1 545 . 3 1 1 A 51 51 CYS CB C 51 32.086 28.311 3.775 1
1 548 . 3 1 1 A 51 51 CYS C C 51 175.814 174.939 0.875 1
1 549 . 3 1 1 A 52 52 HIS N N 52 116.961 115.415 1.546 1
1 550 . 3 1 1 A 52 52 HIS H H 52 7.714 8.036 -0.322 1
1 551 . 3 1 1 A 52 52 HIS CA C 52 58.187 56.513 1.674 1
1 552 . 3 1 1 A 52 52 HIS HA H 52 4.521 4.213 0.308 1
1 553 . 3 1 1 A 52 52 HIS CB C 52 27.079 26.890 0.189 1
1 560 . 3 1 1 A 52 52 HIS C C 52 174.215 174.370 -0.155 1
1 561 . 3 1 1 A 53 53 LYS N N 53 122.651 118.448 4.203 1
1 562 . 3 1 1 A 53 53 LYS H H 53 7.902 7.716 0.186 1
1 563 . 3 1 1 A 53 53 LYS CA C 53 58.205 55.401 2.804 1
1 564 . 3 1 1 A 53 53 LYS HA H 53 4.051 4.259 -0.208 1
1 565 . 3 1 1 A 53 53 LYS CB C 53 33.868 33.736 0.132 1
1 577 . 3 1 1 A 53 53 LYS C C 53 173.816 175.532 -1.716 1
1 578 . 3 1 1 A 54 54 ALA N N 54 124.589 120.714 3.875 1
1 579 . 3 1 1 A 54 54 ALA H H 54 7.885 8.105 -0.220 1
1 580 . 3 1 1 A 54 54 ALA CA C 54 50.573 49.848 0.725 1
1 581 . 3 1 1 A 54 54 ALA HA H 54 5.098 5.582 -0.484 1
1 582 . 3 1 1 A 54 54 ALA CB C 54 22.290 22.135 0.155 1
1 586 . 3 1 1 A 54 54 ALA C C 54 176.763 175.647 1.116 1
1 587 . 3 1 1 A 55 55 PHE N N 55 117.946 119.267 -1.321 1
1 588 . 3 1 1 A 55 55 PHE H H 55 9.044 8.802 0.242 1
1 589 . 3 1 1 A 55 55 PHE CA C 55 57.320 56.260 1.060 1
1 590 . 3 1 1 A 55 55 PHE HA H 55 4.724 4.813 -0.089 1
1 591 . 3 1 1 A 55 55 PHE CB C 55 43.710 42.661 1.049 1
1 604 . 3 1 1 A 55 55 PHE C C 55 175.251 175.333 -0.082 1
1 605 . 3 1 1 A 56 56 ARG N N 56 119.843 123.489 -3.646 1
1 606 . 3 1 1 A 56 56 ARG H H 56 9.587 8.812 0.775 1
1 607 . 3 1 1 A 56 56 ARG CA C 56 58.117 57.691 0.426 1
1 608 . 3 1 1 A 56 56 ARG HA H 56 4.603 3.846 0.757 1
1 609 . 3 1 1 A 56 56 ARG CB C 56 31.741 31.108 0.633 1
1 618 . 3 1 1 A 56 56 ARG C C 56 176.201 175.937 0.264 1
1 619 . 3 1 1 A 57 57 ARG N N 57 113.134 118.525 -5.391 1
1 620 . 3 1 1 A 57 57 ARG H H 57 7.273 7.611 -0.338 1
1 621 . 3 1 1 A 57 57 ARG CA C 57 53.978 55.464 -1.486 1
1 622 . 3 1 1 A 57 57 ARG HA H 57 4.650 4.339 0.311 1
1 623 . 3 1 1 A 57 57 ARG CB C 57 34.701 30.740 3.961 1
1 632 . 3 1 1 A 57 57 ARG C C 57 176.296 176.938 -0.642 1
1 633 . 3 1 1 A 58 58 GLN N N 58 124.070 125.265 -1.195 1
1 634 . 3 1 1 A 58 58 GLN H H 58 8.583 9.037 -0.454 1
1 635 . 3 1 1 A 58 58 GLN CA C 58 59.036 59.097 -0.061 1
1 636 . 3 1 1 A 58 58 GLN HA H 58 3.004 4.034 -1.030 1
1 637 . 3 1 1 A 58 58 GLN CB C 58 28.229 28.461 -0.232 1
1 646 . 3 1 1 A 58 58 GLN C C 58 177.925 177.351 0.574 1
1 647 . 3 1 1 A 59 59 ASP CA C 59 56.406 57.183 -0.777 1
1 648 . 3 1 1 A 59 59 ASP HA H 59 4.046 4.247 -0.201 1
1 649 . 3 1 1 A 59 59 ASP CB C 59 38.248 40.244 -1.996 1
1 652 . 3 1 1 A 59 59 ASP C C 59 177.698 179.047 -1.349 1
1 653 . 3 1 1 A 60 60 HIS N N 60 119.173 118.351 0.822 1
1 654 . 3 1 1 A 60 60 HIS H H 60 6.954 7.700 -0.746 1
1 655 . 3 1 1 A 60 60 HIS CA C 60 56.843 59.744 -2.901 1
1 656 . 3 1 1 A 60 60 HIS HA H 60 4.432 4.341 0.091 1
1 657 . 3 1 1 A 60 60 HIS CB C 60 31.752 31.002 0.750 1
1 664 . 3 1 1 A 60 60 HIS C C 60 178.617 177.994 0.623 1
1 665 . 3 1 1 A 61 61 LEU N N 61 120.844 121.224 -0.380 1
1 666 . 3 1 1 A 61 61 LEU H H 61 6.979 7.768 -0.789 1
1 667 . 3 1 1 A 61 61 LEU CA C 61 57.728 56.879 0.849 1
1 668 . 3 1 1 A 61 61 LEU HA H 61 3.145 3.149 -0.004 1
1 669 . 3 1 1 A 61 61 LEU CB C 61 40.153 41.846 -1.693 1
1 682 . 3 1 1 A 61 61 LEU C C 61 176.855 178.237 -1.382 1
1 683 . 3 1 1 A 62 62 ARG N N 62 120.225 119.533 0.692 1
1 684 . 3 1 1 A 62 62 ARG H H 62 8.012 8.338 -0.326 1
1 685 . 3 1 1 A 62 62 ARG CA C 62 59.526 59.624 -0.098 1
1 686 . 3 1 1 A 62 62 ARG HA H 62 3.724 3.943 -0.219 1
1 687 . 3 1 1 A 62 62 ARG CB C 62 29.388 30.011 -0.623 1
1 696 . 3 1 1 A 62 62 ARG C C 62 178.582 178.838 -0.256 1
1 697 . 3 1 1 A 63 63 ASP N N 63 117.219 119.537 -2.318 1
1 698 . 3 1 1 A 63 63 ASP H H 63 7.823 8.161 -0.338 1
1 699 . 3 1 1 A 63 63 ASP CA C 63 56.694 56.918 -0.224 1
1 700 . 3 1 1 A 63 63 ASP HA H 63 4.401 4.433 -0.032 1
1 701 . 3 1 1 A 63 63 ASP CB C 63 40.226 40.625 -0.399 1
1 704 . 3 1 1 A 63 63 ASP C C 63 178.560 178.400 0.160 1
1 705 . 3 1 1 A 64 64 HIS N N 64 119.185 121.520 -2.335 1
1 706 . 3 1 1 A 64 64 HIS H H 64 7.606 8.020 -0.414 1
1 707 . 3 1 1 A 64 64 HIS CA C 64 58.772 60.035 -1.263 1
1 708 . 3 1 1 A 64 64 HIS HA H 64 4.211 4.125 0.086 1
1 709 . 3 1 1 A 64 64 HIS CB C 64 28.533 29.586 -1.053 1
1 716 . 3 1 1 A 64 64 HIS C C 64 176.334 177.216 -0.882 1
1 717 . 3 1 1 A 65 65 ARG N N 65 116.490 118.701 -2.211 1
1 718 . 3 1 1 A 65 65 ARG H H 65 8.157 7.706 0.451 1
1 719 . 3 1 1 A 65 65 ARG CA C 65 59.666 59.136 0.530 1
1 720 . 3 1 1 A 65 65 ARG HA H 65 3.576 3.955 -0.379 1
1 721 . 3 1 1 A 65 65 ARG CB C 65 29.958 29.803 0.155 1
1 730 . 3 1 1 A 65 65 ARG C C 65 178.301 178.212 0.089 1
1 731 . 3 1 1 A 66 66 TYR N N 66 117.286 120.219 -2.933 1
1 732 . 3 1 1 A 66 66 TYR H H 66 7.169 7.925 -0.756 1
1 733 . 3 1 1 A 66 66 TYR CA C 66 60.186 61.270 -1.084 1
1 734 . 3 1 1 A 66 66 TYR HA H 66 4.339 4.083 0.256 1
1 735 . 3 1 1 A 66 66 TYR CB C 66 37.960 38.514 -0.554 1
1 746 . 3 1 1 A 66 66 TYR C C 66 178.191 177.370 0.821 1
1 747 . 3 1 1 A 67 67 ILE N N 67 117.609 116.051 1.558 1
1 748 . 3 1 1 A 67 67 ILE H H 67 7.883 7.639 0.244 1
1 749 . 3 1 1 A 67 67 ILE CA C 67 63.440 64.402 -0.962 1
1 750 . 3 1 1 A 67 67 ILE HA H 67 3.836 3.635 0.201 1
1 751 . 3 1 1 A 67 67 ILE CB C 67 37.482 37.188 0.294 1
1 764 . 3 1 1 A 67 67 ILE C C 67 177.511 176.444 1.067 1
1 765 . 3 1 1 A 68 68 HIS N N 68 116.764 121.115 -4.351 1
1 766 . 3 1 1 A 68 68 HIS H H 68 7.140 7.699 -0.559 1
1 767 . 3 1 1 A 68 68 HIS CA C 68 55.340 54.778 0.562 1
1 768 . 3 1 1 A 68 68 HIS HA H 68 4.768 4.574 0.194 1
1 769 . 3 1 1 A 68 68 HIS CB C 68 28.687 27.705 0.982 1
1 776 . 3 1 1 A 68 68 HIS C C 68 175.627 174.471 1.156 1
1 777 . 3 1 1 A 69 69 SER N N 69 114.870 117.897 -3.027 1
1 778 . 3 1 1 A 69 69 SER H H 69 7.731 8.735 -1.004 1
1 779 . 3 1 1 A 69 69 SER CA C 69 59.200 58.242 0.958 1
1 780 . 3 1 1 A 69 69 SER HA H 69 4.379 4.252 0.127 1
1 781 . 3 1 1 A 69 69 SER CB C 69 63.765 63.826 -0.061 1
1 784 . 3 1 1 A 69 69 SER C C 69 174.692 174.115 0.577 1
1 785 . 3 1 1 A 70 70 LYS N N 70 121.978 123.619 -1.641 1
1 786 . 3 1 1 A 70 70 LYS H H 70 8.063 8.477 -0.414 1
1 787 . 3 1 1 A 70 70 LYS CA C 70 56.825 54.947 1.878 1
1 788 . 3 1 1 A 70 70 LYS HA H 70 4.214 4.740 -0.526 1
1 789 . 3 1 1 A 70 70 LYS CB C 70 32.539 32.886 -0.347 1
1 801 . 3 1 1 A 70 70 LYS C C 70 176.806 175.463 1.343 1
1 802 . 3 1 1 A 71 71 GLU N N 71 120.177 128.451 -8.274 1
1 803 . 3 1 1 A 71 71 GLU H H 71 8.008 8.914 -0.906 1
1 804 . 3 1 1 A 71 71 GLU CA C 71 56.472 57.262 -0.790 1
1 805 . 3 1 1 A 71 71 GLU HA H 71 4.191 4.218 -0.027 1
1 806 . 3 1 1 A 71 71 GLU CB C 71 29.335 30.491 -1.156 1
1 811 . 3 1 1 A 71 71 GLU C C 71 176.040 175.811 0.229 1
1 812 . 3 1 1 A 72 72 LYS N N 72 121.800 125.931 -4.131 1
1 813 . 3 1 1 A 72 72 LYS H H 72 8.277 8.462 -0.185 1
1 814 . 3 1 1 A 72 72 LYS CA C 72 53.820 52.374 1.446 1
1 815 . 3 1 1 A 72 72 LYS HA H 72 4.391 4.722 -0.331 1
1 816 . 3 1 1 A 72 72 LYS CB C 72 32.139 33.984 -1.845 1
1 828 . 3 1 1 A 72 72 LYS C C 72 174.768 175.952 -1.184 1
1 829 . 3 1 1 A 73 73 PRO CA C 73 63.978 64.139 -0.161 1
1 830 . 3 1 1 A 73 73 PRO HA H 73 4.144 4.247 -0.103 1
1 831 . 3 1 1 A 73 73 PRO CB C 73 31.953 31.160 0.793 1
1 840 . 3 1 1 A 73 73 PRO C C 73 176.402 176.052 0.350 1
1 841 . 3 1 1 A 74 74 PHE N N 74 117.425 117.637 -0.212 1
1 842 . 3 1 1 A 74 74 PHE H H 74 7.686 7.468 0.218 1
1 843 . 3 1 1 A 74 74 PHE CA C 74 57.020 56.314 0.706 1
1 844 . 3 1 1 A 74 74 PHE HA H 74 4.691 5.103 -0.412 1
1 845 . 3 1 1 A 74 74 PHE CB C 74 39.403 40.144 -0.741 1
1 856 . 3 1 1 A 74 74 PHE C C 74 174.442 174.101 0.341 1
1 857 . 3 1 1 A 75 75 LYS N N 75 123.931 124.712 -0.781 1
1 858 . 3 1 1 A 75 75 LYS H H 75 8.590 8.669 -0.079 1
1 859 . 3 1 1 A 75 75 LYS CA C 75 54.951 55.324 -0.373 1
1 860 . 3 1 1 A 75 75 LYS HA H 75 5.021 4.792 0.229 1
1 861 . 3 1 1 A 75 75 LYS CB C 75 35.286 35.614 -0.328 1
1 873 . 3 1 1 A 75 75 LYS C C 75 175.465 174.736 0.729 1
1 874 . 3 1 1 A 76 76 CYS N N 76 126.279 125.036 1.243 1
1 875 . 3 1 1 A 76 76 CYS H H 76 9.149 8.978 0.171 1
1 876 . 3 1 1 A 76 76 CYS CA C 76 59.553 59.843 -0.290 1
1 877 . 3 1 1 A 76 76 CYS HA H 76 4.462 4.406 0.056 1
1 878 . 3 1 1 A 76 76 CYS CB C 76 29.772 29.179 0.593 1
1 881 . 3 1 1 A 76 76 CYS C C 76 177.367 174.941 2.426 1
1 882 . 3 1 1 A 77 77 GLN CA C 77 58.117 56.772 1.345 1
1 883 . 3 1 1 A 77 77 GLN HA H 77 4.130 4.510 -0.380 1
1 884 . 3 1 1 A 77 77 GLN CB C 77 28.479 29.564 -1.085 1
1 893 . 3 1 1 A 77 77 GLN C C 77 176.283 178.073 -1.790 1
1 894 . 3 1 1 A 78 78 GLU N N 78 120.320 119.495 0.825 1
1 895 . 3 1 1 A 78 78 GLU H H 78 8.682 7.886 0.796 1
1 896 . 3 1 1 A 78 78 GLU CA C 78 58.540 58.987 -0.447 1
1 897 . 3 1 1 A 78 78 GLU HA H 78 4.165 3.977 0.188 1
1 898 . 3 1 1 A 78 78 GLU CB C 78 29.469 28.902 0.567 1
1 904 . 3 1 1 A 78 78 GLU C C 78 177.275 178.444 -1.169 1
1 905 . 3 1 1 A 79 79 CYS N N 79 114.728 114.643 0.085 1
1 906 . 3 1 1 A 79 79 CYS H H 79 8.018 7.189 0.829 1
1 907 . 3 1 1 A 79 79 CYS CA C 79 58.271 59.761 -1.490 1
1 908 . 3 1 1 A 79 79 CYS HA H 79 5.142 4.538 0.604 1
1 909 . 3 1 1 A 79 79 CYS CB C 79 32.339 29.353 2.986 1
1 912 . 3 1 1 A 79 79 CYS C C 79 176.280 175.632 0.648 1
1 913 . 3 1 1 A 80 80 GLY N N 80 113.675 111.120 2.555 1
1 914 . 3 1 1 A 80 80 GLY H H 80 8.133 8.138 -0.005 1
1 915 . 3 1 1 A 80 80 GLY CA C 80 46.206 46.719 -0.513 1
1 916 . 3 1 1 A 80 80 GLY HA2 H 80 4.213 3.946 0.267 1
1 917 . 3 1 1 A 80 80 GLY HA3 H 80 3.755 3.982 -0.227 1
1 918 . 3 1 1 A 80 80 GLY C C 80 173.619 174.931 -1.312 1
1 919 . 3 1 1 A 81 81 LYS N N 81 122.811 119.098 3.713 1
1 920 . 3 1 1 A 81 81 LYS H H 81 7.945 7.983 -0.038 1
1 921 . 3 1 1 A 81 81 LYS CA C 81 58.211 56.024 2.187 1
1 922 . 3 1 1 A 81 81 LYS HA H 81 3.947 4.193 -0.246 1
1 923 . 3 1 1 A 81 81 LYS CB C 81 33.921 33.128 0.793 1
1 935 . 3 1 1 A 81 81 LYS C C 81 174.639 177.257 -2.618 1
1 936 . 3 1 1 A 82 82 GLY N N 82 108.366 110.415 -2.049 1
1 937 . 3 1 1 A 82 82 GLY H H 82 7.936 8.376 -0.440 1
1 938 . 3 1 1 A 82 82 GLY CA C 82 44.048 46.442 -2.394 1
1 939 . 3 1 1 A 82 82 GLY HA2 H 82 4.847 3.869 0.978 1
1 940 . 3 1 1 A 82 82 GLY HA3 H 82 3.291 3.895 -0.604 1
1 941 . 3 1 1 A 82 82 GLY C C 82 172.166 173.877 -1.711 1
1 942 . 3 1 1 A 83 83 PHE N N 83 117.822 121.436 -3.614 1
1 943 . 3 1 1 A 83 83 PHE H H 83 8.697 7.408 1.289 1
1 944 . 3 1 1 A 83 83 PHE CA C 83 57.338 58.369 -1.031 1
1 945 . 3 1 1 A 83 83 PHE HA H 83 4.755 4.509 0.246 1
1 946 . 3 1 1 A 83 83 PHE CB C 83 43.462 39.774 3.688 1
1 959 . 3 1 1 A 83 83 PHE C C 83 175.424 175.358 0.066 1
1 960 . 3 1 1 A 84 84 CYS CA C 84 60.706 60.377 0.329 1
1 961 . 3 1 1 A 84 84 CYS HA H 84 4.608 4.682 -0.074 1
1 962 . 3 1 1 A 84 84 CYS CB C 84 28.990 29.830 -0.840 1
1 965 . 3 1 1 A 84 84 CYS C C 84 174.163 174.933 -0.770 1
1 966 . 3 1 1 A 85 85 GLN N N 85 114.620 119.248 -4.628 1
1 967 . 3 1 1 A 85 85 GLN H H 85 7.326 7.867 -0.541 1
1 968 . 3 1 1 A 85 85 GLN CA C 85 54.098 54.766 -0.668 1
1 969 . 3 1 1 A 85 85 GLN HA H 85 4.648 4.524 0.124 1
1 970 . 3 1 1 A 85 85 GLN CB C 85 32.066 29.842 2.224 1
1 979 . 3 1 1 A 85 85 GLN C C 85 175.230 175.591 -0.361 1
1 980 . 3 1 1 A 86 86 SER CA C 86 61.164 58.499 2.665 1
1 981 . 3 1 1 A 86 86 SER HA H 86 3.078 4.485 -1.407 1
1 982 . 3 1 1 A 86 86 SER CB C 86 61.738 64.324 -2.586 1
1 985 . 3 1 1 A 87 87 ARG CA C 87 58.886 58.574 0.312 1
1 986 . 3 1 1 A 87 87 ARG HA H 87 4.049 4.056 -0.007 1
1 987 . 3 1 1 A 87 87 ARG CB C 87 29.519 29.789 -0.270 1
1 996 . 3 1 1 A 87 87 ARG C C 87 177.520 178.069 -0.549 1
1 997 . 3 1 1 A 88 88 THR N N 88 112.500 113.925 -1.425 1
1 998 . 3 1 1 A 88 88 THR H H 88 6.796 7.825 -1.029 1
1 999 . 3 1 1 A 88 88 THR CA C 88 64.598 64.486 0.112 1
1 1000 . 3 1 1 A 88 88 THR HA H 88 3.844 4.052 -0.208 1
1 1001 . 3 1 1 A 88 88 THR CB C 88 67.809 68.954 -1.145 1
1 1007 . 3 1 1 A 88 88 THR C C 88 177.343 176.297 1.046 1
1 1008 . 3 1 1 A 89 89 LEU N N 89 123.163 122.038 1.125 1
1 1009 . 3 1 1 A 89 89 LEU H H 89 6.898 7.945 -1.047 1
1 1010 . 3 1 1 A 89 89 LEU CA C 89 57.692 57.366 0.326 1
1 1011 . 3 1 1 A 89 89 LEU HA H 89 3.147 3.539 -0.392 1
1 1012 . 3 1 1 A 89 89 LEU CB C 89 40.133 41.662 -1.529 1
1 1025 . 3 1 1 A 89 89 LEU C C 89 176.886 178.241 -1.355 1
1 1026 . 3 1 1 A 90 90 ALA N N 90 120.747 121.086 -0.339 1
1 1027 . 3 1 1 A 90 90 ALA H H 90 7.837 8.168 -0.331 1
1 1028 . 3 1 1 A 90 90 ALA CA C 90 55.646 55.285 0.361 1
1 1029 . 3 1 1 A 90 90 ALA HA H 90 3.914 3.963 -0.049 1
1 1030 . 3 1 1 A 90 90 ALA CB C 90 17.722 18.056 -0.334 1
1 1034 . 3 1 1 A 90 90 ALA C C 90 180.692 180.340 0.352 1
1 1035 . 3 1 1 A 91 91 VAL N N 91 117.181 118.674 -1.493 1
1 1036 . 3 1 1 A 91 91 VAL H H 91 7.475 7.971 -0.496 1
1 1037 . 3 1 1 A 91 91 VAL CA C 91 65.880 66.403 -0.523 1
1 1038 . 3 1 1 A 91 91 VAL HA H 91 3.662 3.799 -0.137 1
1 1039 . 3 1 1 A 91 91 VAL CB C 91 32.018 31.784 0.234 1
1 1049 . 3 1 1 A 91 91 VAL C C 91 178.708 178.108 0.600 1
1 1050 . 3 1 1 A 92 92 HIS N N 92 121.501 119.276 2.225 1
1 1051 . 3 1 1 A 92 92 HIS H H 92 7.625 7.825 -0.200 1
1 1052 . 3 1 1 A 92 92 HIS CA C 92 59.553 59.585 -0.032 1
1 1053 . 3 1 1 A 92 92 HIS HA H 92 4.095 4.173 -0.078 1
1 1054 . 3 1 1 A 92 92 HIS CB C 92 28.040 29.607 -1.567 1
1 1061 . 3 1 1 A 92 92 HIS C C 92 176.518 177.195 -0.677 1
1 1062 . 3 1 1 A 93 93 LYS N N 93 116.162 117.973 -1.811 1
1 1063 . 3 1 1 A 93 93 LYS H H 93 8.372 8.367 0.005 1
1 1064 . 3 1 1 A 93 93 LYS CA C 93 60.253 58.731 1.522 1
1 1065 . 3 1 1 A 93 93 LYS HA H 93 3.732 3.991 -0.259 1
1 1066 . 3 1 1 A 93 93 LYS CB C 93 32.158 32.452 -0.294 1
1 1078 . 3 1 1 A 93 93 LYS C C 93 179.211 178.808 0.403 1
1 1079 . 3 1 1 A 94 94 THR N N 94 111.607 112.665 -1.058 1
1 1080 . 3 1 1 A 94 94 THR H H 94 7.434 7.634 -0.200 1
1 1081 . 3 1 1 A 94 94 THR CA C 94 65.106 65.417 -0.311 1
1 1082 . 3 1 1 A 94 94 THR HA H 94 4.034 4.097 -0.063 1
1 1083 . 3 1 1 A 94 94 THR CB C 94 69.075 68.640 0.435 1
1 1089 . 3 1 1 A 94 94 THR C C 94 176.406 177.281 -0.875 1
1 1090 . 3 1 1 A 95 95 LEU N N 95 121.689 122.401 -0.712 1
1 1091 . 3 1 1 A 95 95 LEU H H 95 7.725 7.522 0.203 1
1 1092 . 3 1 1 A 95 95 LEU CA C 95 56.680 56.617 0.063 1
1 1093 . 3 1 1 A 95 95 LEU HA H 95 4.020 4.080 -0.060 1
1 1094 . 3 1 1 A 95 95 LEU CB C 95 41.186 41.307 -0.121 1
1 1107 . 3 1 1 A 95 95 LEU C C 95 178.956 177.311 1.645 1
1 1108 . 3 1 1 A 96 96 HIS N N 96 114.750 114.802 -0.052 1
1 1109 . 3 1 1 A 96 96 HIS H H 96 7.160 7.619 -0.459 1
1 1110 . 3 1 1 A 96 96 HIS CA C 96 55.206 54.996 0.210 1
1 1111 . 3 1 1 A 96 96 HIS HA H 96 4.730 4.781 -0.051 1
1 1112 . 3 1 1 A 96 96 HIS CB C 96 28.687 28.977 -0.290 1
1 1119 . 3 1 1 A 96 96 HIS C C 96 175.230 174.235 0.995 1
1 1120 . 3 1 1 A 97 97 MET N N 97 118.984 117.186 1.798 1
1 1121 . 3 1 1 A 97 97 MET H H 97 7.626 7.698 -0.072 1
1 1122 . 3 1 1 A 97 97 MET CA C 97 55.995 52.737 3.258 1
1 1123 . 3 1 1 A 97 97 MET HA H 97 4.424 5.046 -0.622 1
1 1124 . 3 1 1 A 97 97 MET CB C 97 33.065 35.373 -2.308 1
1 1134 . 3 1 1 A 97 97 MET C C 97 176.174 174.131 2.043 1
1 1135 . 3 1 1 A 98 98 GLN N N 98 120.828 119.581 1.247 1
1 1136 . 3 1 1 A 98 98 GLN H H 98 8.271 8.706 -0.435 1
1 1137 . 3 1 1 A 98 98 GLN CA C 98 55.951 54.343 1.608 1
1 1138 . 3 1 1 A 98 98 GLN HA H 98 4.382 5.147 -0.765 1
1 1139 . 3 1 1 A 98 98 GLN CB C 98 29.364 32.286 -2.922 1
1 1148 . 3 1 1 A 98 98 GLN C C 98 176.242 174.477 1.765 1
1 1149 . 3 1 1 A 99 99 THR N N 99 114.965 117.734 -2.769 1
1 1150 . 3 1 1 A 99 99 THR H H 99 8.200 8.846 -0.646 1
1 1151 . 3 1 1 A 99 99 THR CA C 99 61.773 60.491 1.282 1
1 1152 . 3 1 1 A 99 99 THR HA H 99 4.374 5.115 -0.741 1
1 1153 . 3 1 1 A 99 99 THR CB C 99 69.654 71.601 -1.947 1
1 1159 . 3 1 1 A 99 99 THR C C 99 174.491 172.815 1.676 1
1 1160 . 3 1 1 A 100 100 SER N N 100 118.047 121.094 -3.047 1
1 1161 . 3 1 1 A 100 100 SER H H 100 8.311 8.818 -0.507 1
1 1162 . 3 1 1 A 100 100 SER CA C 100 58.240 58.716 -0.476 1
1 1163 . 3 1 1 A 100 100 SER HA H 100 4.493 4.518 -0.025 1
1 1164 . 3 1 1 A 100 100 SER CB C 100 63.843 64.017 -0.174 1
1 1167 . 3 1 1 A 100 100 SER C C 100 174.152 174.092 0.060 1
1 1168 . 3 1 1 A 101 101 SER N N 101 118.812 116.229 2.583 1
1 1169 . 3 1 1 A 101 101 SER H H 101 8.358 8.722 -0.364 1
1 1170 . 3 1 1 A 101 101 SER CA C 101 56.348 55.111 1.237 1
1 1171 . 3 1 1 A 101 101 SER HA H 101 4.773 5.083 -0.310 1
1 1172 . 3 1 1 A 101 101 SER CB C 101 63.554 64.875 -1.321 1
1 1175 . 3 1 1 A 101 101 SER C C 101 172.898 172.634 0.264 1
1 1176 . 3 1 1 A 102 102 PRO CA C 102 63.453 62.365 1.088 1
1 1177 . 3 1 1 A 102 102 PRO HA H 102 4.485 4.567 -0.082 1
1 1178 . 3 1 1 A 102 102 PRO CB C 102 32.126 33.670 -1.544 1
1 1187 . 3 1 1 A 102 102 PRO C C 102 177.181 176.271 0.910 1
1 1188 . 3 1 1 A 103 103 THR N N 103 114.257 112.233 2.024 1
1 1189 . 3 1 1 A 103 103 THR H H 103 8.188 8.455 -0.267 1
1 1190 . 3 1 1 A 103 103 THR CA C 103 61.748 63.310 -1.562 1
1 1191 . 3 1 1 A 103 103 THR HA H 103 4.273 4.217 0.056 1
1 1192 . 3 1 1 A 103 103 THR CB C 103 69.833 70.053 -0.220 1
1 1198 . 3 1 1 A 103 103 THR C C 103 174.258 174.725 -0.467 1
1 1199 . 3 1 1 A 104 104 ALA N N 104 126.872 122.202 4.670 1
1 1200 . 3 1 1 A 104 104 ALA H H 104 8.240 7.967 0.273 1
1 1201 . 3 1 1 A 104 104 ALA CA C 104 52.369 52.945 -0.576 1
1 1202 . 3 1 1 A 104 104 ALA HA H 104 4.316 3.944 0.372 1
1 1203 . 3 1 1 A 104 104 ALA CB C 104 19.417 17.234 2.183 1
1 1207 . 3 1 1 A 104 104 ALA C C 104 177.129 176.841 0.288 1
1 1208 . 3 1 1 A 105 105 ALA N N 105 124.353 117.986 6.367 1
1 1209 . 3 1 1 A 105 105 ALA H H 105 8.312 7.409 0.903 1
1 1210 . 3 1 1 A 105 105 ALA CA C 105 52.408 52.417 -0.009 1
1 1211 . 3 1 1 A 105 105 ALA HA H 105 4.327 4.307 0.020 1
1 1212 . 3 1 1 A 105 105 ALA CB C 105 19.416 20.131 -0.715 1
1 1216 . 3 1 1 A 105 105 ALA C C 105 176.902 176.679 0.223 1
1 1 . 4 1 1 A 8 8 GLY CA C 8 45.171 45.336 -0.165 1
1 2 . 4 1 1 A 8 8 GLY HA2 H 8 3.976 4.207 -0.231 1
1 3 . 4 1 1 A 8 8 GLY HA3 H 8 3.976 4.207 -0.231 1
1 4 . 4 1 1 A 8 8 GLY C C 8 173.956 172.573 1.383 1
1 5 . 4 1 1 A 9 9 ARG N N 9 120.445 125.309 -4.864 1
1 6 . 4 1 1 A 9 9 ARG H H 9 8.126 8.734 -0.608 1
1 7 . 4 1 1 A 9 9 ARG CA C 9 55.873 55.026 0.847 1
1 8 . 4 1 1 A 9 9 ARG HA H 9 4.318 5.089 -0.771 1
1 9 . 4 1 1 A 9 9 ARG CB C 9 30.899 33.108 -2.209 1
1 18 . 4 1 1 A 9 9 ARG C C 9 176.192 175.321 0.871 1
1 19 . 4 1 1 A 10 10 LEU N N 10 125.156 122.968 2.188 1
1 20 . 4 1 1 A 10 10 LEU H H 10 8.357 8.313 0.044 1
1 21 . 4 1 1 A 10 10 LEU CA C 10 53.058 51.951 1.107 1
1 22 . 4 1 1 A 10 10 LEU HA H 10 4.589 4.667 -0.078 1
1 23 . 4 1 1 A 10 10 LEU CB C 10 41.599 45.247 -3.648 1
1 36 . 4 1 1 A 10 10 LEU C C 10 175.327 175.581 -0.254 1
1 37 . 4 1 1 A 11 11 PRO CA C 11 63.064 64.613 -1.549 1
1 38 . 4 1 1 A 11 11 PRO HA H 11 4.416 4.297 0.119 1
1 39 . 4 1 1 A 11 11 PRO CB C 11 32.095 31.906 0.189 1
1 48 . 4 1 1 A 13 13 LYS CA C 13 56.353 56.707 -0.354 1
1 49 . 4 1 1 A 13 13 LYS HA H 13 4.383 4.424 -0.041 1
1 50 . 4 1 1 A 13 13 LYS CB C 13 33.019 32.721 0.298 1
1 62 . 4 1 1 A 13 13 LYS C C 13 176.694 175.881 0.813 1
1 63 . 4 1 1 A 14 14 THR N N 14 115.691 116.849 -1.158 1
1 64 . 4 1 1 A 14 14 THR H H 14 8.140 8.699 -0.559 1
1 65 . 4 1 1 A 14 14 THR CA C 14 61.919 60.008 1.911 1
1 66 . 4 1 1 A 14 14 THR HA H 14 4.265 5.321 -1.056 1
1 67 . 4 1 1 A 14 14 THR CB C 14 69.860 71.312 -1.452 1
1 73 . 4 1 1 A 14 14 THR C C 14 174.261 173.243 1.018 1
1 74 . 4 1 1 A 15 15 LYS N N 15 124.645 123.312 1.333 1
1 75 . 4 1 1 A 15 15 LYS H H 15 8.323 8.882 -0.559 1
1 76 . 4 1 1 A 15 15 LYS CA C 15 56.226 55.319 0.907 1
1 77 . 4 1 1 A 15 15 LYS HA H 15 4.278 4.824 -0.546 1
1 78 . 4 1 1 A 15 15 LYS CB C 15 33.220 33.666 -0.446 1
1 90 . 4 1 1 A 15 15 LYS C C 15 175.921 175.363 0.558 1
1 91 . 4 1 1 A 16 16 LYS N N 16 123.830 124.467 -0.637 1
1 92 . 4 1 1 A 16 16 LYS H H 16 8.332 8.738 -0.406 1
1 93 . 4 1 1 A 16 16 LYS CA C 16 55.966 54.697 1.269 1
1 94 . 4 1 1 A 16 16 LYS HA H 16 4.192 5.181 -0.989 1
1 95 . 4 1 1 A 16 16 LYS CB C 16 33.028 36.299 -3.271 1
1 107 . 4 1 1 A 16 16 LYS C C 16 175.334 173.993 1.341 1
1 108 . 4 1 1 A 17 17 GLU N N 17 121.077 124.471 -3.394 1
1 109 . 4 1 1 A 17 17 GLU H H 17 7.931 8.529 -0.598 1
1 110 . 4 1 1 A 17 17 GLU CA C 17 55.463 54.425 1.038 1
1 111 . 4 1 1 A 17 17 GLU HA H 17 4.300 4.475 -0.175 1
1 112 . 4 1 1 A 17 17 GLU CB C 17 31.984 33.356 -1.372 1
1 118 . 4 1 1 A 17 17 GLU C C 17 174.646 175.111 -0.465 1
1 119 . 4 1 1 A 18 18 PHE N N 18 121.605 117.614 3.991 1
1 120 . 4 1 1 A 18 18 PHE H H 18 8.560 8.450 0.110 1
1 121 . 4 1 1 A 18 18 PHE CA C 18 56.963 56.555 0.408 1
1 122 . 4 1 1 A 18 18 PHE HA H 18 4.675 5.275 -0.600 1
1 123 . 4 1 1 A 18 18 PHE CB C 18 39.653 43.688 -4.035 1
1 134 . 4 1 1 A 18 18 PHE C C 18 173.933 174.926 -0.993 1
1 135 . 4 1 1 A 19 19 ILE N N 19 123.977 119.445 4.532 1
1 136 . 4 1 1 A 19 19 ILE H H 19 8.425 8.922 -0.497 1
1 137 . 4 1 1 A 19 19 ILE CA C 19 59.740 59.918 -0.178 1
1 138 . 4 1 1 A 19 19 ILE HA H 19 4.654 4.988 -0.334 1
1 139 . 4 1 1 A 19 19 ILE CB C 19 41.000 41.779 -0.779 1
1 152 . 4 1 1 A 19 19 ILE C C 19 175.584 174.981 0.603 1
1 153 . 4 1 1 A 20 20 CYS N N 20 129.741 127.336 2.405 1
1 154 . 4 1 1 A 20 20 CYS H H 20 9.224 9.047 0.177 1
1 155 . 4 1 1 A 20 20 CYS CA C 20 59.974 59.452 0.522 1
1 156 . 4 1 1 A 20 20 CYS HA H 20 4.827 4.472 0.355 1
1 157 . 4 1 1 A 20 20 CYS CB C 20 30.335 29.087 1.248 1
1 160 . 4 1 1 A 20 20 CYS C C 20 178.043 175.500 2.543 1
1 161 . 4 1 1 A 21 21 LYS N N 21 132.598 122.605 9.993 1
1 162 . 4 1 1 A 21 21 LYS H H 21 9.473 8.327 1.146 1
1 163 . 4 1 1 A 21 21 LYS CA C 21 58.099 56.659 1.440 1
1 164 . 4 1 1 A 21 21 LYS HA H 21 4.104 4.464 -0.360 1
1 165 . 4 1 1 A 21 21 LYS CB C 21 31.695 34.054 -2.359 1
1 177 . 4 1 1 A 21 21 LYS C C 21 175.765 178.284 -2.519 1
1 178 . 4 1 1 A 22 22 PHE N N 22 121.000 118.229 2.771 1
1 179 . 4 1 1 A 22 22 PHE H H 22 9.158 7.911 1.247 1
1 180 . 4 1 1 A 22 22 PHE CA C 22 59.743 59.855 -0.112 1
1 181 . 4 1 1 A 22 22 PHE HA H 22 4.394 4.121 0.273 1
1 182 . 4 1 1 A 22 22 PHE CB C 22 37.953 37.508 0.445 1
1 195 . 4 1 1 A 22 22 PHE C C 22 176.819 177.344 -0.525 1
1 196 . 4 1 1 A 23 23 CYS N N 23 115.955 113.617 2.338 1
1 197 . 4 1 1 A 23 23 CYS H H 23 8.410 7.998 0.412 1
1 198 . 4 1 1 A 23 23 CYS CA C 23 58.486 59.663 -1.177 1
1 199 . 4 1 1 A 23 23 CYS HA H 23 5.262 4.706 0.556 1
1 200 . 4 1 1 A 23 23 CYS CB C 23 33.092 30.123 2.969 1
1 203 . 4 1 1 A 23 23 CYS C C 23 176.770 175.874 0.896 1
1 204 . 4 1 1 A 24 24 GLY N N 24 112.575 110.922 1.653 1
1 205 . 4 1 1 A 24 24 GLY H H 24 8.092 8.327 -0.235 1
1 206 . 4 1 1 A 24 24 GLY CA C 24 46.302 46.547 -0.245 1
1 207 . 4 1 1 A 24 24 GLY HA2 H 24 4.238 3.987 0.251 1
1 208 . 4 1 1 A 24 24 GLY HA3 H 24 3.776 3.990 -0.214 1
1 209 . 4 1 1 A 24 24 GLY C C 24 173.621 174.668 -1.047 1
1 210 . 4 1 1 A 25 25 ARG N N 25 122.678 120.513 2.165 1
1 211 . 4 1 1 A 25 25 ARG H H 25 8.079 7.832 0.247 1
1 212 . 4 1 1 A 25 25 ARG CA C 25 58.063 54.691 3.372 1
1 213 . 4 1 1 A 25 25 ARG HA H 25 4.096 4.742 -0.646 1
1 214 . 4 1 1 A 25 25 ARG CB C 25 31.628 31.804 -0.176 1
1 223 . 4 1 1 A 25 25 ARG C C 25 174.641 175.135 -0.494 1
1 224 . 4 1 1 A 26 26 HIS N N 26 121.510 123.564 -2.054 1
1 225 . 4 1 1 A 26 26 HIS H H 26 8.454 8.982 -0.528 1
1 226 . 4 1 1 A 26 26 HIS CA C 26 55.553 54.887 0.666 1
1 227 . 4 1 1 A 26 26 HIS HA H 26 5.166 5.239 -0.073 1
1 228 . 4 1 1 A 26 26 HIS CB C 26 32.066 32.081 -0.015 1
1 235 . 4 1 1 A 26 26 HIS C C 26 174.732 174.456 0.276 1
1 236 . 4 1 1 A 27 27 PHE N N 27 119.065 119.648 -0.583 1
1 237 . 4 1 1 A 27 27 PHE H H 27 9.035 8.880 0.155 1
1 238 . 4 1 1 A 27 27 PHE CA C 27 57.515 56.533 0.982 1
1 239 . 4 1 1 A 27 27 PHE HA H 27 4.724 4.877 -0.153 1
1 240 . 4 1 1 A 27 27 PHE CB C 27 43.276 43.665 -0.389 1
1 253 . 4 1 1 A 27 27 PHE C C 27 175.205 175.656 -0.451 1
1 254 . 4 1 1 A 28 28 THR CA C 28 62.856 64.113 -1.257 1
1 255 . 4 1 1 A 28 28 THR HA H 28 4.691 4.385 0.306 1
1 256 . 4 1 1 A 28 28 THR CB C 28 69.897 69.549 0.348 1
1 262 . 4 1 1 A 28 28 THR C C 28 174.714 174.344 0.370 1
1 263 . 4 1 1 A 29 29 LYS N N 29 118.993 118.629 0.364 1
1 264 . 4 1 1 A 29 29 LYS H H 29 7.456 7.715 -0.259 1
1 265 . 4 1 1 A 29 29 LYS CA C 29 54.239 54.901 -0.662 1
1 266 . 4 1 1 A 29 29 LYS HA H 29 4.573 4.750 -0.177 1
1 267 . 4 1 1 A 29 29 LYS CB C 29 35.412 34.621 0.791 1
1 279 . 4 1 1 A 29 29 LYS C C 29 176.395 176.485 -0.090 1
1 280 . 4 1 1 A 30 30 SER CA C 30 60.921 61.178 -0.257 1
1 281 . 4 1 1 A 30 30 SER HA H 30 3.025 4.300 -1.275 1
1 282 . 4 1 1 A 30 30 SER CB C 30 61.703 62.887 -1.184 1
1 285 . 4 1 1 A 31 31 TYR CA C 31 60.807 61.238 -0.431 1
1 286 . 4 1 1 A 31 31 TYR HA H 31 4.101 4.249 -0.148 1
1 287 . 4 1 1 A 31 31 TYR CB C 31 38.408 38.434 -0.026 1
1 298 . 4 1 1 A 31 31 TYR C C 31 176.455 177.821 -1.366 1
1 299 . 4 1 1 A 32 32 ASN N N 32 114.304 118.226 -3.922 1
1 300 . 4 1 1 A 32 32 ASN H H 32 6.481 8.232 -1.751 1
1 301 . 4 1 1 A 32 32 ASN CA C 32 55.198 56.706 -1.508 1
1 302 . 4 1 1 A 32 32 ASN HA H 32 4.283 4.576 -0.293 1
1 303 . 4 1 1 A 32 32 ASN CB C 32 37.912 39.834 -1.922 1
1 309 . 4 1 1 A 32 32 ASN C C 32 177.633 177.407 0.226 1
1 310 . 4 1 1 A 33 33 LEU N N 33 121.854 120.150 1.704 1
1 311 . 4 1 1 A 33 33 LEU H H 33 7.002 7.302 -0.300 1
1 312 . 4 1 1 A 33 33 LEU CA C 33 57.820 57.746 0.074 1
1 313 . 4 1 1 A 33 33 LEU HA H 33 2.922 2.716 0.206 1
1 314 . 4 1 1 A 33 33 LEU CB C 33 40.350 41.478 -1.128 1
1 327 . 4 1 1 A 33 33 LEU C C 33 176.900 178.233 -1.333 1
1 328 . 4 1 1 A 34 34 LEU N N 34 120.140 116.942 3.198 1
1 329 . 4 1 1 A 34 34 LEU H H 34 7.795 7.605 0.190 1
1 330 . 4 1 1 A 34 34 LEU CA C 34 58.506 58.050 0.456 1
1 331 . 4 1 1 A 34 34 LEU HA H 34 3.933 4.071 -0.138 1
1 332 . 4 1 1 A 34 34 LEU CB C 34 41.523 41.405 0.118 1
1 345 . 4 1 1 A 34 34 LEU C C 34 179.914 179.416 0.498 1
1 346 . 4 1 1 A 35 35 ILE N N 35 116.693 120.003 -3.310 1
1 347 . 4 1 1 A 35 35 ILE H H 35 7.368 8.087 -0.719 1
1 348 . 4 1 1 A 35 35 ILE CA C 35 63.641 64.906 -1.265 1
1 349 . 4 1 1 A 35 35 ILE HA H 35 3.533 3.676 -0.143 1
1 350 . 4 1 1 A 35 35 ILE CB C 35 37.380 37.473 -0.093 1
1 363 . 4 1 1 A 35 35 ILE C C 35 178.700 178.560 0.140 1
1 364 . 4 1 1 A 36 36 HIS N N 36 119.039 120.476 -1.437 1
1 365 . 4 1 1 A 36 36 HIS H H 36 7.424 7.970 -0.546 1
1 366 . 4 1 1 A 36 36 HIS CA C 36 59.486 59.967 -0.481 1
1 367 . 4 1 1 A 36 36 HIS HA H 36 4.282 4.295 -0.013 1
1 368 . 4 1 1 A 36 36 HIS CB C 36 28.563 30.311 -1.748 1
1 375 . 4 1 1 A 36 36 HIS C C 36 178.907 177.674 1.233 1
1 376 . 4 1 1 A 37 37 GLU N N 37 122.627 117.573 5.054 1
1 377 . 4 1 1 A 37 37 GLU H H 37 9.459 8.532 0.927 1
1 378 . 4 1 1 A 37 37 GLU CA C 37 61.473 60.139 1.334 1
1 379 . 4 1 1 A 37 37 GLU HA H 37 3.922 3.967 -0.045 1
1 380 . 4 1 1 A 37 37 GLU CB C 37 30.028 29.279 0.749 1
1 386 . 4 1 1 A 37 37 GLU C C 37 178.840 179.585 -0.745 1
1 387 . 4 1 1 A 38 38 ARG N N 38 116.143 120.081 -3.938 1
1 388 . 4 1 1 A 38 38 ARG H H 38 7.244 7.885 -0.641 1
1 389 . 4 1 1 A 38 38 ARG CA C 38 58.258 59.294 -1.036 1
1 390 . 4 1 1 A 38 38 ARG HA H 38 4.129 4.114 0.015 1
1 391 . 4 1 1 A 38 38 ARG CB C 38 30.054 30.032 0.022 1
1 400 . 4 1 1 A 38 38 ARG C C 38 177.863 179.798 -1.935 1
1 401 . 4 1 1 A 39 39 THR N N 39 109.313 114.252 -4.939 1
1 402 . 4 1 1 A 39 39 THR H H 39 7.639 8.174 -0.535 1
1 403 . 4 1 1 A 39 39 THR CA C 39 63.892 64.258 -0.366 1
1 404 . 4 1 1 A 39 39 THR HA H 39 4.075 3.942 0.133 1
1 405 . 4 1 1 A 39 39 THR CB C 39 69.337 68.490 0.847 1
1 411 . 4 1 1 A 39 39 THR C C 39 175.843 175.507 0.336 1
1 412 . 4 1 1 A 40 40 HIS N N 40 119.019 116.771 2.248 1
1 413 . 4 1 1 A 40 40 HIS H H 40 7.046 7.352 -0.306 1
1 414 . 4 1 1 A 40 40 HIS CA C 40 55.942 57.389 -1.447 1
1 415 . 4 1 1 A 40 40 HIS HA H 40 4.410 4.329 0.081 1
1 416 . 4 1 1 A 40 40 HIS CB C 40 27.446 30.827 -3.381 1
1 423 . 4 1 1 A 40 40 HIS C C 40 175.528 175.451 0.077 1
1 424 . 4 1 1 A 41 41 THR N N 41 111.847 110.971 0.876 1
1 425 . 4 1 1 A 41 41 THR H H 41 7.579 7.361 0.218 1
1 426 . 4 1 1 A 41 41 THR CA C 41 62.200 61.296 0.904 1
1 427 . 4 1 1 A 41 41 THR HA H 41 4.152 4.149 0.003 1
1 428 . 4 1 1 A 41 41 THR CB C 41 69.440 68.039 1.401 1
1 434 . 4 1 1 A 41 41 THR C C 41 174.484 173.554 0.930 1
1 435 . 4 1 1 A 42 42 ASP N N 42 122.207 127.326 -5.119 1
1 436 . 4 1 1 A 42 42 ASP H H 42 8.191 8.908 -0.717 1
1 437 . 4 1 1 A 42 42 ASP CA C 42 54.373 52.984 1.389 1
1 438 . 4 1 1 A 42 42 ASP HA H 42 4.524 5.012 -0.488 1
1 439 . 4 1 1 A 42 42 ASP CB C 42 41.045 40.078 0.967 1
1 442 . 4 1 1 A 42 42 ASP C C 42 175.869 175.048 0.821 1
1 443 . 4 1 1 A 43 43 GLU N N 43 120.562 122.037 -1.475 1
1 444 . 4 1 1 A 43 43 GLU H H 43 8.064 8.270 -0.206 1
1 445 . 4 1 1 A 43 43 GLU CA C 43 57.378 54.244 3.134 1
1 446 . 4 1 1 A 43 43 GLU HA H 43 4.098 4.942 -0.844 1
1 447 . 4 1 1 A 43 43 GLU CB C 43 30.262 32.419 -2.157 1
1 453 . 4 1 1 A 43 43 GLU C C 43 176.313 175.400 0.913 1
1 454 . 4 1 1 A 44 44 ARG N N 44 120.015 120.739 -0.724 1
1 455 . 4 1 1 A 44 44 ARG H H 44 8.190 8.631 -0.441 1
1 456 . 4 1 1 A 44 44 ARG CA C 44 53.266 53.245 0.021 1
1 457 . 4 1 1 A 44 44 ARG HA H 44 4.533 4.959 -0.426 1
1 458 . 4 1 1 A 44 44 ARG CB C 44 30.702 30.925 -0.223 1
1 467 . 4 1 1 A 44 44 ARG C C 44 173.360 175.024 -1.664 1
1 468 . 4 1 1 A 45 45 PRO CA C 45 63.459 64.960 -1.501 1
1 469 . 4 1 1 A 45 45 PRO HA H 45 4.298 4.230 0.068 1
1 470 . 4 1 1 A 45 45 PRO CB C 45 32.219 31.559 0.660 1
1 479 . 4 1 1 A 45 45 PRO C C 45 176.492 175.978 0.514 1
1 480 . 4 1 1 A 46 46 TYR N N 46 119.184 118.013 1.171 1
1 481 . 4 1 1 A 46 46 TYR H H 46 7.840 7.532 0.308 1
1 482 . 4 1 1 A 46 46 TYR CA C 46 57.533 57.973 -0.440 1
1 483 . 4 1 1 A 46 46 TYR HA H 46 4.757 4.646 0.111 1
1 484 . 4 1 1 A 46 46 TYR CB C 46 38.646 38.201 0.445 1
1 495 . 4 1 1 A 46 46 TYR C C 46 175.414 176.216 -0.802 1
1 496 . 4 1 1 A 47 47 THR N N 47 117.631 118.854 -1.223 1
1 497 . 4 1 1 A 47 47 THR H H 47 8.607 8.848 -0.241 1
1 498 . 4 1 1 A 47 47 THR CA C 47 60.593 61.529 -0.936 1
1 499 . 4 1 1 A 47 47 THR HA H 47 5.130 5.350 -0.220 1
1 500 . 4 1 1 A 47 47 THR CB C 47 71.076 72.306 -1.230 1
1 506 . 4 1 1 A 47 47 THR C C 47 173.697 173.248 0.449 1
1 507 . 4 1 1 A 48 48 CYS N N 48 127.009 125.022 1.987 1
1 508 . 4 1 1 A 48 48 CYS H H 48 9.072 8.770 0.302 1
1 509 . 4 1 1 A 48 48 CYS CA C 48 60.153 59.111 1.042 1
1 510 . 4 1 1 A 48 48 CYS HA H 48 4.422 4.644 -0.222 1
1 511 . 4 1 1 A 48 48 CYS CB C 48 29.832 28.738 1.094 1
1 514 . 4 1 1 A 48 48 CYS C C 48 176.023 174.723 1.300 1
1 515 . 4 1 1 A 49 49 ASP N N 49 129.691 123.178 6.513 1
1 516 . 4 1 1 A 49 49 ASP H H 49 9.129 9.172 -0.043 1
1 517 . 4 1 1 A 49 49 ASP CA C 49 55.499 55.506 -0.007 1
1 518 . 4 1 1 A 49 49 ASP HA H 49 4.353 4.732 -0.379 1
1 519 . 4 1 1 A 49 49 ASP CB C 49 39.656 42.731 -3.075 1
1 522 . 4 1 1 A 49 49 ASP C C 49 175.094 176.094 -1.000 1
1 523 . 4 1 1 A 50 50 ILE N N 50 121.649 116.344 5.305 1
1 524 . 4 1 1 A 50 50 ILE H H 50 8.661 7.376 1.285 1
1 525 . 4 1 1 A 50 50 ILE CA C 50 62.888 62.587 0.301 1
1 526 . 4 1 1 A 50 50 ILE HA H 50 3.837 3.908 -0.071 1
1 527 . 4 1 1 A 50 50 ILE CB C 50 38.652 38.088 0.564 1
1 540 . 4 1 1 A 50 50 ILE C C 50 176.439 177.588 -1.149 1
1 541 . 4 1 1 A 51 51 CYS N N 51 116.341 117.448 -1.107 1
1 542 . 4 1 1 A 51 51 CYS H H 51 7.973 7.676 0.297 1
1 543 . 4 1 1 A 51 51 CYS CA C 51 58.192 60.153 -1.961 1
1 544 . 4 1 1 A 51 51 CYS HA H 51 4.922 4.419 0.503 1
1 545 . 4 1 1 A 51 51 CYS CB C 51 32.086 28.123 3.963 1
1 548 . 4 1 1 A 51 51 CYS C C 51 175.814 174.916 0.898 1
1 549 . 4 1 1 A 52 52 HIS N N 52 116.961 115.493 1.468 1
1 550 . 4 1 1 A 52 52 HIS H H 52 7.714 7.892 -0.178 1
1 551 . 4 1 1 A 52 52 HIS CA C 52 58.187 56.329 1.858 1
1 552 . 4 1 1 A 52 52 HIS HA H 52 4.521 4.201 0.320 1
1 553 . 4 1 1 A 52 52 HIS CB C 52 27.079 26.994 0.085 1
1 560 . 4 1 1 A 52 52 HIS C C 52 174.215 174.533 -0.318 1
1 561 . 4 1 1 A 53 53 LYS N N 53 122.651 118.360 4.291 1
1 562 . 4 1 1 A 53 53 LYS H H 53 7.902 8.232 -0.330 1
1 563 . 4 1 1 A 53 53 LYS CA C 53 58.205 55.130 3.075 1
1 564 . 4 1 1 A 53 53 LYS HA H 53 4.051 4.379 -0.328 1
1 565 . 4 1 1 A 53 53 LYS CB C 53 33.868 33.728 0.140 1
1 577 . 4 1 1 A 53 53 LYS C C 53 173.816 175.901 -2.085 1
1 578 . 4 1 1 A 54 54 ALA N N 54 124.589 121.465 3.124 1
1 579 . 4 1 1 A 54 54 ALA H H 54 7.885 8.311 -0.426 1
1 580 . 4 1 1 A 54 54 ALA CA C 54 50.573 49.945 0.628 1
1 581 . 4 1 1 A 54 54 ALA HA H 54 5.098 5.615 -0.517 1
1 582 . 4 1 1 A 54 54 ALA CB C 54 22.290 22.684 -0.394 1
1 586 . 4 1 1 A 54 54 ALA C C 54 176.763 176.181 0.582 1
1 587 . 4 1 1 A 55 55 PHE N N 55 117.946 117.861 0.085 1
1 588 . 4 1 1 A 55 55 PHE H H 55 9.044 8.469 0.575 1
1 589 . 4 1 1 A 55 55 PHE CA C 55 57.320 56.847 0.473 1
1 590 . 4 1 1 A 55 55 PHE HA H 55 4.724 5.027 -0.303 1
1 591 . 4 1 1 A 55 55 PHE CB C 55 43.710 43.957 -0.247 1
1 604 . 4 1 1 A 55 55 PHE C C 55 175.251 175.549 -0.298 1
1 605 . 4 1 1 A 56 56 ARG N N 56 119.843 121.932 -2.089 1
1 606 . 4 1 1 A 56 56 ARG H H 56 9.587 8.974 0.613 1
1 607 . 4 1 1 A 56 56 ARG CA C 56 58.117 57.338 0.779 1
1 608 . 4 1 1 A 56 56 ARG HA H 56 4.603 4.488 0.115 1
1 609 . 4 1 1 A 56 56 ARG CB C 56 31.741 31.433 0.308 1
1 618 . 4 1 1 A 56 56 ARG C C 56 176.201 175.827 0.374 1
1 619 . 4 1 1 A 57 57 ARG N N 57 113.134 117.713 -4.579 1
1 620 . 4 1 1 A 57 57 ARG H H 57 7.273 7.854 -0.581 1
1 621 . 4 1 1 A 57 57 ARG CA C 57 53.978 54.462 -0.484 1
1 622 . 4 1 1 A 57 57 ARG HA H 57 4.650 4.412 0.238 1
1 623 . 4 1 1 A 57 57 ARG CB C 57 34.701 31.327 3.374 1
1 632 . 4 1 1 A 57 57 ARG C C 57 176.296 176.622 -0.326 1
1 633 . 4 1 1 A 58 58 GLN N N 58 124.070 122.247 1.823 1
1 634 . 4 1 1 A 58 58 GLN H H 58 8.583 8.738 -0.155 1
1 635 . 4 1 1 A 58 58 GLN CA C 58 59.036 58.374 0.662 1
1 636 . 4 1 1 A 58 58 GLN HA H 58 3.004 3.644 -0.640 1
1 637 . 4 1 1 A 58 58 GLN CB C 58 28.229 28.407 -0.178 1
1 646 . 4 1 1 A 58 58 GLN C C 58 177.925 177.144 0.781 1
1 647 . 4 1 1 A 59 59 ASP CA C 59 56.406 57.116 -0.710 1
1 648 . 4 1 1 A 59 59 ASP HA H 59 4.046 4.223 -0.177 1
1 649 . 4 1 1 A 59 59 ASP CB C 59 38.248 39.979 -1.731 1
1 652 . 4 1 1 A 59 59 ASP C C 59 177.698 179.213 -1.515 1
1 653 . 4 1 1 A 60 60 HIS N N 60 119.173 118.499 0.674 1
1 654 . 4 1 1 A 60 60 HIS H H 60 6.954 7.664 -0.710 1
1 655 . 4 1 1 A 60 60 HIS CA C 60 56.843 59.657 -2.814 1
1 656 . 4 1 1 A 60 60 HIS HA H 60 4.432 4.673 -0.241 1
1 657 . 4 1 1 A 60 60 HIS CB C 60 31.752 29.893 1.859 1
1 664 . 4 1 1 A 60 60 HIS C C 60 178.617 178.031 0.586 1
1 665 . 4 1 1 A 61 61 LEU N N 61 120.844 120.528 0.316 1
1 666 . 4 1 1 A 61 61 LEU H H 61 6.979 7.935 -0.956 1
1 667 . 4 1 1 A 61 61 LEU CA C 61 57.728 57.079 0.649 1
1 668 . 4 1 1 A 61 61 LEU HA H 61 3.145 2.975 0.170 1
1 669 . 4 1 1 A 61 61 LEU CB C 61 40.153 41.532 -1.379 1
1 682 . 4 1 1 A 61 61 LEU C C 61 176.855 178.569 -1.714 1
1 683 . 4 1 1 A 62 62 ARG N N 62 120.225 120.035 0.190 1
1 684 . 4 1 1 A 62 62 ARG H H 62 8.012 8.028 -0.016 1
1 685 . 4 1 1 A 62 62 ARG CA C 62 59.526 59.387 0.139 1
1 686 . 4 1 1 A 62 62 ARG HA H 62 3.724 4.013 -0.289 1
1 687 . 4 1 1 A 62 62 ARG CB C 62 29.388 29.930 -0.542 1
1 696 . 4 1 1 A 62 62 ARG C C 62 178.582 179.030 -0.448 1
1 697 . 4 1 1 A 63 63 ASP N N 63 117.219 118.725 -1.506 1
1 698 . 4 1 1 A 63 63 ASP H H 63 7.823 8.866 -1.043 1
1 699 . 4 1 1 A 63 63 ASP CA C 63 56.694 56.018 0.676 1
1 700 . 4 1 1 A 63 63 ASP HA H 63 4.401 4.707 -0.306 1
1 701 . 4 1 1 A 63 63 ASP CB C 63 40.226 39.299 0.927 1
1 704 . 4 1 1 A 63 63 ASP C C 63 178.560 178.243 0.317 1
1 705 . 4 1 1 A 64 64 HIS N N 64 119.185 120.050 -0.865 1
1 706 . 4 1 1 A 64 64 HIS H H 64 7.606 8.154 -0.548 1
1 707 . 4 1 1 A 64 64 HIS CA C 64 58.772 59.330 -0.558 1
1 708 . 4 1 1 A 64 64 HIS HA H 64 4.211 4.229 -0.018 1
1 709 . 4 1 1 A 64 64 HIS CB C 64 28.533 30.051 -1.518 1
1 716 . 4 1 1 A 64 64 HIS C C 64 176.334 177.236 -0.902 1
1 717 . 4 1 1 A 65 65 ARG N N 65 116.490 117.910 -1.420 1
1 718 . 4 1 1 A 65 65 ARG H H 65 8.157 8.029 0.128 1
1 719 . 4 1 1 A 65 65 ARG CA C 65 59.666 59.068 0.598 1
1 720 . 4 1 1 A 65 65 ARG HA H 65 3.576 4.192 -0.616 1
1 721 . 4 1 1 A 65 65 ARG CB C 65 29.958 29.905 0.053 1
1 730 . 4 1 1 A 65 65 ARG C C 65 178.301 178.897 -0.596 1
1 731 . 4 1 1 A 66 66 TYR N N 66 117.286 118.426 -1.140 1
1 732 . 4 1 1 A 66 66 TYR H H 66 7.169 8.060 -0.891 1
1 733 . 4 1 1 A 66 66 TYR CA C 66 60.186 60.435 -0.249 1
1 734 . 4 1 1 A 66 66 TYR HA H 66 4.339 4.333 0.006 1
1 735 . 4 1 1 A 66 66 TYR CB C 66 37.960 37.870 0.090 1
1 746 . 4 1 1 A 66 66 TYR C C 66 178.191 178.841 -0.650 1
1 747 . 4 1 1 A 67 67 ILE N N 67 117.609 118.113 -0.504 1
1 748 . 4 1 1 A 67 67 ILE H H 67 7.883 8.131 -0.248 1
1 749 . 4 1 1 A 67 67 ILE CA C 67 63.440 63.659 -0.219 1
1 750 . 4 1 1 A 67 67 ILE HA H 67 3.836 3.812 0.024 1
1 751 . 4 1 1 A 67 67 ILE CB C 67 37.482 37.233 0.249 1
1 764 . 4 1 1 A 67 67 ILE C C 67 177.511 176.051 1.460 1
1 765 . 4 1 1 A 68 68 HIS N N 68 116.764 121.215 -4.451 1
1 766 . 4 1 1 A 68 68 HIS H H 68 7.140 7.965 -0.825 1
1 767 . 4 1 1 A 68 68 HIS CA C 68 55.340 54.655 0.685 1
1 768 . 4 1 1 A 68 68 HIS HA H 68 4.768 4.740 0.028 1
1 769 . 4 1 1 A 68 68 HIS CB C 68 28.687 28.954 -0.267 1
1 776 . 4 1 1 A 68 68 HIS C C 68 175.627 174.879 0.748 1
1 777 . 4 1 1 A 69 69 SER N N 69 114.870 120.166 -5.296 1
1 778 . 4 1 1 A 69 69 SER H H 69 7.731 8.679 -0.948 1
1 779 . 4 1 1 A 69 69 SER CA C 69 59.200 58.487 0.713 1
1 780 . 4 1 1 A 69 69 SER HA H 69 4.379 4.397 -0.018 1
1 781 . 4 1 1 A 69 69 SER CB C 69 63.765 64.301 -0.536 1
1 784 . 4 1 1 A 69 69 SER C C 69 174.692 173.714 0.978 1
1 785 . 4 1 1 A 70 70 LYS N N 70 121.978 120.998 0.980 1
1 786 . 4 1 1 A 70 70 LYS H H 70 8.063 8.702 -0.639 1
1 787 . 4 1 1 A 70 70 LYS CA C 70 56.825 56.372 0.453 1
1 788 . 4 1 1 A 70 70 LYS HA H 70 4.214 4.441 -0.227 1
1 789 . 4 1 1 A 70 70 LYS CB C 70 32.539 35.407 -2.868 1
1 801 . 4 1 1 A 70 70 LYS C C 70 176.806 175.546 1.260 1
1 802 . 4 1 1 A 71 71 GLU N N 71 120.177 125.118 -4.941 1
1 803 . 4 1 1 A 71 71 GLU H H 71 8.008 9.119 -1.111 1
1 804 . 4 1 1 A 71 71 GLU CA C 71 56.472 57.266 -0.794 1
1 805 . 4 1 1 A 71 71 GLU HA H 71 4.191 3.864 0.327 1
1 806 . 4 1 1 A 71 71 GLU CB C 71 29.335 28.422 0.913 1
1 811 . 4 1 1 A 71 71 GLU C C 71 176.040 175.812 0.228 1
1 812 . 4 1 1 A 72 72 LYS N N 72 121.800 116.503 5.297 1
1 813 . 4 1 1 A 72 72 LYS H H 72 8.277 7.434 0.843 1
1 814 . 4 1 1 A 72 72 LYS CA C 72 53.820 54.779 -0.959 1
1 815 . 4 1 1 A 72 72 LYS HA H 72 4.391 4.396 -0.005 1
1 816 . 4 1 1 A 72 72 LYS CB C 72 32.139 32.212 -0.073 1
1 828 . 4 1 1 A 72 72 LYS C C 72 174.768 176.002 -1.234 1
1 829 . 4 1 1 A 73 73 PRO CA C 73 63.978 63.799 0.179 1
1 830 . 4 1 1 A 73 73 PRO HA H 73 4.144 4.262 -0.118 1
1 831 . 4 1 1 A 73 73 PRO CB C 73 31.953 31.817 0.136 1
1 840 . 4 1 1 A 73 73 PRO C C 73 176.402 176.651 -0.249 1
1 841 . 4 1 1 A 74 74 PHE N N 74 117.425 115.415 2.010 1
1 842 . 4 1 1 A 74 74 PHE H H 74 7.686 7.794 -0.108 1
1 843 . 4 1 1 A 74 74 PHE CA C 74 57.020 58.750 -1.730 1
1 844 . 4 1 1 A 74 74 PHE HA H 74 4.691 4.075 0.616 1
1 845 . 4 1 1 A 74 74 PHE CB C 74 39.403 35.826 3.577 1
1 856 . 4 1 1 A 74 74 PHE C C 74 174.442 174.035 0.407 1
1 857 . 4 1 1 A 75 75 LYS N N 75 123.931 118.277 5.654 1
1 858 . 4 1 1 A 75 75 LYS H H 75 8.590 7.793 0.797 1
1 859 . 4 1 1 A 75 75 LYS CA C 75 54.951 54.546 0.405 1
1 860 . 4 1 1 A 75 75 LYS HA H 75 5.021 5.089 -0.068 1
1 861 . 4 1 1 A 75 75 LYS CB C 75 35.286 34.750 0.536 1
1 873 . 4 1 1 A 75 75 LYS C C 75 175.465 175.916 -0.451 1
1 874 . 4 1 1 A 76 76 CYS N N 76 126.279 125.388 0.891 1
1 875 . 4 1 1 A 76 76 CYS H H 76 9.149 9.055 0.094 1
1 876 . 4 1 1 A 76 76 CYS CA C 76 59.553 59.952 -0.399 1
1 877 . 4 1 1 A 76 76 CYS HA H 76 4.462 4.434 0.028 1
1 878 . 4 1 1 A 76 76 CYS CB C 76 29.772 28.927 0.845 1
1 881 . 4 1 1 A 76 76 CYS C C 76 177.367 174.948 2.419 1
1 882 . 4 1 1 A 77 77 GLN CA C 77 58.117 57.283 0.834 1
1 883 . 4 1 1 A 77 77 GLN HA H 77 4.130 4.364 -0.234 1
1 884 . 4 1 1 A 77 77 GLN CB C 77 28.479 29.383 -0.904 1
1 893 . 4 1 1 A 77 77 GLN C C 77 176.283 178.010 -1.727 1
1 894 . 4 1 1 A 78 78 GLU N N 78 120.320 118.820 1.500 1
1 895 . 4 1 1 A 78 78 GLU H H 78 8.682 8.179 0.503 1
1 896 . 4 1 1 A 78 78 GLU CA C 78 58.540 58.956 -0.416 1
1 897 . 4 1 1 A 78 78 GLU HA H 78 4.165 4.061 0.104 1
1 898 . 4 1 1 A 78 78 GLU CB C 78 29.469 28.795 0.674 1
1 904 . 4 1 1 A 78 78 GLU C C 78 177.275 178.157 -0.882 1
1 905 . 4 1 1 A 79 79 CYS N N 79 114.728 114.638 0.090 1
1 906 . 4 1 1 A 79 79 CYS H H 79 8.018 7.378 0.640 1
1 907 . 4 1 1 A 79 79 CYS CA C 79 58.271 59.718 -1.447 1
1 908 . 4 1 1 A 79 79 CYS HA H 79 5.142 4.635 0.507 1
1 909 . 4 1 1 A 79 79 CYS CB C 79 32.339 29.865 2.474 1
1 912 . 4 1 1 A 79 79 CYS C C 79 176.280 175.469 0.811 1
1 913 . 4 1 1 A 80 80 GLY N N 80 113.675 110.815 2.860 1
1 914 . 4 1 1 A 80 80 GLY H H 80 8.133 8.244 -0.111 1
1 915 . 4 1 1 A 80 80 GLY CA C 80 46.206 46.804 -0.598 1
1 916 . 4 1 1 A 80 80 GLY HA2 H 80 4.213 3.944 0.269 1
1 917 . 4 1 1 A 80 80 GLY HA3 H 80 3.755 4.002 -0.247 1
1 918 . 4 1 1 A 80 80 GLY C C 80 173.619 174.509 -0.890 1
1 919 . 4 1 1 A 81 81 LYS N N 81 122.811 119.000 3.811 1
1 920 . 4 1 1 A 81 81 LYS H H 81 7.945 7.789 0.156 1
1 921 . 4 1 1 A 81 81 LYS CA C 81 58.211 54.570 3.641 1
1 922 . 4 1 1 A 81 81 LYS HA H 81 3.947 4.336 -0.389 1
1 923 . 4 1 1 A 81 81 LYS CB C 81 33.921 33.567 0.354 1
1 935 . 4 1 1 A 81 81 LYS C C 81 174.639 176.887 -2.248 1
1 936 . 4 1 1 A 82 82 GLY N N 82 108.366 109.953 -1.587 1
1 937 . 4 1 1 A 82 82 GLY H H 82 7.936 8.463 -0.527 1
1 938 . 4 1 1 A 82 82 GLY CA C 82 44.048 46.206 -2.158 1
1 939 . 4 1 1 A 82 82 GLY HA2 H 82 4.847 3.786 1.061 1
1 940 . 4 1 1 A 82 82 GLY HA3 H 82 3.291 3.789 -0.498 1
1 941 . 4 1 1 A 82 82 GLY C C 82 172.166 173.912 -1.746 1
1 942 . 4 1 1 A 83 83 PHE N N 83 117.822 120.093 -2.271 1
1 943 . 4 1 1 A 83 83 PHE H H 83 8.697 6.900 1.797 1
1 944 . 4 1 1 A 83 83 PHE CA C 83 57.338 59.375 -2.037 1
1 945 . 4 1 1 A 83 83 PHE HA H 83 4.755 4.317 0.438 1
1 946 . 4 1 1 A 83 83 PHE CB C 83 43.462 39.331 4.131 1
1 959 . 4 1 1 A 83 83 PHE C C 83 175.424 175.792 -0.368 1
1 960 . 4 1 1 A 84 84 CYS CA C 84 60.706 63.354 -2.648 1
1 961 . 4 1 1 A 84 84 CYS HA H 84 4.608 4.494 0.114 1
1 962 . 4 1 1 A 84 84 CYS CB C 84 28.990 29.366 -0.376 1
1 965 . 4 1 1 A 84 84 CYS C C 84 174.163 174.942 -0.779 1
1 966 . 4 1 1 A 85 85 GLN N N 85 114.620 119.477 -4.857 1
1 967 . 4 1 1 A 85 85 GLN H H 85 7.326 7.918 -0.592 1
1 968 . 4 1 1 A 85 85 GLN CA C 85 54.098 54.509 -0.411 1
1 969 . 4 1 1 A 85 85 GLN HA H 85 4.648 4.736 -0.088 1
1 970 . 4 1 1 A 85 85 GLN CB C 85 32.066 30.318 1.748 1
1 979 . 4 1 1 A 85 85 GLN C C 85 175.230 176.176 -0.946 1
1 980 . 4 1 1 A 86 86 SER CA C 86 61.164 61.920 -0.756 1
1 981 . 4 1 1 A 86 86 SER HA H 86 3.078 4.087 -1.009 1
1 982 . 4 1 1 A 86 86 SER CB C 86 61.738 63.094 -1.356 1
1 985 . 4 1 1 A 87 87 ARG CA C 87 58.886 59.392 -0.506 1
1 986 . 4 1 1 A 87 87 ARG HA H 87 4.049 3.891 0.158 1
1 987 . 4 1 1 A 87 87 ARG CB C 87 29.519 29.999 -0.480 1
1 996 . 4 1 1 A 87 87 ARG C C 87 177.520 178.753 -1.233 1
1 997 . 4 1 1 A 88 88 THR N N 88 112.500 114.419 -1.919 1
1 998 . 4 1 1 A 88 88 THR H H 88 6.796 8.120 -1.324 1
1 999 . 4 1 1 A 88 88 THR CA C 88 64.598 66.813 -2.215 1
1 1000 . 4 1 1 A 88 88 THR HA H 88 3.844 3.916 -0.072 1
1 1001 . 4 1 1 A 88 88 THR CB C 88 67.809 68.317 -0.508 1
1 1007 . 4 1 1 A 88 88 THR C C 88 177.343 176.006 1.337 1
1 1008 . 4 1 1 A 89 89 LEU N N 89 123.163 120.636 2.527 1
1 1009 . 4 1 1 A 89 89 LEU H H 89 6.898 8.017 -1.119 1
1 1010 . 4 1 1 A 89 89 LEU CA C 89 57.692 57.502 0.190 1
1 1011 . 4 1 1 A 89 89 LEU HA H 89 3.147 3.348 -0.201 1
1 1012 . 4 1 1 A 89 89 LEU CB C 89 40.133 41.394 -1.261 1
1 1025 . 4 1 1 A 89 89 LEU C C 89 176.886 178.310 -1.424 1
1 1026 . 4 1 1 A 90 90 ALA N N 90 120.747 121.001 -0.254 1
1 1027 . 4 1 1 A 90 90 ALA H H 90 7.837 8.023 -0.186 1
1 1028 . 4 1 1 A 90 90 ALA CA C 90 55.646 55.338 0.308 1
1 1029 . 4 1 1 A 90 90 ALA HA H 90 3.914 3.994 -0.080 1
1 1030 . 4 1 1 A 90 90 ALA CB C 90 17.722 18.478 -0.756 1
1 1034 . 4 1 1 A 90 90 ALA C C 90 180.692 179.812 0.880 1
1 1035 . 4 1 1 A 91 91 VAL N N 91 117.181 117.716 -0.535 1
1 1036 . 4 1 1 A 91 91 VAL H H 91 7.475 7.881 -0.406 1
1 1037 . 4 1 1 A 91 91 VAL CA C 91 65.880 66.482 -0.602 1
1 1038 . 4 1 1 A 91 91 VAL HA H 91 3.662 3.540 0.122 1
1 1039 . 4 1 1 A 91 91 VAL CB C 91 32.018 31.666 0.352 1
1 1049 . 4 1 1 A 91 91 VAL C C 91 178.708 178.261 0.447 1
1 1050 . 4 1 1 A 92 92 HIS N N 92 121.501 118.949 2.552 1
1 1051 . 4 1 1 A 92 92 HIS H H 92 7.625 8.667 -1.042 1
1 1052 . 4 1 1 A 92 92 HIS CA C 92 59.553 59.765 -0.212 1
1 1053 . 4 1 1 A 92 92 HIS HA H 92 4.095 4.034 0.061 1
1 1054 . 4 1 1 A 92 92 HIS CB C 92 28.040 29.700 -1.660 1
1 1061 . 4 1 1 A 92 92 HIS C C 92 176.518 176.507 0.011 1
1 1062 . 4 1 1 A 93 93 LYS N N 93 116.162 117.240 -1.078 1
1 1063 . 4 1 1 A 93 93 LYS H H 93 8.372 8.035 0.337 1
1 1064 . 4 1 1 A 93 93 LYS CA C 93 60.253 59.473 0.780 1
1 1065 . 4 1 1 A 93 93 LYS HA H 93 3.732 3.715 0.017 1
1 1066 . 4 1 1 A 93 93 LYS CB C 93 32.158 32.395 -0.237 1
1 1078 . 4 1 1 A 93 93 LYS C C 93 179.211 178.347 0.864 1
1 1079 . 4 1 1 A 94 94 THR N N 94 111.607 112.938 -1.331 1
1 1080 . 4 1 1 A 94 94 THR H H 94 7.434 8.503 -1.069 1
1 1081 . 4 1 1 A 94 94 THR CA C 94 65.106 65.668 -0.562 1
1 1082 . 4 1 1 A 94 94 THR HA H 94 4.034 3.996 0.038 1
1 1083 . 4 1 1 A 94 94 THR CB C 94 69.075 68.111 0.964 1
1 1089 . 4 1 1 A 94 94 THR C C 94 176.406 177.258 -0.852 1
1 1090 . 4 1 1 A 95 95 LEU N N 95 121.689 122.710 -1.021 1
1 1091 . 4 1 1 A 95 95 LEU H H 95 7.725 8.328 -0.603 1
1 1092 . 4 1 1 A 95 95 LEU CA C 95 56.680 57.335 -0.655 1
1 1093 . 4 1 1 A 95 95 LEU HA H 95 4.020 3.930 0.090 1
1 1094 . 4 1 1 A 95 95 LEU CB C 95 41.186 41.618 -0.432 1
1 1107 . 4 1 1 A 95 95 LEU C C 95 178.956 177.425 1.531 1
1 1108 . 4 1 1 A 96 96 HIS N N 96 114.750 114.679 0.071 1
1 1109 . 4 1 1 A 96 96 HIS H H 96 7.160 7.894 -0.734 1
1 1110 . 4 1 1 A 96 96 HIS CA C 96 55.206 54.470 0.736 1
1 1111 . 4 1 1 A 96 96 HIS HA H 96 4.730 4.622 0.108 1
1 1112 . 4 1 1 A 96 96 HIS CB C 96 28.687 27.428 1.259 1
1 1119 . 4 1 1 A 96 96 HIS C C 96 175.230 174.076 1.154 1
1 1120 . 4 1 1 A 97 97 MET N N 97 118.984 119.867 -0.883 1
1 1121 . 4 1 1 A 97 97 MET H H 97 7.626 7.654 -0.028 1
1 1122 . 4 1 1 A 97 97 MET CA C 97 55.995 54.648 1.347 1
1 1123 . 4 1 1 A 97 97 MET HA H 97 4.424 4.898 -0.474 1
1 1124 . 4 1 1 A 97 97 MET CB C 97 33.065 37.316 -4.251 1
1 1134 . 4 1 1 A 97 97 MET C C 97 176.174 173.780 2.394 1
1 1135 . 4 1 1 A 98 98 GLN N N 98 120.828 122.583 -1.755 1
1 1136 . 4 1 1 A 98 98 GLN H H 98 8.271 8.518 -0.247 1
1 1137 . 4 1 1 A 98 98 GLN CA C 98 55.951 55.665 0.286 1
1 1138 . 4 1 1 A 98 98 GLN HA H 98 4.382 4.481 -0.099 1
1 1139 . 4 1 1 A 98 98 GLN CB C 98 29.364 29.730 -0.366 1
1 1148 . 4 1 1 A 98 98 GLN C C 98 176.242 175.753 0.489 1
1 1149 . 4 1 1 A 99 99 THR N N 99 114.965 120.644 -5.679 1
1 1150 . 4 1 1 A 99 99 THR H H 99 8.200 8.488 -0.288 1
1 1151 . 4 1 1 A 99 99 THR CA C 99 61.773 61.465 0.308 1
1 1152 . 4 1 1 A 99 99 THR HA H 99 4.374 4.477 -0.103 1
1 1153 . 4 1 1 A 99 99 THR CB C 99 69.654 70.204 -0.550 1
1 1159 . 4 1 1 A 99 99 THR C C 99 174.491 175.237 -0.746 1
1 1160 . 4 1 1 A 100 100 SER N N 100 118.047 122.607 -4.560 1
1 1161 . 4 1 1 A 100 100 SER H H 100 8.311 8.942 -0.631 1
1 1162 . 4 1 1 A 100 100 SER CA C 100 58.240 59.107 -0.867 1
1 1163 . 4 1 1 A 100 100 SER HA H 100 4.493 4.208 0.285 1
1 1164 . 4 1 1 A 100 100 SER CB C 100 63.843 61.017 2.826 1
1 1167 . 4 1 1 A 100 100 SER C C 100 174.152 174.538 -0.386 1
1 1168 . 4 1 1 A 101 101 SER N N 101 118.812 116.972 1.840 1
1 1169 . 4 1 1 A 101 101 SER H H 101 8.358 7.712 0.646 1
1 1170 . 4 1 1 A 101 101 SER CA C 101 56.348 56.948 -0.600 1
1 1171 . 4 1 1 A 101 101 SER HA H 101 4.773 4.470 0.303 1
1 1172 . 4 1 1 A 101 101 SER CB C 101 63.554 63.319 0.235 1
1 1175 . 4 1 1 A 101 101 SER C C 101 172.898 174.077 -1.179 1
1 1176 . 4 1 1 A 102 102 PRO CA C 102 63.453 62.863 0.590 1
1 1177 . 4 1 1 A 102 102 PRO HA H 102 4.485 4.773 -0.288 1
1 1178 . 4 1 1 A 102 102 PRO CB C 102 32.126 32.641 -0.515 1
1 1187 . 4 1 1 A 102 102 PRO C C 102 177.181 175.300 1.881 1
1 1188 . 4 1 1 A 103 103 THR N N 103 114.257 116.678 -2.421 1
1 1189 . 4 1 1 A 103 103 THR H H 103 8.188 8.548 -0.360 1
1 1190 . 4 1 1 A 103 103 THR CA C 103 61.748 59.596 2.152 1
1 1191 . 4 1 1 A 103 103 THR HA H 103 4.273 4.891 -0.618 1
1 1192 . 4 1 1 A 103 103 THR CB C 103 69.833 70.557 -0.724 1
1 1198 . 4 1 1 A 103 103 THR C C 103 174.258 172.057 2.201 1
1 1199 . 4 1 1 A 104 104 ALA N N 104 126.872 124.619 2.253 1
1 1200 . 4 1 1 A 104 104 ALA H H 104 8.240 8.530 -0.290 1
1 1201 . 4 1 1 A 104 104 ALA CA C 104 52.369 51.490 0.879 1
1 1202 . 4 1 1 A 104 104 ALA HA H 104 4.316 4.973 -0.657 1
1 1203 . 4 1 1 A 104 104 ALA CB C 104 19.417 23.595 -4.178 1
1 1207 . 4 1 1 A 104 104 ALA C C 104 177.129 175.453 1.676 1
1 1208 . 4 1 1 A 105 105 ALA N N 105 124.353 121.493 2.860 1
1 1209 . 4 1 1 A 105 105 ALA H H 105 8.312 8.720 -0.408 1
1 1210 . 4 1 1 A 105 105 ALA CA C 105 52.408 50.930 1.478 1
1 1211 . 4 1 1 A 105 105 ALA HA H 105 4.327 5.185 -0.858 1
1 1212 . 4 1 1 A 105 105 ALA CB C 105 19.416 24.259 -4.843 1
1 1216 . 4 1 1 A 105 105 ALA C C 105 176.902 175.754 1.148 1
1 1 . 5 1 1 A 8 8 GLY CA C 8 45.171 46.141 -0.970 1
1 2 . 5 1 1 A 8 8 GLY HA2 H 8 3.976 4.000 -0.024 1
1 3 . 5 1 1 A 8 8 GLY HA3 H 8 3.976 4.001 -0.025 1
1 4 . 5 1 1 A 8 8 GLY C C 8 173.956 174.740 -0.784 1
1 5 . 5 1 1 A 9 9 ARG N N 9 120.445 125.893 -5.448 1
1 6 . 5 1 1 A 9 9 ARG H H 9 8.126 8.753 -0.627 1
1 7 . 5 1 1 A 9 9 ARG CA C 9 55.873 59.070 -3.197 1
1 8 . 5 1 1 A 9 9 ARG HA H 9 4.318 4.002 0.316 1
1 9 . 5 1 1 A 9 9 ARG CB C 9 30.899 30.435 0.464 1
1 18 . 5 1 1 A 9 9 ARG C C 9 176.192 176.854 -0.662 1
1 19 . 5 1 1 A 10 10 LEU N N 10 125.156 118.934 6.222 1
1 20 . 5 1 1 A 10 10 LEU H H 10 8.357 7.980 0.377 1
1 21 . 5 1 1 A 10 10 LEU CA C 10 53.058 51.107 1.951 1
1 22 . 5 1 1 A 10 10 LEU HA H 10 4.589 4.829 -0.240 1
1 23 . 5 1 1 A 10 10 LEU CB C 10 41.599 45.319 -3.720 1
1 36 . 5 1 1 A 10 10 LEU C C 10 175.327 174.430 0.897 1
1 37 . 5 1 1 A 11 11 PRO CA C 11 63.064 62.434 0.630 1
1 38 . 5 1 1 A 11 11 PRO HA H 11 4.416 4.609 -0.193 1
1 39 . 5 1 1 A 11 11 PRO CB C 11 32.095 33.456 -1.361 1
1 48 . 5 1 1 A 13 13 LYS CA C 13 56.353 55.233 1.120 1
1 49 . 5 1 1 A 13 13 LYS HA H 13 4.383 5.049 -0.666 1
1 50 . 5 1 1 A 13 13 LYS CB C 13 33.019 37.286 -4.267 1
1 62 . 5 1 1 A 13 13 LYS C C 13 176.694 175.032 1.662 1
1 63 . 5 1 1 A 14 14 THR N N 14 115.691 112.719 2.972 1
1 64 . 5 1 1 A 14 14 THR H H 14 8.140 8.636 -0.496 1
1 65 . 5 1 1 A 14 14 THR CA C 14 61.919 60.238 1.681 1
1 66 . 5 1 1 A 14 14 THR HA H 14 4.265 5.297 -1.032 1
1 67 . 5 1 1 A 14 14 THR CB C 14 69.860 72.081 -2.221 1
1 73 . 5 1 1 A 14 14 THR C C 14 174.261 173.398 0.863 1
1 74 . 5 1 1 A 15 15 LYS N N 15 124.645 122.049 2.596 1
1 75 . 5 1 1 A 15 15 LYS H H 15 8.323 8.721 -0.398 1
1 76 . 5 1 1 A 15 15 LYS CA C 15 56.226 55.048 1.178 1
1 77 . 5 1 1 A 15 15 LYS HA H 15 4.278 5.053 -0.775 1
1 78 . 5 1 1 A 15 15 LYS CB C 15 33.220 35.756 -2.536 1
1 90 . 5 1 1 A 15 15 LYS C C 15 175.921 175.121 0.800 1
1 91 . 5 1 1 A 16 16 LYS N N 16 123.830 123.333 0.497 1
1 92 . 5 1 1 A 16 16 LYS H H 16 8.332 8.699 -0.367 1
1 93 . 5 1 1 A 16 16 LYS CA C 16 55.966 54.729 1.237 1
1 94 . 5 1 1 A 16 16 LYS HA H 16 4.192 4.997 -0.805 1
1 95 . 5 1 1 A 16 16 LYS CB C 16 33.028 35.257 -2.229 1
1 107 . 5 1 1 A 16 16 LYS C C 16 175.334 174.649 0.685 1
1 108 . 5 1 1 A 17 17 GLU N N 17 121.077 121.890 -0.813 1
1 109 . 5 1 1 A 17 17 GLU H H 17 7.931 8.829 -0.898 1
1 110 . 5 1 1 A 17 17 GLU CA C 17 55.463 54.413 1.050 1
1 111 . 5 1 1 A 17 17 GLU HA H 17 4.300 4.758 -0.458 1
1 112 . 5 1 1 A 17 17 GLU CB C 17 31.984 33.755 -1.771 1
1 118 . 5 1 1 A 17 17 GLU C C 17 174.646 173.528 1.118 1
1 119 . 5 1 1 A 18 18 PHE N N 18 121.605 115.817 5.788 1
1 120 . 5 1 1 A 18 18 PHE H H 18 8.560 8.497 0.063 1
1 121 . 5 1 1 A 18 18 PHE CA C 18 56.963 56.386 0.577 1
1 122 . 5 1 1 A 18 18 PHE HA H 18 4.675 5.219 -0.544 1
1 123 . 5 1 1 A 18 18 PHE CB C 18 39.653 43.821 -4.168 1
1 134 . 5 1 1 A 18 18 PHE C C 18 173.933 174.762 -0.829 1
1 135 . 5 1 1 A 19 19 ILE N N 19 123.977 119.430 4.547 1
1 136 . 5 1 1 A 19 19 ILE H H 19 8.425 8.751 -0.326 1
1 137 . 5 1 1 A 19 19 ILE CA C 19 59.740 59.996 -0.256 1
1 138 . 5 1 1 A 19 19 ILE HA H 19 4.654 4.859 -0.205 1
1 139 . 5 1 1 A 19 19 ILE CB C 19 41.000 41.759 -0.759 1
1 152 . 5 1 1 A 19 19 ILE C C 19 175.584 174.933 0.651 1
1 153 . 5 1 1 A 20 20 CYS N N 20 129.741 127.223 2.518 1
1 154 . 5 1 1 A 20 20 CYS H H 20 9.224 9.352 -0.128 1
1 155 . 5 1 1 A 20 20 CYS CA C 20 59.974 59.376 0.598 1
1 156 . 5 1 1 A 20 20 CYS HA H 20 4.827 4.375 0.452 1
1 157 . 5 1 1 A 20 20 CYS CB C 20 30.335 29.075 1.260 1
1 160 . 5 1 1 A 20 20 CYS C C 20 178.043 175.581 2.462 1
1 161 . 5 1 1 A 21 21 LYS N N 21 132.598 122.636 9.962 1
1 162 . 5 1 1 A 21 21 LYS H H 21 9.473 8.356 1.117 1
1 163 . 5 1 1 A 21 21 LYS CA C 21 58.099 56.659 1.440 1
1 164 . 5 1 1 A 21 21 LYS HA H 21 4.104 4.444 -0.340 1
1 165 . 5 1 1 A 21 21 LYS CB C 21 31.695 33.824 -2.129 1
1 177 . 5 1 1 A 21 21 LYS C C 21 175.765 178.325 -2.560 1
1 178 . 5 1 1 A 22 22 PHE N N 22 121.000 117.896 3.104 1
1 179 . 5 1 1 A 22 22 PHE H H 22 9.158 8.058 1.100 1
1 180 . 5 1 1 A 22 22 PHE CA C 22 59.743 59.559 0.184 1
1 181 . 5 1 1 A 22 22 PHE HA H 22 4.394 4.104 0.290 1
1 182 . 5 1 1 A 22 22 PHE CB C 22 37.953 37.195 0.758 1
1 195 . 5 1 1 A 22 22 PHE C C 22 176.819 176.904 -0.085 1
1 196 . 5 1 1 A 23 23 CYS N N 23 115.955 113.342 2.613 1
1 197 . 5 1 1 A 23 23 CYS H H 23 8.410 7.920 0.490 1
1 198 . 5 1 1 A 23 23 CYS CA C 23 58.486 59.566 -1.080 1
1 199 . 5 1 1 A 23 23 CYS HA H 23 5.262 4.742 0.520 1
1 200 . 5 1 1 A 23 23 CYS CB C 23 33.092 30.336 2.756 1
1 203 . 5 1 1 A 23 23 CYS C C 23 176.770 176.097 0.673 1
1 204 . 5 1 1 A 24 24 GLY N N 24 112.575 110.605 1.970 1
1 205 . 5 1 1 A 24 24 GLY H H 24 8.092 8.299 -0.207 1
1 206 . 5 1 1 A 24 24 GLY CA C 24 46.302 45.803 0.499 1
1 207 . 5 1 1 A 24 24 GLY HA2 H 24 4.238 3.987 0.251 1
1 208 . 5 1 1 A 24 24 GLY HA3 H 24 3.776 3.992 -0.216 1
1 209 . 5 1 1 A 24 24 GLY C C 24 173.621 174.653 -1.032 1
1 210 . 5 1 1 A 25 25 ARG N N 25 122.678 122.484 0.194 1
1 211 . 5 1 1 A 25 25 ARG H H 25 8.079 7.776 0.303 1
1 212 . 5 1 1 A 25 25 ARG CA C 25 58.063 56.167 1.896 1
1 213 . 5 1 1 A 25 25 ARG HA H 25 4.096 4.507 -0.411 1
1 214 . 5 1 1 A 25 25 ARG CB C 25 31.628 31.577 0.051 1
1 223 . 5 1 1 A 25 25 ARG C C 25 174.641 175.964 -1.323 1
1 224 . 5 1 1 A 26 26 HIS N N 26 121.510 123.481 -1.971 1
1 225 . 5 1 1 A 26 26 HIS H H 26 8.454 8.965 -0.511 1
1 226 . 5 1 1 A 26 26 HIS CA C 26 55.553 55.658 -0.105 1
1 227 . 5 1 1 A 26 26 HIS HA H 26 5.166 5.418 -0.252 1
1 228 . 5 1 1 A 26 26 HIS CB C 26 32.066 32.215 -0.149 1
1 235 . 5 1 1 A 26 26 HIS C C 26 174.732 174.442 0.290 1
1 236 . 5 1 1 A 27 27 PHE N N 27 119.065 118.930 0.135 1
1 237 . 5 1 1 A 27 27 PHE H H 27 9.035 8.847 0.188 1
1 238 . 5 1 1 A 27 27 PHE CA C 27 57.515 56.695 0.820 1
1 239 . 5 1 1 A 27 27 PHE HA H 27 4.724 4.926 -0.202 1
1 240 . 5 1 1 A 27 27 PHE CB C 27 43.276 43.599 -0.323 1
1 253 . 5 1 1 A 27 27 PHE C C 27 175.205 175.488 -0.283 1
1 254 . 5 1 1 A 28 28 THR CA C 28 62.856 64.069 -1.213 1
1 255 . 5 1 1 A 28 28 THR HA H 28 4.691 4.428 0.263 1
1 256 . 5 1 1 A 28 28 THR CB C 28 69.897 69.570 0.327 1
1 262 . 5 1 1 A 28 28 THR C C 28 174.714 174.561 0.153 1
1 263 . 5 1 1 A 29 29 LYS N N 29 118.993 120.521 -1.528 1
1 264 . 5 1 1 A 29 29 LYS H H 29 7.456 7.795 -0.339 1
1 265 . 5 1 1 A 29 29 LYS CA C 29 54.239 55.072 -0.833 1
1 266 . 5 1 1 A 29 29 LYS HA H 29 4.573 4.585 -0.012 1
1 267 . 5 1 1 A 29 29 LYS CB C 29 35.412 33.974 1.438 1
1 279 . 5 1 1 A 29 29 LYS C C 29 176.395 177.025 -0.630 1
1 280 . 5 1 1 A 30 30 SER CA C 30 60.921 62.092 -1.171 1
1 281 . 5 1 1 A 30 30 SER HA H 30 3.025 4.328 -1.303 1
1 282 . 5 1 1 A 30 30 SER CB C 30 61.703 63.052 -1.349 1
1 285 . 5 1 1 A 31 31 TYR CA C 31 60.807 61.080 -0.273 1
1 286 . 5 1 1 A 31 31 TYR HA H 31 4.101 4.175 -0.074 1
1 287 . 5 1 1 A 31 31 TYR CB C 31 38.408 38.566 -0.158 1
1 298 . 5 1 1 A 31 31 TYR C C 31 176.455 177.670 -1.215 1
1 299 . 5 1 1 A 32 32 ASN N N 32 114.304 118.162 -3.858 1
1 300 . 5 1 1 A 32 32 ASN H H 32 6.481 8.420 -1.939 1
1 301 . 5 1 1 A 32 32 ASN CA C 32 55.198 56.365 -1.167 1
1 302 . 5 1 1 A 32 32 ASN HA H 32 4.283 4.681 -0.398 1
1 303 . 5 1 1 A 32 32 ASN CB C 32 37.912 39.411 -1.499 1
1 309 . 5 1 1 A 32 32 ASN C C 32 177.633 177.767 -0.134 1
1 310 . 5 1 1 A 33 33 LEU N N 33 121.854 120.533 1.321 1
1 311 . 5 1 1 A 33 33 LEU H H 33 7.002 7.391 -0.389 1
1 312 . 5 1 1 A 33 33 LEU CA C 33 57.820 57.423 0.397 1
1 313 . 5 1 1 A 33 33 LEU HA H 33 2.922 3.191 -0.269 1
1 314 . 5 1 1 A 33 33 LEU CB C 33 40.350 41.276 -0.926 1
1 327 . 5 1 1 A 33 33 LEU C C 33 176.900 178.169 -1.269 1
1 328 . 5 1 1 A 34 34 LEU N N 34 120.140 117.012 3.128 1
1 329 . 5 1 1 A 34 34 LEU H H 34 7.795 7.669 0.126 1
1 330 . 5 1 1 A 34 34 LEU CA C 34 58.506 58.044 0.462 1
1 331 . 5 1 1 A 34 34 LEU HA H 34 3.933 3.879 0.054 1
1 332 . 5 1 1 A 34 34 LEU CB C 34 41.523 41.091 0.432 1
1 345 . 5 1 1 A 34 34 LEU C C 34 179.914 179.155 0.759 1
1 346 . 5 1 1 A 35 35 ILE N N 35 116.693 119.926 -3.233 1
1 347 . 5 1 1 A 35 35 ILE H H 35 7.368 7.821 -0.453 1
1 348 . 5 1 1 A 35 35 ILE CA C 35 63.641 65.221 -1.580 1
1 349 . 5 1 1 A 35 35 ILE HA H 35 3.533 3.593 -0.060 1
1 350 . 5 1 1 A 35 35 ILE CB C 35 37.380 37.556 -0.176 1
1 363 . 5 1 1 A 35 35 ILE C C 35 178.700 178.572 0.128 1
1 364 . 5 1 1 A 36 36 HIS N N 36 119.039 120.332 -1.293 1
1 365 . 5 1 1 A 36 36 HIS H H 36 7.424 8.161 -0.737 1
1 366 . 5 1 1 A 36 36 HIS CA C 36 59.486 59.763 -0.277 1
1 367 . 5 1 1 A 36 36 HIS HA H 36 4.282 4.325 -0.043 1
1 368 . 5 1 1 A 36 36 HIS CB C 36 28.563 30.163 -1.600 1
1 375 . 5 1 1 A 36 36 HIS C C 36 178.907 177.453 1.454 1
1 376 . 5 1 1 A 37 37 GLU N N 37 122.627 117.567 5.060 1
1 377 . 5 1 1 A 37 37 GLU H H 37 9.459 8.154 1.305 1
1 378 . 5 1 1 A 37 37 GLU CA C 37 61.473 60.019 1.454 1
1 379 . 5 1 1 A 37 37 GLU HA H 37 3.922 3.894 0.028 1
1 380 . 5 1 1 A 37 37 GLU CB C 37 30.028 29.221 0.807 1
1 386 . 5 1 1 A 37 37 GLU C C 37 178.840 179.325 -0.485 1
1 387 . 5 1 1 A 38 38 ARG N N 38 116.143 120.247 -4.104 1
1 388 . 5 1 1 A 38 38 ARG H H 38 7.244 7.418 -0.174 1
1 389 . 5 1 1 A 38 38 ARG CA C 38 58.258 59.178 -0.920 1
1 390 . 5 1 1 A 38 38 ARG HA H 38 4.129 4.032 0.097 1
1 391 . 5 1 1 A 38 38 ARG CB C 38 30.054 29.733 0.321 1
1 400 . 5 1 1 A 38 38 ARG C C 38 177.863 179.127 -1.264 1
1 401 . 5 1 1 A 39 39 THR N N 39 109.313 113.153 -3.840 1
1 402 . 5 1 1 A 39 39 THR H H 39 7.639 8.272 -0.633 1
1 403 . 5 1 1 A 39 39 THR CA C 39 63.892 64.855 -0.963 1
1 404 . 5 1 1 A 39 39 THR HA H 39 4.075 3.949 0.126 1
1 405 . 5 1 1 A 39 39 THR CB C 39 69.337 68.463 0.874 1
1 411 . 5 1 1 A 39 39 THR C C 39 175.843 176.603 -0.760 1
1 412 . 5 1 1 A 40 40 HIS N N 40 119.019 118.555 0.464 1
1 413 . 5 1 1 A 40 40 HIS H H 40 7.046 7.158 -0.112 1
1 414 . 5 1 1 A 40 40 HIS CA C 40 55.942 58.795 -2.853 1
1 415 . 5 1 1 A 40 40 HIS HA H 40 4.410 4.061 0.349 1
1 416 . 5 1 1 A 40 40 HIS CB C 40 27.446 29.984 -2.538 1
1 423 . 5 1 1 A 40 40 HIS C C 40 175.528 175.332 0.196 1
1 424 . 5 1 1 A 41 41 THR N N 41 111.847 110.881 0.966 1
1 425 . 5 1 1 A 41 41 THR H H 41 7.579 7.164 0.415 1
1 426 . 5 1 1 A 41 41 THR CA C 41 62.200 62.185 0.015 1
1 427 . 5 1 1 A 41 41 THR HA H 41 4.152 4.113 0.039 1
1 428 . 5 1 1 A 41 41 THR CB C 41 69.440 69.500 -0.060 1
1 434 . 5 1 1 A 41 41 THR C C 41 174.484 173.620 0.864 1
1 435 . 5 1 1 A 42 42 ASP N N 42 122.207 124.600 -2.393 1
1 436 . 5 1 1 A 42 42 ASP H H 42 8.191 8.660 -0.469 1
1 437 . 5 1 1 A 42 42 ASP CA C 42 54.373 52.920 1.453 1
1 438 . 5 1 1 A 42 42 ASP HA H 42 4.524 5.004 -0.480 1
1 439 . 5 1 1 A 42 42 ASP CB C 42 41.045 40.600 0.445 1
1 442 . 5 1 1 A 42 42 ASP C C 42 175.869 175.245 0.624 1
1 443 . 5 1 1 A 43 43 GLU N N 43 120.562 121.627 -1.065 1
1 444 . 5 1 1 A 43 43 GLU H H 43 8.064 8.354 -0.290 1
1 445 . 5 1 1 A 43 43 GLU CA C 43 57.378 54.544 2.834 1
1 446 . 5 1 1 A 43 43 GLU HA H 43 4.098 4.691 -0.593 1
1 447 . 5 1 1 A 43 43 GLU CB C 43 30.262 31.054 -0.792 1
1 453 . 5 1 1 A 43 43 GLU C C 43 176.313 175.983 0.330 1
1 454 . 5 1 1 A 44 44 ARG N N 44 120.015 121.372 -1.357 1
1 455 . 5 1 1 A 44 44 ARG H H 44 8.190 8.408 -0.218 1
1 456 . 5 1 1 A 44 44 ARG CA C 44 53.266 55.032 -1.766 1
1 457 . 5 1 1 A 44 44 ARG HA H 44 4.533 4.213 0.320 1
1 458 . 5 1 1 A 44 44 ARG CB C 44 30.702 29.977 0.725 1
1 467 . 5 1 1 A 44 44 ARG C C 44 173.360 176.714 -3.354 1
1 468 . 5 1 1 A 45 45 PRO CA C 45 63.459 65.185 -1.726 1
1 469 . 5 1 1 A 45 45 PRO HA H 45 4.298 4.275 0.023 1
1 470 . 5 1 1 A 45 45 PRO CB C 45 32.219 31.511 0.708 1
1 479 . 5 1 1 A 45 45 PRO C C 45 176.492 175.814 0.678 1
1 480 . 5 1 1 A 46 46 TYR N N 46 119.184 118.398 0.786 1
1 481 . 5 1 1 A 46 46 TYR H H 46 7.840 7.635 0.205 1
1 482 . 5 1 1 A 46 46 TYR CA C 46 57.533 58.467 -0.934 1
1 483 . 5 1 1 A 46 46 TYR HA H 46 4.757 4.608 0.149 1
1 484 . 5 1 1 A 46 46 TYR CB C 46 38.646 38.440 0.206 1
1 495 . 5 1 1 A 46 46 TYR C C 46 175.414 175.761 -0.347 1
1 496 . 5 1 1 A 47 47 THR N N 47 117.631 118.248 -0.617 1
1 497 . 5 1 1 A 47 47 THR H H 47 8.607 8.820 -0.213 1
1 498 . 5 1 1 A 47 47 THR CA C 47 60.593 61.325 -0.732 1
1 499 . 5 1 1 A 47 47 THR HA H 47 5.130 5.239 -0.109 1
1 500 . 5 1 1 A 47 47 THR CB C 47 71.076 71.995 -0.919 1
1 506 . 5 1 1 A 47 47 THR C C 47 173.697 173.240 0.457 1
1 507 . 5 1 1 A 48 48 CYS N N 48 127.009 125.224 1.785 1
1 508 . 5 1 1 A 48 48 CYS H H 48 9.072 8.936 0.136 1
1 509 . 5 1 1 A 48 48 CYS CA C 48 60.153 58.926 1.227 1
1 510 . 5 1 1 A 48 48 CYS HA H 48 4.422 4.668 -0.246 1
1 511 . 5 1 1 A 48 48 CYS CB C 48 29.832 29.011 0.821 1
1 514 . 5 1 1 A 48 48 CYS C C 48 176.023 174.513 1.510 1
1 515 . 5 1 1 A 49 49 ASP N N 49 129.691 123.945 5.746 1
1 516 . 5 1 1 A 49 49 ASP H H 49 9.129 8.880 0.249 1
1 517 . 5 1 1 A 49 49 ASP CA C 49 55.499 54.970 0.529 1
1 518 . 5 1 1 A 49 49 ASP HA H 49 4.353 4.728 -0.375 1
1 519 . 5 1 1 A 49 49 ASP CB C 49 39.656 42.477 -2.821 1
1 522 . 5 1 1 A 49 49 ASP C C 49 175.094 177.476 -2.382 1
1 523 . 5 1 1 A 50 50 ILE N N 50 121.649 116.884 4.765 1
1 524 . 5 1 1 A 50 50 ILE H H 50 8.661 7.578 1.083 1
1 525 . 5 1 1 A 50 50 ILE CA C 50 62.888 62.895 -0.007 1
1 526 . 5 1 1 A 50 50 ILE HA H 50 3.837 4.165 -0.328 1
1 527 . 5 1 1 A 50 50 ILE CB C 50 38.652 38.164 0.488 1
1 540 . 5 1 1 A 50 50 ILE C C 50 176.439 177.790 -1.351 1
1 541 . 5 1 1 A 51 51 CYS N N 51 116.341 118.152 -1.811 1
1 542 . 5 1 1 A 51 51 CYS H H 51 7.973 7.940 0.033 1
1 543 . 5 1 1 A 51 51 CYS CA C 51 58.192 60.455 -2.263 1
1 544 . 5 1 1 A 51 51 CYS HA H 51 4.922 4.449 0.473 1
1 545 . 5 1 1 A 51 51 CYS CB C 51 32.086 28.404 3.682 1
1 548 . 5 1 1 A 51 51 CYS C C 51 175.814 175.310 0.504 1
1 549 . 5 1 1 A 52 52 HIS N N 52 116.961 119.482 -2.521 1
1 550 . 5 1 1 A 52 52 HIS H H 52 7.714 8.230 -0.516 1
1 551 . 5 1 1 A 52 52 HIS CA C 52 58.187 56.626 1.561 1
1 552 . 5 1 1 A 52 52 HIS HA H 52 4.521 4.217 0.304 1
1 553 . 5 1 1 A 52 52 HIS CB C 52 27.079 28.001 -0.922 1
1 560 . 5 1 1 A 52 52 HIS C C 52 174.215 174.094 0.121 1
1 561 . 5 1 1 A 53 53 LYS N N 53 122.651 118.739 3.912 1
1 562 . 5 1 1 A 53 53 LYS H H 53 7.902 8.059 -0.157 1
1 563 . 5 1 1 A 53 53 LYS CA C 53 58.205 55.305 2.900 1
1 564 . 5 1 1 A 53 53 LYS HA H 53 4.051 4.262 -0.211 1
1 565 . 5 1 1 A 53 53 LYS CB C 53 33.868 33.207 0.661 1
1 577 . 5 1 1 A 53 53 LYS C C 53 173.816 175.663 -1.847 1
1 578 . 5 1 1 A 54 54 ALA N N 54 124.589 125.600 -1.011 1
1 579 . 5 1 1 A 54 54 ALA H H 54 7.885 8.424 -0.539 1
1 580 . 5 1 1 A 54 54 ALA CA C 54 50.573 50.620 -0.047 1
1 581 . 5 1 1 A 54 54 ALA HA H 54 5.098 5.360 -0.262 1
1 582 . 5 1 1 A 54 54 ALA CB C 54 22.290 21.077 1.213 1
1 586 . 5 1 1 A 54 54 ALA C C 54 176.763 176.486 0.277 1
1 587 . 5 1 1 A 55 55 PHE N N 55 117.946 118.271 -0.325 1
1 588 . 5 1 1 A 55 55 PHE H H 55 9.044 8.886 0.158 1
1 589 . 5 1 1 A 55 55 PHE CA C 55 57.320 56.810 0.510 1
1 590 . 5 1 1 A 55 55 PHE HA H 55 4.724 4.954 -0.230 1
1 591 . 5 1 1 A 55 55 PHE CB C 55 43.710 43.877 -0.167 1
1 604 . 5 1 1 A 55 55 PHE C C 55 175.251 175.481 -0.230 1
1 605 . 5 1 1 A 56 56 ARG N N 56 119.843 121.745 -1.902 1
1 606 . 5 1 1 A 56 56 ARG H H 56 9.587 8.780 0.807 1
1 607 . 5 1 1 A 56 56 ARG CA C 56 58.117 57.181 0.936 1
1 608 . 5 1 1 A 56 56 ARG HA H 56 4.603 4.326 0.277 1
1 609 . 5 1 1 A 56 56 ARG CB C 56 31.741 31.398 0.343 1
1 618 . 5 1 1 A 56 56 ARG C C 56 176.201 175.449 0.752 1
1 619 . 5 1 1 A 57 57 ARG N N 57 113.134 118.113 -4.979 1
1 620 . 5 1 1 A 57 57 ARG H H 57 7.273 7.636 -0.363 1
1 621 . 5 1 1 A 57 57 ARG CA C 57 53.978 54.811 -0.833 1
1 622 . 5 1 1 A 57 57 ARG HA H 57 4.650 4.139 0.511 1
1 623 . 5 1 1 A 57 57 ARG CB C 57 34.701 31.604 3.097 1
1 632 . 5 1 1 A 57 57 ARG C C 57 176.296 176.538 -0.242 1
1 633 . 5 1 1 A 58 58 GLN N N 58 124.070 123.257 0.813 1
1 634 . 5 1 1 A 58 58 GLN H H 58 8.583 8.853 -0.270 1
1 635 . 5 1 1 A 58 58 GLN CA C 58 59.036 59.024 0.012 1
1 636 . 5 1 1 A 58 58 GLN HA H 58 3.004 3.939 -0.935 1
1 637 . 5 1 1 A 58 58 GLN CB C 58 28.229 29.172 -0.943 1
1 646 . 5 1 1 A 58 58 GLN C C 58 177.925 177.322 0.603 1
1 647 . 5 1 1 A 59 59 ASP CA C 59 56.406 57.670 -1.264 1
1 648 . 5 1 1 A 59 59 ASP HA H 59 4.046 4.212 -0.166 1
1 649 . 5 1 1 A 59 59 ASP CB C 59 38.248 40.225 -1.977 1
1 652 . 5 1 1 A 59 59 ASP C C 59 177.698 178.780 -1.082 1
1 653 . 5 1 1 A 60 60 HIS N N 60 119.173 118.295 0.878 1
1 654 . 5 1 1 A 60 60 HIS H H 60 6.954 8.125 -1.171 1
1 655 . 5 1 1 A 60 60 HIS CA C 60 56.843 58.936 -2.093 1
1 656 . 5 1 1 A 60 60 HIS HA H 60 4.432 4.290 0.142 1
1 657 . 5 1 1 A 60 60 HIS CB C 60 31.752 29.936 1.816 1
1 664 . 5 1 1 A 60 60 HIS C C 60 178.617 177.769 0.848 1
1 665 . 5 1 1 A 61 61 LEU N N 61 120.844 120.209 0.635 1
1 666 . 5 1 1 A 61 61 LEU H H 61 6.979 8.281 -1.302 1
1 667 . 5 1 1 A 61 61 LEU CA C 61 57.728 57.380 0.348 1
1 668 . 5 1 1 A 61 61 LEU HA H 61 3.145 2.809 0.336 1
1 669 . 5 1 1 A 61 61 LEU CB C 61 40.153 41.144 -0.991 1
1 682 . 5 1 1 A 61 61 LEU C C 61 176.855 178.602 -1.747 1
1 683 . 5 1 1 A 62 62 ARG N N 62 120.225 119.229 0.996 1
1 684 . 5 1 1 A 62 62 ARG H H 62 8.012 8.263 -0.251 1
1 685 . 5 1 1 A 62 62 ARG CA C 62 59.526 59.558 -0.032 1
1 686 . 5 1 1 A 62 62 ARG HA H 62 3.724 4.039 -0.315 1
1 687 . 5 1 1 A 62 62 ARG CB C 62 29.388 30.007 -0.619 1
1 696 . 5 1 1 A 62 62 ARG C C 62 178.582 178.267 0.315 1
1 697 . 5 1 1 A 63 63 ASP N N 63 117.219 119.785 -2.566 1
1 698 . 5 1 1 A 63 63 ASP H H 63 7.823 8.469 -0.646 1
1 699 . 5 1 1 A 63 63 ASP CA C 63 56.694 56.962 -0.268 1
1 700 . 5 1 1 A 63 63 ASP HA H 63 4.401 4.313 0.088 1
1 701 . 5 1 1 A 63 63 ASP CB C 63 40.226 41.536 -1.310 1
1 704 . 5 1 1 A 63 63 ASP C C 63 178.560 178.304 0.256 1
1 705 . 5 1 1 A 64 64 HIS N N 64 119.185 118.847 0.338 1
1 706 . 5 1 1 A 64 64 HIS H H 64 7.606 7.921 -0.315 1
1 707 . 5 1 1 A 64 64 HIS CA C 64 58.772 59.865 -1.093 1
1 708 . 5 1 1 A 64 64 HIS HA H 64 4.211 4.213 -0.002 1
1 709 . 5 1 1 A 64 64 HIS CB C 64 28.533 29.812 -1.279 1
1 716 . 5 1 1 A 64 64 HIS C C 64 176.334 177.423 -1.089 1
1 717 . 5 1 1 A 65 65 ARG N N 65 116.490 118.757 -2.267 1
1 718 . 5 1 1 A 65 65 ARG H H 65 8.157 8.138 0.019 1
1 719 . 5 1 1 A 65 65 ARG CA C 65 59.666 59.311 0.355 1
1 720 . 5 1 1 A 65 65 ARG HA H 65 3.576 4.247 -0.671 1
1 721 . 5 1 1 A 65 65 ARG CB C 65 29.958 29.942 0.016 1
1 730 . 5 1 1 A 65 65 ARG C C 65 178.301 178.268 0.033 1
1 731 . 5 1 1 A 66 66 TYR N N 66 117.286 120.138 -2.852 1
1 732 . 5 1 1 A 66 66 TYR H H 66 7.169 7.800 -0.631 1
1 733 . 5 1 1 A 66 66 TYR CA C 66 60.186 61.284 -1.098 1
1 734 . 5 1 1 A 66 66 TYR HA H 66 4.339 4.103 0.236 1
1 735 . 5 1 1 A 66 66 TYR CB C 66 37.960 38.819 -0.859 1
1 746 . 5 1 1 A 66 66 TYR C C 66 178.191 177.630 0.561 1
1 747 . 5 1 1 A 67 67 ILE N N 67 117.609 114.279 3.330 1
1 748 . 5 1 1 A 67 67 ILE H H 67 7.883 8.131 -0.248 1
1 749 . 5 1 1 A 67 67 ILE CA C 67 63.440 63.822 -0.382 1
1 750 . 5 1 1 A 67 67 ILE HA H 67 3.836 3.828 0.008 1
1 751 . 5 1 1 A 67 67 ILE CB C 67 37.482 37.168 0.314 1
1 764 . 5 1 1 A 67 67 ILE C C 67 177.511 176.202 1.309 1
1 765 . 5 1 1 A 68 68 HIS N N 68 116.764 121.987 -5.223 1
1 766 . 5 1 1 A 68 68 HIS H H 68 7.140 7.731 -0.591 1
1 767 . 5 1 1 A 68 68 HIS CA C 68 55.340 55.741 -0.401 1
1 768 . 5 1 1 A 68 68 HIS HA H 68 4.768 4.611 0.157 1
1 769 . 5 1 1 A 68 68 HIS CB C 68 28.687 30.608 -1.921 1
1 776 . 5 1 1 A 68 68 HIS C C 68 175.627 175.308 0.319 1
1 777 . 5 1 1 A 69 69 SER N N 69 114.870 118.655 -3.785 1
1 778 . 5 1 1 A 69 69 SER H H 69 7.731 8.705 -0.974 1
1 779 . 5 1 1 A 69 69 SER CA C 69 59.200 58.685 0.515 1
1 780 . 5 1 1 A 69 69 SER HA H 69 4.379 4.312 0.067 1
1 781 . 5 1 1 A 69 69 SER CB C 69 63.765 64.175 -0.410 1
1 784 . 5 1 1 A 69 69 SER C C 69 174.692 174.686 0.006 1
1 785 . 5 1 1 A 70 70 LYS N N 70 121.978 122.147 -0.169 1
1 786 . 5 1 1 A 70 70 LYS H H 70 8.063 8.525 -0.462 1
1 787 . 5 1 1 A 70 70 LYS CA C 70 56.825 56.204 0.621 1
1 788 . 5 1 1 A 70 70 LYS HA H 70 4.214 4.313 -0.099 1
1 789 . 5 1 1 A 70 70 LYS CB C 70 32.539 33.334 -0.795 1
1 801 . 5 1 1 A 70 70 LYS C C 70 176.806 176.009 0.797 1
1 802 . 5 1 1 A 71 71 GLU N N 71 120.177 121.130 -0.953 1
1 803 . 5 1 1 A 71 71 GLU H H 71 8.008 8.585 -0.577 1
1 804 . 5 1 1 A 71 71 GLU CA C 71 56.472 56.827 -0.355 1
1 805 . 5 1 1 A 71 71 GLU HA H 71 4.191 4.221 -0.030 1
1 806 . 5 1 1 A 71 71 GLU CB C 71 29.335 29.814 -0.479 1
1 811 . 5 1 1 A 71 71 GLU C C 71 176.040 176.078 -0.038 1
1 812 . 5 1 1 A 72 72 LYS N N 72 121.800 126.000 -4.200 1
1 813 . 5 1 1 A 72 72 LYS H H 72 8.277 8.521 -0.244 1
1 814 . 5 1 1 A 72 72 LYS CA C 72 53.820 54.338 -0.518 1
1 815 . 5 1 1 A 72 72 LYS HA H 72 4.391 4.468 -0.077 1
1 816 . 5 1 1 A 72 72 LYS CB C 72 32.139 33.555 -1.416 1
1 828 . 5 1 1 A 72 72 LYS C C 72 174.768 176.580 -1.812 1
1 829 . 5 1 1 A 73 73 PRO CA C 73 63.978 64.704 -0.726 1
1 830 . 5 1 1 A 73 73 PRO HA H 73 4.144 4.538 -0.394 1
1 831 . 5 1 1 A 73 73 PRO CB C 73 31.953 31.952 0.001 1
1 840 . 5 1 1 A 73 73 PRO C C 73 176.402 176.781 -0.379 1
1 841 . 5 1 1 A 74 74 PHE N N 74 117.425 116.614 0.811 1
1 842 . 5 1 1 A 74 74 PHE H H 74 7.686 8.297 -0.611 1
1 843 . 5 1 1 A 74 74 PHE CA C 74 57.020 57.058 -0.038 1
1 844 . 5 1 1 A 74 74 PHE HA H 74 4.691 4.745 -0.054 1
1 845 . 5 1 1 A 74 74 PHE CB C 74 39.403 38.390 1.013 1
1 856 . 5 1 1 A 74 74 PHE C C 74 174.442 174.676 -0.234 1
1 857 . 5 1 1 A 75 75 LYS N N 75 123.931 117.753 6.178 1
1 858 . 5 1 1 A 75 75 LYS H H 75 8.590 7.605 0.985 1
1 859 . 5 1 1 A 75 75 LYS CA C 75 54.951 54.040 0.911 1
1 860 . 5 1 1 A 75 75 LYS HA H 75 5.021 4.987 0.034 1
1 861 . 5 1 1 A 75 75 LYS CB C 75 35.286 36.363 -1.077 1
1 873 . 5 1 1 A 75 75 LYS C C 75 175.465 175.571 -0.106 1
1 874 . 5 1 1 A 76 76 CYS N N 76 126.279 123.468 2.811 1
1 875 . 5 1 1 A 76 76 CYS H H 76 9.149 9.051 0.098 1
1 876 . 5 1 1 A 76 76 CYS CA C 76 59.553 59.930 -0.377 1
1 877 . 5 1 1 A 76 76 CYS HA H 76 4.462 4.412 0.050 1
1 878 . 5 1 1 A 76 76 CYS CB C 76 29.772 28.745 1.027 1
1 881 . 5 1 1 A 76 76 CYS C C 76 177.367 176.264 1.103 1
1 882 . 5 1 1 A 77 77 GLN CA C 77 58.117 57.674 0.443 1
1 883 . 5 1 1 A 77 77 GLN HA H 77 4.130 4.313 -0.183 1
1 884 . 5 1 1 A 77 77 GLN CB C 77 28.479 29.595 -1.116 1
1 893 . 5 1 1 A 77 77 GLN C C 77 176.283 178.167 -1.884 1
1 894 . 5 1 1 A 78 78 GLU N N 78 120.320 119.522 0.798 1
1 895 . 5 1 1 A 78 78 GLU H H 78 8.682 8.011 0.671 1
1 896 . 5 1 1 A 78 78 GLU CA C 78 58.540 58.901 -0.361 1
1 897 . 5 1 1 A 78 78 GLU HA H 78 4.165 3.969 0.196 1
1 898 . 5 1 1 A 78 78 GLU CB C 78 29.469 28.752 0.717 1
1 904 . 5 1 1 A 78 78 GLU C C 78 177.275 178.534 -1.259 1
1 905 . 5 1 1 A 79 79 CYS N N 79 114.728 115.046 -0.318 1
1 906 . 5 1 1 A 79 79 CYS H H 79 8.018 7.342 0.676 1
1 907 . 5 1 1 A 79 79 CYS CA C 79 58.271 59.867 -1.596 1
1 908 . 5 1 1 A 79 79 CYS HA H 79 5.142 4.546 0.596 1
1 909 . 5 1 1 A 79 79 CYS CB C 79 32.339 29.256 3.083 1
1 912 . 5 1 1 A 79 79 CYS C C 79 176.280 175.609 0.671 1
1 913 . 5 1 1 A 80 80 GLY N N 80 113.675 111.243 2.432 1
1 914 . 5 1 1 A 80 80 GLY H H 80 8.133 8.169 -0.036 1
1 915 . 5 1 1 A 80 80 GLY CA C 80 46.206 46.832 -0.626 1
1 916 . 5 1 1 A 80 80 GLY HA2 H 80 4.213 3.967 0.246 1
1 917 . 5 1 1 A 80 80 GLY HA3 H 80 3.755 4.013 -0.258 1
1 918 . 5 1 1 A 80 80 GLY C C 80 173.619 174.537 -0.918 1
1 919 . 5 1 1 A 81 81 LYS N N 81 122.811 117.207 5.604 1
1 920 . 5 1 1 A 81 81 LYS H H 81 7.945 8.077 -0.132 1
1 921 . 5 1 1 A 81 81 LYS CA C 81 58.211 55.197 3.014 1
1 922 . 5 1 1 A 81 81 LYS HA H 81 3.947 4.437 -0.490 1
1 923 . 5 1 1 A 81 81 LYS CB C 81 33.921 32.867 1.054 1
1 935 . 5 1 1 A 81 81 LYS C C 81 174.639 175.485 -0.846 1
1 936 . 5 1 1 A 82 82 GLY N N 82 108.366 107.455 0.911 1
1 937 . 5 1 1 A 82 82 GLY H H 82 7.936 8.456 -0.520 1
1 938 . 5 1 1 A 82 82 GLY CA C 82 44.048 46.101 -2.053 1
1 939 . 5 1 1 A 82 82 GLY HA2 H 82 4.847 4.039 0.808 1
1 940 . 5 1 1 A 82 82 GLY HA3 H 82 3.291 4.082 -0.791 1
1 941 . 5 1 1 A 82 82 GLY C C 82 172.166 173.761 -1.595 1
1 942 . 5 1 1 A 83 83 PHE N N 83 117.822 124.394 -6.572 1
1 943 . 5 1 1 A 83 83 PHE H H 83 8.697 8.768 -0.071 1
1 944 . 5 1 1 A 83 83 PHE CA C 83 57.338 58.108 -0.770 1
1 945 . 5 1 1 A 83 83 PHE HA H 83 4.755 4.691 0.064 1
1 946 . 5 1 1 A 83 83 PHE CB C 83 43.462 39.975 3.487 1
1 959 . 5 1 1 A 83 83 PHE C C 83 175.424 175.943 -0.519 1
1 960 . 5 1 1 A 84 84 CYS CA C 84 60.706 60.850 -0.144 1
1 961 . 5 1 1 A 84 84 CYS HA H 84 4.608 4.589 0.019 1
1 962 . 5 1 1 A 84 84 CYS CB C 84 28.990 28.902 0.088 1
1 965 . 5 1 1 A 84 84 CYS C C 84 174.163 173.656 0.507 1
1 966 . 5 1 1 A 85 85 GLN N N 85 114.620 118.967 -4.347 1
1 967 . 5 1 1 A 85 85 GLN H H 85 7.326 7.929 -0.603 1
1 968 . 5 1 1 A 85 85 GLN CA C 85 54.098 54.657 -0.559 1
1 969 . 5 1 1 A 85 85 GLN HA H 85 4.648 4.767 -0.119 1
1 970 . 5 1 1 A 85 85 GLN CB C 85 32.066 30.366 1.700 1
1 979 . 5 1 1 A 85 85 GLN C C 85 175.230 176.679 -1.449 1
1 980 . 5 1 1 A 86 86 SER CA C 86 61.164 61.494 -0.330 1
1 981 . 5 1 1 A 86 86 SER HA H 86 3.078 4.240 -1.162 1
1 982 . 5 1 1 A 86 86 SER CB C 86 61.738 62.912 -1.174 1
1 985 . 5 1 1 A 87 87 ARG CA C 87 58.886 58.954 -0.068 1
1 986 . 5 1 1 A 87 87 ARG HA H 87 4.049 4.020 0.029 1
1 987 . 5 1 1 A 87 87 ARG CB C 87 29.519 30.218 -0.699 1
1 996 . 5 1 1 A 87 87 ARG C C 87 177.520 178.619 -1.099 1
1 997 . 5 1 1 A 88 88 THR N N 88 112.500 115.808 -3.308 1
1 998 . 5 1 1 A 88 88 THR H H 88 6.796 7.959 -1.163 1
1 999 . 5 1 1 A 88 88 THR CA C 88 64.598 66.969 -2.371 1
1 1000 . 5 1 1 A 88 88 THR HA H 88 3.844 3.944 -0.100 1
1 1001 . 5 1 1 A 88 88 THR CB C 88 67.809 68.427 -0.618 1
1 1007 . 5 1 1 A 88 88 THR C C 88 177.343 176.011 1.332 1
1 1008 . 5 1 1 A 89 89 LEU N N 89 123.163 120.925 2.238 1
1 1009 . 5 1 1 A 89 89 LEU H H 89 6.898 7.868 -0.970 1
1 1010 . 5 1 1 A 89 89 LEU CA C 89 57.692 57.423 0.269 1
1 1011 . 5 1 1 A 89 89 LEU HA H 89 3.147 3.230 -0.083 1
1 1012 . 5 1 1 A 89 89 LEU CB C 89 40.133 41.615 -1.482 1
1 1025 . 5 1 1 A 89 89 LEU C C 89 176.886 178.479 -1.593 1
1 1026 . 5 1 1 A 90 90 ALA N N 90 120.747 120.152 0.595 1
1 1027 . 5 1 1 A 90 90 ALA H H 90 7.837 7.888 -0.051 1
1 1028 . 5 1 1 A 90 90 ALA CA C 90 55.646 55.189 0.457 1
1 1029 . 5 1 1 A 90 90 ALA HA H 90 3.914 3.917 -0.003 1
1 1030 . 5 1 1 A 90 90 ALA CB C 90 17.722 18.116 -0.394 1
1 1034 . 5 1 1 A 90 90 ALA C C 90 180.692 180.351 0.341 1
1 1035 . 5 1 1 A 91 91 VAL N N 91 117.181 118.589 -1.408 1
1 1036 . 5 1 1 A 91 91 VAL H H 91 7.475 8.226 -0.751 1
1 1037 . 5 1 1 A 91 91 VAL CA C 91 65.880 66.440 -0.560 1
1 1038 . 5 1 1 A 91 91 VAL HA H 91 3.662 3.666 -0.004 1
1 1039 . 5 1 1 A 91 91 VAL CB C 91 32.018 31.733 0.285 1
1 1049 . 5 1 1 A 91 91 VAL C C 91 178.708 178.066 0.642 1
1 1050 . 5 1 1 A 92 92 HIS N N 92 121.501 118.829 2.672 1
1 1051 . 5 1 1 A 92 92 HIS H H 92 7.625 8.588 -0.963 1
1 1052 . 5 1 1 A 92 92 HIS CA C 92 59.553 60.156 -0.603 1
1 1053 . 5 1 1 A 92 92 HIS HA H 92 4.095 4.035 0.060 1
1 1054 . 5 1 1 A 92 92 HIS CB C 92 28.040 29.679 -1.639 1
1 1061 . 5 1 1 A 92 92 HIS C C 92 176.518 176.609 -0.091 1
1 1062 . 5 1 1 A 93 93 LYS N N 93 116.162 117.319 -1.157 1
1 1063 . 5 1 1 A 93 93 LYS H H 93 8.372 7.801 0.571 1
1 1064 . 5 1 1 A 93 93 LYS CA C 93 60.253 58.956 1.297 1
1 1065 . 5 1 1 A 93 93 LYS HA H 93 3.732 3.873 -0.141 1
1 1066 . 5 1 1 A 93 93 LYS CB C 93 32.158 32.172 -0.014 1
1 1078 . 5 1 1 A 93 93 LYS C C 93 179.211 179.132 0.079 1
1 1079 . 5 1 1 A 94 94 THR N N 94 111.607 113.675 -2.068 1
1 1080 . 5 1 1 A 94 94 THR H H 94 7.434 8.207 -0.773 1
1 1081 . 5 1 1 A 94 94 THR CA C 94 65.106 65.686 -0.580 1
1 1082 . 5 1 1 A 94 94 THR HA H 94 4.034 4.041 -0.007 1
1 1083 . 5 1 1 A 94 94 THR CB C 94 69.075 68.257 0.818 1
1 1089 . 5 1 1 A 94 94 THR C C 94 176.406 176.542 -0.136 1
1 1090 . 5 1 1 A 95 95 LEU N N 95 121.689 123.042 -1.353 1
1 1091 . 5 1 1 A 95 95 LEU H H 95 7.725 7.853 -0.128 1
1 1092 . 5 1 1 A 95 95 LEU CA C 95 56.680 58.109 -1.429 1
1 1093 . 5 1 1 A 95 95 LEU HA H 95 4.020 3.848 0.172 1
1 1094 . 5 1 1 A 95 95 LEU CB C 95 41.186 41.621 -0.435 1
1 1107 . 5 1 1 A 95 95 LEU C C 95 178.956 179.171 -0.215 1
1 1108 . 5 1 1 A 96 96 HIS N N 96 114.750 116.533 -1.783 1
1 1109 . 5 1 1 A 96 96 HIS H H 96 7.160 7.430 -0.270 1
1 1110 . 5 1 1 A 96 96 HIS CA C 96 55.206 58.190 -2.984 1
1 1111 . 5 1 1 A 96 96 HIS HA H 96 4.730 4.358 0.372 1
1 1112 . 5 1 1 A 96 96 HIS CB C 96 28.687 29.935 -1.248 1
1 1119 . 5 1 1 A 96 96 HIS C C 96 175.230 175.818 -0.588 1
1 1120 . 5 1 1 A 97 97 MET N N 97 118.984 116.519 2.465 1
1 1121 . 5 1 1 A 97 97 MET H H 97 7.626 7.688 -0.062 1
1 1122 . 5 1 1 A 97 97 MET CA C 97 55.995 55.842 0.153 1
1 1123 . 5 1 1 A 97 97 MET HA H 97 4.424 4.433 -0.009 1
1 1124 . 5 1 1 A 97 97 MET CB C 97 33.065 32.999 0.066 1
1 1134 . 5 1 1 A 97 97 MET C C 97 176.174 175.725 0.449 1
1 1135 . 5 1 1 A 98 98 GLN N N 98 120.828 122.427 -1.599 1
1 1136 . 5 1 1 A 98 98 GLN H H 98 8.271 8.034 0.237 1
1 1137 . 5 1 1 A 98 98 GLN CA C 98 55.951 56.395 -0.444 1
1 1138 . 5 1 1 A 98 98 GLN HA H 98 4.382 4.238 0.144 1
1 1139 . 5 1 1 A 98 98 GLN CB C 98 29.364 29.379 -0.015 1
1 1148 . 5 1 1 A 98 98 GLN C C 98 176.242 175.315 0.927 1
1 1149 . 5 1 1 A 99 99 THR N N 99 114.965 115.471 -0.506 1
1 1150 . 5 1 1 A 99 99 THR H H 99 8.200 8.592 -0.392 1
1 1151 . 5 1 1 A 99 99 THR CA C 99 61.773 60.695 1.078 1
1 1152 . 5 1 1 A 99 99 THR HA H 99 4.374 4.869 -0.495 1
1 1153 . 5 1 1 A 99 99 THR CB C 99 69.654 70.051 -0.397 1
1 1159 . 5 1 1 A 99 99 THR C C 99 174.491 175.431 -0.940 1
1 1160 . 5 1 1 A 100 100 SER N N 100 118.047 118.456 -0.409 1
1 1161 . 5 1 1 A 100 100 SER H H 100 8.311 8.792 -0.481 1
1 1162 . 5 1 1 A 100 100 SER CA C 100 58.240 60.251 -2.011 1
1 1163 . 5 1 1 A 100 100 SER HA H 100 4.493 4.329 0.164 1
1 1164 . 5 1 1 A 100 100 SER CB C 100 63.843 63.480 0.363 1
1 1167 . 5 1 1 A 100 100 SER C C 100 174.152 174.024 0.128 1
1 1168 . 5 1 1 A 101 101 SER N N 101 118.812 116.175 2.637 1
1 1169 . 5 1 1 A 101 101 SER H H 101 8.358 7.729 0.629 1
1 1170 . 5 1 1 A 101 101 SER CA C 101 56.348 55.786 0.562 1
1 1171 . 5 1 1 A 101 101 SER HA H 101 4.773 4.845 -0.072 1
1 1172 . 5 1 1 A 101 101 SER CB C 101 63.554 66.376 -2.822 1
1 1175 . 5 1 1 A 101 101 SER C C 101 172.898 171.592 1.306 1
1 1176 . 5 1 1 A 102 102 PRO CA C 102 63.453 62.322 1.131 1
1 1177 . 5 1 1 A 102 102 PRO HA H 102 4.485 4.738 -0.253 1
1 1178 . 5 1 1 A 102 102 PRO CB C 102 32.126 29.751 2.375 1
1 1187 . 5 1 1 A 102 102 PRO C C 102 177.181 176.393 0.788 1
1 1188 . 5 1 1 A 103 103 THR N N 103 114.257 117.837 -3.580 1
1 1189 . 5 1 1 A 103 103 THR H H 103 8.188 8.242 -0.054 1
1 1190 . 5 1 1 A 103 103 THR CA C 103 61.748 63.130 -1.382 1
1 1191 . 5 1 1 A 103 103 THR HA H 103 4.273 4.216 0.057 1
1 1192 . 5 1 1 A 103 103 THR CB C 103 69.833 69.158 0.675 1
1 1198 . 5 1 1 A 103 103 THR C C 103 174.258 173.523 0.735 1
1 1199 . 5 1 1 A 104 104 ALA N N 104 126.872 131.121 -4.249 1
1 1200 . 5 1 1 A 104 104 ALA H H 104 8.240 8.810 -0.570 1
1 1201 . 5 1 1 A 104 104 ALA CA C 104 52.369 51.507 0.862 1
1 1202 . 5 1 1 A 104 104 ALA HA H 104 4.316 4.887 -0.571 1
1 1203 . 5 1 1 A 104 104 ALA CB C 104 19.417 23.602 -4.185 1
1 1207 . 5 1 1 A 104 104 ALA C C 104 177.129 175.400 1.729 1
1 1208 . 5 1 1 A 105 105 ALA N N 105 124.353 121.426 2.927 1
1 1209 . 5 1 1 A 105 105 ALA H H 105 8.312 8.620 -0.308 1
1 1210 . 5 1 1 A 105 105 ALA CA C 105 52.408 50.943 1.465 1
1 1211 . 5 1 1 A 105 105 ALA HA H 105 4.327 5.037 -0.710 1
1 1212 . 5 1 1 A 105 105 ALA CB C 105 19.416 24.153 -4.737 1
1 1216 . 5 1 1 A 105 105 ALA C C 105 176.902 175.238 1.664 1
1 1 . 6 1 1 A 8 8 GLY CA C 8 45.171 45.891 -0.720 1
1 2 . 6 1 1 A 8 8 GLY HA2 H 8 3.976 4.283 -0.307 1
1 3 . 6 1 1 A 8 8 GLY HA3 H 8 3.976 4.283 -0.307 1
1 4 . 6 1 1 A 8 8 GLY C C 8 173.956 173.441 0.515 1
1 5 . 6 1 1 A 9 9 ARG N N 9 120.445 121.604 -1.159 1
1 6 . 6 1 1 A 9 9 ARG H H 9 8.126 8.871 -0.745 1
1 7 . 6 1 1 A 9 9 ARG CA C 9 55.873 56.648 -0.775 1
1 8 . 6 1 1 A 9 9 ARG HA H 9 4.318 4.514 -0.196 1
1 9 . 6 1 1 A 9 9 ARG CB C 9 30.899 32.508 -1.609 1
1 18 . 6 1 1 A 9 9 ARG C C 9 176.192 175.838 0.354 1
1 19 . 6 1 1 A 10 10 LEU N N 10 125.156 117.444 7.712 1
1 20 . 6 1 1 A 10 10 LEU H H 10 8.357 7.978 0.379 1
1 21 . 6 1 1 A 10 10 LEU CA C 10 53.058 55.684 -2.626 1
1 22 . 6 1 1 A 10 10 LEU HA H 10 4.589 3.857 0.732 1
1 23 . 6 1 1 A 10 10 LEU CB C 10 41.599 40.382 1.217 1
1 36 . 6 1 1 A 10 10 LEU C C 10 175.327 174.940 0.387 1
1 37 . 6 1 1 A 11 11 PRO CA C 11 63.064 62.590 0.474 1
1 38 . 6 1 1 A 11 11 PRO HA H 11 4.416 4.648 -0.232 1
1 39 . 6 1 1 A 11 11 PRO CB C 11 32.095 33.297 -1.202 1
1 48 . 6 1 1 A 13 13 LYS CA C 13 56.353 55.850 0.503 1
1 49 . 6 1 1 A 13 13 LYS HA H 13 4.383 4.772 -0.389 1
1 50 . 6 1 1 A 13 13 LYS CB C 13 33.019 36.260 -3.241 1
1 62 . 6 1 1 A 13 13 LYS C C 13 176.694 174.373 2.321 1
1 63 . 6 1 1 A 14 14 THR N N 14 115.691 115.764 -0.073 1
1 64 . 6 1 1 A 14 14 THR H H 14 8.140 8.721 -0.581 1
1 65 . 6 1 1 A 14 14 THR CA C 14 61.919 60.530 1.389 1
1 66 . 6 1 1 A 14 14 THR HA H 14 4.265 5.111 -0.846 1
1 67 . 6 1 1 A 14 14 THR CB C 14 69.860 71.282 -1.422 1
1 73 . 6 1 1 A 14 14 THR C C 14 174.261 173.549 0.712 1
1 74 . 6 1 1 A 15 15 LYS N N 15 124.645 123.347 1.298 1
1 75 . 6 1 1 A 15 15 LYS H H 15 8.323 8.830 -0.507 1
1 76 . 6 1 1 A 15 15 LYS CA C 15 56.226 54.724 1.502 1
1 77 . 6 1 1 A 15 15 LYS HA H 15 4.278 5.038 -0.760 1
1 78 . 6 1 1 A 15 15 LYS CB C 15 33.220 37.163 -3.943 1
1 90 . 6 1 1 A 15 15 LYS C C 15 175.921 174.945 0.976 1
1 91 . 6 1 1 A 16 16 LYS N N 16 123.830 118.916 4.914 1
1 92 . 6 1 1 A 16 16 LYS H H 16 8.332 8.758 -0.426 1
1 93 . 6 1 1 A 16 16 LYS CA C 16 55.966 54.666 1.300 1
1 94 . 6 1 1 A 16 16 LYS HA H 16 4.192 5.141 -0.949 1
1 95 . 6 1 1 A 16 16 LYS CB C 16 33.028 36.523 -3.495 1
1 107 . 6 1 1 A 16 16 LYS C C 16 175.334 174.347 0.987 1
1 108 . 6 1 1 A 17 17 GLU N N 17 121.077 118.342 2.735 1
1 109 . 6 1 1 A 17 17 GLU H H 17 7.931 8.603 -0.672 1
1 110 . 6 1 1 A 17 17 GLU CA C 17 55.463 54.609 0.854 1
1 111 . 6 1 1 A 17 17 GLU HA H 17 4.300 4.811 -0.511 1
1 112 . 6 1 1 A 17 17 GLU CB C 17 31.984 33.794 -1.810 1
1 118 . 6 1 1 A 17 17 GLU C C 17 174.646 173.644 1.002 1
1 119 . 6 1 1 A 18 18 PHE N N 18 121.605 118.173 3.432 1
1 120 . 6 1 1 A 18 18 PHE H H 18 8.560 8.515 0.045 1
1 121 . 6 1 1 A 18 18 PHE CA C 18 56.963 56.557 0.406 1
1 122 . 6 1 1 A 18 18 PHE HA H 18 4.675 5.428 -0.753 1
1 123 . 6 1 1 A 18 18 PHE CB C 18 39.653 43.202 -3.549 1
1 134 . 6 1 1 A 18 18 PHE C C 18 173.933 175.408 -1.475 1
1 135 . 6 1 1 A 19 19 ILE N N 19 123.977 119.661 4.316 1
1 136 . 6 1 1 A 19 19 ILE H H 19 8.425 8.856 -0.431 1
1 137 . 6 1 1 A 19 19 ILE CA C 19 59.740 59.921 -0.181 1
1 138 . 6 1 1 A 19 19 ILE HA H 19 4.654 5.131 -0.477 1
1 139 . 6 1 1 A 19 19 ILE CB C 19 41.000 41.958 -0.958 1
1 152 . 6 1 1 A 19 19 ILE C C 19 175.584 174.966 0.618 1
1 153 . 6 1 1 A 20 20 CYS N N 20 129.741 127.298 2.443 1
1 154 . 6 1 1 A 20 20 CYS H H 20 9.224 9.212 0.012 1
1 155 . 6 1 1 A 20 20 CYS CA C 20 59.974 59.743 0.231 1
1 156 . 6 1 1 A 20 20 CYS HA H 20 4.827 4.473 0.354 1
1 157 . 6 1 1 A 20 20 CYS CB C 20 30.335 29.096 1.239 1
1 160 . 6 1 1 A 20 20 CYS C C 20 178.043 175.414 2.629 1
1 161 . 6 1 1 A 21 21 LYS N N 21 132.598 122.633 9.965 1
1 162 . 6 1 1 A 21 21 LYS H H 21 9.473 8.331 1.142 1
1 163 . 6 1 1 A 21 21 LYS CA C 21 58.099 56.698 1.401 1
1 164 . 6 1 1 A 21 21 LYS HA H 21 4.104 4.468 -0.364 1
1 165 . 6 1 1 A 21 21 LYS CB C 21 31.695 33.859 -2.164 1
1 177 . 6 1 1 A 21 21 LYS C C 21 175.765 178.305 -2.540 1
1 178 . 6 1 1 A 22 22 PHE N N 22 121.000 118.001 2.999 1
1 179 . 6 1 1 A 22 22 PHE H H 22 9.158 7.873 1.285 1
1 180 . 6 1 1 A 22 22 PHE CA C 22 59.743 59.304 0.439 1
1 181 . 6 1 1 A 22 22 PHE HA H 22 4.394 4.098 0.296 1
1 182 . 6 1 1 A 22 22 PHE CB C 22 37.953 37.257 0.696 1
1 195 . 6 1 1 A 22 22 PHE C C 22 176.819 176.567 0.252 1
1 196 . 6 1 1 A 23 23 CYS N N 23 115.955 113.010 2.945 1
1 197 . 6 1 1 A 23 23 CYS H H 23 8.410 7.913 0.497 1
1 198 . 6 1 1 A 23 23 CYS CA C 23 58.486 59.144 -0.658 1
1 199 . 6 1 1 A 23 23 CYS HA H 23 5.262 4.760 0.502 1
1 200 . 6 1 1 A 23 23 CYS CB C 23 33.092 30.528 2.564 1
1 203 . 6 1 1 A 23 23 CYS C C 23 176.770 175.739 1.031 1
1 204 . 6 1 1 A 24 24 GLY N N 24 112.575 110.037 2.538 1
1 205 . 6 1 1 A 24 24 GLY H H 24 8.092 8.515 -0.423 1
1 206 . 6 1 1 A 24 24 GLY CA C 24 46.302 45.518 0.784 1
1 207 . 6 1 1 A 24 24 GLY HA2 H 24 4.238 3.985 0.253 1
1 208 . 6 1 1 A 24 24 GLY HA3 H 24 3.776 4.009 -0.233 1
1 209 . 6 1 1 A 24 24 GLY C C 24 173.621 173.274 0.347 1
1 210 . 6 1 1 A 25 25 ARG N N 25 122.678 124.798 -2.120 1
1 211 . 6 1 1 A 25 25 ARG H H 25 8.079 8.122 -0.043 1
1 212 . 6 1 1 A 25 25 ARG CA C 25 58.063 54.586 3.477 1
1 213 . 6 1 1 A 25 25 ARG HA H 25 4.096 4.763 -0.667 1
1 214 . 6 1 1 A 25 25 ARG CB C 25 31.628 33.639 -2.011 1
1 223 . 6 1 1 A 25 25 ARG C C 25 174.641 174.223 0.418 1
1 224 . 6 1 1 A 26 26 HIS N N 26 121.510 124.254 -2.744 1
1 225 . 6 1 1 A 26 26 HIS H H 26 8.454 8.584 -0.130 1
1 226 . 6 1 1 A 26 26 HIS CA C 26 55.553 55.989 -0.436 1
1 227 . 6 1 1 A 26 26 HIS HA H 26 5.166 4.844 0.322 1
1 228 . 6 1 1 A 26 26 HIS CB C 26 32.066 30.933 1.133 1
1 235 . 6 1 1 A 26 26 HIS C C 26 174.732 174.822 -0.090 1
1 236 . 6 1 1 A 27 27 PHE N N 27 119.065 120.121 -1.056 1
1 237 . 6 1 1 A 27 27 PHE H H 27 9.035 9.092 -0.057 1
1 238 . 6 1 1 A 27 27 PHE CA C 27 57.515 56.632 0.883 1
1 239 . 6 1 1 A 27 27 PHE HA H 27 4.724 4.822 -0.098 1
1 240 . 6 1 1 A 27 27 PHE CB C 27 43.276 42.742 0.534 1
1 253 . 6 1 1 A 27 27 PHE C C 27 175.205 175.865 -0.660 1
1 254 . 6 1 1 A 28 28 THR CA C 28 62.856 64.491 -1.635 1
1 255 . 6 1 1 A 28 28 THR HA H 28 4.691 4.299 0.392 1
1 256 . 6 1 1 A 28 28 THR CB C 28 69.897 69.851 0.046 1
1 262 . 6 1 1 A 28 28 THR C C 28 174.714 174.420 0.294 1
1 263 . 6 1 1 A 29 29 LYS N N 29 118.993 117.477 1.516 1
1 264 . 6 1 1 A 29 29 LYS H H 29 7.456 7.579 -0.123 1
1 265 . 6 1 1 A 29 29 LYS CA C 29 54.239 54.786 -0.547 1
1 266 . 6 1 1 A 29 29 LYS HA H 29 4.573 4.880 -0.307 1
1 267 . 6 1 1 A 29 29 LYS CB C 29 35.412 34.708 0.704 1
1 279 . 6 1 1 A 29 29 LYS C C 29 176.395 177.020 -0.625 1
1 280 . 6 1 1 A 30 30 SER CA C 30 60.921 61.992 -1.071 1
1 281 . 6 1 1 A 30 30 SER HA H 30 3.025 4.305 -1.280 1
1 282 . 6 1 1 A 30 30 SER CB C 30 61.703 62.582 -0.879 1
1 285 . 6 1 1 A 31 31 TYR CA C 31 60.807 62.480 -1.673 1
1 286 . 6 1 1 A 31 31 TYR HA H 31 4.101 4.010 0.091 1
1 287 . 6 1 1 A 31 31 TYR CB C 31 38.408 38.565 -0.157 1
1 298 . 6 1 1 A 31 31 TYR C C 31 176.455 177.249 -0.794 1
1 299 . 6 1 1 A 32 32 ASN N N 32 114.304 117.978 -3.674 1
1 300 . 6 1 1 A 32 32 ASN H H 32 6.481 8.268 -1.787 1
1 301 . 6 1 1 A 32 32 ASN CA C 32 55.198 56.728 -1.530 1
1 302 . 6 1 1 A 32 32 ASN HA H 32 4.283 4.525 -0.242 1
1 303 . 6 1 1 A 32 32 ASN CB C 32 37.912 39.861 -1.949 1
1 309 . 6 1 1 A 32 32 ASN C C 32 177.633 177.371 0.262 1
1 310 . 6 1 1 A 33 33 LEU N N 33 121.854 120.222 1.632 1
1 311 . 6 1 1 A 33 33 LEU H H 33 7.002 8.082 -1.080 1
1 312 . 6 1 1 A 33 33 LEU CA C 33 57.820 57.965 -0.145 1
1 313 . 6 1 1 A 33 33 LEU HA H 33 2.922 2.778 0.144 1
1 314 . 6 1 1 A 33 33 LEU CB C 33 40.350 41.721 -1.371 1
1 327 . 6 1 1 A 33 33 LEU C C 33 176.900 178.031 -1.131 1
1 328 . 6 1 1 A 34 34 LEU N N 34 120.140 116.221 3.919 1
1 329 . 6 1 1 A 34 34 LEU H H 34 7.795 7.695 0.100 1
1 330 . 6 1 1 A 34 34 LEU CA C 34 58.506 57.955 0.551 1
1 331 . 6 1 1 A 34 34 LEU HA H 34 3.933 3.976 -0.043 1
1 332 . 6 1 1 A 34 34 LEU CB C 34 41.523 41.501 0.022 1
1 345 . 6 1 1 A 34 34 LEU C C 34 179.914 179.141 0.773 1
1 346 . 6 1 1 A 35 35 ILE N N 35 116.693 119.732 -3.039 1
1 347 . 6 1 1 A 35 35 ILE H H 35 7.368 7.944 -0.576 1
1 348 . 6 1 1 A 35 35 ILE CA C 35 63.641 64.928 -1.287 1
1 349 . 6 1 1 A 35 35 ILE HA H 35 3.533 3.655 -0.122 1
1 350 . 6 1 1 A 35 35 ILE CB C 35 37.380 37.891 -0.511 1
1 363 . 6 1 1 A 35 35 ILE C C 35 178.700 177.859 0.841 1
1 364 . 6 1 1 A 36 36 HIS N N 36 119.039 120.713 -1.674 1
1 365 . 6 1 1 A 36 36 HIS H H 36 7.424 7.910 -0.486 1
1 366 . 6 1 1 A 36 36 HIS CA C 36 59.486 58.451 1.035 1
1 367 . 6 1 1 A 36 36 HIS HA H 36 4.282 4.273 0.009 1
1 368 . 6 1 1 A 36 36 HIS CB C 36 28.563 30.387 -1.824 1
1 375 . 6 1 1 A 36 36 HIS C C 36 178.907 177.131 1.776 1
1 376 . 6 1 1 A 37 37 GLU N N 37 122.627 119.072 3.555 1
1 377 . 6 1 1 A 37 37 GLU H H 37 9.459 8.388 1.071 1
1 378 . 6 1 1 A 37 37 GLU CA C 37 61.473 58.655 2.818 1
1 379 . 6 1 1 A 37 37 GLU HA H 37 3.922 4.300 -0.378 1
1 380 . 6 1 1 A 37 37 GLU CB C 37 30.028 29.266 0.762 1
1 386 . 6 1 1 A 37 37 GLU C C 37 178.840 178.765 0.075 1
1 387 . 6 1 1 A 38 38 ARG N N 38 116.143 118.773 -2.630 1
1 388 . 6 1 1 A 38 38 ARG H H 38 7.244 7.984 -0.740 1
1 389 . 6 1 1 A 38 38 ARG CA C 38 58.258 58.804 -0.546 1
1 390 . 6 1 1 A 38 38 ARG HA H 38 4.129 4.087 0.042 1
1 391 . 6 1 1 A 38 38 ARG CB C 38 30.054 29.885 0.169 1
1 400 . 6 1 1 A 38 38 ARG C C 38 177.863 178.163 -0.300 1
1 401 . 6 1 1 A 39 39 THR N N 39 109.313 111.721 -2.408 1
1 402 . 6 1 1 A 39 39 THR H H 39 7.639 8.025 -0.386 1
1 403 . 6 1 1 A 39 39 THR CA C 39 63.892 65.612 -1.720 1
1 404 . 6 1 1 A 39 39 THR HA H 39 4.075 4.148 -0.073 1
1 405 . 6 1 1 A 39 39 THR CB C 39 69.337 67.839 1.498 1
1 411 . 6 1 1 A 39 39 THR C C 39 175.843 176.731 -0.888 1
1 412 . 6 1 1 A 40 40 HIS N N 40 119.019 119.586 -0.567 1
1 413 . 6 1 1 A 40 40 HIS H H 40 7.046 7.782 -0.736 1
1 414 . 6 1 1 A 40 40 HIS CA C 40 55.942 58.817 -2.875 1
1 415 . 6 1 1 A 40 40 HIS HA H 40 4.410 3.952 0.458 1
1 416 . 6 1 1 A 40 40 HIS CB C 40 27.446 29.249 -1.803 1
1 423 . 6 1 1 A 40 40 HIS C C 40 175.528 177.462 -1.934 1
1 424 . 6 1 1 A 41 41 THR N N 41 111.847 113.702 -1.855 1
1 425 . 6 1 1 A 41 41 THR H H 41 7.579 7.663 -0.084 1
1 426 . 6 1 1 A 41 41 THR CA C 41 62.200 64.816 -2.616 1
1 427 . 6 1 1 A 41 41 THR HA H 41 4.152 3.914 0.238 1
1 428 . 6 1 1 A 41 41 THR CB C 41 69.440 69.071 0.369 1
1 434 . 6 1 1 A 41 41 THR C C 41 174.484 173.933 0.551 1
1 435 . 6 1 1 A 42 42 ASP N N 42 122.207 119.855 2.352 1
1 436 . 6 1 1 A 42 42 ASP H H 42 8.191 8.056 0.135 1
1 437 . 6 1 1 A 42 42 ASP CA C 42 54.373 53.246 1.127 1
1 438 . 6 1 1 A 42 42 ASP HA H 42 4.524 4.851 -0.327 1
1 439 . 6 1 1 A 42 42 ASP CB C 42 41.045 40.699 0.346 1
1 442 . 6 1 1 A 42 42 ASP C C 42 175.869 174.813 1.056 1
1 443 . 6 1 1 A 43 43 GLU N N 43 120.562 123.638 -3.076 1
1 444 . 6 1 1 A 43 43 GLU H H 43 8.064 9.199 -1.135 1
1 445 . 6 1 1 A 43 43 GLU CA C 43 57.378 54.921 2.457 1
1 446 . 6 1 1 A 43 43 GLU HA H 43 4.098 4.896 -0.798 1
1 447 . 6 1 1 A 43 43 GLU CB C 43 30.262 31.592 -1.330 1
1 453 . 6 1 1 A 43 43 GLU C C 43 176.313 175.441 0.872 1
1 454 . 6 1 1 A 44 44 ARG N N 44 120.015 126.525 -6.510 1
1 455 . 6 1 1 A 44 44 ARG H H 44 8.190 8.951 -0.761 1
1 456 . 6 1 1 A 44 44 ARG CA C 44 53.266 52.458 0.808 1
1 457 . 6 1 1 A 44 44 ARG HA H 44 4.533 4.956 -0.423 1
1 458 . 6 1 1 A 44 44 ARG CB C 44 30.702 30.881 -0.179 1
1 467 . 6 1 1 A 44 44 ARG C C 44 173.360 175.716 -2.356 1
1 468 . 6 1 1 A 45 45 PRO CA C 45 63.459 64.289 -0.830 1
1 469 . 6 1 1 A 45 45 PRO HA H 45 4.298 4.387 -0.089 1
1 470 . 6 1 1 A 45 45 PRO CB C 45 32.219 31.557 0.662 1
1 479 . 6 1 1 A 45 45 PRO C C 45 176.492 176.043 0.449 1
1 480 . 6 1 1 A 46 46 TYR N N 46 119.184 117.593 1.591 1
1 481 . 6 1 1 A 46 46 TYR H H 46 7.840 7.965 -0.125 1
1 482 . 6 1 1 A 46 46 TYR CA C 46 57.533 56.835 0.698 1
1 483 . 6 1 1 A 46 46 TYR HA H 46 4.757 4.727 0.030 1
1 484 . 6 1 1 A 46 46 TYR CB C 46 38.646 36.464 2.182 1
1 495 . 6 1 1 A 46 46 TYR C C 46 175.414 175.160 0.254 1
1 496 . 6 1 1 A 47 47 THR N N 47 117.631 115.966 1.665 1
1 497 . 6 1 1 A 47 47 THR H H 47 8.607 7.602 1.005 1
1 498 . 6 1 1 A 47 47 THR CA C 47 60.593 62.390 -1.797 1
1 499 . 6 1 1 A 47 47 THR HA H 47 5.130 4.647 0.483 1
1 500 . 6 1 1 A 47 47 THR CB C 47 71.076 69.833 1.243 1
1 506 . 6 1 1 A 47 47 THR C C 47 173.697 174.174 -0.477 1
1 507 . 6 1 1 A 48 48 CYS N N 48 127.009 126.640 0.369 1
1 508 . 6 1 1 A 48 48 CYS H H 48 9.072 8.902 0.170 1
1 509 . 6 1 1 A 48 48 CYS CA C 48 60.153 60.001 0.152 1
1 510 . 6 1 1 A 48 48 CYS HA H 48 4.422 4.436 -0.014 1
1 511 . 6 1 1 A 48 48 CYS CB C 48 29.832 28.448 1.384 1
1 514 . 6 1 1 A 48 48 CYS C C 48 176.023 176.355 -0.332 1
1 515 . 6 1 1 A 49 49 ASP N N 49 129.691 128.061 1.630 1
1 516 . 6 1 1 A 49 49 ASP H H 49 9.129 9.370 -0.241 1
1 517 . 6 1 1 A 49 49 ASP CA C 49 55.499 54.207 1.292 1
1 518 . 6 1 1 A 49 49 ASP HA H 49 4.353 5.002 -0.649 1
1 519 . 6 1 1 A 49 49 ASP CB C 49 39.656 40.907 -1.251 1
1 522 . 6 1 1 A 49 49 ASP C C 49 175.094 176.395 -1.301 1
1 523 . 6 1 1 A 50 50 ILE N N 50 121.649 118.581 3.068 1
1 524 . 6 1 1 A 50 50 ILE H H 50 8.661 7.807 0.854 1
1 525 . 6 1 1 A 50 50 ILE CA C 50 62.888 62.665 0.223 1
1 526 . 6 1 1 A 50 50 ILE HA H 50 3.837 4.185 -0.348 1
1 527 . 6 1 1 A 50 50 ILE CB C 50 38.652 39.642 -0.990 1
1 540 . 6 1 1 A 50 50 ILE C C 50 176.439 177.406 -0.967 1
1 541 . 6 1 1 A 51 51 CYS N N 51 116.341 115.777 0.564 1
1 542 . 6 1 1 A 51 51 CYS H H 51 7.973 8.161 -0.188 1
1 543 . 6 1 1 A 51 51 CYS CA C 51 58.192 59.699 -1.507 1
1 544 . 6 1 1 A 51 51 CYS HA H 51 4.922 4.572 0.350 1
1 545 . 6 1 1 A 51 51 CYS CB C 51 32.086 29.410 2.676 1
1 548 . 6 1 1 A 51 51 CYS C C 51 175.814 175.187 0.627 1
1 549 . 6 1 1 A 52 52 HIS N N 52 116.961 119.331 -2.370 1
1 550 . 6 1 1 A 52 52 HIS H H 52 7.714 8.302 -0.588 1
1 551 . 6 1 1 A 52 52 HIS CA C 52 58.187 56.724 1.463 1
1 552 . 6 1 1 A 52 52 HIS HA H 52 4.521 4.444 0.077 1
1 553 . 6 1 1 A 52 52 HIS CB C 52 27.079 28.217 -1.138 1
1 560 . 6 1 1 A 52 52 HIS C C 52 174.215 174.040 0.175 1
1 561 . 6 1 1 A 53 53 LYS N N 53 122.651 118.197 4.454 1
1 562 . 6 1 1 A 53 53 LYS H H 53 7.902 7.813 0.089 1
1 563 . 6 1 1 A 53 53 LYS CA C 53 58.205 54.331 3.874 1
1 564 . 6 1 1 A 53 53 LYS HA H 53 4.051 4.648 -0.597 1
1 565 . 6 1 1 A 53 53 LYS CB C 53 33.868 34.575 -0.707 1
1 577 . 6 1 1 A 53 53 LYS C C 53 173.816 175.469 -1.653 1
1 578 . 6 1 1 A 54 54 ALA N N 54 124.589 121.178 3.411 1
1 579 . 6 1 1 A 54 54 ALA H H 54 7.885 8.429 -0.544 1
1 580 . 6 1 1 A 54 54 ALA CA C 54 50.573 50.279 0.294 1
1 581 . 6 1 1 A 54 54 ALA HA H 54 5.098 5.399 -0.301 1
1 582 . 6 1 1 A 54 54 ALA CB C 54 22.290 21.863 0.427 1
1 586 . 6 1 1 A 54 54 ALA C C 54 176.763 175.765 0.998 1
1 587 . 6 1 1 A 55 55 PHE N N 55 117.946 119.363 -1.417 1
1 588 . 6 1 1 A 55 55 PHE H H 55 9.044 8.981 0.063 1
1 589 . 6 1 1 A 55 55 PHE CA C 55 57.320 56.649 0.671 1
1 590 . 6 1 1 A 55 55 PHE HA H 55 4.724 4.879 -0.155 1
1 591 . 6 1 1 A 55 55 PHE CB C 55 43.710 43.567 0.143 1
1 604 . 6 1 1 A 55 55 PHE C C 55 175.251 175.484 -0.233 1
1 605 . 6 1 1 A 56 56 ARG N N 56 119.843 122.415 -2.572 1
1 606 . 6 1 1 A 56 56 ARG H H 56 9.587 8.876 0.711 1
1 607 . 6 1 1 A 56 56 ARG CA C 56 58.117 57.248 0.869 1
1 608 . 6 1 1 A 56 56 ARG HA H 56 4.603 4.200 0.403 1
1 609 . 6 1 1 A 56 56 ARG CB C 56 31.741 31.336 0.405 1
1 618 . 6 1 1 A 56 56 ARG C C 56 176.201 175.480 0.721 1
1 619 . 6 1 1 A 57 57 ARG N N 57 113.134 117.540 -4.406 1
1 620 . 6 1 1 A 57 57 ARG H H 57 7.273 7.926 -0.653 1
1 621 . 6 1 1 A 57 57 ARG CA C 57 53.978 54.336 -0.358 1
1 622 . 6 1 1 A 57 57 ARG HA H 57 4.650 4.431 0.219 1
1 623 . 6 1 1 A 57 57 ARG CB C 57 34.701 32.594 2.107 1
1 632 . 6 1 1 A 57 57 ARG C C 57 176.296 176.535 -0.239 1
1 633 . 6 1 1 A 58 58 GLN N N 58 124.070 121.014 3.056 1
1 634 . 6 1 1 A 58 58 GLN H H 58 8.583 8.817 -0.234 1
1 635 . 6 1 1 A 58 58 GLN CA C 58 59.036 58.935 0.101 1
1 636 . 6 1 1 A 58 58 GLN HA H 58 3.004 4.102 -1.098 1
1 637 . 6 1 1 A 58 58 GLN CB C 58 28.229 28.474 -0.245 1
1 646 . 6 1 1 A 58 58 GLN C C 58 177.925 177.596 0.329 1
1 647 . 6 1 1 A 59 59 ASP CA C 59 56.406 57.556 -1.150 1
1 648 . 6 1 1 A 59 59 ASP HA H 59 4.046 4.135 -0.089 1
1 649 . 6 1 1 A 59 59 ASP CB C 59 38.248 39.981 -1.733 1
1 652 . 6 1 1 A 59 59 ASP C C 59 177.698 178.893 -1.195 1
1 653 . 6 1 1 A 60 60 HIS N N 60 119.173 118.670 0.503 1
1 654 . 6 1 1 A 60 60 HIS H H 60 6.954 7.501 -0.547 1
1 655 . 6 1 1 A 60 60 HIS CA C 60 56.843 59.897 -3.054 1
1 656 . 6 1 1 A 60 60 HIS HA H 60 4.432 4.353 0.079 1
1 657 . 6 1 1 A 60 60 HIS CB C 60 31.752 30.407 1.345 1
1 664 . 6 1 1 A 60 60 HIS C C 60 178.617 178.027 0.590 1
1 665 . 6 1 1 A 61 61 LEU N N 61 120.844 121.330 -0.486 1
1 666 . 6 1 1 A 61 61 LEU H H 61 6.979 8.103 -1.124 1
1 667 . 6 1 1 A 61 61 LEU CA C 61 57.728 57.627 0.101 1
1 668 . 6 1 1 A 61 61 LEU HA H 61 3.145 3.390 -0.245 1
1 669 . 6 1 1 A 61 61 LEU CB C 61 40.153 41.278 -1.125 1
1 682 . 6 1 1 A 61 61 LEU C C 61 176.855 178.251 -1.396 1
1 683 . 6 1 1 A 62 62 ARG N N 62 120.225 119.657 0.568 1
1 684 . 6 1 1 A 62 62 ARG H H 62 8.012 8.302 -0.290 1
1 685 . 6 1 1 A 62 62 ARG CA C 62 59.526 59.711 -0.185 1
1 686 . 6 1 1 A 62 62 ARG HA H 62 3.724 3.972 -0.248 1
1 687 . 6 1 1 A 62 62 ARG CB C 62 29.388 30.109 -0.721 1
1 696 . 6 1 1 A 62 62 ARG C C 62 178.582 178.431 0.151 1
1 697 . 6 1 1 A 63 63 ASP N N 63 117.219 119.453 -2.234 1
1 698 . 6 1 1 A 63 63 ASP H H 63 7.823 7.712 0.111 1
1 699 . 6 1 1 A 63 63 ASP CA C 63 56.694 57.011 -0.317 1
1 700 . 6 1 1 A 63 63 ASP HA H 63 4.401 4.381 0.020 1
1 701 . 6 1 1 A 63 63 ASP CB C 63 40.226 40.852 -0.626 1
1 704 . 6 1 1 A 63 63 ASP C C 63 178.560 178.446 0.114 1
1 705 . 6 1 1 A 64 64 HIS N N 64 119.185 119.614 -0.429 1
1 706 . 6 1 1 A 64 64 HIS H H 64 7.606 8.490 -0.884 1
1 707 . 6 1 1 A 64 64 HIS CA C 64 58.772 60.144 -1.372 1
1 708 . 6 1 1 A 64 64 HIS HA H 64 4.211 4.134 0.077 1
1 709 . 6 1 1 A 64 64 HIS CB C 64 28.533 29.701 -1.168 1
1 716 . 6 1 1 A 64 64 HIS C C 64 176.334 177.065 -0.731 1
1 717 . 6 1 1 A 65 65 ARG N N 65 116.490 117.642 -1.152 1
1 718 . 6 1 1 A 65 65 ARG H H 65 8.157 8.093 0.064 1
1 719 . 6 1 1 A 65 65 ARG CA C 65 59.666 58.487 1.179 1
1 720 . 6 1 1 A 65 65 ARG HA H 65 3.576 4.142 -0.566 1
1 721 . 6 1 1 A 65 65 ARG CB C 65 29.958 29.697 0.261 1
1 730 . 6 1 1 A 65 65 ARG C C 65 178.301 177.944 0.357 1
1 731 . 6 1 1 A 66 66 TYR N N 66 117.286 120.964 -3.678 1
1 732 . 6 1 1 A 66 66 TYR H H 66 7.169 8.389 -1.220 1
1 733 . 6 1 1 A 66 66 TYR CA C 66 60.186 61.151 -0.965 1
1 734 . 6 1 1 A 66 66 TYR HA H 66 4.339 4.117 0.222 1
1 735 . 6 1 1 A 66 66 TYR CB C 66 37.960 38.480 -0.520 1
1 746 . 6 1 1 A 66 66 TYR C C 66 178.191 177.531 0.660 1
1 747 . 6 1 1 A 67 67 ILE N N 67 117.609 117.551 0.058 1
1 748 . 6 1 1 A 67 67 ILE H H 67 7.883 8.080 -0.197 1
1 749 . 6 1 1 A 67 67 ILE CA C 67 63.440 64.066 -0.626 1
1 750 . 6 1 1 A 67 67 ILE HA H 67 3.836 3.662 0.174 1
1 751 . 6 1 1 A 67 67 ILE CB C 67 37.482 37.241 0.241 1
1 764 . 6 1 1 A 67 67 ILE C C 67 177.511 177.496 0.015 1
1 765 . 6 1 1 A 68 68 HIS N N 68 116.764 119.820 -3.056 1
1 766 . 6 1 1 A 68 68 HIS H H 68 7.140 7.439 -0.299 1
1 767 . 6 1 1 A 68 68 HIS CA C 68 55.340 58.505 -3.165 1
1 768 . 6 1 1 A 68 68 HIS HA H 68 4.768 4.320 0.448 1
1 769 . 6 1 1 A 68 68 HIS CB C 68 28.687 31.040 -2.353 1
1 776 . 6 1 1 A 68 68 HIS C C 68 175.627 176.094 -0.467 1
1 777 . 6 1 1 A 69 69 SER N N 69 114.870 112.630 2.240 1
1 778 . 6 1 1 A 69 69 SER H H 69 7.731 7.679 0.052 1
1 779 . 6 1 1 A 69 69 SER CA C 69 59.200 56.972 2.228 1
1 780 . 6 1 1 A 69 69 SER HA H 69 4.379 4.388 -0.009 1
1 781 . 6 1 1 A 69 69 SER CB C 69 63.765 64.090 -0.325 1
1 784 . 6 1 1 A 69 69 SER C C 69 174.692 174.029 0.663 1
1 785 . 6 1 1 A 70 70 LYS N N 70 121.978 127.632 -5.654 1
1 786 . 6 1 1 A 70 70 LYS H H 70 8.063 8.759 -0.696 1
1 787 . 6 1 1 A 70 70 LYS CA C 70 56.825 58.022 -1.197 1
1 788 . 6 1 1 A 70 70 LYS HA H 70 4.214 4.051 0.163 1
1 789 . 6 1 1 A 70 70 LYS CB C 70 32.539 33.168 -0.629 1
1 801 . 6 1 1 A 70 70 LYS C C 70 176.806 175.608 1.198 1
1 802 . 6 1 1 A 71 71 GLU N N 71 120.177 115.495 4.682 1
1 803 . 6 1 1 A 71 71 GLU H H 71 8.008 7.764 0.244 1
1 804 . 6 1 1 A 71 71 GLU CA C 71 56.472 54.944 1.528 1
1 805 . 6 1 1 A 71 71 GLU HA H 71 4.191 4.848 -0.657 1
1 806 . 6 1 1 A 71 71 GLU CB C 71 29.335 34.432 -5.097 1
1 811 . 6 1 1 A 71 71 GLU C C 71 176.040 173.966 2.074 1
1 812 . 6 1 1 A 72 72 LYS N N 72 121.800 123.311 -1.511 1
1 813 . 6 1 1 A 72 72 LYS H H 72 8.277 8.653 -0.376 1
1 814 . 6 1 1 A 72 72 LYS CA C 72 53.820 54.011 -0.191 1
1 815 . 6 1 1 A 72 72 LYS HA H 72 4.391 4.529 -0.138 1
1 816 . 6 1 1 A 72 72 LYS CB C 72 32.139 33.423 -1.284 1
1 828 . 6 1 1 A 72 72 LYS C C 72 174.768 176.102 -1.334 1
1 829 . 6 1 1 A 73 73 PRO CA C 73 63.978 64.214 -0.236 1
1 830 . 6 1 1 A 73 73 PRO HA H 73 4.144 4.324 -0.180 1
1 831 . 6 1 1 A 73 73 PRO CB C 73 31.953 31.272 0.681 1
1 840 . 6 1 1 A 73 73 PRO C C 73 176.402 176.042 0.360 1
1 841 . 6 1 1 A 74 74 PHE N N 74 117.425 117.473 -0.048 1
1 842 . 6 1 1 A 74 74 PHE H H 74 7.686 7.596 0.090 1
1 843 . 6 1 1 A 74 74 PHE CA C 74 57.020 56.249 0.771 1
1 844 . 6 1 1 A 74 74 PHE HA H 74 4.691 4.918 -0.227 1
1 845 . 6 1 1 A 74 74 PHE CB C 74 39.403 39.290 0.113 1
1 856 . 6 1 1 A 74 74 PHE C C 74 174.442 174.626 -0.184 1
1 857 . 6 1 1 A 75 75 LYS N N 75 123.931 120.053 3.878 1
1 858 . 6 1 1 A 75 75 LYS H H 75 8.590 8.678 -0.088 1
1 859 . 6 1 1 A 75 75 LYS CA C 75 54.951 54.782 0.169 1
1 860 . 6 1 1 A 75 75 LYS HA H 75 5.021 5.256 -0.235 1
1 861 . 6 1 1 A 75 75 LYS CB C 75 35.286 35.827 -0.541 1
1 873 . 6 1 1 A 75 75 LYS C C 75 175.465 175.379 0.086 1
1 874 . 6 1 1 A 76 76 CYS N N 76 126.279 121.762 4.517 1
1 875 . 6 1 1 A 76 76 CYS H H 76 9.149 9.188 -0.039 1
1 876 . 6 1 1 A 76 76 CYS CA C 76 59.553 59.575 -0.022 1
1 877 . 6 1 1 A 76 76 CYS HA H 76 4.462 4.708 -0.246 1
1 878 . 6 1 1 A 76 76 CYS CB C 76 29.772 28.872 0.900 1
1 881 . 6 1 1 A 76 76 CYS C C 76 177.367 174.991 2.376 1
1 882 . 6 1 1 A 77 77 GLN CA C 77 58.117 57.593 0.524 1
1 883 . 6 1 1 A 77 77 GLN HA H 77 4.130 4.262 -0.132 1
1 884 . 6 1 1 A 77 77 GLN CB C 77 28.479 28.967 -0.488 1
1 893 . 6 1 1 A 77 77 GLN C C 77 176.283 178.040 -1.757 1
1 894 . 6 1 1 A 78 78 GLU N N 78 120.320 118.864 1.456 1
1 895 . 6 1 1 A 78 78 GLU H H 78 8.682 7.824 0.858 1
1 896 . 6 1 1 A 78 78 GLU CA C 78 58.540 58.686 -0.146 1
1 897 . 6 1 1 A 78 78 GLU HA H 78 4.165 4.023 0.142 1
1 898 . 6 1 1 A 78 78 GLU CB C 78 29.469 28.724 0.745 1
1 904 . 6 1 1 A 78 78 GLU C C 78 177.275 178.322 -1.047 1
1 905 . 6 1 1 A 79 79 CYS N N 79 114.728 114.817 -0.089 1
1 906 . 6 1 1 A 79 79 CYS H H 79 8.018 7.612 0.406 1
1 907 . 6 1 1 A 79 79 CYS CA C 79 58.271 59.874 -1.603 1
1 908 . 6 1 1 A 79 79 CYS HA H 79 5.142 4.647 0.495 1
1 909 . 6 1 1 A 79 79 CYS CB C 79 32.339 29.634 2.705 1
1 912 . 6 1 1 A 79 79 CYS C C 79 176.280 175.721 0.559 1
1 913 . 6 1 1 A 80 80 GLY N N 80 113.675 110.571 3.104 1
1 914 . 6 1 1 A 80 80 GLY H H 80 8.133 8.317 -0.184 1
1 915 . 6 1 1 A 80 80 GLY CA C 80 46.206 46.764 -0.558 1
1 916 . 6 1 1 A 80 80 GLY HA2 H 80 4.213 4.027 0.186 1
1 917 . 6 1 1 A 80 80 GLY HA3 H 80 3.755 4.074 -0.319 1
1 918 . 6 1 1 A 80 80 GLY C C 80 173.619 174.728 -1.109 1
1 919 . 6 1 1 A 81 81 LYS N N 81 122.811 119.313 3.498 1
1 920 . 6 1 1 A 81 81 LYS H H 81 7.945 8.091 -0.146 1
1 921 . 6 1 1 A 81 81 LYS CA C 81 58.211 55.050 3.161 1
1 922 . 6 1 1 A 81 81 LYS HA H 81 3.947 4.475 -0.528 1
1 923 . 6 1 1 A 81 81 LYS CB C 81 33.921 33.789 0.132 1
1 935 . 6 1 1 A 81 81 LYS C C 81 174.639 176.935 -2.296 1
1 936 . 6 1 1 A 82 82 GLY N N 82 108.366 109.910 -1.544 1
1 937 . 6 1 1 A 82 82 GLY H H 82 7.936 8.339 -0.403 1
1 938 . 6 1 1 A 82 82 GLY CA C 82 44.048 46.135 -2.087 1
1 939 . 6 1 1 A 82 82 GLY HA2 H 82 4.847 3.884 0.963 1
1 940 . 6 1 1 A 82 82 GLY HA3 H 82 3.291 3.935 -0.644 1
1 941 . 6 1 1 A 82 82 GLY C C 82 172.166 173.852 -1.686 1
1 942 . 6 1 1 A 83 83 PHE N N 83 117.822 120.476 -2.654 1
1 943 . 6 1 1 A 83 83 PHE H H 83 8.697 7.355 1.342 1
1 944 . 6 1 1 A 83 83 PHE CA C 83 57.338 58.911 -1.573 1
1 945 . 6 1 1 A 83 83 PHE HA H 83 4.755 4.479 0.276 1
1 946 . 6 1 1 A 83 83 PHE CB C 83 43.462 39.276 4.186 1
1 959 . 6 1 1 A 83 83 PHE C C 83 175.424 175.599 -0.175 1
1 960 . 6 1 1 A 84 84 CYS CA C 84 60.706 61.530 -0.824 1
1 961 . 6 1 1 A 84 84 CYS HA H 84 4.608 4.652 -0.044 1
1 962 . 6 1 1 A 84 84 CYS CB C 84 28.990 29.299 -0.309 1
1 965 . 6 1 1 A 84 84 CYS C C 84 174.163 175.196 -1.033 1
1 966 . 6 1 1 A 85 85 GLN N N 85 114.620 119.516 -4.896 1
1 967 . 6 1 1 A 85 85 GLN H H 85 7.326 7.924 -0.598 1
1 968 . 6 1 1 A 85 85 GLN CA C 85 54.098 54.867 -0.769 1
1 969 . 6 1 1 A 85 85 GLN HA H 85 4.648 4.511 0.137 1
1 970 . 6 1 1 A 85 85 GLN CB C 85 32.066 29.715 2.351 1
1 979 . 6 1 1 A 85 85 GLN C C 85 175.230 176.339 -1.109 1
1 980 . 6 1 1 A 86 86 SER CA C 86 61.164 60.000 1.164 1
1 981 . 6 1 1 A 86 86 SER HA H 86 3.078 4.195 -1.117 1
1 982 . 6 1 1 A 86 86 SER CB C 86 61.738 63.283 -1.545 1
1 985 . 6 1 1 A 87 87 ARG CA C 87 58.886 59.447 -0.561 1
1 986 . 6 1 1 A 87 87 ARG HA H 87 4.049 4.066 -0.017 1
1 987 . 6 1 1 A 87 87 ARG CB C 87 29.519 30.508 -0.989 1
1 996 . 6 1 1 A 87 87 ARG C C 87 177.520 178.258 -0.738 1
1 997 . 6 1 1 A 88 88 THR N N 88 112.500 118.255 -5.755 1
1 998 . 6 1 1 A 88 88 THR H H 88 6.796 8.087 -1.291 1
1 999 . 6 1 1 A 88 88 THR CA C 88 64.598 66.986 -2.388 1
1 1000 . 6 1 1 A 88 88 THR HA H 88 3.844 3.964 -0.120 1
1 1001 . 6 1 1 A 88 88 THR CB C 88 67.809 67.637 0.172 1
1 1007 . 6 1 1 A 88 88 THR C C 88 177.343 175.917 1.426 1
1 1008 . 6 1 1 A 89 89 LEU N N 89 123.163 120.563 2.600 1
1 1009 . 6 1 1 A 89 89 LEU H H 89 6.898 7.903 -1.005 1
1 1010 . 6 1 1 A 89 89 LEU CA C 89 57.692 57.434 0.258 1
1 1011 . 6 1 1 A 89 89 LEU HA H 89 3.147 2.948 0.199 1
1 1012 . 6 1 1 A 89 89 LEU CB C 89 40.133 41.235 -1.102 1
1 1025 . 6 1 1 A 89 89 LEU C C 89 176.886 178.520 -1.634 1
1 1026 . 6 1 1 A 90 90 ALA N N 90 120.747 121.107 -0.360 1
1 1027 . 6 1 1 A 90 90 ALA H H 90 7.837 7.880 -0.043 1
1 1028 . 6 1 1 A 90 90 ALA CA C 90 55.646 55.198 0.448 1
1 1029 . 6 1 1 A 90 90 ALA HA H 90 3.914 3.996 -0.082 1
1 1030 . 6 1 1 A 90 90 ALA CB C 90 17.722 18.757 -1.035 1
1 1034 . 6 1 1 A 90 90 ALA C C 90 180.692 179.529 1.163 1
1 1035 . 6 1 1 A 91 91 VAL N N 91 117.181 117.918 -0.737 1
1 1036 . 6 1 1 A 91 91 VAL H H 91 7.475 7.694 -0.219 1
1 1037 . 6 1 1 A 91 91 VAL CA C 91 65.880 65.771 0.109 1
1 1038 . 6 1 1 A 91 91 VAL HA H 91 3.662 3.682 -0.020 1
1 1039 . 6 1 1 A 91 91 VAL CB C 91 32.018 31.632 0.386 1
1 1049 . 6 1 1 A 91 91 VAL C C 91 178.708 178.579 0.129 1
1 1050 . 6 1 1 A 92 92 HIS N N 92 121.501 119.803 1.698 1
1 1051 . 6 1 1 A 92 92 HIS H H 92 7.625 7.622 0.003 1
1 1052 . 6 1 1 A 92 92 HIS CA C 92 59.553 59.349 0.204 1
1 1053 . 6 1 1 A 92 92 HIS HA H 92 4.095 4.211 -0.116 1
1 1054 . 6 1 1 A 92 92 HIS CB C 92 28.040 29.805 -1.765 1
1 1061 . 6 1 1 A 92 92 HIS C C 92 176.518 177.280 -0.762 1
1 1062 . 6 1 1 A 93 93 LYS N N 93 116.162 117.205 -1.043 1
1 1063 . 6 1 1 A 93 93 LYS H H 93 8.372 7.853 0.519 1
1 1064 . 6 1 1 A 93 93 LYS CA C 93 60.253 59.168 1.085 1
1 1065 . 6 1 1 A 93 93 LYS HA H 93 3.732 3.835 -0.103 1
1 1066 . 6 1 1 A 93 93 LYS CB C 93 32.158 32.221 -0.063 1
1 1078 . 6 1 1 A 93 93 LYS C C 93 179.211 178.810 0.401 1
1 1079 . 6 1 1 A 94 94 THR N N 94 111.607 114.010 -2.403 1
1 1080 . 6 1 1 A 94 94 THR H H 94 7.434 7.556 -0.122 1
1 1081 . 6 1 1 A 94 94 THR CA C 94 65.106 65.532 -0.426 1
1 1082 . 6 1 1 A 94 94 THR HA H 94 4.034 4.081 -0.047 1
1 1083 . 6 1 1 A 94 94 THR CB C 94 69.075 68.468 0.607 1
1 1089 . 6 1 1 A 94 94 THR C C 94 176.406 176.721 -0.315 1
1 1090 . 6 1 1 A 95 95 LEU N N 95 121.689 123.565 -1.876 1
1 1091 . 6 1 1 A 95 95 LEU H H 95 7.725 8.259 -0.534 1
1 1092 . 6 1 1 A 95 95 LEU CA C 95 56.680 58.240 -1.560 1
1 1093 . 6 1 1 A 95 95 LEU HA H 95 4.020 3.840 0.180 1
1 1094 . 6 1 1 A 95 95 LEU CB C 95 41.186 41.494 -0.308 1
1 1107 . 6 1 1 A 95 95 LEU C C 95 178.956 178.879 0.077 1
1 1108 . 6 1 1 A 96 96 HIS N N 96 114.750 116.515 -1.765 1
1 1109 . 6 1 1 A 96 96 HIS H H 96 7.160 7.555 -0.395 1
1 1110 . 6 1 1 A 96 96 HIS CA C 96 55.206 58.504 -3.298 1
1 1111 . 6 1 1 A 96 96 HIS HA H 96 4.730 4.441 0.289 1
1 1112 . 6 1 1 A 96 96 HIS CB C 96 28.687 29.801 -1.114 1
1 1119 . 6 1 1 A 96 96 HIS C C 96 175.230 175.822 -0.592 1
1 1120 . 6 1 1 A 97 97 MET N N 97 118.984 115.204 3.780 1
1 1121 . 6 1 1 A 97 97 MET H H 97 7.626 7.695 -0.069 1
1 1122 . 6 1 1 A 97 97 MET CA C 97 55.995 54.087 1.908 1
1 1123 . 6 1 1 A 97 97 MET HA H 97 4.424 4.680 -0.256 1
1 1124 . 6 1 1 A 97 97 MET CB C 97 33.065 34.088 -1.023 1
1 1134 . 6 1 1 A 97 97 MET C C 97 176.174 175.325 0.849 1
1 1135 . 6 1 1 A 98 98 GLN N N 98 120.828 120.296 0.532 1
1 1136 . 6 1 1 A 98 98 GLN H H 98 8.271 8.774 -0.503 1
1 1137 . 6 1 1 A 98 98 GLN CA C 98 55.951 54.662 1.289 1
1 1138 . 6 1 1 A 98 98 GLN HA H 98 4.382 4.966 -0.584 1
1 1139 . 6 1 1 A 98 98 GLN CB C 98 29.364 33.222 -3.858 1
1 1148 . 6 1 1 A 98 98 GLN C C 98 176.242 174.532 1.710 1
1 1149 . 6 1 1 A 99 99 THR N N 99 114.965 116.362 -1.397 1
1 1150 . 6 1 1 A 99 99 THR H H 99 8.200 8.272 -0.072 1
1 1151 . 6 1 1 A 99 99 THR CA C 99 61.773 61.895 -0.122 1
1 1152 . 6 1 1 A 99 99 THR HA H 99 4.374 5.059 -0.685 1
1 1153 . 6 1 1 A 99 99 THR CB C 99 69.654 70.215 -0.561 1
1 1159 . 6 1 1 A 99 99 THR C C 99 174.491 173.607 0.884 1
1 1160 . 6 1 1 A 100 100 SER N N 100 118.047 123.366 -5.319 1
1 1161 . 6 1 1 A 100 100 SER H H 100 8.311 9.126 -0.815 1
1 1162 . 6 1 1 A 100 100 SER CA C 100 58.240 56.654 1.586 1
1 1163 . 6 1 1 A 100 100 SER HA H 100 4.493 5.354 -0.861 1
1 1164 . 6 1 1 A 100 100 SER CB C 100 63.843 65.106 -1.263 1
1 1167 . 6 1 1 A 100 100 SER C C 100 174.152 173.730 0.422 1
1 1168 . 6 1 1 A 101 101 SER N N 101 118.812 120.850 -2.038 1
1 1169 . 6 1 1 A 101 101 SER H H 101 8.358 8.839 -0.481 1
1 1170 . 6 1 1 A 101 101 SER CA C 101 56.348 55.734 0.614 1
1 1171 . 6 1 1 A 101 101 SER HA H 101 4.773 4.917 -0.144 1
1 1172 . 6 1 1 A 101 101 SER CB C 101 63.554 64.760 -1.206 1
1 1175 . 6 1 1 A 101 101 SER C C 101 172.898 171.809 1.089 1
1 1176 . 6 1 1 A 102 102 PRO CA C 102 63.453 62.694 0.759 1
1 1177 . 6 1 1 A 102 102 PRO HA H 102 4.485 4.660 -0.175 1
1 1178 . 6 1 1 A 102 102 PRO CB C 102 32.126 32.564 -0.438 1
1 1187 . 6 1 1 A 102 102 PRO C C 102 177.181 176.532 0.649 1
1 1188 . 6 1 1 A 103 103 THR N N 103 114.257 112.870 1.387 1
1 1189 . 6 1 1 A 103 103 THR H H 103 8.188 8.797 -0.609 1
1 1190 . 6 1 1 A 103 103 THR CA C 103 61.748 63.043 -1.295 1
1 1191 . 6 1 1 A 103 103 THR HA H 103 4.273 4.372 -0.099 1
1 1192 . 6 1 1 A 103 103 THR CB C 103 69.833 69.618 0.215 1
1 1198 . 6 1 1 A 103 103 THR C C 103 174.258 174.647 -0.389 1
1 1199 . 6 1 1 A 104 104 ALA N N 104 126.872 118.542 8.330 1
1 1200 . 6 1 1 A 104 104 ALA H H 104 8.240 7.443 0.797 1
1 1201 . 6 1 1 A 104 104 ALA CA C 104 52.369 51.668 0.701 1
1 1202 . 6 1 1 A 104 104 ALA HA H 104 4.316 4.621 -0.305 1
1 1203 . 6 1 1 A 104 104 ALA CB C 104 19.417 22.328 -2.911 1
1 1207 . 6 1 1 A 104 104 ALA C C 104 177.129 174.911 2.218 1
1 1208 . 6 1 1 A 105 105 ALA N N 105 124.353 122.206 2.147 1
1 1209 . 6 1 1 A 105 105 ALA H H 105 8.312 8.657 -0.345 1
1 1210 . 6 1 1 A 105 105 ALA CA C 105 52.408 51.217 1.191 1
1 1211 . 6 1 1 A 105 105 ALA HA H 105 4.327 5.162 -0.835 1
1 1212 . 6 1 1 A 105 105 ALA CB C 105 19.416 21.682 -2.266 1
1 1216 . 6 1 1 A 105 105 ALA C C 105 176.902 175.923 0.979 1
1 1 . 7 1 1 A 8 8 GLY CA C 8 45.171 45.496 -0.325 1
1 2 . 7 1 1 A 8 8 GLY HA2 H 8 3.976 4.121 -0.145 1
1 3 . 7 1 1 A 8 8 GLY HA3 H 8 3.976 4.121 -0.145 1
1 4 . 7 1 1 A 8 8 GLY C C 8 173.956 171.875 2.081 1
1 5 . 7 1 1 A 9 9 ARG N N 9 120.445 121.850 -1.405 1
1 6 . 7 1 1 A 9 9 ARG H H 9 8.126 8.675 -0.549 1
1 7 . 7 1 1 A 9 9 ARG CA C 9 55.873 54.761 1.112 1
1 8 . 7 1 1 A 9 9 ARG HA H 9 4.318 5.124 -0.806 1
1 9 . 7 1 1 A 9 9 ARG CB C 9 30.899 34.285 -3.386 1
1 18 . 7 1 1 A 9 9 ARG C C 9 176.192 174.369 1.823 1
1 19 . 7 1 1 A 10 10 LEU N N 10 125.156 118.114 7.042 1
1 20 . 7 1 1 A 10 10 LEU H H 10 8.357 8.721 -0.364 1
1 21 . 7 1 1 A 10 10 LEU CA C 10 53.058 51.364 1.694 1
1 22 . 7 1 1 A 10 10 LEU HA H 10 4.589 4.894 -0.305 1
1 23 . 7 1 1 A 10 10 LEU CB C 10 41.599 45.231 -3.632 1
1 36 . 7 1 1 A 10 10 LEU C C 10 175.327 176.414 -1.087 1
1 37 . 7 1 1 A 11 11 PRO CA C 11 63.064 65.235 -2.171 1
1 38 . 7 1 1 A 11 11 PRO HA H 11 4.416 4.308 0.108 1
1 39 . 7 1 1 A 11 11 PRO CB C 11 32.095 31.885 0.210 1
1 48 . 7 1 1 A 13 13 LYS CA C 13 56.353 56.619 -0.266 1
1 49 . 7 1 1 A 13 13 LYS HA H 13 4.383 4.269 0.114 1
1 50 . 7 1 1 A 13 13 LYS CB C 13 33.019 33.615 -0.596 1
1 62 . 7 1 1 A 13 13 LYS C C 13 176.694 175.415 1.279 1
1 63 . 7 1 1 A 14 14 THR N N 14 115.691 119.190 -3.499 1
1 64 . 7 1 1 A 14 14 THR H H 14 8.140 8.534 -0.394 1
1 65 . 7 1 1 A 14 14 THR CA C 14 61.919 61.249 0.670 1
1 66 . 7 1 1 A 14 14 THR HA H 14 4.265 4.829 -0.564 1
1 67 . 7 1 1 A 14 14 THR CB C 14 69.860 71.314 -1.454 1
1 73 . 7 1 1 A 14 14 THR C C 14 174.261 173.949 0.312 1
1 74 . 7 1 1 A 15 15 LYS N N 15 124.645 128.485 -3.840 1
1 75 . 7 1 1 A 15 15 LYS H H 15 8.323 8.754 -0.431 1
1 76 . 7 1 1 A 15 15 LYS CA C 15 56.226 57.442 -1.216 1
1 77 . 7 1 1 A 15 15 LYS HA H 15 4.278 4.426 -0.148 1
1 78 . 7 1 1 A 15 15 LYS CB C 15 33.220 35.010 -1.790 1
1 90 . 7 1 1 A 15 15 LYS C C 15 175.921 176.409 -0.488 1
1 91 . 7 1 1 A 16 16 LYS N N 16 123.830 118.047 5.783 1
1 92 . 7 1 1 A 16 16 LYS H H 16 8.332 7.841 0.491 1
1 93 . 7 1 1 A 16 16 LYS CA C 16 55.966 57.272 -1.306 1
1 94 . 7 1 1 A 16 16 LYS HA H 16 4.192 3.701 0.491 1
1 95 . 7 1 1 A 16 16 LYS CB C 16 33.028 29.348 3.680 1
1 107 . 7 1 1 A 16 16 LYS C C 16 175.334 174.849 0.485 1
1 108 . 7 1 1 A 17 17 GLU N N 17 121.077 117.284 3.793 1
1 109 . 7 1 1 A 17 17 GLU H H 17 7.931 7.738 0.193 1
1 110 . 7 1 1 A 17 17 GLU CA C 17 55.463 55.184 0.279 1
1 111 . 7 1 1 A 17 17 GLU HA H 17 4.300 4.112 0.188 1
1 112 . 7 1 1 A 17 17 GLU CB C 17 31.984 30.438 1.546 1
1 118 . 7 1 1 A 17 17 GLU C C 17 174.646 175.269 -0.623 1
1 119 . 7 1 1 A 18 18 PHE N N 18 121.605 117.116 4.489 1
1 120 . 7 1 1 A 18 18 PHE H H 18 8.560 8.872 -0.312 1
1 121 . 7 1 1 A 18 18 PHE CA C 18 56.963 56.847 0.116 1
1 122 . 7 1 1 A 18 18 PHE HA H 18 4.675 5.079 -0.404 1
1 123 . 7 1 1 A 18 18 PHE CB C 18 39.653 43.741 -4.088 1
1 134 . 7 1 1 A 18 18 PHE C C 18 173.933 175.100 -1.167 1
1 135 . 7 1 1 A 19 19 ILE N N 19 123.977 120.029 3.948 1
1 136 . 7 1 1 A 19 19 ILE H H 19 8.425 9.100 -0.675 1
1 137 . 7 1 1 A 19 19 ILE CA C 19 59.740 59.433 0.307 1
1 138 . 7 1 1 A 19 19 ILE HA H 19 4.654 4.784 -0.130 1
1 139 . 7 1 1 A 19 19 ILE CB C 19 41.000 41.227 -0.227 1
1 152 . 7 1 1 A 19 19 ILE C C 19 175.584 175.144 0.440 1
1 153 . 7 1 1 A 20 20 CYS N N 20 129.741 127.487 2.254 1
1 154 . 7 1 1 A 20 20 CYS H H 20 9.224 8.756 0.468 1
1 155 . 7 1 1 A 20 20 CYS CA C 20 59.974 59.388 0.586 1
1 156 . 7 1 1 A 20 20 CYS HA H 20 4.827 4.477 0.350 1
1 157 . 7 1 1 A 20 20 CYS CB C 20 30.335 29.184 1.151 1
1 160 . 7 1 1 A 20 20 CYS C C 20 178.043 175.498 2.545 1
1 161 . 7 1 1 A 21 21 LYS N N 21 132.598 122.765 9.833 1
1 162 . 7 1 1 A 21 21 LYS H H 21 9.473 8.414 1.059 1
1 163 . 7 1 1 A 21 21 LYS CA C 21 58.099 56.809 1.290 1
1 164 . 7 1 1 A 21 21 LYS HA H 21 4.104 4.477 -0.373 1
1 165 . 7 1 1 A 21 21 LYS CB C 21 31.695 33.893 -2.198 1
1 177 . 7 1 1 A 21 21 LYS C C 21 175.765 178.478 -2.713 1
1 178 . 7 1 1 A 22 22 PHE N N 22 121.000 118.409 2.591 1
1 179 . 7 1 1 A 22 22 PHE H H 22 9.158 8.163 0.995 1
1 180 . 7 1 1 A 22 22 PHE CA C 22 59.743 59.458 0.285 1
1 181 . 7 1 1 A 22 22 PHE HA H 22 4.394 4.205 0.189 1
1 182 . 7 1 1 A 22 22 PHE CB C 22 37.953 37.210 0.743 1
1 195 . 7 1 1 A 22 22 PHE C C 22 176.819 177.365 -0.546 1
1 196 . 7 1 1 A 23 23 CYS N N 23 115.955 113.646 2.309 1
1 197 . 7 1 1 A 23 23 CYS H H 23 8.410 7.952 0.458 1
1 198 . 7 1 1 A 23 23 CYS CA C 23 58.486 59.657 -1.171 1
1 199 . 7 1 1 A 23 23 CYS HA H 23 5.262 4.718 0.544 1
1 200 . 7 1 1 A 23 23 CYS CB C 23 33.092 30.157 2.935 1
1 203 . 7 1 1 A 23 23 CYS C C 23 176.770 176.109 0.661 1
1 204 . 7 1 1 A 24 24 GLY N N 24 112.575 110.663 1.912 1
1 205 . 7 1 1 A 24 24 GLY H H 24 8.092 8.263 -0.171 1
1 206 . 7 1 1 A 24 24 GLY CA C 24 46.302 45.885 0.417 1
1 207 . 7 1 1 A 24 24 GLY HA2 H 24 4.238 3.920 0.318 1
1 208 . 7 1 1 A 24 24 GLY HA3 H 24 3.776 3.925 -0.149 1
1 209 . 7 1 1 A 24 24 GLY C C 24 173.621 174.989 -1.368 1
1 210 . 7 1 1 A 25 25 ARG N N 25 122.678 120.269 2.409 1
1 211 . 7 1 1 A 25 25 ARG H H 25 8.079 7.519 0.560 1
1 212 . 7 1 1 A 25 25 ARG CA C 25 58.063 56.381 1.682 1
1 213 . 7 1 1 A 25 25 ARG HA H 25 4.096 4.442 -0.346 1
1 214 . 7 1 1 A 25 25 ARG CB C 25 31.628 32.008 -0.380 1
1 223 . 7 1 1 A 25 25 ARG C C 25 174.641 175.043 -0.402 1
1 224 . 7 1 1 A 26 26 HIS N N 26 121.510 117.257 4.253 1
1 225 . 7 1 1 A 26 26 HIS H H 26 8.454 8.877 -0.423 1
1 226 . 7 1 1 A 26 26 HIS CA C 26 55.553 53.959 1.594 1
1 227 . 7 1 1 A 26 26 HIS HA H 26 5.166 5.481 -0.315 1
1 228 . 7 1 1 A 26 26 HIS CB C 26 32.066 32.608 -0.542 1
1 235 . 7 1 1 A 26 26 HIS C C 26 174.732 173.998 0.734 1
1 236 . 7 1 1 A 27 27 PHE N N 27 119.065 120.257 -1.192 1
1 237 . 7 1 1 A 27 27 PHE H H 27 9.035 9.079 -0.044 1
1 238 . 7 1 1 A 27 27 PHE CA C 27 57.515 56.505 1.010 1
1 239 . 7 1 1 A 27 27 PHE HA H 27 4.724 4.814 -0.090 1
1 240 . 7 1 1 A 27 27 PHE CB C 27 43.276 42.936 0.340 1
1 253 . 7 1 1 A 27 27 PHE C C 27 175.205 175.602 -0.397 1
1 254 . 7 1 1 A 28 28 THR CA C 28 62.856 63.512 -0.656 1
1 255 . 7 1 1 A 28 28 THR HA H 28 4.691 4.340 0.351 1
1 256 . 7 1 1 A 28 28 THR CB C 28 69.897 69.679 0.218 1
1 262 . 7 1 1 A 28 28 THR C C 28 174.714 173.741 0.973 1
1 263 . 7 1 1 A 29 29 LYS N N 29 118.993 121.804 -2.811 1
1 264 . 7 1 1 A 29 29 LYS H H 29 7.456 7.839 -0.383 1
1 265 . 7 1 1 A 29 29 LYS CA C 29 54.239 55.302 -1.063 1
1 266 . 7 1 1 A 29 29 LYS HA H 29 4.573 4.775 -0.202 1
1 267 . 7 1 1 A 29 29 LYS CB C 29 35.412 35.623 -0.211 1
1 279 . 7 1 1 A 29 29 LYS C C 29 176.395 176.508 -0.113 1
1 280 . 7 1 1 A 30 30 SER CA C 30 60.921 61.675 -0.754 1
1 281 . 7 1 1 A 30 30 SER HA H 30 3.025 4.434 -1.409 1
1 282 . 7 1 1 A 30 30 SER CB C 30 61.703 63.374 -1.671 1
1 285 . 7 1 1 A 31 31 TYR CA C 31 60.807 62.129 -1.322 1
1 286 . 7 1 1 A 31 31 TYR HA H 31 4.101 4.088 0.013 1
1 287 . 7 1 1 A 31 31 TYR CB C 31 38.408 38.900 -0.492 1
1 298 . 7 1 1 A 31 31 TYR C C 31 176.455 178.036 -1.581 1
1 299 . 7 1 1 A 32 32 ASN N N 32 114.304 117.607 -3.303 1
1 300 . 7 1 1 A 32 32 ASN H H 32 6.481 8.487 -2.006 1
1 301 . 7 1 1 A 32 32 ASN CA C 32 55.198 56.431 -1.233 1
1 302 . 7 1 1 A 32 32 ASN HA H 32 4.283 4.665 -0.382 1
1 303 . 7 1 1 A 32 32 ASN CB C 32 37.912 39.950 -2.038 1
1 309 . 7 1 1 A 32 32 ASN C C 32 177.633 177.625 0.008 1
1 310 . 7 1 1 A 33 33 LEU N N 33 121.854 120.444 1.410 1
1 311 . 7 1 1 A 33 33 LEU H H 33 7.002 7.974 -0.972 1
1 312 . 7 1 1 A 33 33 LEU CA C 33 57.820 57.386 0.434 1
1 313 . 7 1 1 A 33 33 LEU HA H 33 2.922 2.916 0.006 1
1 314 . 7 1 1 A 33 33 LEU CB C 33 40.350 41.380 -1.030 1
1 327 . 7 1 1 A 33 33 LEU C C 33 176.900 178.202 -1.302 1
1 328 . 7 1 1 A 34 34 LEU N N 34 120.140 117.018 3.122 1
1 329 . 7 1 1 A 34 34 LEU H H 34 7.795 7.629 0.166 1
1 330 . 7 1 1 A 34 34 LEU CA C 34 58.506 57.960 0.546 1
1 331 . 7 1 1 A 34 34 LEU HA H 34 3.933 3.915 0.018 1
1 332 . 7 1 1 A 34 34 LEU CB C 34 41.523 41.462 0.061 1
1 345 . 7 1 1 A 34 34 LEU C C 34 179.914 178.941 0.973 1
1 346 . 7 1 1 A 35 35 ILE N N 35 116.693 119.962 -3.269 1
1 347 . 7 1 1 A 35 35 ILE H H 35 7.368 7.909 -0.541 1
1 348 . 7 1 1 A 35 35 ILE CA C 35 63.641 65.368 -1.727 1
1 349 . 7 1 1 A 35 35 ILE HA H 35 3.533 3.584 -0.051 1
1 350 . 7 1 1 A 35 35 ILE CB C 35 37.380 37.902 -0.522 1
1 363 . 7 1 1 A 35 35 ILE C C 35 178.700 178.498 0.202 1
1 364 . 7 1 1 A 36 36 HIS N N 36 119.039 119.737 -0.698 1
1 365 . 7 1 1 A 36 36 HIS H H 36 7.424 7.931 -0.507 1
1 366 . 7 1 1 A 36 36 HIS CA C 36 59.486 60.215 -0.729 1
1 367 . 7 1 1 A 36 36 HIS HA H 36 4.282 4.303 -0.021 1
1 368 . 7 1 1 A 36 36 HIS CB C 36 28.563 30.313 -1.750 1
1 375 . 7 1 1 A 36 36 HIS C C 36 178.907 177.355 1.552 1
1 376 . 7 1 1 A 37 37 GLU N N 37 122.627 117.530 5.097 1
1 377 . 7 1 1 A 37 37 GLU H H 37 9.459 8.540 0.919 1
1 378 . 7 1 1 A 37 37 GLU CA C 37 61.473 59.924 1.549 1
1 379 . 7 1 1 A 37 37 GLU HA H 37 3.922 3.776 0.146 1
1 380 . 7 1 1 A 37 37 GLU CB C 37 30.028 29.308 0.720 1
1 386 . 7 1 1 A 37 37 GLU C C 37 178.840 179.199 -0.359 1
1 387 . 7 1 1 A 38 38 ARG N N 38 116.143 119.753 -3.610 1
1 388 . 7 1 1 A 38 38 ARG H H 38 7.244 7.515 -0.271 1
1 389 . 7 1 1 A 38 38 ARG CA C 38 58.258 59.351 -1.093 1
1 390 . 7 1 1 A 38 38 ARG HA H 38 4.129 3.999 0.130 1
1 391 . 7 1 1 A 38 38 ARG CB C 38 30.054 29.934 0.120 1
1 400 . 7 1 1 A 38 38 ARG C C 38 177.863 178.263 -0.400 1
1 401 . 7 1 1 A 39 39 THR N N 39 109.313 112.360 -3.047 1
1 402 . 7 1 1 A 39 39 THR H H 39 7.639 7.992 -0.353 1
1 403 . 7 1 1 A 39 39 THR CA C 39 63.892 65.362 -1.470 1
1 404 . 7 1 1 A 39 39 THR HA H 39 4.075 3.941 0.134 1
1 405 . 7 1 1 A 39 39 THR CB C 39 69.337 67.987 1.350 1
1 411 . 7 1 1 A 39 39 THR C C 39 175.843 177.010 -1.167 1
1 412 . 7 1 1 A 40 40 HIS N N 40 119.019 119.184 -0.165 1
1 413 . 7 1 1 A 40 40 HIS H H 40 7.046 7.219 -0.173 1
1 414 . 7 1 1 A 40 40 HIS CA C 40 55.942 59.017 -3.075 1
1 415 . 7 1 1 A 40 40 HIS HA H 40 4.410 4.085 0.325 1
1 416 . 7 1 1 A 40 40 HIS CB C 40 27.446 28.819 -1.373 1
1 423 . 7 1 1 A 40 40 HIS C C 40 175.528 175.792 -0.264 1
1 424 . 7 1 1 A 41 41 THR N N 41 111.847 111.430 0.417 1
1 425 . 7 1 1 A 41 41 THR H H 41 7.579 7.773 -0.194 1
1 426 . 7 1 1 A 41 41 THR CA C 41 62.200 61.305 0.895 1
1 427 . 7 1 1 A 41 41 THR HA H 41 4.152 4.072 0.080 1
1 428 . 7 1 1 A 41 41 THR CB C 41 69.440 67.945 1.495 1
1 434 . 7 1 1 A 41 41 THR C C 41 174.484 173.263 1.221 1
1 435 . 7 1 1 A 42 42 ASP N N 42 122.207 126.485 -4.278 1
1 436 . 7 1 1 A 42 42 ASP H H 42 8.191 8.561 -0.370 1
1 437 . 7 1 1 A 42 42 ASP CA C 42 54.373 52.665 1.708 1
1 438 . 7 1 1 A 42 42 ASP HA H 42 4.524 4.954 -0.430 1
1 439 . 7 1 1 A 42 42 ASP CB C 42 41.045 41.765 -0.720 1
1 442 . 7 1 1 A 42 42 ASP C C 42 175.869 176.829 -0.960 1
1 443 . 7 1 1 A 43 43 GLU N N 43 120.562 121.423 -0.861 1
1 444 . 7 1 1 A 43 43 GLU H H 43 8.064 7.859 0.205 1
1 445 . 7 1 1 A 43 43 GLU CA C 43 57.378 56.207 1.171 1
1 446 . 7 1 1 A 43 43 GLU HA H 43 4.098 4.360 -0.262 1
1 447 . 7 1 1 A 43 43 GLU CB C 43 30.262 30.517 -0.255 1
1 453 . 7 1 1 A 43 43 GLU C C 43 176.313 175.481 0.832 1
1 454 . 7 1 1 A 44 44 ARG N N 44 120.015 119.464 0.551 1
1 455 . 7 1 1 A 44 44 ARG H H 44 8.190 7.387 0.803 1
1 456 . 7 1 1 A 44 44 ARG CA C 44 53.266 52.720 0.546 1
1 457 . 7 1 1 A 44 44 ARG HA H 44 4.533 4.509 0.024 1
1 458 . 7 1 1 A 44 44 ARG CB C 44 30.702 30.691 0.011 1
1 467 . 7 1 1 A 44 44 ARG C C 44 173.360 174.756 -1.396 1
1 468 . 7 1 1 A 45 45 PRO CA C 45 63.459 65.099 -1.640 1
1 469 . 7 1 1 A 45 45 PRO HA H 45 4.298 4.307 -0.009 1
1 470 . 7 1 1 A 45 45 PRO CB C 45 32.219 31.659 0.560 1
1 479 . 7 1 1 A 45 45 PRO C C 45 176.492 176.059 0.433 1
1 480 . 7 1 1 A 46 46 TYR N N 46 119.184 118.539 0.645 1
1 481 . 7 1 1 A 46 46 TYR H H 46 7.840 7.086 0.754 1
1 482 . 7 1 1 A 46 46 TYR CA C 46 57.533 59.676 -2.143 1
1 483 . 7 1 1 A 46 46 TYR HA H 46 4.757 4.582 0.175 1
1 484 . 7 1 1 A 46 46 TYR CB C 46 38.646 39.031 -0.385 1
1 495 . 7 1 1 A 46 46 TYR C C 46 175.414 175.856 -0.442 1
1 496 . 7 1 1 A 47 47 THR N N 47 117.631 117.594 0.037 1
1 497 . 7 1 1 A 47 47 THR H H 47 8.607 8.773 -0.166 1
1 498 . 7 1 1 A 47 47 THR CA C 47 60.593 59.860 0.733 1
1 499 . 7 1 1 A 47 47 THR HA H 47 5.130 5.460 -0.330 1
1 500 . 7 1 1 A 47 47 THR CB C 47 71.076 72.254 -1.178 1
1 506 . 7 1 1 A 47 47 THR C C 47 173.697 172.164 1.533 1
1 507 . 7 1 1 A 48 48 CYS N N 48 127.009 124.189 2.820 1
1 508 . 7 1 1 A 48 48 CYS H H 48 9.072 9.083 -0.011 1
1 509 . 7 1 1 A 48 48 CYS CA C 48 60.153 59.106 1.047 1
1 510 . 7 1 1 A 48 48 CYS HA H 48 4.422 4.706 -0.284 1
1 511 . 7 1 1 A 48 48 CYS CB C 48 29.832 28.868 0.964 1
1 514 . 7 1 1 A 48 48 CYS C C 48 176.023 174.576 1.447 1
1 515 . 7 1 1 A 49 49 ASP N N 49 129.691 122.774 6.917 1
1 516 . 7 1 1 A 49 49 ASP H H 49 9.129 9.164 -0.035 1
1 517 . 7 1 1 A 49 49 ASP CA C 49 55.499 55.267 0.232 1
1 518 . 7 1 1 A 49 49 ASP HA H 49 4.353 4.632 -0.279 1
1 519 . 7 1 1 A 49 49 ASP CB C 49 39.656 42.449 -2.793 1
1 522 . 7 1 1 A 49 49 ASP C C 49 175.094 176.239 -1.145 1
1 523 . 7 1 1 A 50 50 ILE N N 50 121.649 116.537 5.112 1
1 524 . 7 1 1 A 50 50 ILE H H 50 8.661 7.489 1.172 1
1 525 . 7 1 1 A 50 50 ILE CA C 50 62.888 62.868 0.020 1
1 526 . 7 1 1 A 50 50 ILE HA H 50 3.837 3.969 -0.132 1
1 527 . 7 1 1 A 50 50 ILE CB C 50 38.652 38.166 0.486 1
1 540 . 7 1 1 A 50 50 ILE C C 50 176.439 177.724 -1.285 1
1 541 . 7 1 1 A 51 51 CYS N N 51 116.341 117.586 -1.245 1
1 542 . 7 1 1 A 51 51 CYS H H 51 7.973 7.800 0.173 1
1 543 . 7 1 1 A 51 51 CYS CA C 51 58.192 60.128 -1.936 1
1 544 . 7 1 1 A 51 51 CYS HA H 51 4.922 4.384 0.538 1
1 545 . 7 1 1 A 51 51 CYS CB C 51 32.086 27.841 4.245 1
1 548 . 7 1 1 A 51 51 CYS C C 51 175.814 174.945 0.869 1
1 549 . 7 1 1 A 52 52 HIS N N 52 116.961 115.399 1.562 1
1 550 . 7 1 1 A 52 52 HIS H H 52 7.714 7.932 -0.218 1
1 551 . 7 1 1 A 52 52 HIS CA C 52 58.187 56.321 1.866 1
1 552 . 7 1 1 A 52 52 HIS HA H 52 4.521 4.177 0.344 1
1 553 . 7 1 1 A 52 52 HIS CB C 52 27.079 26.748 0.331 1
1 560 . 7 1 1 A 52 52 HIS C C 52 174.215 174.214 0.001 1
1 561 . 7 1 1 A 53 53 LYS N N 53 122.651 118.165 4.486 1
1 562 . 7 1 1 A 53 53 LYS H H 53 7.902 7.954 -0.052 1
1 563 . 7 1 1 A 53 53 LYS CA C 53 58.205 55.127 3.078 1
1 564 . 7 1 1 A 53 53 LYS HA H 53 4.051 4.406 -0.355 1
1 565 . 7 1 1 A 53 53 LYS CB C 53 33.868 33.801 0.067 1
1 577 . 7 1 1 A 53 53 LYS C C 53 173.816 175.550 -1.734 1
1 578 . 7 1 1 A 54 54 ALA N N 54 124.589 127.330 -2.741 1
1 579 . 7 1 1 A 54 54 ALA H H 54 7.885 8.592 -0.707 1
1 580 . 7 1 1 A 54 54 ALA CA C 54 50.573 51.152 -0.579 1
1 581 . 7 1 1 A 54 54 ALA HA H 54 5.098 5.390 -0.292 1
1 582 . 7 1 1 A 54 54 ALA CB C 54 22.290 20.796 1.494 1
1 586 . 7 1 1 A 54 54 ALA C C 54 176.763 176.310 0.453 1
1 587 . 7 1 1 A 55 55 PHE N N 55 117.946 118.385 -0.439 1
1 588 . 7 1 1 A 55 55 PHE H H 55 9.044 8.647 0.397 1
1 589 . 7 1 1 A 55 55 PHE CA C 55 57.320 56.566 0.754 1
1 590 . 7 1 1 A 55 55 PHE HA H 55 4.724 4.884 -0.160 1
1 591 . 7 1 1 A 55 55 PHE CB C 55 43.710 43.124 0.586 1
1 604 . 7 1 1 A 55 55 PHE C C 55 175.251 175.728 -0.477 1
1 605 . 7 1 1 A 56 56 ARG N N 56 119.843 123.333 -3.490 1
1 606 . 7 1 1 A 56 56 ARG H H 56 9.587 8.942 0.645 1
1 607 . 7 1 1 A 56 56 ARG CA C 56 58.117 59.137 -1.020 1
1 608 . 7 1 1 A 56 56 ARG HA H 56 4.603 4.116 0.487 1
1 609 . 7 1 1 A 56 56 ARG CB C 56 31.741 30.782 0.959 1
1 618 . 7 1 1 A 56 56 ARG C C 56 176.201 176.264 -0.063 1
1 619 . 7 1 1 A 57 57 ARG N N 57 113.134 118.650 -5.516 1
1 620 . 7 1 1 A 57 57 ARG H H 57 7.273 7.685 -0.412 1
1 621 . 7 1 1 A 57 57 ARG CA C 57 53.978 55.511 -1.533 1
1 622 . 7 1 1 A 57 57 ARG HA H 57 4.650 4.464 0.186 1
1 623 . 7 1 1 A 57 57 ARG CB C 57 34.701 30.628 4.073 1
1 632 . 7 1 1 A 57 57 ARG C C 57 176.296 177.457 -1.161 1
1 633 . 7 1 1 A 58 58 GLN N N 58 124.070 122.570 1.500 1
1 634 . 7 1 1 A 58 58 GLN H H 58 8.583 8.693 -0.110 1
1 635 . 7 1 1 A 58 58 GLN CA C 58 59.036 59.426 -0.390 1
1 636 . 7 1 1 A 58 58 GLN HA H 58 3.004 3.903 -0.899 1
1 637 . 7 1 1 A 58 58 GLN CB C 58 28.229 28.349 -0.120 1
1 646 . 7 1 1 A 58 58 GLN C C 58 177.925 177.605 0.320 1
1 647 . 7 1 1 A 59 59 ASP CA C 59 56.406 56.975 -0.569 1
1 648 . 7 1 1 A 59 59 ASP HA H 59 4.046 4.405 -0.359 1
1 649 . 7 1 1 A 59 59 ASP CB C 59 38.248 40.236 -1.988 1
1 652 . 7 1 1 A 59 59 ASP C C 59 177.698 178.843 -1.145 1
1 653 . 7 1 1 A 60 60 HIS N N 60 119.173 117.381 1.792 1
1 654 . 7 1 1 A 60 60 HIS H H 60 6.954 8.153 -1.199 1
1 655 . 7 1 1 A 60 60 HIS CA C 60 56.843 59.059 -2.216 1
1 656 . 7 1 1 A 60 60 HIS HA H 60 4.432 4.278 0.154 1
1 657 . 7 1 1 A 60 60 HIS CB C 60 31.752 30.049 1.703 1
1 664 . 7 1 1 A 60 60 HIS C C 60 178.617 177.818 0.799 1
1 665 . 7 1 1 A 61 61 LEU N N 61 120.844 120.668 0.176 1
1 666 . 7 1 1 A 61 61 LEU H H 61 6.979 7.783 -0.804 1
1 667 . 7 1 1 A 61 61 LEU CA C 61 57.728 57.361 0.367 1
1 668 . 7 1 1 A 61 61 LEU HA H 61 3.145 2.561 0.584 1
1 669 . 7 1 1 A 61 61 LEU CB C 61 40.153 41.321 -1.168 1
1 682 . 7 1 1 A 61 61 LEU C C 61 176.855 178.481 -1.626 1
1 683 . 7 1 1 A 62 62 ARG N N 62 120.225 119.086 1.139 1
1 684 . 7 1 1 A 62 62 ARG H H 62 8.012 8.274 -0.262 1
1 685 . 7 1 1 A 62 62 ARG CA C 62 59.526 59.672 -0.146 1
1 686 . 7 1 1 A 62 62 ARG HA H 62 3.724 3.963 -0.239 1
1 687 . 7 1 1 A 62 62 ARG CB C 62 29.388 29.950 -0.562 1
1 696 . 7 1 1 A 62 62 ARG C C 62 178.582 179.041 -0.459 1
1 697 . 7 1 1 A 63 63 ASP N N 63 117.219 119.946 -2.727 1
1 698 . 7 1 1 A 63 63 ASP H H 63 7.823 8.293 -0.470 1
1 699 . 7 1 1 A 63 63 ASP CA C 63 56.694 57.336 -0.642 1
1 700 . 7 1 1 A 63 63 ASP HA H 63 4.401 4.291 0.110 1
1 701 . 7 1 1 A 63 63 ASP CB C 63 40.226 40.258 -0.032 1
1 704 . 7 1 1 A 63 63 ASP C C 63 178.560 178.849 -0.289 1
1 705 . 7 1 1 A 64 64 HIS N N 64 119.185 120.290 -1.105 1
1 706 . 7 1 1 A 64 64 HIS H H 64 7.606 7.958 -0.352 1
1 707 . 7 1 1 A 64 64 HIS CA C 64 58.772 59.838 -1.066 1
1 708 . 7 1 1 A 64 64 HIS HA H 64 4.211 4.047 0.164 1
1 709 . 7 1 1 A 64 64 HIS CB C 64 28.533 29.317 -0.784 1
1 716 . 7 1 1 A 64 64 HIS C C 64 176.334 177.317 -0.983 1
1 717 . 7 1 1 A 65 65 ARG N N 65 116.490 118.273 -1.783 1
1 718 . 7 1 1 A 65 65 ARG H H 65 8.157 7.836 0.321 1
1 719 . 7 1 1 A 65 65 ARG CA C 65 59.666 59.250 0.416 1
1 720 . 7 1 1 A 65 65 ARG HA H 65 3.576 3.866 -0.290 1
1 721 . 7 1 1 A 65 65 ARG CB C 65 29.958 29.989 -0.031 1
1 730 . 7 1 1 A 65 65 ARG C C 65 178.301 177.727 0.574 1
1 731 . 7 1 1 A 66 66 TYR N N 66 117.286 120.285 -2.999 1
1 732 . 7 1 1 A 66 66 TYR H H 66 7.169 8.068 -0.899 1
1 733 . 7 1 1 A 66 66 TYR CA C 66 60.186 61.111 -0.925 1
1 734 . 7 1 1 A 66 66 TYR HA H 66 4.339 4.117 0.222 1
1 735 . 7 1 1 A 66 66 TYR CB C 66 37.960 38.423 -0.463 1
1 746 . 7 1 1 A 66 66 TYR C C 66 178.191 177.503 0.688 1
1 747 . 7 1 1 A 67 67 ILE N N 67 117.609 115.335 2.274 1
1 748 . 7 1 1 A 67 67 ILE H H 67 7.883 8.153 -0.270 1
1 749 . 7 1 1 A 67 67 ILE CA C 67 63.440 63.527 -0.087 1
1 750 . 7 1 1 A 67 67 ILE HA H 67 3.836 3.911 -0.075 1
1 751 . 7 1 1 A 67 67 ILE CB C 67 37.482 37.229 0.253 1
1 764 . 7 1 1 A 67 67 ILE C C 67 177.511 176.271 1.240 1
1 765 . 7 1 1 A 68 68 HIS N N 68 116.764 121.973 -5.209 1
1 766 . 7 1 1 A 68 68 HIS H H 68 7.140 7.571 -0.431 1
1 767 . 7 1 1 A 68 68 HIS CA C 68 55.340 55.890 -0.550 1
1 768 . 7 1 1 A 68 68 HIS HA H 68 4.768 4.438 0.330 1
1 769 . 7 1 1 A 68 68 HIS CB C 68 28.687 30.629 -1.942 1
1 776 . 7 1 1 A 68 68 HIS C C 68 175.627 176.267 -0.640 1
1 777 . 7 1 1 A 69 69 SER N N 69 114.870 118.020 -3.150 1
1 778 . 7 1 1 A 69 69 SER H H 69 7.731 8.990 -1.259 1
1 779 . 7 1 1 A 69 69 SER CA C 69 59.200 59.159 0.041 1
1 780 . 7 1 1 A 69 69 SER HA H 69 4.379 3.936 0.443 1
1 781 . 7 1 1 A 69 69 SER CB C 69 63.765 62.030 1.735 1
1 784 . 7 1 1 A 69 69 SER C C 69 174.692 173.259 1.433 1
1 785 . 7 1 1 A 70 70 LYS N N 70 121.978 119.761 2.217 1
1 786 . 7 1 1 A 70 70 LYS H H 70 8.063 7.634 0.429 1
1 787 . 7 1 1 A 70 70 LYS CA C 70 56.825 55.250 1.575 1
1 788 . 7 1 1 A 70 70 LYS HA H 70 4.214 4.771 -0.557 1
1 789 . 7 1 1 A 70 70 LYS CB C 70 32.539 36.264 -3.725 1
1 801 . 7 1 1 A 70 70 LYS C C 70 176.806 174.292 2.514 1
1 802 . 7 1 1 A 71 71 GLU N N 71 120.177 127.630 -7.453 1
1 803 . 7 1 1 A 71 71 GLU H H 71 8.008 8.595 -0.587 1
1 804 . 7 1 1 A 71 71 GLU CA C 71 56.472 57.188 -0.716 1
1 805 . 7 1 1 A 71 71 GLU HA H 71 4.191 4.360 -0.169 1
1 806 . 7 1 1 A 71 71 GLU CB C 71 29.335 30.312 -0.977 1
1 811 . 7 1 1 A 71 71 GLU C C 71 176.040 175.530 0.510 1
1 812 . 7 1 1 A 72 72 LYS N N 72 121.800 126.386 -4.586 1
1 813 . 7 1 1 A 72 72 LYS H H 72 8.277 8.458 -0.181 1
1 814 . 7 1 1 A 72 72 LYS CA C 72 53.820 53.183 0.637 1
1 815 . 7 1 1 A 72 72 LYS HA H 72 4.391 4.667 -0.276 1
1 816 . 7 1 1 A 72 72 LYS CB C 72 32.139 33.330 -1.191 1
1 828 . 7 1 1 A 72 72 LYS C C 72 174.768 176.262 -1.494 1
1 829 . 7 1 1 A 73 73 PRO CA C 73 63.978 65.147 -1.169 1
1 830 . 7 1 1 A 73 73 PRO HA H 73 4.144 4.423 -0.279 1
1 831 . 7 1 1 A 73 73 PRO CB C 73 31.953 31.976 -0.023 1
1 840 . 7 1 1 A 73 73 PRO C C 73 176.402 176.316 0.086 1
1 841 . 7 1 1 A 74 74 PHE N N 74 117.425 113.566 3.859 1
1 842 . 7 1 1 A 74 74 PHE H H 74 7.686 7.553 0.133 1
1 843 . 7 1 1 A 74 74 PHE CA C 74 57.020 55.352 1.668 1
1 844 . 7 1 1 A 74 74 PHE HA H 74 4.691 5.080 -0.389 1
1 845 . 7 1 1 A 74 74 PHE CB C 74 39.403 40.740 -1.337 1
1 856 . 7 1 1 A 74 74 PHE C C 74 174.442 173.938 0.504 1
1 857 . 7 1 1 A 75 75 LYS N N 75 123.931 123.812 0.119 1
1 858 . 7 1 1 A 75 75 LYS H H 75 8.590 8.708 -0.118 1
1 859 . 7 1 1 A 75 75 LYS CA C 75 54.951 55.522 -0.571 1
1 860 . 7 1 1 A 75 75 LYS HA H 75 5.021 4.692 0.329 1
1 861 . 7 1 1 A 75 75 LYS CB C 75 35.286 35.953 -0.667 1
1 873 . 7 1 1 A 75 75 LYS C C 75 175.465 175.100 0.365 1
1 874 . 7 1 1 A 76 76 CYS N N 76 126.279 124.840 1.439 1
1 875 . 7 1 1 A 76 76 CYS H H 76 9.149 9.047 0.102 1
1 876 . 7 1 1 A 76 76 CYS CA C 76 59.553 60.057 -0.504 1
1 877 . 7 1 1 A 76 76 CYS HA H 76 4.462 4.580 -0.118 1
1 878 . 7 1 1 A 76 76 CYS CB C 76 29.772 28.770 1.002 1
1 881 . 7 1 1 A 76 76 CYS C C 76 177.367 176.336 1.031 1
1 882 . 7 1 1 A 77 77 GLN CA C 77 58.117 56.056 2.061 1
1 883 . 7 1 1 A 77 77 GLN HA H 77 4.130 4.613 -0.483 1
1 884 . 7 1 1 A 77 77 GLN CB C 77 28.479 28.746 -0.267 1
1 893 . 7 1 1 A 77 77 GLN C C 77 176.283 177.026 -0.743 1
1 894 . 7 1 1 A 78 78 GLU N N 78 120.320 120.101 0.219 1
1 895 . 7 1 1 A 78 78 GLU H H 78 8.682 7.988 0.694 1
1 896 . 7 1 1 A 78 78 GLU CA C 78 58.540 57.491 1.049 1
1 897 . 7 1 1 A 78 78 GLU HA H 78 4.165 4.309 -0.144 1
1 898 . 7 1 1 A 78 78 GLU CB C 78 29.469 30.947 -1.478 1
1 904 . 7 1 1 A 78 78 GLU C C 78 177.275 178.025 -0.750 1
1 905 . 7 1 1 A 79 79 CYS N N 79 114.728 114.542 0.186 1
1 906 . 7 1 1 A 79 79 CYS H H 79 8.018 8.170 -0.152 1
1 907 . 7 1 1 A 79 79 CYS CA C 79 58.271 59.431 -1.160 1
1 908 . 7 1 1 A 79 79 CYS HA H 79 5.142 4.672 0.470 1
1 909 . 7 1 1 A 79 79 CYS CB C 79 32.339 30.277 2.062 1
1 912 . 7 1 1 A 79 79 CYS C C 79 176.280 175.757 0.523 1
1 913 . 7 1 1 A 80 80 GLY N N 80 113.675 110.303 3.372 1
1 914 . 7 1 1 A 80 80 GLY H H 80 8.133 8.326 -0.193 1
1 915 . 7 1 1 A 80 80 GLY CA C 80 46.206 45.672 0.534 1
1 916 . 7 1 1 A 80 80 GLY HA2 H 80 4.213 3.982 0.231 1
1 917 . 7 1 1 A 80 80 GLY HA3 H 80 3.755 4.000 -0.245 1
1 918 . 7 1 1 A 80 80 GLY C C 80 173.619 174.659 -1.040 1
1 919 . 7 1 1 A 81 81 LYS N N 81 122.811 119.169 3.642 1
1 920 . 7 1 1 A 81 81 LYS H H 81 7.945 7.858 0.087 1
1 921 . 7 1 1 A 81 81 LYS CA C 81 58.211 55.388 2.823 1
1 922 . 7 1 1 A 81 81 LYS HA H 81 3.947 4.373 -0.426 1
1 923 . 7 1 1 A 81 81 LYS CB C 81 33.921 34.197 -0.276 1
1 935 . 7 1 1 A 81 81 LYS C C 81 174.639 175.470 -0.831 1
1 936 . 7 1 1 A 82 82 GLY N N 82 108.366 108.126 0.240 1
1 937 . 7 1 1 A 82 82 GLY H H 82 7.936 8.047 -0.111 1
1 938 . 7 1 1 A 82 82 GLY CA C 82 44.048 45.430 -1.382 1
1 939 . 7 1 1 A 82 82 GLY HA2 H 82 4.847 4.125 0.722 1
1 940 . 7 1 1 A 82 82 GLY HA3 H 82 3.291 4.154 -0.863 1
1 941 . 7 1 1 A 82 82 GLY C C 82 172.166 172.788 -0.622 1
1 942 . 7 1 1 A 83 83 PHE N N 83 117.822 124.599 -6.777 1
1 943 . 7 1 1 A 83 83 PHE H H 83 8.697 8.703 -0.006 1
1 944 . 7 1 1 A 83 83 PHE CA C 83 57.338 58.094 -0.756 1
1 945 . 7 1 1 A 83 83 PHE HA H 83 4.755 4.676 0.079 1
1 946 . 7 1 1 A 83 83 PHE CB C 83 43.462 40.775 2.687 1
1 959 . 7 1 1 A 83 83 PHE C C 83 175.424 175.767 -0.343 1
1 960 . 7 1 1 A 84 84 CYS CA C 84 60.706 58.022 2.684 1
1 961 . 7 1 1 A 84 84 CYS HA H 84 4.608 4.888 -0.280 1
1 962 . 7 1 1 A 84 84 CYS CB C 84 28.990 27.407 1.583 1
1 965 . 7 1 1 A 84 84 CYS C C 84 174.163 174.061 0.102 1
1 966 . 7 1 1 A 85 85 GLN N N 85 114.620 120.337 -5.717 1
1 967 . 7 1 1 A 85 85 GLN H H 85 7.326 7.664 -0.338 1
1 968 . 7 1 1 A 85 85 GLN CA C 85 54.098 53.887 0.211 1
1 969 . 7 1 1 A 85 85 GLN HA H 85 4.648 4.789 -0.141 1
1 970 . 7 1 1 A 85 85 GLN CB C 85 32.066 32.174 -0.108 1
1 979 . 7 1 1 A 85 85 GLN C C 85 175.230 175.032 0.198 1
1 980 . 7 1 1 A 86 86 SER CA C 86 61.164 60.374 0.790 1
1 981 . 7 1 1 A 86 86 SER HA H 86 3.078 4.432 -1.354 1
1 982 . 7 1 1 A 86 86 SER CB C 86 61.738 64.162 -2.424 1
1 985 . 7 1 1 A 87 87 ARG CA C 87 58.886 58.250 0.636 1
1 986 . 7 1 1 A 87 87 ARG HA H 87 4.049 4.176 -0.127 1
1 987 . 7 1 1 A 87 87 ARG CB C 87 29.519 30.077 -0.558 1
1 996 . 7 1 1 A 87 87 ARG C C 87 177.520 178.587 -1.067 1
1 997 . 7 1 1 A 88 88 THR N N 88 112.500 116.887 -4.387 1
1 998 . 7 1 1 A 88 88 THR H H 88 6.796 7.934 -1.138 1
1 999 . 7 1 1 A 88 88 THR CA C 88 64.598 67.102 -2.504 1
1 1000 . 7 1 1 A 88 88 THR HA H 88 3.844 3.826 0.018 1
1 1001 . 7 1 1 A 88 88 THR CB C 88 67.809 68.499 -0.690 1
1 1007 . 7 1 1 A 88 88 THR C C 88 177.343 176.096 1.247 1
1 1008 . 7 1 1 A 89 89 LEU N N 89 123.163 120.747 2.416 1
1 1009 . 7 1 1 A 89 89 LEU H H 89 6.898 8.157 -1.259 1
1 1010 . 7 1 1 A 89 89 LEU CA C 89 57.692 57.742 -0.050 1
1 1011 . 7 1 1 A 89 89 LEU HA H 89 3.147 3.932 -0.785 1
1 1012 . 7 1 1 A 89 89 LEU CB C 89 40.133 41.537 -1.404 1
1 1025 . 7 1 1 A 89 89 LEU C C 89 176.886 178.511 -1.625 1
1 1026 . 7 1 1 A 90 90 ALA N N 90 120.747 121.418 -0.671 1
1 1027 . 7 1 1 A 90 90 ALA H H 90 7.837 7.884 -0.047 1
1 1028 . 7 1 1 A 90 90 ALA CA C 90 55.646 55.117 0.529 1
1 1029 . 7 1 1 A 90 90 ALA HA H 90 3.914 4.154 -0.240 1
1 1030 . 7 1 1 A 90 90 ALA CB C 90 17.722 19.131 -1.409 1
1 1034 . 7 1 1 A 90 90 ALA C C 90 180.692 178.969 1.723 1
1 1035 . 7 1 1 A 91 91 VAL N N 91 117.181 117.598 -0.417 1
1 1036 . 7 1 1 A 91 91 VAL H H 91 7.475 8.481 -1.006 1
1 1037 . 7 1 1 A 91 91 VAL CA C 91 65.880 64.711 1.169 1
1 1038 . 7 1 1 A 91 91 VAL HA H 91 3.662 3.849 -0.187 1
1 1039 . 7 1 1 A 91 91 VAL CB C 91 32.018 31.446 0.572 1
1 1049 . 7 1 1 A 91 91 VAL C C 91 178.708 177.417 1.291 1
1 1050 . 7 1 1 A 92 92 HIS N N 92 121.501 121.425 0.076 1
1 1051 . 7 1 1 A 92 92 HIS H H 92 7.625 8.089 -0.464 1
1 1052 . 7 1 1 A 92 92 HIS CA C 92 59.553 59.148 0.405 1
1 1053 . 7 1 1 A 92 92 HIS HA H 92 4.095 4.250 -0.155 1
1 1054 . 7 1 1 A 92 92 HIS CB C 92 28.040 29.716 -1.676 1
1 1061 . 7 1 1 A 92 92 HIS C C 92 176.518 177.235 -0.717 1
1 1062 . 7 1 1 A 93 93 LYS N N 93 116.162 118.564 -2.402 1
1 1063 . 7 1 1 A 93 93 LYS H H 93 8.372 8.015 0.357 1
1 1064 . 7 1 1 A 93 93 LYS CA C 93 60.253 59.441 0.812 1
1 1065 . 7 1 1 A 93 93 LYS HA H 93 3.732 4.000 -0.268 1
1 1066 . 7 1 1 A 93 93 LYS CB C 93 32.158 32.589 -0.431 1
1 1078 . 7 1 1 A 93 93 LYS C C 93 179.211 178.766 0.445 1
1 1079 . 7 1 1 A 94 94 THR N N 94 111.607 113.718 -2.111 1
1 1080 . 7 1 1 A 94 94 THR H H 94 7.434 8.013 -0.579 1
1 1081 . 7 1 1 A 94 94 THR CA C 94 65.106 65.782 -0.676 1
1 1082 . 7 1 1 A 94 94 THR HA H 94 4.034 4.025 0.009 1
1 1083 . 7 1 1 A 94 94 THR CB C 94 69.075 68.329 0.746 1
1 1089 . 7 1 1 A 94 94 THR C C 94 176.406 176.603 -0.197 1
1 1090 . 7 1 1 A 95 95 LEU N N 95 121.689 119.206 2.483 1
1 1091 . 7 1 1 A 95 95 LEU H H 95 7.725 7.594 0.131 1
1 1092 . 7 1 1 A 95 95 LEU CA C 95 56.680 57.451 -0.771 1
1 1093 . 7 1 1 A 95 95 LEU HA H 95 4.020 3.888 0.132 1
1 1094 . 7 1 1 A 95 95 LEU CB C 95 41.186 41.245 -0.059 1
1 1107 . 7 1 1 A 95 95 LEU C C 95 178.956 178.287 0.669 1
1 1108 . 7 1 1 A 96 96 HIS N N 96 114.750 117.098 -2.348 1
1 1109 . 7 1 1 A 96 96 HIS H H 96 7.160 7.534 -0.374 1
1 1110 . 7 1 1 A 96 96 HIS CA C 96 55.206 58.619 -3.413 1
1 1111 . 7 1 1 A 96 96 HIS HA H 96 4.730 4.388 0.342 1
1 1112 . 7 1 1 A 96 96 HIS CB C 96 28.687 30.340 -1.653 1
1 1119 . 7 1 1 A 96 96 HIS C C 96 175.230 175.674 -0.444 1
1 1120 . 7 1 1 A 97 97 MET N N 97 118.984 116.049 2.935 1
1 1121 . 7 1 1 A 97 97 MET H H 97 7.626 7.166 0.460 1
1 1122 . 7 1 1 A 97 97 MET CA C 97 55.995 56.050 -0.055 1
1 1123 . 7 1 1 A 97 97 MET HA H 97 4.424 4.366 0.058 1
1 1124 . 7 1 1 A 97 97 MET CB C 97 33.065 32.963 0.102 1
1 1134 . 7 1 1 A 97 97 MET C C 97 176.174 176.156 0.018 1
1 1135 . 7 1 1 A 98 98 GLN N N 98 120.828 121.918 -1.090 1
1 1136 . 7 1 1 A 98 98 GLN H H 98 8.271 8.304 -0.033 1
1 1137 . 7 1 1 A 98 98 GLN CA C 98 55.951 55.639 0.312 1
1 1138 . 7 1 1 A 98 98 GLN HA H 98 4.382 4.343 0.039 1
1 1139 . 7 1 1 A 98 98 GLN CB C 98 29.364 29.397 -0.033 1
1 1148 . 7 1 1 A 98 98 GLN C C 98 176.242 175.686 0.556 1
1 1149 . 7 1 1 A 99 99 THR N N 99 114.965 116.169 -1.204 1
1 1150 . 7 1 1 A 99 99 THR H H 99 8.200 8.671 -0.471 1
1 1151 . 7 1 1 A 99 99 THR CA C 99 61.773 61.144 0.629 1
1 1152 . 7 1 1 A 99 99 THR HA H 99 4.374 5.012 -0.638 1
1 1153 . 7 1 1 A 99 99 THR CB C 99 69.654 72.117 -2.463 1
1 1159 . 7 1 1 A 99 99 THR C C 99 174.491 174.026 0.465 1
1 1160 . 7 1 1 A 100 100 SER N N 100 118.047 118.030 0.017 1
1 1161 . 7 1 1 A 100 100 SER H H 100 8.311 8.882 -0.571 1
1 1162 . 7 1 1 A 100 100 SER CA C 100 58.240 56.773 1.467 1
1 1163 . 7 1 1 A 100 100 SER HA H 100 4.493 5.244 -0.751 1
1 1164 . 7 1 1 A 100 100 SER CB C 100 63.843 65.602 -1.759 1
1 1167 . 7 1 1 A 100 100 SER C C 100 174.152 173.976 0.176 1
1 1168 . 7 1 1 A 101 101 SER N N 101 118.812 117.698 1.114 1
1 1169 . 7 1 1 A 101 101 SER H H 101 8.358 8.720 -0.362 1
1 1170 . 7 1 1 A 101 101 SER CA C 101 56.348 55.269 1.079 1
1 1171 . 7 1 1 A 101 101 SER HA H 101 4.773 4.968 -0.195 1
1 1172 . 7 1 1 A 101 101 SER CB C 101 63.554 65.521 -1.967 1
1 1175 . 7 1 1 A 101 101 SER C C 101 172.898 172.029 0.869 1
1 1176 . 7 1 1 A 102 102 PRO CA C 102 63.453 62.380 1.073 1
1 1177 . 7 1 1 A 102 102 PRO HA H 102 4.485 4.645 -0.160 1
1 1178 . 7 1 1 A 102 102 PRO CB C 102 32.126 33.151 -1.025 1
1 1187 . 7 1 1 A 102 102 PRO C C 102 177.181 176.004 1.177 1
1 1188 . 7 1 1 A 103 103 THR N N 103 114.257 111.674 2.583 1
1 1189 . 7 1 1 A 103 103 THR H H 103 8.188 8.248 -0.060 1
1 1190 . 7 1 1 A 103 103 THR CA C 103 61.748 59.844 1.904 1
1 1191 . 7 1 1 A 103 103 THR HA H 103 4.273 4.999 -0.726 1
1 1192 . 7 1 1 A 103 103 THR CB C 103 69.833 71.747 -1.914 1
1 1198 . 7 1 1 A 103 103 THR C C 103 174.258 174.888 -0.630 1
1 1199 . 7 1 1 A 104 104 ALA N N 104 126.872 126.968 -0.096 1
1 1200 . 7 1 1 A 104 104 ALA H H 104 8.240 8.821 -0.581 1
1 1201 . 7 1 1 A 104 104 ALA CA C 104 52.369 55.589 -3.220 1
1 1202 . 7 1 1 A 104 104 ALA HA H 104 4.316 4.044 0.272 1
1 1203 . 7 1 1 A 104 104 ALA CB C 104 19.417 18.452 0.965 1
1 1207 . 7 1 1 A 104 104 ALA C C 104 177.129 177.487 -0.358 1
1 1208 . 7 1 1 A 105 105 ALA N N 105 124.353 118.362 5.991 1
1 1209 . 7 1 1 A 105 105 ALA H H 105 8.312 7.879 0.433 1
1 1210 . 7 1 1 A 105 105 ALA CA C 105 52.408 53.121 -0.713 1
1 1211 . 7 1 1 A 105 105 ALA HA H 105 4.327 3.948 0.379 1
1 1212 . 7 1 1 A 105 105 ALA CB C 105 19.416 17.289 2.127 1
1 1216 . 7 1 1 A 105 105 ALA C C 105 176.902 177.765 -0.863 1
1 1 . 8 1 1 A 8 8 GLY CA C 8 45.171 45.803 -0.632 1
1 2 . 8 1 1 A 8 8 GLY HA2 H 8 3.976 4.119 -0.143 1
1 3 . 8 1 1 A 8 8 GLY HA3 H 8 3.976 4.119 -0.143 1
1 4 . 8 1 1 A 8 8 GLY C C 8 173.956 171.958 1.998 1
1 5 . 8 1 1 A 9 9 ARG N N 9 120.445 120.600 -0.155 1
1 6 . 8 1 1 A 9 9 ARG H H 9 8.126 8.817 -0.691 1
1 7 . 8 1 1 A 9 9 ARG CA C 9 55.873 53.789 2.084 1
1 8 . 8 1 1 A 9 9 ARG HA H 9 4.318 5.232 -0.914 1
1 9 . 8 1 1 A 9 9 ARG CB C 9 30.899 34.823 -3.924 1
1 18 . 8 1 1 A 9 9 ARG C C 9 176.192 174.241 1.951 1
1 19 . 8 1 1 A 10 10 LEU N N 10 125.156 118.467 6.689 1
1 20 . 8 1 1 A 10 10 LEU H H 10 8.357 8.793 -0.436 1
1 21 . 8 1 1 A 10 10 LEU CA C 10 53.058 51.976 1.082 1
1 22 . 8 1 1 A 10 10 LEU HA H 10 4.589 4.838 -0.249 1
1 23 . 8 1 1 A 10 10 LEU CB C 10 41.599 44.789 -3.190 1
1 36 . 8 1 1 A 10 10 LEU C C 10 175.327 173.755 1.572 1
1 37 . 8 1 1 A 11 11 PRO CA C 11 63.064 62.775 0.289 1
1 38 . 8 1 1 A 11 11 PRO HA H 11 4.416 4.790 -0.374 1
1 39 . 8 1 1 A 11 11 PRO CB C 11 32.095 31.884 0.211 1
1 48 . 8 1 1 A 13 13 LYS CA C 13 56.353 55.305 1.048 1
1 49 . 8 1 1 A 13 13 LYS HA H 13 4.383 5.055 -0.672 1
1 50 . 8 1 1 A 13 13 LYS CB C 13 33.019 36.894 -3.875 1
1 62 . 8 1 1 A 13 13 LYS C C 13 176.694 174.645 2.049 1
1 63 . 8 1 1 A 14 14 THR N N 14 115.691 116.424 -0.733 1
1 64 . 8 1 1 A 14 14 THR H H 14 8.140 8.647 -0.507 1
1 65 . 8 1 1 A 14 14 THR CA C 14 61.919 59.770 2.149 1
1 66 . 8 1 1 A 14 14 THR HA H 14 4.265 5.000 -0.735 1
1 67 . 8 1 1 A 14 14 THR CB C 14 69.860 71.938 -2.078 1
1 73 . 8 1 1 A 14 14 THR C C 14 174.261 172.265 1.996 1
1 74 . 8 1 1 A 15 15 LYS N N 15 124.645 124.158 0.487 1
1 75 . 8 1 1 A 15 15 LYS H H 15 8.323 8.388 -0.065 1
1 76 . 8 1 1 A 15 15 LYS CA C 15 56.226 54.578 1.648 1
1 77 . 8 1 1 A 15 15 LYS HA H 15 4.278 4.729 -0.451 1
1 78 . 8 1 1 A 15 15 LYS CB C 15 33.220 34.466 -1.246 1
1 90 . 8 1 1 A 15 15 LYS C C 15 175.921 176.000 -0.079 1
1 91 . 8 1 1 A 16 16 LYS N N 16 123.830 119.462 4.368 1
1 92 . 8 1 1 A 16 16 LYS H H 16 8.332 8.243 0.089 1
1 93 . 8 1 1 A 16 16 LYS CA C 16 55.966 55.616 0.350 1
1 94 . 8 1 1 A 16 16 LYS HA H 16 4.192 4.669 -0.477 1
1 95 . 8 1 1 A 16 16 LYS CB C 16 33.028 33.136 -0.108 1
1 107 . 8 1 1 A 16 16 LYS C C 16 175.334 175.655 -0.321 1
1 108 . 8 1 1 A 17 17 GLU N N 17 121.077 122.152 -1.075 1
1 109 . 8 1 1 A 17 17 GLU H H 17 7.931 8.829 -0.898 1
1 110 . 8 1 1 A 17 17 GLU CA C 17 55.463 54.210 1.253 1
1 111 . 8 1 1 A 17 17 GLU HA H 17 4.300 4.610 -0.310 1
1 112 . 8 1 1 A 17 17 GLU CB C 17 31.984 33.874 -1.890 1
1 118 . 8 1 1 A 17 17 GLU C C 17 174.646 175.870 -1.224 1
1 119 . 8 1 1 A 18 18 PHE N N 18 121.605 119.338 2.267 1
1 120 . 8 1 1 A 18 18 PHE H H 18 8.560 8.608 -0.048 1
1 121 . 8 1 1 A 18 18 PHE CA C 18 56.963 58.463 -1.500 1
1 122 . 8 1 1 A 18 18 PHE HA H 18 4.675 4.789 -0.114 1
1 123 . 8 1 1 A 18 18 PHE CB C 18 39.653 40.255 -0.602 1
1 134 . 8 1 1 A 18 18 PHE C C 18 173.933 175.941 -2.008 1
1 135 . 8 1 1 A 19 19 ILE N N 19 123.977 119.869 4.108 1
1 136 . 8 1 1 A 19 19 ILE H H 19 8.425 8.707 -0.282 1
1 137 . 8 1 1 A 19 19 ILE CA C 19 59.740 59.614 0.126 1
1 138 . 8 1 1 A 19 19 ILE HA H 19 4.654 5.112 -0.458 1
1 139 . 8 1 1 A 19 19 ILE CB C 19 41.000 41.657 -0.657 1
1 152 . 8 1 1 A 19 19 ILE C C 19 175.584 174.810 0.774 1
1 153 . 8 1 1 A 20 20 CYS N N 20 129.741 127.152 2.589 1
1 154 . 8 1 1 A 20 20 CYS H H 20 9.224 9.101 0.123 1
1 155 . 8 1 1 A 20 20 CYS CA C 20 59.974 59.274 0.700 1
1 156 . 8 1 1 A 20 20 CYS HA H 20 4.827 4.482 0.345 1
1 157 . 8 1 1 A 20 20 CYS CB C 20 30.335 29.039 1.296 1
1 160 . 8 1 1 A 20 20 CYS C C 20 178.043 175.527 2.516 1
1 161 . 8 1 1 A 21 21 LYS N N 21 132.598 122.203 10.395 1
1 162 . 8 1 1 A 21 21 LYS H H 21 9.473 8.599 0.874 1
1 163 . 8 1 1 A 21 21 LYS CA C 21 58.099 56.737 1.362 1
1 164 . 8 1 1 A 21 21 LYS HA H 21 4.104 4.551 -0.447 1
1 165 . 8 1 1 A 21 21 LYS CB C 21 31.695 34.268 -2.573 1
1 177 . 8 1 1 A 21 21 LYS C C 21 175.765 178.160 -2.395 1
1 178 . 8 1 1 A 22 22 PHE N N 22 121.000 117.970 3.030 1
1 179 . 8 1 1 A 22 22 PHE H H 22 9.158 8.257 0.901 1
1 180 . 8 1 1 A 22 22 PHE CA C 22 59.743 60.040 -0.297 1
1 181 . 8 1 1 A 22 22 PHE HA H 22 4.394 4.122 0.272 1
1 182 . 8 1 1 A 22 22 PHE CB C 22 37.953 38.124 -0.171 1
1 195 . 8 1 1 A 22 22 PHE C C 22 176.819 177.259 -0.440 1
1 196 . 8 1 1 A 23 23 CYS N N 23 115.955 113.584 2.371 1
1 197 . 8 1 1 A 23 23 CYS H H 23 8.410 7.968 0.442 1
1 198 . 8 1 1 A 23 23 CYS CA C 23 58.486 59.456 -0.970 1
1 199 . 8 1 1 A 23 23 CYS HA H 23 5.262 4.658 0.604 1
1 200 . 8 1 1 A 23 23 CYS CB C 23 33.092 30.462 2.630 1
1 203 . 8 1 1 A 23 23 CYS C C 23 176.770 175.804 0.966 1
1 204 . 8 1 1 A 24 24 GLY N N 24 112.575 111.042 1.533 1
1 205 . 8 1 1 A 24 24 GLY H H 24 8.092 8.214 -0.122 1
1 206 . 8 1 1 A 24 24 GLY CA C 24 46.302 46.653 -0.351 1
1 207 . 8 1 1 A 24 24 GLY HA2 H 24 4.238 4.011 0.227 1
1 208 . 8 1 1 A 24 24 GLY HA3 H 24 3.776 4.018 -0.242 1
1 209 . 8 1 1 A 24 24 GLY C C 24 173.621 174.329 -0.708 1
1 210 . 8 1 1 A 25 25 ARG N N 25 122.678 120.147 2.531 1
1 211 . 8 1 1 A 25 25 ARG H H 25 8.079 7.875 0.204 1
1 212 . 8 1 1 A 25 25 ARG CA C 25 58.063 54.614 3.449 1
1 213 . 8 1 1 A 25 25 ARG HA H 25 4.096 4.987 -0.891 1
1 214 . 8 1 1 A 25 25 ARG CB C 25 31.628 33.444 -1.816 1
1 223 . 8 1 1 A 25 25 ARG C C 25 174.641 175.129 -0.488 1
1 224 . 8 1 1 A 26 26 HIS N N 26 121.510 123.362 -1.852 1
1 225 . 8 1 1 A 26 26 HIS H H 26 8.454 9.255 -0.801 1
1 226 . 8 1 1 A 26 26 HIS CA C 26 55.553 55.085 0.468 1
1 227 . 8 1 1 A 26 26 HIS HA H 26 5.166 5.266 -0.100 1
1 228 . 8 1 1 A 26 26 HIS CB C 26 32.066 31.178 0.888 1
1 235 . 8 1 1 A 26 26 HIS C C 26 174.732 175.036 -0.304 1
1 236 . 8 1 1 A 27 27 PHE N N 27 119.065 120.112 -1.047 1
1 237 . 8 1 1 A 27 27 PHE H H 27 9.035 8.677 0.358 1
1 238 . 8 1 1 A 27 27 PHE CA C 27 57.515 56.671 0.844 1
1 239 . 8 1 1 A 27 27 PHE HA H 27 4.724 4.925 -0.201 1
1 240 . 8 1 1 A 27 27 PHE CB C 27 43.276 43.810 -0.534 1
1 253 . 8 1 1 A 27 27 PHE C C 27 175.205 175.734 -0.529 1
1 254 . 8 1 1 A 28 28 THR CA C 28 62.856 64.913 -2.057 1
1 255 . 8 1 1 A 28 28 THR HA H 28 4.691 4.338 0.353 1
1 256 . 8 1 1 A 28 28 THR CB C 28 69.897 69.526 0.371 1
1 262 . 8 1 1 A 28 28 THR C C 28 174.714 174.395 0.319 1
1 263 . 8 1 1 A 29 29 LYS N N 29 118.993 120.554 -1.561 1
1 264 . 8 1 1 A 29 29 LYS H H 29 7.456 7.906 -0.450 1
1 265 . 8 1 1 A 29 29 LYS CA C 29 54.239 54.334 -0.095 1
1 266 . 8 1 1 A 29 29 LYS HA H 29 4.573 4.877 -0.304 1
1 267 . 8 1 1 A 29 29 LYS CB C 29 35.412 35.070 0.342 1
1 279 . 8 1 1 A 29 29 LYS C C 29 176.395 177.503 -1.108 1
1 280 . 8 1 1 A 30 30 SER CA C 30 60.921 61.627 -0.706 1
1 281 . 8 1 1 A 30 30 SER HA H 30 3.025 4.473 -1.448 1
1 282 . 8 1 1 A 30 30 SER CB C 30 61.703 62.864 -1.161 1
1 285 . 8 1 1 A 31 31 TYR CA C 31 60.807 61.560 -0.753 1
1 286 . 8 1 1 A 31 31 TYR HA H 31 4.101 4.167 -0.066 1
1 287 . 8 1 1 A 31 31 TYR CB C 31 38.408 38.359 0.049 1
1 298 . 8 1 1 A 31 31 TYR C C 31 176.455 178.032 -1.577 1
1 299 . 8 1 1 A 32 32 ASN N N 32 114.304 118.228 -3.924 1
1 300 . 8 1 1 A 32 32 ASN H H 32 6.481 8.459 -1.978 1
1 301 . 8 1 1 A 32 32 ASN CA C 32 55.198 56.528 -1.330 1
1 302 . 8 1 1 A 32 32 ASN HA H 32 4.283 4.650 -0.367 1
1 303 . 8 1 1 A 32 32 ASN CB C 32 37.912 39.596 -1.684 1
1 309 . 8 1 1 A 32 32 ASN C C 32 177.633 177.790 -0.157 1
1 310 . 8 1 1 A 33 33 LEU N N 33 121.854 120.678 1.176 1
1 311 . 8 1 1 A 33 33 LEU H H 33 7.002 7.629 -0.627 1
1 312 . 8 1 1 A 33 33 LEU CA C 33 57.820 57.898 -0.078 1
1 313 . 8 1 1 A 33 33 LEU HA H 33 2.922 3.051 -0.129 1
1 314 . 8 1 1 A 33 33 LEU CB C 33 40.350 41.703 -1.353 1
1 327 . 8 1 1 A 33 33 LEU C C 33 176.900 178.255 -1.355 1
1 328 . 8 1 1 A 34 34 LEU N N 34 120.140 116.968 3.172 1
1 329 . 8 1 1 A 34 34 LEU H H 34 7.795 7.443 0.352 1
1 330 . 8 1 1 A 34 34 LEU CA C 34 58.506 58.012 0.494 1
1 331 . 8 1 1 A 34 34 LEU HA H 34 3.933 3.923 0.010 1
1 332 . 8 1 1 A 34 34 LEU CB C 34 41.523 41.389 0.134 1
1 345 . 8 1 1 A 34 34 LEU C C 34 179.914 179.100 0.814 1
1 346 . 8 1 1 A 35 35 ILE N N 35 116.693 119.936 -3.243 1
1 347 . 8 1 1 A 35 35 ILE H H 35 7.368 7.846 -0.478 1
1 348 . 8 1 1 A 35 35 ILE CA C 35 63.641 64.957 -1.316 1
1 349 . 8 1 1 A 35 35 ILE HA H 35 3.533 3.806 -0.273 1
1 350 . 8 1 1 A 35 35 ILE CB C 35 37.380 37.716 -0.336 1
1 363 . 8 1 1 A 35 35 ILE C C 35 178.700 177.741 0.959 1
1 364 . 8 1 1 A 36 36 HIS N N 36 119.039 121.495 -2.456 1
1 365 . 8 1 1 A 36 36 HIS H H 36 7.424 8.066 -0.642 1
1 366 . 8 1 1 A 36 36 HIS CA C 36 59.486 58.529 0.957 1
1 367 . 8 1 1 A 36 36 HIS HA H 36 4.282 4.377 -0.095 1
1 368 . 8 1 1 A 36 36 HIS CB C 36 28.563 30.410 -1.847 1
1 375 . 8 1 1 A 36 36 HIS C C 36 178.907 177.213 1.694 1
1 376 . 8 1 1 A 37 37 GLU N N 37 122.627 118.843 3.784 1
1 377 . 8 1 1 A 37 37 GLU H H 37 9.459 8.925 0.534 1
1 378 . 8 1 1 A 37 37 GLU CA C 37 61.473 60.147 1.326 1
1 379 . 8 1 1 A 37 37 GLU HA H 37 3.922 3.858 0.064 1
1 380 . 8 1 1 A 37 37 GLU CB C 37 30.028 28.969 1.059 1
1 386 . 8 1 1 A 37 37 GLU C C 37 178.840 178.901 -0.061 1
1 387 . 8 1 1 A 38 38 ARG N N 38 116.143 118.443 -2.300 1
1 388 . 8 1 1 A 38 38 ARG H H 38 7.244 8.216 -0.972 1
1 389 . 8 1 1 A 38 38 ARG CA C 38 58.258 58.339 -0.081 1
1 390 . 8 1 1 A 38 38 ARG HA H 38 4.129 4.100 0.029 1
1 391 . 8 1 1 A 38 38 ARG CB C 38 30.054 29.387 0.667 1
1 400 . 8 1 1 A 38 38 ARG C C 38 177.863 178.121 -0.258 1
1 401 . 8 1 1 A 39 39 THR N N 39 109.313 114.665 -5.352 1
1 402 . 8 1 1 A 39 39 THR H H 39 7.639 7.674 -0.035 1
1 403 . 8 1 1 A 39 39 THR CA C 39 63.892 64.712 -0.820 1
1 404 . 8 1 1 A 39 39 THR HA H 39 4.075 3.923 0.152 1
1 405 . 8 1 1 A 39 39 THR CB C 39 69.337 68.773 0.564 1
1 411 . 8 1 1 A 39 39 THR C C 39 175.843 176.104 -0.261 1
1 412 . 8 1 1 A 40 40 HIS N N 40 119.019 117.834 1.185 1
1 413 . 8 1 1 A 40 40 HIS H H 40 7.046 7.321 -0.275 1
1 414 . 8 1 1 A 40 40 HIS CA C 40 55.942 59.316 -3.374 1
1 415 . 8 1 1 A 40 40 HIS HA H 40 4.410 4.043 0.367 1
1 416 . 8 1 1 A 40 40 HIS CB C 40 27.446 29.480 -2.034 1
1 423 . 8 1 1 A 40 40 HIS C C 40 175.528 175.410 0.118 1
1 424 . 8 1 1 A 41 41 THR N N 41 111.847 111.221 0.626 1
1 425 . 8 1 1 A 41 41 THR H H 41 7.579 6.898 0.681 1
1 426 . 8 1 1 A 41 41 THR CA C 41 62.200 62.604 -0.404 1
1 427 . 8 1 1 A 41 41 THR HA H 41 4.152 4.102 0.050 1
1 428 . 8 1 1 A 41 41 THR CB C 41 69.440 68.930 0.510 1
1 434 . 8 1 1 A 41 41 THR C C 41 174.484 174.416 0.068 1
1 435 . 8 1 1 A 42 42 ASP N N 42 122.207 125.219 -3.012 1
1 436 . 8 1 1 A 42 42 ASP H H 42 8.191 8.577 -0.386 1
1 437 . 8 1 1 A 42 42 ASP CA C 42 54.373 52.231 2.142 1
1 438 . 8 1 1 A 42 42 ASP HA H 42 4.524 5.119 -0.595 1
1 439 . 8 1 1 A 42 42 ASP CB C 42 41.045 45.161 -4.116 1
1 442 . 8 1 1 A 42 42 ASP C C 42 175.869 175.539 0.330 1
1 443 . 8 1 1 A 43 43 GLU N N 43 120.562 119.575 0.987 1
1 444 . 8 1 1 A 43 43 GLU H H 43 8.064 8.511 -0.447 1
1 445 . 8 1 1 A 43 43 GLU CA C 43 57.378 55.950 1.428 1
1 446 . 8 1 1 A 43 43 GLU HA H 43 4.098 4.456 -0.358 1
1 447 . 8 1 1 A 43 43 GLU CB C 43 30.262 30.776 -0.514 1
1 453 . 8 1 1 A 43 43 GLU C C 43 176.313 176.763 -0.450 1
1 454 . 8 1 1 A 44 44 ARG N N 44 120.015 121.786 -1.771 1
1 455 . 8 1 1 A 44 44 ARG H H 44 8.190 8.530 -0.340 1
1 456 . 8 1 1 A 44 44 ARG CA C 44 53.266 55.054 -1.788 1
1 457 . 8 1 1 A 44 44 ARG HA H 44 4.533 4.381 0.152 1
1 458 . 8 1 1 A 44 44 ARG CB C 44 30.702 30.608 0.094 1
1 467 . 8 1 1 A 44 44 ARG C C 44 173.360 176.608 -3.248 1
1 468 . 8 1 1 A 45 45 PRO CA C 45 63.459 64.429 -0.970 1
1 469 . 8 1 1 A 45 45 PRO HA H 45 4.298 4.514 -0.216 1
1 470 . 8 1 1 A 45 45 PRO CB C 45 32.219 31.633 0.586 1
1 479 . 8 1 1 A 45 45 PRO C C 45 176.492 176.119 0.373 1
1 480 . 8 1 1 A 46 46 TYR N N 46 119.184 118.032 1.152 1
1 481 . 8 1 1 A 46 46 TYR H H 46 7.840 8.233 -0.393 1
1 482 . 8 1 1 A 46 46 TYR CA C 46 57.533 56.916 0.617 1
1 483 . 8 1 1 A 46 46 TYR HA H 46 4.757 4.823 -0.066 1
1 484 . 8 1 1 A 46 46 TYR CB C 46 38.646 36.570 2.076 1
1 495 . 8 1 1 A 46 46 TYR C C 46 175.414 175.432 -0.018 1
1 496 . 8 1 1 A 47 47 THR N N 47 117.631 115.249 2.382 1
1 497 . 8 1 1 A 47 47 THR H H 47 8.607 7.747 0.860 1
1 498 . 8 1 1 A 47 47 THR CA C 47 60.593 62.898 -2.305 1
1 499 . 8 1 1 A 47 47 THR HA H 47 5.130 4.822 0.308 1
1 500 . 8 1 1 A 47 47 THR CB C 47 71.076 69.933 1.143 1
1 506 . 8 1 1 A 47 47 THR C C 47 173.697 174.689 -0.992 1
1 507 . 8 1 1 A 48 48 CYS N N 48 127.009 126.060 0.949 1
1 508 . 8 1 1 A 48 48 CYS H H 48 9.072 8.753 0.319 1
1 509 . 8 1 1 A 48 48 CYS CA C 48 60.153 58.952 1.201 1
1 510 . 8 1 1 A 48 48 CYS HA H 48 4.422 4.716 -0.294 1
1 511 . 8 1 1 A 48 48 CYS CB C 48 29.832 29.014 0.818 1
1 514 . 8 1 1 A 48 48 CYS C C 48 176.023 175.708 0.315 1
1 515 . 8 1 1 A 49 49 ASP N N 49 129.691 122.455 7.236 1
1 516 . 8 1 1 A 49 49 ASP H H 49 9.129 8.597 0.532 1
1 517 . 8 1 1 A 49 49 ASP CA C 49 55.499 54.077 1.422 1
1 518 . 8 1 1 A 49 49 ASP HA H 49 4.353 4.526 -0.173 1
1 519 . 8 1 1 A 49 49 ASP CB C 49 39.656 41.608 -1.952 1
1 522 . 8 1 1 A 49 49 ASP C C 49 175.094 176.495 -1.401 1
1 523 . 8 1 1 A 50 50 ILE N N 50 121.649 118.137 3.512 1
1 524 . 8 1 1 A 50 50 ILE H H 50 8.661 7.447 1.214 1
1 525 . 8 1 1 A 50 50 ILE CA C 50 62.888 62.671 0.217 1
1 526 . 8 1 1 A 50 50 ILE HA H 50 3.837 4.050 -0.213 1
1 527 . 8 1 1 A 50 50 ILE CB C 50 38.652 38.314 0.338 1
1 540 . 8 1 1 A 50 50 ILE C C 50 176.439 177.675 -1.236 1
1 541 . 8 1 1 A 51 51 CYS N N 51 116.341 117.446 -1.105 1
1 542 . 8 1 1 A 51 51 CYS H H 51 7.973 7.838 0.135 1
1 543 . 8 1 1 A 51 51 CYS CA C 51 58.192 60.059 -1.867 1
1 544 . 8 1 1 A 51 51 CYS HA H 51 4.922 4.489 0.433 1
1 545 . 8 1 1 A 51 51 CYS CB C 51 32.086 27.958 4.128 1
1 548 . 8 1 1 A 51 51 CYS C C 51 175.814 175.029 0.785 1
1 549 . 8 1 1 A 52 52 HIS N N 52 116.961 115.477 1.484 1
1 550 . 8 1 1 A 52 52 HIS H H 52 7.714 8.012 -0.298 1
1 551 . 8 1 1 A 52 52 HIS CA C 52 58.187 56.370 1.817 1
1 552 . 8 1 1 A 52 52 HIS HA H 52 4.521 4.218 0.303 1
1 553 . 8 1 1 A 52 52 HIS CB C 52 27.079 26.839 0.240 1
1 560 . 8 1 1 A 52 52 HIS C C 52 174.215 174.546 -0.331 1
1 561 . 8 1 1 A 53 53 LYS N N 53 122.651 118.317 4.334 1
1 562 . 8 1 1 A 53 53 LYS H H 53 7.902 8.189 -0.287 1
1 563 . 8 1 1 A 53 53 LYS CA C 53 58.205 55.305 2.900 1
1 564 . 8 1 1 A 53 53 LYS HA H 53 4.051 4.364 -0.313 1
1 565 . 8 1 1 A 53 53 LYS CB C 53 33.868 33.766 0.102 1
1 577 . 8 1 1 A 53 53 LYS C C 53 173.816 175.592 -1.776 1
1 578 . 8 1 1 A 54 54 ALA N N 54 124.589 120.894 3.695 1
1 579 . 8 1 1 A 54 54 ALA H H 54 7.885 8.277 -0.392 1
1 580 . 8 1 1 A 54 54 ALA CA C 54 50.573 50.040 0.533 1
1 581 . 8 1 1 A 54 54 ALA HA H 54 5.098 5.491 -0.393 1
1 582 . 8 1 1 A 54 54 ALA CB C 54 22.290 21.995 0.295 1
1 586 . 8 1 1 A 54 54 ALA C C 54 176.763 175.757 1.006 1
1 587 . 8 1 1 A 55 55 PHE N N 55 117.946 119.165 -1.219 1
1 588 . 8 1 1 A 55 55 PHE H H 55 9.044 8.894 0.150 1
1 589 . 8 1 1 A 55 55 PHE CA C 55 57.320 56.416 0.904 1
1 590 . 8 1 1 A 55 55 PHE HA H 55 4.724 4.842 -0.118 1
1 591 . 8 1 1 A 55 55 PHE CB C 55 43.710 43.700 0.010 1
1 604 . 8 1 1 A 55 55 PHE C C 55 175.251 175.437 -0.186 1
1 605 . 8 1 1 A 56 56 ARG N N 56 119.843 121.583 -1.740 1
1 606 . 8 1 1 A 56 56 ARG H H 56 9.587 8.798 0.789 1
1 607 . 8 1 1 A 56 56 ARG CA C 56 58.117 57.806 0.311 1
1 608 . 8 1 1 A 56 56 ARG HA H 56 4.603 4.104 0.499 1
1 609 . 8 1 1 A 56 56 ARG CB C 56 31.741 30.987 0.754 1
1 618 . 8 1 1 A 56 56 ARG C C 56 176.201 176.306 -0.105 1
1 619 . 8 1 1 A 57 57 ARG N N 57 113.134 117.783 -4.649 1
1 620 . 8 1 1 A 57 57 ARG H H 57 7.273 7.851 -0.578 1
1 621 . 8 1 1 A 57 57 ARG CA C 57 53.978 55.289 -1.311 1
1 622 . 8 1 1 A 57 57 ARG HA H 57 4.650 4.453 0.197 1
1 623 . 8 1 1 A 57 57 ARG CB C 57 34.701 31.396 3.305 1
1 632 . 8 1 1 A 57 57 ARG C C 57 176.296 177.399 -1.103 1
1 633 . 8 1 1 A 58 58 GLN N N 58 124.070 121.805 2.265 1
1 634 . 8 1 1 A 58 58 GLN H H 58 8.583 8.814 -0.231 1
1 635 . 8 1 1 A 58 58 GLN CA C 58 59.036 58.964 0.072 1
1 636 . 8 1 1 A 58 58 GLN HA H 58 3.004 4.202 -1.198 1
1 637 . 8 1 1 A 58 58 GLN CB C 58 28.229 28.736 -0.507 1
1 646 . 8 1 1 A 58 58 GLN C C 58 177.925 177.859 0.066 1
1 647 . 8 1 1 A 59 59 ASP CA C 59 56.406 57.163 -0.757 1
1 648 . 8 1 1 A 59 59 ASP HA H 59 4.046 4.280 -0.234 1
1 649 . 8 1 1 A 59 59 ASP CB C 59 38.248 40.526 -2.278 1
1 652 . 8 1 1 A 59 59 ASP C C 59 177.698 178.474 -0.776 1
1 653 . 8 1 1 A 60 60 HIS N N 60 119.173 118.361 0.812 1
1 654 . 8 1 1 A 60 60 HIS H H 60 6.954 7.859 -0.905 1
1 655 . 8 1 1 A 60 60 HIS CA C 60 56.843 59.228 -2.385 1
1 656 . 8 1 1 A 60 60 HIS HA H 60 4.432 4.505 -0.073 1
1 657 . 8 1 1 A 60 60 HIS CB C 60 31.752 30.061 1.691 1
1 664 . 8 1 1 A 60 60 HIS C C 60 178.617 177.928 0.689 1
1 665 . 8 1 1 A 61 61 LEU N N 61 120.844 120.319 0.525 1
1 666 . 8 1 1 A 61 61 LEU H H 61 6.979 8.192 -1.213 1
1 667 . 8 1 1 A 61 61 LEU CA C 61 57.728 57.464 0.264 1
1 668 . 8 1 1 A 61 61 LEU HA H 61 3.145 3.021 0.124 1
1 669 . 8 1 1 A 61 61 LEU CB C 61 40.153 41.311 -1.158 1
1 682 . 8 1 1 A 61 61 LEU C C 61 176.855 178.560 -1.705 1
1 683 . 8 1 1 A 62 62 ARG N N 62 120.225 119.394 0.831 1
1 684 . 8 1 1 A 62 62 ARG H H 62 8.012 8.608 -0.596 1
1 685 . 8 1 1 A 62 62 ARG CA C 62 59.526 59.734 -0.208 1
1 686 . 8 1 1 A 62 62 ARG HA H 62 3.724 3.939 -0.215 1
1 687 . 8 1 1 A 62 62 ARG CB C 62 29.388 30.245 -0.857 1
1 696 . 8 1 1 A 62 62 ARG C C 62 178.582 178.648 -0.066 1
1 697 . 8 1 1 A 63 63 ASP N N 63 117.219 118.726 -1.507 1
1 698 . 8 1 1 A 63 63 ASP H H 63 7.823 8.683 -0.860 1
1 699 . 8 1 1 A 63 63 ASP CA C 63 56.694 56.884 -0.190 1
1 700 . 8 1 1 A 63 63 ASP HA H 63 4.401 4.370 0.031 1
1 701 . 8 1 1 A 63 63 ASP CB C 63 40.226 39.782 0.444 1
1 704 . 8 1 1 A 63 63 ASP C C 63 178.560 178.450 0.110 1
1 705 . 8 1 1 A 64 64 HIS N N 64 119.185 119.724 -0.539 1
1 706 . 8 1 1 A 64 64 HIS H H 64 7.606 8.325 -0.719 1
1 707 . 8 1 1 A 64 64 HIS CA C 64 58.772 60.075 -1.303 1
1 708 . 8 1 1 A 64 64 HIS HA H 64 4.211 4.215 -0.004 1
1 709 . 8 1 1 A 64 64 HIS CB C 64 28.533 29.484 -0.951 1
1 716 . 8 1 1 A 64 64 HIS C C 64 176.334 177.337 -1.003 1
1 717 . 8 1 1 A 65 65 ARG N N 65 116.490 118.824 -2.334 1
1 718 . 8 1 1 A 65 65 ARG H H 65 8.157 7.939 0.218 1
1 719 . 8 1 1 A 65 65 ARG CA C 65 59.666 58.893 0.773 1
1 720 . 8 1 1 A 65 65 ARG HA H 65 3.576 3.820 -0.244 1
1 721 . 8 1 1 A 65 65 ARG CB C 65 29.958 29.948 0.010 1
1 730 . 8 1 1 A 65 65 ARG C C 65 178.301 178.341 -0.040 1
1 731 . 8 1 1 A 66 66 TYR N N 66 117.286 120.118 -2.832 1
1 732 . 8 1 1 A 66 66 TYR H H 66 7.169 8.078 -0.909 1
1 733 . 8 1 1 A 66 66 TYR CA C 66 60.186 60.810 -0.624 1
1 734 . 8 1 1 A 66 66 TYR HA H 66 4.339 4.011 0.328 1
1 735 . 8 1 1 A 66 66 TYR CB C 66 37.960 38.878 -0.918 1
1 746 . 8 1 1 A 66 66 TYR C C 66 178.191 177.797 0.394 1
1 747 . 8 1 1 A 67 67 ILE N N 67 117.609 113.606 4.003 1
1 748 . 8 1 1 A 67 67 ILE H H 67 7.883 7.860 0.023 1
1 749 . 8 1 1 A 67 67 ILE CA C 67 63.440 63.466 -0.026 1
1 750 . 8 1 1 A 67 67 ILE HA H 67 3.836 3.784 0.052 1
1 751 . 8 1 1 A 67 67 ILE CB C 67 37.482 37.049 0.433 1
1 764 . 8 1 1 A 67 67 ILE C C 67 177.511 176.214 1.297 1
1 765 . 8 1 1 A 68 68 HIS N N 68 116.764 121.342 -4.578 1
1 766 . 8 1 1 A 68 68 HIS H H 68 7.140 7.665 -0.525 1
1 767 . 8 1 1 A 68 68 HIS CA C 68 55.340 55.456 -0.116 1
1 768 . 8 1 1 A 68 68 HIS HA H 68 4.768 4.769 -0.001 1
1 769 . 8 1 1 A 68 68 HIS CB C 68 28.687 30.820 -2.133 1
1 776 . 8 1 1 A 68 68 HIS C C 68 175.627 175.221 0.406 1
1 777 . 8 1 1 A 69 69 SER N N 69 114.870 119.259 -4.389 1
1 778 . 8 1 1 A 69 69 SER H H 69 7.731 8.841 -1.110 1
1 779 . 8 1 1 A 69 69 SER CA C 69 59.200 58.738 0.462 1
1 780 . 8 1 1 A 69 69 SER HA H 69 4.379 4.504 -0.125 1
1 781 . 8 1 1 A 69 69 SER CB C 69 63.765 63.802 -0.037 1
1 784 . 8 1 1 A 69 69 SER C C 69 174.692 173.971 0.721 1
1 785 . 8 1 1 A 70 70 LYS N N 70 121.978 125.257 -3.279 1
1 786 . 8 1 1 A 70 70 LYS H H 70 8.063 8.465 -0.402 1
1 787 . 8 1 1 A 70 70 LYS CA C 70 56.825 55.316 1.509 1
1 788 . 8 1 1 A 70 70 LYS HA H 70 4.214 4.642 -0.428 1
1 789 . 8 1 1 A 70 70 LYS CB C 70 32.539 32.421 0.118 1
1 801 . 8 1 1 A 70 70 LYS C C 70 176.806 175.261 1.545 1
1 802 . 8 1 1 A 71 71 GLU N N 71 120.177 123.309 -3.132 1
1 803 . 8 1 1 A 71 71 GLU H H 71 8.008 9.065 -1.057 1
1 804 . 8 1 1 A 71 71 GLU CA C 71 56.472 54.726 1.746 1
1 805 . 8 1 1 A 71 71 GLU HA H 71 4.191 4.959 -0.768 1
1 806 . 8 1 1 A 71 71 GLU CB C 71 29.335 33.146 -3.811 1
1 811 . 8 1 1 A 71 71 GLU C C 71 176.040 175.480 0.560 1
1 812 . 8 1 1 A 72 72 LYS N N 72 121.800 121.878 -0.078 1
1 813 . 8 1 1 A 72 72 LYS H H 72 8.277 8.553 -0.276 1
1 814 . 8 1 1 A 72 72 LYS CA C 72 53.820 52.795 1.025 1
1 815 . 8 1 1 A 72 72 LYS HA H 72 4.391 4.960 -0.569 1
1 816 . 8 1 1 A 72 72 LYS CB C 72 32.139 33.041 -0.902 1
1 828 . 8 1 1 A 72 72 LYS C C 72 174.768 175.795 -1.027 1
1 829 . 8 1 1 A 73 73 PRO CA C 73 63.978 64.725 -0.747 1
1 830 . 8 1 1 A 73 73 PRO HA H 73 4.144 4.409 -0.265 1
1 831 . 8 1 1 A 73 73 PRO CB C 73 31.953 32.008 -0.055 1
1 840 . 8 1 1 A 73 73 PRO C C 73 176.402 177.313 -0.911 1
1 841 . 8 1 1 A 74 74 PHE N N 74 117.425 118.519 -1.094 1
1 842 . 8 1 1 A 74 74 PHE H H 74 7.686 8.110 -0.424 1
1 843 . 8 1 1 A 74 74 PHE CA C 74 57.020 61.688 -4.668 1
1 844 . 8 1 1 A 74 74 PHE HA H 74 4.691 4.123 0.568 1
1 845 . 8 1 1 A 74 74 PHE CB C 74 39.403 39.781 -0.378 1
1 856 . 8 1 1 A 74 74 PHE C C 74 174.442 175.303 -0.861 1
1 857 . 8 1 1 A 75 75 LYS N N 75 123.931 118.197 5.734 1
1 858 . 8 1 1 A 75 75 LYS H H 75 8.590 7.794 0.796 1
1 859 . 8 1 1 A 75 75 LYS CA C 75 54.951 54.994 -0.043 1
1 860 . 8 1 1 A 75 75 LYS HA H 75 5.021 4.783 0.238 1
1 861 . 8 1 1 A 75 75 LYS CB C 75 35.286 35.315 -0.029 1
1 873 . 8 1 1 A 75 75 LYS C C 75 175.465 174.877 0.588 1
1 874 . 8 1 1 A 76 76 CYS N N 76 126.279 125.309 0.970 1
1 875 . 8 1 1 A 76 76 CYS H H 76 9.149 8.982 0.167 1
1 876 . 8 1 1 A 76 76 CYS CA C 76 59.553 59.669 -0.116 1
1 877 . 8 1 1 A 76 76 CYS HA H 76 4.462 4.560 -0.098 1
1 878 . 8 1 1 A 76 76 CYS CB C 76 29.772 28.692 1.080 1
1 881 . 8 1 1 A 76 76 CYS C C 76 177.367 176.207 1.160 1
1 882 . 8 1 1 A 77 77 GLN CA C 77 58.117 57.561 0.556 1
1 883 . 8 1 1 A 77 77 GLN HA H 77 4.130 4.320 -0.190 1
1 884 . 8 1 1 A 77 77 GLN CB C 77 28.479 29.775 -1.296 1
1 893 . 8 1 1 A 77 77 GLN C C 77 176.283 178.149 -1.866 1
1 894 . 8 1 1 A 78 78 GLU N N 78 120.320 119.700 0.620 1
1 895 . 8 1 1 A 78 78 GLU H H 78 8.682 8.029 0.653 1
1 896 . 8 1 1 A 78 78 GLU CA C 78 58.540 59.048 -0.508 1
1 897 . 8 1 1 A 78 78 GLU HA H 78 4.165 4.001 0.164 1
1 898 . 8 1 1 A 78 78 GLU CB C 78 29.469 28.754 0.715 1
1 904 . 8 1 1 A 78 78 GLU C C 78 177.275 178.149 -0.874 1
1 905 . 8 1 1 A 79 79 CYS N N 79 114.728 114.645 0.083 1
1 906 . 8 1 1 A 79 79 CYS H H 79 8.018 7.458 0.560 1
1 907 . 8 1 1 A 79 79 CYS CA C 79 58.271 59.713 -1.442 1
1 908 . 8 1 1 A 79 79 CYS HA H 79 5.142 4.616 0.526 1
1 909 . 8 1 1 A 79 79 CYS CB C 79 32.339 29.714 2.625 1
1 912 . 8 1 1 A 79 79 CYS C C 79 176.280 175.549 0.731 1
1 913 . 8 1 1 A 80 80 GLY N N 80 113.675 110.927 2.748 1
1 914 . 8 1 1 A 80 80 GLY H H 80 8.133 8.209 -0.076 1
1 915 . 8 1 1 A 80 80 GLY CA C 80 46.206 46.603 -0.397 1
1 916 . 8 1 1 A 80 80 GLY HA2 H 80 4.213 3.903 0.310 1
1 917 . 8 1 1 A 80 80 GLY HA3 H 80 3.755 3.905 -0.150 1
1 918 . 8 1 1 A 80 80 GLY C C 80 173.619 174.817 -1.198 1
1 919 . 8 1 1 A 81 81 LYS N N 81 122.811 119.341 3.470 1
1 920 . 8 1 1 A 81 81 LYS H H 81 7.945 7.798 0.147 1
1 921 . 8 1 1 A 81 81 LYS CA C 81 58.211 55.064 3.147 1
1 922 . 8 1 1 A 81 81 LYS HA H 81 3.947 4.142 -0.195 1
1 923 . 8 1 1 A 81 81 LYS CB C 81 33.921 33.115 0.806 1
1 935 . 8 1 1 A 81 81 LYS C C 81 174.639 176.427 -1.788 1
1 936 . 8 1 1 A 82 82 GLY N N 82 108.366 110.092 -1.726 1
1 937 . 8 1 1 A 82 82 GLY H H 82 7.936 8.310 -0.374 1
1 938 . 8 1 1 A 82 82 GLY CA C 82 44.048 46.265 -2.217 1
1 939 . 8 1 1 A 82 82 GLY HA2 H 82 4.847 3.761 1.086 1
1 940 . 8 1 1 A 82 82 GLY HA3 H 82 3.291 3.814 -0.523 1
1 941 . 8 1 1 A 82 82 GLY C C 82 172.166 173.780 -1.614 1
1 942 . 8 1 1 A 83 83 PHE N N 83 117.822 121.331 -3.509 1
1 943 . 8 1 1 A 83 83 PHE H H 83 8.697 6.970 1.727 1
1 944 . 8 1 1 A 83 83 PHE CA C 83 57.338 58.210 -0.872 1
1 945 . 8 1 1 A 83 83 PHE HA H 83 4.755 4.420 0.335 1
1 946 . 8 1 1 A 83 83 PHE CB C 83 43.462 39.721 3.741 1
1 959 . 8 1 1 A 83 83 PHE C C 83 175.424 176.134 -0.710 1
1 960 . 8 1 1 A 84 84 CYS CA C 84 60.706 59.695 1.011 1
1 961 . 8 1 1 A 84 84 CYS HA H 84 4.608 4.541 0.067 1
1 962 . 8 1 1 A 84 84 CYS CB C 84 28.990 29.276 -0.286 1
1 965 . 8 1 1 A 84 84 CYS C C 84 174.163 174.947 -0.784 1
1 966 . 8 1 1 A 85 85 GLN N N 85 114.620 120.670 -6.050 1
1 967 . 8 1 1 A 85 85 GLN H H 85 7.326 7.835 -0.509 1
1 968 . 8 1 1 A 85 85 GLN CA C 85 54.098 54.865 -0.767 1
1 969 . 8 1 1 A 85 85 GLN HA H 85 4.648 4.608 0.040 1
1 970 . 8 1 1 A 85 85 GLN CB C 85 32.066 29.640 2.426 1
1 979 . 8 1 1 A 85 85 GLN C C 85 175.230 176.566 -1.336 1
1 980 . 8 1 1 A 86 86 SER CA C 86 61.164 57.706 3.458 1
1 981 . 8 1 1 A 86 86 SER HA H 86 3.078 4.737 -1.659 1
1 982 . 8 1 1 A 86 86 SER CB C 86 61.738 63.174 -1.436 1
1 985 . 8 1 1 A 87 87 ARG CA C 87 58.886 56.848 2.038 1
1 986 . 8 1 1 A 87 87 ARG HA H 87 4.049 4.458 -0.409 1
1 987 . 8 1 1 A 87 87 ARG CB C 87 29.519 32.109 -2.590 1
1 996 . 8 1 1 A 87 87 ARG C C 87 177.520 177.284 0.236 1
1 997 . 8 1 1 A 88 88 THR N N 88 112.500 114.558 -2.058 1
1 998 . 8 1 1 A 88 88 THR H H 88 6.796 8.004 -1.208 1
1 999 . 8 1 1 A 88 88 THR CA C 88 64.598 65.552 -0.954 1
1 1000 . 8 1 1 A 88 88 THR HA H 88 3.844 3.971 -0.127 1
1 1001 . 8 1 1 A 88 88 THR CB C 88 67.809 68.653 -0.844 1
1 1007 . 8 1 1 A 88 88 THR C C 88 177.343 176.473 0.870 1
1 1008 . 8 1 1 A 89 89 LEU N N 89 123.163 122.385 0.778 1
1 1009 . 8 1 1 A 89 89 LEU H H 89 6.898 7.903 -1.005 1
1 1010 . 8 1 1 A 89 89 LEU CA C 89 57.692 57.622 0.070 1
1 1011 . 8 1 1 A 89 89 LEU HA H 89 3.147 3.600 -0.453 1
1 1012 . 8 1 1 A 89 89 LEU CB C 89 40.133 41.281 -1.148 1
1 1025 . 8 1 1 A 89 89 LEU C C 89 176.886 178.279 -1.393 1
1 1026 . 8 1 1 A 90 90 ALA N N 90 120.747 120.817 -0.070 1
1 1027 . 8 1 1 A 90 90 ALA H H 90 7.837 8.246 -0.409 1
1 1028 . 8 1 1 A 90 90 ALA CA C 90 55.646 55.458 0.188 1
1 1029 . 8 1 1 A 90 90 ALA HA H 90 3.914 4.043 -0.129 1
1 1030 . 8 1 1 A 90 90 ALA CB C 90 17.722 18.589 -0.867 1
1 1034 . 8 1 1 A 90 90 ALA C C 90 180.692 179.596 1.096 1
1 1035 . 8 1 1 A 91 91 VAL N N 91 117.181 118.300 -1.119 1
1 1036 . 8 1 1 A 91 91 VAL H H 91 7.475 7.742 -0.267 1
1 1037 . 8 1 1 A 91 91 VAL CA C 91 65.880 66.432 -0.552 1
1 1038 . 8 1 1 A 91 91 VAL HA H 91 3.662 3.692 -0.030 1
1 1039 . 8 1 1 A 91 91 VAL CB C 91 32.018 31.686 0.332 1
1 1049 . 8 1 1 A 91 91 VAL C C 91 178.708 177.960 0.748 1
1 1050 . 8 1 1 A 92 92 HIS N N 92 121.501 119.573 1.928 1
1 1051 . 8 1 1 A 92 92 HIS H H 92 7.625 8.437 -0.812 1
1 1052 . 8 1 1 A 92 92 HIS CA C 92 59.553 59.860 -0.307 1
1 1053 . 8 1 1 A 92 92 HIS HA H 92 4.095 4.017 0.078 1
1 1054 . 8 1 1 A 92 92 HIS CB C 92 28.040 30.052 -2.012 1
1 1061 . 8 1 1 A 92 92 HIS C C 92 176.518 176.514 0.004 1
1 1062 . 8 1 1 A 93 93 LYS N N 93 116.162 117.640 -1.478 1
1 1063 . 8 1 1 A 93 93 LYS H H 93 8.372 7.839 0.533 1
1 1064 . 8 1 1 A 93 93 LYS CA C 93 60.253 59.209 1.044 1
1 1065 . 8 1 1 A 93 93 LYS HA H 93 3.732 3.858 -0.126 1
1 1066 . 8 1 1 A 93 93 LYS CB C 93 32.158 32.321 -0.163 1
1 1078 . 8 1 1 A 93 93 LYS C C 93 179.211 178.851 0.360 1
1 1079 . 8 1 1 A 94 94 THR N N 94 111.607 113.881 -2.274 1
1 1080 . 8 1 1 A 94 94 THR H H 94 7.434 8.345 -0.911 1
1 1081 . 8 1 1 A 94 94 THR CA C 94 65.106 65.474 -0.368 1
1 1082 . 8 1 1 A 94 94 THR HA H 94 4.034 4.092 -0.058 1
1 1083 . 8 1 1 A 94 94 THR CB C 94 69.075 68.540 0.535 1
1 1089 . 8 1 1 A 94 94 THR C C 94 176.406 176.852 -0.446 1
1 1090 . 8 1 1 A 95 95 LEU N N 95 121.689 122.910 -1.221 1
1 1091 . 8 1 1 A 95 95 LEU H H 95 7.725 8.128 -0.403 1
1 1092 . 8 1 1 A 95 95 LEU CA C 95 56.680 57.431 -0.751 1
1 1093 . 8 1 1 A 95 95 LEU HA H 95 4.020 3.937 0.083 1
1 1094 . 8 1 1 A 95 95 LEU CB C 95 41.186 41.578 -0.392 1
1 1107 . 8 1 1 A 95 95 LEU C C 95 178.956 177.836 1.120 1
1 1108 . 8 1 1 A 96 96 HIS N N 96 114.750 114.296 0.454 1
1 1109 . 8 1 1 A 96 96 HIS H H 96 7.160 7.071 0.089 1
1 1110 . 8 1 1 A 96 96 HIS CA C 96 55.206 55.477 -0.271 1
1 1111 . 8 1 1 A 96 96 HIS HA H 96 4.730 4.642 0.088 1
1 1112 . 8 1 1 A 96 96 HIS CB C 96 28.687 28.911 -0.224 1
1 1119 . 8 1 1 A 96 96 HIS C C 96 175.230 174.416 0.814 1
1 1120 . 8 1 1 A 97 97 MET N N 97 118.984 117.607 1.377 1
1 1121 . 8 1 1 A 97 97 MET H H 97 7.626 7.646 -0.020 1
1 1122 . 8 1 1 A 97 97 MET CA C 97 55.995 54.757 1.238 1
1 1123 . 8 1 1 A 97 97 MET HA H 97 4.424 5.106 -0.682 1
1 1124 . 8 1 1 A 97 97 MET CB C 97 33.065 36.495 -3.430 1
1 1134 . 8 1 1 A 97 97 MET C C 97 176.174 174.434 1.740 1
1 1135 . 8 1 1 A 98 98 GLN N N 98 120.828 123.927 -3.099 1
1 1136 . 8 1 1 A 98 98 GLN H H 98 8.271 8.841 -0.570 1
1 1137 . 8 1 1 A 98 98 GLN CA C 98 55.951 54.642 1.309 1
1 1138 . 8 1 1 A 98 98 GLN HA H 98 4.382 5.202 -0.820 1
1 1139 . 8 1 1 A 98 98 GLN CB C 98 29.364 32.538 -3.174 1
1 1148 . 8 1 1 A 98 98 GLN C C 98 176.242 174.259 1.983 1
1 1149 . 8 1 1 A 99 99 THR N N 99 114.965 120.425 -5.460 1
1 1150 . 8 1 1 A 99 99 THR H H 99 8.200 8.850 -0.650 1
1 1151 . 8 1 1 A 99 99 THR CA C 99 61.773 61.355 0.418 1
1 1152 . 8 1 1 A 99 99 THR HA H 99 4.374 4.773 -0.399 1
1 1153 . 8 1 1 A 99 99 THR CB C 99 69.654 71.988 -2.334 1
1 1159 . 8 1 1 A 99 99 THR C C 99 174.491 173.632 0.859 1
1 1160 . 8 1 1 A 100 100 SER N N 100 118.047 122.447 -4.400 1
1 1161 . 8 1 1 A 100 100 SER H H 100 8.311 8.885 -0.574 1
1 1162 . 8 1 1 A 100 100 SER CA C 100 58.240 58.773 -0.533 1
1 1163 . 8 1 1 A 100 100 SER HA H 100 4.493 4.291 0.202 1
1 1164 . 8 1 1 A 100 100 SER CB C 100 63.843 63.340 0.503 1
1 1167 . 8 1 1 A 100 100 SER C C 100 174.152 174.178 -0.026 1
1 1168 . 8 1 1 A 101 101 SER N N 101 118.812 120.183 -1.371 1
1 1169 . 8 1 1 A 101 101 SER H H 101 8.358 8.740 -0.382 1
1 1170 . 8 1 1 A 101 101 SER CA C 101 56.348 55.671 0.677 1
1 1171 . 8 1 1 A 101 101 SER HA H 101 4.773 5.003 -0.230 1
1 1172 . 8 1 1 A 101 101 SER CB C 101 63.554 63.783 -0.229 1
1 1175 . 8 1 1 A 101 101 SER C C 101 172.898 173.135 -0.237 1
1 1176 . 8 1 1 A 102 102 PRO CA C 102 63.453 62.393 1.060 1
1 1177 . 8 1 1 A 102 102 PRO HA H 102 4.485 4.554 -0.069 1
1 1178 . 8 1 1 A 102 102 PRO CB C 102 32.126 33.393 -1.267 1
1 1187 . 8 1 1 A 102 102 PRO C C 102 177.181 176.501 0.680 1
1 1188 . 8 1 1 A 103 103 THR N N 103 114.257 114.032 0.225 1
1 1189 . 8 1 1 A 103 103 THR H H 103 8.188 8.675 -0.487 1
1 1190 . 8 1 1 A 103 103 THR CA C 103 61.748 64.663 -2.915 1
1 1191 . 8 1 1 A 103 103 THR HA H 103 4.273 4.218 0.055 1
1 1192 . 8 1 1 A 103 103 THR CB C 103 69.833 69.134 0.699 1
1 1198 . 8 1 1 A 103 103 THR C C 103 174.258 175.397 -1.139 1
1 1199 . 8 1 1 A 104 104 ALA N N 104 126.872 123.519 3.353 1
1 1200 . 8 1 1 A 104 104 ALA H H 104 8.240 7.555 0.685 1
1 1201 . 8 1 1 A 104 104 ALA CA C 104 52.369 53.132 -0.763 1
1 1202 . 8 1 1 A 104 104 ALA HA H 104 4.316 4.218 0.098 1
1 1203 . 8 1 1 A 104 104 ALA CB C 104 19.417 19.085 0.332 1
1 1207 . 8 1 1 A 104 104 ALA C C 104 177.129 177.397 -0.268 1
1 1208 . 8 1 1 A 105 105 ALA N N 105 124.353 123.591 0.762 1
1 1209 . 8 1 1 A 105 105 ALA H H 105 8.312 8.673 -0.361 1
1 1210 . 8 1 1 A 105 105 ALA CA C 105 52.408 51.480 0.928 1
1 1211 . 8 1 1 A 105 105 ALA HA H 105 4.327 5.109 -0.782 1
1 1212 . 8 1 1 A 105 105 ALA CB C 105 19.416 21.666 -2.250 1
1 1216 . 8 1 1 A 105 105 ALA C C 105 176.902 175.683 1.219 1
1 1 . 9 1 1 A 8 8 GLY CA C 8 45.171 45.431 -0.260 1
1 2 . 9 1 1 A 8 8 GLY HA2 H 8 3.976 4.134 -0.158 1
1 3 . 9 1 1 A 8 8 GLY HA3 H 8 3.976 4.134 -0.158 1
1 4 . 9 1 1 A 8 8 GLY C C 8 173.956 171.753 2.203 1
1 5 . 9 1 1 A 9 9 ARG N N 9 120.445 118.754 1.691 1
1 6 . 9 1 1 A 9 9 ARG H H 9 8.126 8.669 -0.543 1
1 7 . 9 1 1 A 9 9 ARG CA C 9 55.873 54.791 1.082 1
1 8 . 9 1 1 A 9 9 ARG HA H 9 4.318 5.138 -0.820 1
1 9 . 9 1 1 A 9 9 ARG CB C 9 30.899 34.290 -3.391 1
1 18 . 9 1 1 A 9 9 ARG C C 9 176.192 174.073 2.119 1
1 19 . 9 1 1 A 10 10 LEU N N 10 125.156 122.846 2.310 1
1 20 . 9 1 1 A 10 10 LEU H H 10 8.357 8.662 -0.305 1
1 21 . 9 1 1 A 10 10 LEU CA C 10 53.058 51.320 1.738 1
1 22 . 9 1 1 A 10 10 LEU HA H 10 4.589 4.909 -0.320 1
1 23 . 9 1 1 A 10 10 LEU CB C 10 41.599 45.504 -3.905 1
1 36 . 9 1 1 A 10 10 LEU C C 10 175.327 174.879 0.448 1
1 37 . 9 1 1 A 11 11 PRO CA C 11 63.064 62.288 0.776 1
1 38 . 9 1 1 A 11 11 PRO HA H 11 4.416 4.595 -0.179 1
1 39 . 9 1 1 A 11 11 PRO CB C 11 32.095 32.530 -0.435 1
1 48 . 9 1 1 A 13 13 LYS CA C 13 56.353 54.029 2.324 1
1 49 . 9 1 1 A 13 13 LYS HA H 13 4.383 5.389 -1.006 1
1 50 . 9 1 1 A 13 13 LYS CB C 13 33.019 37.141 -4.122 1
1 62 . 9 1 1 A 13 13 LYS C C 13 176.694 175.174 1.520 1
1 63 . 9 1 1 A 14 14 THR N N 14 115.691 114.114 1.577 1
1 64 . 9 1 1 A 14 14 THR H H 14 8.140 8.800 -0.660 1
1 65 . 9 1 1 A 14 14 THR CA C 14 61.919 61.282 0.637 1
1 66 . 9 1 1 A 14 14 THR HA H 14 4.265 4.857 -0.592 1
1 67 . 9 1 1 A 14 14 THR CB C 14 69.860 71.578 -1.718 1
1 73 . 9 1 1 A 14 14 THR C C 14 174.261 172.441 1.820 1
1 74 . 9 1 1 A 15 15 LYS N N 15 124.645 129.070 -4.425 1
1 75 . 9 1 1 A 15 15 LYS H H 15 8.323 9.185 -0.862 1
1 76 . 9 1 1 A 15 15 LYS CA C 15 56.226 54.763 1.463 1
1 77 . 9 1 1 A 15 15 LYS HA H 15 4.278 5.110 -0.832 1
1 78 . 9 1 1 A 15 15 LYS CB C 15 33.220 35.275 -2.055 1
1 90 . 9 1 1 A 15 15 LYS C C 15 175.921 174.765 1.156 1
1 91 . 9 1 1 A 16 16 LYS N N 16 123.830 127.704 -3.874 1
1 92 . 9 1 1 A 16 16 LYS H H 16 8.332 8.646 -0.314 1
1 93 . 9 1 1 A 16 16 LYS CA C 16 55.966 54.880 1.086 1
1 94 . 9 1 1 A 16 16 LYS HA H 16 4.192 5.230 -1.038 1
1 95 . 9 1 1 A 16 16 LYS CB C 16 33.028 36.281 -3.253 1
1 107 . 9 1 1 A 16 16 LYS C C 16 175.334 174.561 0.773 1
1 108 . 9 1 1 A 17 17 GLU N N 17 121.077 123.229 -2.152 1
1 109 . 9 1 1 A 17 17 GLU H H 17 7.931 8.766 -0.835 1
1 110 . 9 1 1 A 17 17 GLU CA C 17 55.463 54.604 0.859 1
1 111 . 9 1 1 A 17 17 GLU HA H 17 4.300 4.722 -0.422 1
1 112 . 9 1 1 A 17 17 GLU CB C 17 31.984 33.594 -1.610 1
1 118 . 9 1 1 A 17 17 GLU C C 17 174.646 173.705 0.941 1
1 119 . 9 1 1 A 18 18 PHE N N 18 121.605 117.075 4.530 1
1 120 . 9 1 1 A 18 18 PHE H H 18 8.560 8.298 0.262 1
1 121 . 9 1 1 A 18 18 PHE CA C 18 56.963 56.530 0.433 1
1 122 . 9 1 1 A 18 18 PHE HA H 18 4.675 5.190 -0.515 1
1 123 . 9 1 1 A 18 18 PHE CB C 18 39.653 43.190 -3.537 1
1 134 . 9 1 1 A 18 18 PHE C C 18 173.933 175.480 -1.547 1
1 135 . 9 1 1 A 19 19 ILE N N 19 123.977 120.196 3.781 1
1 136 . 9 1 1 A 19 19 ILE H H 19 8.425 8.975 -0.550 1
1 137 . 9 1 1 A 19 19 ILE CA C 19 59.740 59.545 0.195 1
1 138 . 9 1 1 A 19 19 ILE HA H 19 4.654 5.178 -0.524 1
1 139 . 9 1 1 A 19 19 ILE CB C 19 41.000 41.492 -0.492 1
1 152 . 9 1 1 A 19 19 ILE C C 19 175.584 175.070 0.514 1
1 153 . 9 1 1 A 20 20 CYS N N 20 129.741 127.362 2.379 1
1 154 . 9 1 1 A 20 20 CYS H H 20 9.224 9.127 0.097 1
1 155 . 9 1 1 A 20 20 CYS CA C 20 59.974 59.396 0.578 1
1 156 . 9 1 1 A 20 20 CYS HA H 20 4.827 4.479 0.348 1
1 157 . 9 1 1 A 20 20 CYS CB C 20 30.335 29.069 1.266 1
1 160 . 9 1 1 A 20 20 CYS C C 20 178.043 175.615 2.428 1
1 161 . 9 1 1 A 21 21 LYS N N 21 132.598 122.625 9.973 1
1 162 . 9 1 1 A 21 21 LYS H H 21 9.473 8.395 1.078 1
1 163 . 9 1 1 A 21 21 LYS CA C 21 58.099 56.668 1.431 1
1 164 . 9 1 1 A 21 21 LYS HA H 21 4.104 4.462 -0.358 1
1 165 . 9 1 1 A 21 21 LYS CB C 21 31.695 33.907 -2.212 1
1 177 . 9 1 1 A 21 21 LYS C C 21 175.765 178.209 -2.444 1
1 178 . 9 1 1 A 22 22 PHE N N 22 121.000 117.918 3.082 1
1 179 . 9 1 1 A 22 22 PHE H H 22 9.158 7.936 1.222 1
1 180 . 9 1 1 A 22 22 PHE CA C 22 59.743 59.957 -0.214 1
1 181 . 9 1 1 A 22 22 PHE HA H 22 4.394 4.154 0.240 1
1 182 . 9 1 1 A 22 22 PHE CB C 22 37.953 38.093 -0.140 1
1 195 . 9 1 1 A 22 22 PHE C C 22 176.819 176.852 -0.033 1
1 196 . 9 1 1 A 23 23 CYS N N 23 115.955 113.549 2.406 1
1 197 . 9 1 1 A 23 23 CYS H H 23 8.410 8.010 0.400 1
1 198 . 9 1 1 A 23 23 CYS CA C 23 58.486 59.372 -0.886 1
1 199 . 9 1 1 A 23 23 CYS HA H 23 5.262 4.736 0.526 1
1 200 . 9 1 1 A 23 23 CYS CB C 23 33.092 30.672 2.420 1
1 203 . 9 1 1 A 23 23 CYS C C 23 176.770 175.879 0.891 1
1 204 . 9 1 1 A 24 24 GLY N N 24 112.575 111.028 1.547 1
1 205 . 9 1 1 A 24 24 GLY H H 24 8.092 8.144 -0.052 1
1 206 . 9 1 1 A 24 24 GLY CA C 24 46.302 46.736 -0.434 1
1 207 . 9 1 1 A 24 24 GLY HA2 H 24 4.238 3.944 0.294 1
1 208 . 9 1 1 A 24 24 GLY HA3 H 24 3.776 3.958 -0.182 1
1 209 . 9 1 1 A 24 24 GLY C C 24 173.621 174.052 -0.431 1
1 210 . 9 1 1 A 25 25 ARG N N 25 122.678 120.046 2.632 1
1 211 . 9 1 1 A 25 25 ARG H H 25 8.079 7.878 0.201 1
1 212 . 9 1 1 A 25 25 ARG CA C 25 58.063 54.555 3.508 1
1 213 . 9 1 1 A 25 25 ARG HA H 25 4.096 4.784 -0.688 1
1 214 . 9 1 1 A 25 25 ARG CB C 25 31.628 33.281 -1.653 1
1 223 . 9 1 1 A 25 25 ARG C C 25 174.641 174.818 -0.177 1
1 224 . 9 1 1 A 26 26 HIS N N 26 121.510 124.219 -2.709 1
1 225 . 9 1 1 A 26 26 HIS H H 26 8.454 8.839 -0.385 1
1 226 . 9 1 1 A 26 26 HIS CA C 26 55.553 56.140 -0.587 1
1 227 . 9 1 1 A 26 26 HIS HA H 26 5.166 5.060 0.106 1
1 228 . 9 1 1 A 26 26 HIS CB C 26 32.066 31.162 0.904 1
1 235 . 9 1 1 A 26 26 HIS C C 26 174.732 174.941 -0.209 1
1 236 . 9 1 1 A 27 27 PHE N N 27 119.065 119.822 -0.757 1
1 237 . 9 1 1 A 27 27 PHE H H 27 9.035 8.576 0.459 1
1 238 . 9 1 1 A 27 27 PHE CA C 27 57.515 56.627 0.888 1
1 239 . 9 1 1 A 27 27 PHE HA H 27 4.724 4.819 -0.095 1
1 240 . 9 1 1 A 27 27 PHE CB C 27 43.276 43.295 -0.019 1
1 253 . 9 1 1 A 27 27 PHE C C 27 175.205 175.886 -0.681 1
1 254 . 9 1 1 A 28 28 THR CA C 28 62.856 64.178 -1.322 1
1 255 . 9 1 1 A 28 28 THR HA H 28 4.691 4.410 0.281 1
1 256 . 9 1 1 A 28 28 THR CB C 28 69.897 69.454 0.443 1
1 262 . 9 1 1 A 28 28 THR C C 28 174.714 174.503 0.211 1
1 263 . 9 1 1 A 29 29 LYS N N 29 118.993 118.248 0.745 1
1 264 . 9 1 1 A 29 29 LYS H H 29 7.456 7.563 -0.107 1
1 265 . 9 1 1 A 29 29 LYS CA C 29 54.239 54.478 -0.239 1
1 266 . 9 1 1 A 29 29 LYS HA H 29 4.573 4.783 -0.210 1
1 267 . 9 1 1 A 29 29 LYS CB C 29 35.412 35.026 0.386 1
1 279 . 9 1 1 A 29 29 LYS C C 29 176.395 176.154 0.241 1
1 280 . 9 1 1 A 30 30 SER CA C 30 60.921 61.310 -0.389 1
1 281 . 9 1 1 A 30 30 SER HA H 30 3.025 4.480 -1.455 1
1 282 . 9 1 1 A 30 30 SER CB C 30 61.703 62.712 -1.009 1
1 285 . 9 1 1 A 31 31 TYR CA C 31 60.807 61.900 -1.093 1
1 286 . 9 1 1 A 31 31 TYR HA H 31 4.101 4.073 0.028 1
1 287 . 9 1 1 A 31 31 TYR CB C 31 38.408 38.738 -0.330 1
1 298 . 9 1 1 A 31 31 TYR C C 31 176.455 177.671 -1.216 1
1 299 . 9 1 1 A 32 32 ASN N N 32 114.304 118.247 -3.943 1
1 300 . 9 1 1 A 32 32 ASN H H 32 6.481 8.442 -1.961 1
1 301 . 9 1 1 A 32 32 ASN CA C 32 55.198 56.609 -1.411 1
1 302 . 9 1 1 A 32 32 ASN HA H 32 4.283 4.517 -0.234 1
1 303 . 9 1 1 A 32 32 ASN CB C 32 37.912 40.139 -2.227 1
1 309 . 9 1 1 A 32 32 ASN C C 32 177.633 177.387 0.246 1
1 310 . 9 1 1 A 33 33 LEU N N 33 121.854 120.323 1.531 1
1 311 . 9 1 1 A 33 33 LEU H H 33 7.002 7.791 -0.789 1
1 312 . 9 1 1 A 33 33 LEU CA C 33 57.820 57.827 -0.007 1
1 313 . 9 1 1 A 33 33 LEU HA H 33 2.922 2.990 -0.068 1
1 314 . 9 1 1 A 33 33 LEU CB C 33 40.350 41.127 -0.777 1
1 327 . 9 1 1 A 33 33 LEU C C 33 176.900 178.166 -1.266 1
1 328 . 9 1 1 A 34 34 LEU N N 34 120.140 116.521 3.619 1
1 329 . 9 1 1 A 34 34 LEU H H 34 7.795 7.629 0.166 1
1 330 . 9 1 1 A 34 34 LEU CA C 34 58.506 58.012 0.494 1
1 331 . 9 1 1 A 34 34 LEU HA H 34 3.933 3.968 -0.035 1
1 332 . 9 1 1 A 34 34 LEU CB C 34 41.523 41.379 0.144 1
1 345 . 9 1 1 A 34 34 LEU C C 34 179.914 179.353 0.561 1
1 346 . 9 1 1 A 35 35 ILE N N 35 116.693 119.836 -3.143 1
1 347 . 9 1 1 A 35 35 ILE H H 35 7.368 7.938 -0.570 1
1 348 . 9 1 1 A 35 35 ILE CA C 35 63.641 65.346 -1.705 1
1 349 . 9 1 1 A 35 35 ILE HA H 35 3.533 3.575 -0.042 1
1 350 . 9 1 1 A 35 35 ILE CB C 35 37.380 37.875 -0.495 1
1 363 . 9 1 1 A 35 35 ILE C C 35 178.700 178.262 0.438 1
1 364 . 9 1 1 A 36 36 HIS N N 36 119.039 119.781 -0.742 1
1 365 . 9 1 1 A 36 36 HIS H H 36 7.424 8.312 -0.888 1
1 366 . 9 1 1 A 36 36 HIS CA C 36 59.486 60.127 -0.641 1
1 367 . 9 1 1 A 36 36 HIS HA H 36 4.282 4.111 0.171 1
1 368 . 9 1 1 A 36 36 HIS CB C 36 28.563 29.746 -1.183 1
1 375 . 9 1 1 A 36 36 HIS C C 36 178.907 177.542 1.365 1
1 376 . 9 1 1 A 37 37 GLU N N 37 122.627 118.069 4.558 1
1 377 . 9 1 1 A 37 37 GLU H H 37 9.459 8.176 1.283 1
1 378 . 9 1 1 A 37 37 GLU CA C 37 61.473 59.966 1.507 1
1 379 . 9 1 1 A 37 37 GLU HA H 37 3.922 3.891 0.031 1
1 380 . 9 1 1 A 37 37 GLU CB C 37 30.028 29.169 0.859 1
1 386 . 9 1 1 A 37 37 GLU C C 37 178.840 179.478 -0.638 1
1 387 . 9 1 1 A 38 38 ARG N N 38 116.143 120.129 -3.986 1
1 388 . 9 1 1 A 38 38 ARG H H 38 7.244 7.690 -0.446 1
1 389 . 9 1 1 A 38 38 ARG CA C 38 58.258 59.229 -0.971 1
1 390 . 9 1 1 A 38 38 ARG HA H 38 4.129 4.006 0.123 1
1 391 . 9 1 1 A 38 38 ARG CB C 38 30.054 30.200 -0.146 1
1 400 . 9 1 1 A 38 38 ARG C C 38 177.863 179.367 -1.504 1
1 401 . 9 1 1 A 39 39 THR N N 39 109.313 112.867 -3.554 1
1 402 . 9 1 1 A 39 39 THR H H 39 7.639 7.771 -0.132 1
1 403 . 9 1 1 A 39 39 THR CA C 39 63.892 64.714 -0.822 1
1 404 . 9 1 1 A 39 39 THR HA H 39 4.075 4.007 0.068 1
1 405 . 9 1 1 A 39 39 THR CB C 39 69.337 68.357 0.980 1
1 411 . 9 1 1 A 39 39 THR C C 39 175.843 176.628 -0.785 1
1 412 . 9 1 1 A 40 40 HIS N N 40 119.019 118.633 0.386 1
1 413 . 9 1 1 A 40 40 HIS H H 40 7.046 7.105 -0.059 1
1 414 . 9 1 1 A 40 40 HIS CA C 40 55.942 58.817 -2.875 1
1 415 . 9 1 1 A 40 40 HIS HA H 40 4.410 4.252 0.158 1
1 416 . 9 1 1 A 40 40 HIS CB C 40 27.446 29.921 -2.475 1
1 423 . 9 1 1 A 40 40 HIS C C 40 175.528 176.150 -0.622 1
1 424 . 9 1 1 A 41 41 THR N N 41 111.847 111.687 0.160 1
1 425 . 9 1 1 A 41 41 THR H H 41 7.579 7.206 0.373 1
1 426 . 9 1 1 A 41 41 THR CA C 41 62.200 62.689 -0.489 1
1 427 . 9 1 1 A 41 41 THR HA H 41 4.152 4.009 0.143 1
1 428 . 9 1 1 A 41 41 THR CB C 41 69.440 69.667 -0.227 1
1 434 . 9 1 1 A 41 41 THR C C 41 174.484 174.507 -0.023 1
1 435 . 9 1 1 A 42 42 ASP N N 42 122.207 125.996 -3.789 1
1 436 . 9 1 1 A 42 42 ASP H H 42 8.191 8.603 -0.412 1
1 437 . 9 1 1 A 42 42 ASP CA C 42 54.373 54.213 0.160 1
1 438 . 9 1 1 A 42 42 ASP HA H 42 4.524 4.795 -0.271 1
1 439 . 9 1 1 A 42 42 ASP CB C 42 41.045 41.346 -0.301 1
1 442 . 9 1 1 A 42 42 ASP C C 42 175.869 176.413 -0.544 1
1 443 . 9 1 1 A 43 43 GLU N N 43 120.562 123.328 -2.766 1
1 444 . 9 1 1 A 43 43 GLU H H 43 8.064 8.525 -0.461 1
1 445 . 9 1 1 A 43 43 GLU CA C 43 57.378 55.801 1.577 1
1 446 . 9 1 1 A 43 43 GLU HA H 43 4.098 4.906 -0.808 1
1 447 . 9 1 1 A 43 43 GLU CB C 43 30.262 30.995 -0.733 1
1 453 . 9 1 1 A 43 43 GLU C C 43 176.313 175.619 0.694 1
1 454 . 9 1 1 A 44 44 ARG N N 44 120.015 120.585 -0.570 1
1 455 . 9 1 1 A 44 44 ARG H H 44 8.190 8.762 -0.572 1
1 456 . 9 1 1 A 44 44 ARG CA C 44 53.266 53.619 -0.353 1
1 457 . 9 1 1 A 44 44 ARG HA H 44 4.533 4.919 -0.386 1
1 458 . 9 1 1 A 44 44 ARG CB C 44 30.702 32.490 -1.788 1
1 467 . 9 1 1 A 44 44 ARG C C 44 173.360 175.737 -2.377 1
1 468 . 9 1 1 A 45 45 PRO CA C 45 63.459 65.306 -1.847 1
1 469 . 9 1 1 A 45 45 PRO HA H 45 4.298 4.401 -0.103 1
1 470 . 9 1 1 A 45 45 PRO CB C 45 32.219 31.848 0.371 1
1 479 . 9 1 1 A 45 45 PRO C C 45 176.492 177.004 -0.512 1
1 480 . 9 1 1 A 46 46 TYR N N 46 119.184 117.035 2.149 1
1 481 . 9 1 1 A 46 46 TYR H H 46 7.840 8.307 -0.467 1
1 482 . 9 1 1 A 46 46 TYR CA C 46 57.533 57.052 0.481 1
1 483 . 9 1 1 A 46 46 TYR HA H 46 4.757 4.642 0.115 1
1 484 . 9 1 1 A 46 46 TYR CB C 46 38.646 36.480 2.166 1
1 495 . 9 1 1 A 46 46 TYR C C 46 175.414 175.053 0.361 1
1 496 . 9 1 1 A 47 47 THR N N 47 117.631 119.938 -2.307 1
1 497 . 9 1 1 A 47 47 THR H H 47 8.607 8.872 -0.265 1
1 498 . 9 1 1 A 47 47 THR CA C 47 60.593 61.710 -1.117 1
1 499 . 9 1 1 A 47 47 THR HA H 47 5.130 5.236 -0.106 1
1 500 . 9 1 1 A 47 47 THR CB C 47 71.076 70.042 1.034 1
1 506 . 9 1 1 A 47 47 THR C C 47 173.697 174.072 -0.375 1
1 507 . 9 1 1 A 48 48 CYS N N 48 127.009 126.374 0.635 1
1 508 . 9 1 1 A 48 48 CYS H H 48 9.072 8.479 0.593 1
1 509 . 9 1 1 A 48 48 CYS CA C 48 60.153 59.148 1.005 1
1 510 . 9 1 1 A 48 48 CYS HA H 48 4.422 4.446 -0.024 1
1 511 . 9 1 1 A 48 48 CYS CB C 48 29.832 29.072 0.760 1
1 514 . 9 1 1 A 48 48 CYS C C 48 176.023 174.785 1.238 1
1 515 . 9 1 1 A 49 49 ASP N N 49 129.691 124.589 5.102 1
1 516 . 9 1 1 A 49 49 ASP H H 49 9.129 8.922 0.207 1
1 517 . 9 1 1 A 49 49 ASP CA C 49 55.499 55.370 0.129 1
1 518 . 9 1 1 A 49 49 ASP HA H 49 4.353 4.557 -0.204 1
1 519 . 9 1 1 A 49 49 ASP CB C 49 39.656 41.930 -2.274 1
1 522 . 9 1 1 A 49 49 ASP C C 49 175.094 177.286 -2.192 1
1 523 . 9 1 1 A 50 50 ILE N N 50 121.649 116.458 5.191 1
1 524 . 9 1 1 A 50 50 ILE H H 50 8.661 7.686 0.975 1
1 525 . 9 1 1 A 50 50 ILE CA C 50 62.888 62.892 -0.004 1
1 526 . 9 1 1 A 50 50 ILE HA H 50 3.837 4.214 -0.377 1
1 527 . 9 1 1 A 50 50 ILE CB C 50 38.652 38.543 0.109 1
1 540 . 9 1 1 A 50 50 ILE C C 50 176.439 177.805 -1.366 1
1 541 . 9 1 1 A 51 51 CYS N N 51 116.341 118.337 -1.996 1
1 542 . 9 1 1 A 51 51 CYS H H 51 7.973 7.872 0.101 1
1 543 . 9 1 1 A 51 51 CYS CA C 51 58.192 60.416 -2.224 1
1 544 . 9 1 1 A 51 51 CYS HA H 51 4.922 4.423 0.499 1
1 545 . 9 1 1 A 51 51 CYS CB C 51 32.086 28.260 3.826 1
1 548 . 9 1 1 A 51 51 CYS C C 51 175.814 175.104 0.710 1
1 549 . 9 1 1 A 52 52 HIS N N 52 116.961 115.575 1.386 1
1 550 . 9 1 1 A 52 52 HIS H H 52 7.714 8.313 -0.599 1
1 551 . 9 1 1 A 52 52 HIS CA C 52 58.187 56.561 1.626 1
1 552 . 9 1 1 A 52 52 HIS HA H 52 4.521 4.234 0.287 1
1 553 . 9 1 1 A 52 52 HIS CB C 52 27.079 26.873 0.206 1
1 560 . 9 1 1 A 52 52 HIS C C 52 174.215 174.621 -0.406 1
1 561 . 9 1 1 A 53 53 LYS N N 53 122.651 118.615 4.036 1
1 562 . 9 1 1 A 53 53 LYS H H 53 7.902 7.820 0.082 1
1 563 . 9 1 1 A 53 53 LYS CA C 53 58.205 56.111 2.094 1
1 564 . 9 1 1 A 53 53 LYS HA H 53 4.051 4.410 -0.359 1
1 565 . 9 1 1 A 53 53 LYS CB C 53 33.868 34.138 -0.270 1
1 577 . 9 1 1 A 53 53 LYS C C 53 173.816 175.609 -1.793 1
1 578 . 9 1 1 A 54 54 ALA N N 54 124.589 120.256 4.333 1
1 579 . 9 1 1 A 54 54 ALA H H 54 7.885 8.037 -0.152 1
1 580 . 9 1 1 A 54 54 ALA CA C 54 50.573 49.995 0.578 1
1 581 . 9 1 1 A 54 54 ALA HA H 54 5.098 5.551 -0.453 1
1 582 . 9 1 1 A 54 54 ALA CB C 54 22.290 22.452 -0.162 1
1 586 . 9 1 1 A 54 54 ALA C C 54 176.763 175.684 1.079 1
1 587 . 9 1 1 A 55 55 PHE N N 55 117.946 117.577 0.369 1
1 588 . 9 1 1 A 55 55 PHE H H 55 9.044 8.963 0.081 1
1 589 . 9 1 1 A 55 55 PHE CA C 55 57.320 56.795 0.525 1
1 590 . 9 1 1 A 55 55 PHE HA H 55 4.724 5.058 -0.334 1
1 591 . 9 1 1 A 55 55 PHE CB C 55 43.710 44.181 -0.471 1
1 604 . 9 1 1 A 55 55 PHE C C 55 175.251 175.251 0.000 1
1 605 . 9 1 1 A 56 56 ARG N N 56 119.843 122.088 -2.245 1
1 606 . 9 1 1 A 56 56 ARG H H 56 9.587 9.041 0.546 1
1 607 . 9 1 1 A 56 56 ARG CA C 56 58.117 57.128 0.989 1
1 608 . 9 1 1 A 56 56 ARG HA H 56 4.603 4.400 0.203 1
1 609 . 9 1 1 A 56 56 ARG CB C 56 31.741 32.484 -0.743 1
1 618 . 9 1 1 A 56 56 ARG C C 56 176.201 176.162 0.039 1
1 619 . 9 1 1 A 57 57 ARG N N 57 113.134 118.865 -5.731 1
1 620 . 9 1 1 A 57 57 ARG H H 57 7.273 7.630 -0.357 1
1 621 . 9 1 1 A 57 57 ARG CA C 57 53.978 55.460 -1.482 1
1 622 . 9 1 1 A 57 57 ARG HA H 57 4.650 4.542 0.108 1
1 623 . 9 1 1 A 57 57 ARG CB C 57 34.701 31.245 3.456 1
1 632 . 9 1 1 A 57 57 ARG C C 57 176.296 177.241 -0.945 1
1 633 . 9 1 1 A 58 58 GLN N N 58 124.070 122.284 1.786 1
1 634 . 9 1 1 A 58 58 GLN H H 58 8.583 8.852 -0.269 1
1 635 . 9 1 1 A 58 58 GLN CA C 58 59.036 58.821 0.215 1
1 636 . 9 1 1 A 58 58 GLN HA H 58 3.004 3.834 -0.830 1
1 637 . 9 1 1 A 58 58 GLN CB C 58 28.229 28.759 -0.530 1
1 646 . 9 1 1 A 58 58 GLN C C 58 177.925 177.548 0.377 1
1 647 . 9 1 1 A 59 59 ASP CA C 59 56.406 56.700 -0.294 1
1 648 . 9 1 1 A 59 59 ASP HA H 59 4.046 4.389 -0.343 1
1 649 . 9 1 1 A 59 59 ASP CB C 59 38.248 41.013 -2.765 1
1 652 . 9 1 1 A 59 59 ASP C C 59 177.698 178.022 -0.324 1
1 653 . 9 1 1 A 60 60 HIS N N 60 119.173 116.942 2.231 1
1 654 . 9 1 1 A 60 60 HIS H H 60 6.954 8.024 -1.070 1
1 655 . 9 1 1 A 60 60 HIS CA C 60 56.843 59.655 -2.812 1
1 656 . 9 1 1 A 60 60 HIS HA H 60 4.432 4.484 -0.052 1
1 657 . 9 1 1 A 60 60 HIS CB C 60 31.752 30.737 1.015 1
1 664 . 9 1 1 A 60 60 HIS C C 60 178.617 177.087 1.530 1
1 665 . 9 1 1 A 61 61 LEU N N 61 120.844 121.571 -0.727 1
1 666 . 9 1 1 A 61 61 LEU H H 61 6.979 7.769 -0.790 1
1 667 . 9 1 1 A 61 61 LEU CA C 61 57.728 56.482 1.246 1
1 668 . 9 1 1 A 61 61 LEU HA H 61 3.145 3.696 -0.551 1
1 669 . 9 1 1 A 61 61 LEU CB C 61 40.153 42.640 -2.487 1
1 682 . 9 1 1 A 61 61 LEU C C 61 176.855 178.236 -1.381 1
1 683 . 9 1 1 A 62 62 ARG N N 62 120.225 118.000 2.225 1
1 684 . 9 1 1 A 62 62 ARG H H 62 8.012 8.757 -0.745 1
1 685 . 9 1 1 A 62 62 ARG CA C 62 59.526 58.875 0.651 1
1 686 . 9 1 1 A 62 62 ARG HA H 62 3.724 3.963 -0.239 1
1 687 . 9 1 1 A 62 62 ARG CB C 62 29.388 29.790 -0.402 1
1 696 . 9 1 1 A 62 62 ARG C C 62 178.582 177.928 0.654 1
1 697 . 9 1 1 A 63 63 ASP N N 63 117.219 119.901 -2.682 1
1 698 . 9 1 1 A 63 63 ASP H H 63 7.823 7.419 0.404 1
1 699 . 9 1 1 A 63 63 ASP CA C 63 56.694 56.497 0.197 1
1 700 . 9 1 1 A 63 63 ASP HA H 63 4.401 4.494 -0.093 1
1 701 . 9 1 1 A 63 63 ASP CB C 63 40.226 40.749 -0.523 1
1 704 . 9 1 1 A 63 63 ASP C C 63 178.560 178.363 0.197 1
1 705 . 9 1 1 A 64 64 HIS N N 64 119.185 119.777 -0.592 1
1 706 . 9 1 1 A 64 64 HIS H H 64 7.606 8.034 -0.428 1
1 707 . 9 1 1 A 64 64 HIS CA C 64 58.772 59.995 -1.223 1
1 708 . 9 1 1 A 64 64 HIS HA H 64 4.211 4.120 0.091 1
1 709 . 9 1 1 A 64 64 HIS CB C 64 28.533 29.697 -1.164 1
1 716 . 9 1 1 A 64 64 HIS C C 64 176.334 176.635 -0.301 1
1 717 . 9 1 1 A 65 65 ARG N N 65 116.490 117.324 -0.834 1
1 718 . 9 1 1 A 65 65 ARG H H 65 8.157 7.662 0.495 1
1 719 . 9 1 1 A 65 65 ARG CA C 65 59.666 58.993 0.673 1
1 720 . 9 1 1 A 65 65 ARG HA H 65 3.576 3.868 -0.292 1
1 721 . 9 1 1 A 65 65 ARG CB C 65 29.958 29.907 0.051 1
1 730 . 9 1 1 A 65 65 ARG C C 65 178.301 178.382 -0.081 1
1 731 . 9 1 1 A 66 66 TYR N N 66 117.286 121.281 -3.995 1
1 732 . 9 1 1 A 66 66 TYR H H 66 7.169 8.435 -1.266 1
1 733 . 9 1 1 A 66 66 TYR CA C 66 60.186 60.833 -0.647 1
1 734 . 9 1 1 A 66 66 TYR HA H 66 4.339 4.042 0.297 1
1 735 . 9 1 1 A 66 66 TYR CB C 66 37.960 38.757 -0.797 1
1 746 . 9 1 1 A 66 66 TYR C C 66 178.191 177.722 0.469 1
1 747 . 9 1 1 A 67 67 ILE N N 67 117.609 113.428 4.181 1
1 748 . 9 1 1 A 67 67 ILE H H 67 7.883 7.887 -0.004 1
1 749 . 9 1 1 A 67 67 ILE CA C 67 63.440 64.327 -0.887 1
1 750 . 9 1 1 A 67 67 ILE HA H 67 3.836 3.624 0.212 1
1 751 . 9 1 1 A 67 67 ILE CB C 67 37.482 36.959 0.523 1
1 764 . 9 1 1 A 67 67 ILE C C 67 177.511 176.233 1.278 1
1 765 . 9 1 1 A 68 68 HIS N N 68 116.764 122.117 -5.353 1
1 766 . 9 1 1 A 68 68 HIS H H 68 7.140 7.409 -0.269 1
1 767 . 9 1 1 A 68 68 HIS CA C 68 55.340 55.701 -0.361 1
1 768 . 9 1 1 A 68 68 HIS HA H 68 4.768 4.530 0.238 1
1 769 . 9 1 1 A 68 68 HIS CB C 68 28.687 30.171 -1.484 1
1 776 . 9 1 1 A 68 68 HIS C C 68 175.627 175.109 0.518 1
1 777 . 9 1 1 A 69 69 SER N N 69 114.870 119.589 -4.719 1
1 778 . 9 1 1 A 69 69 SER H H 69 7.731 8.647 -0.916 1
1 779 . 9 1 1 A 69 69 SER CA C 69 59.200 59.008 0.192 1
1 780 . 9 1 1 A 69 69 SER HA H 69 4.379 4.310 0.069 1
1 781 . 9 1 1 A 69 69 SER CB C 69 63.765 64.256 -0.491 1
1 784 . 9 1 1 A 69 69 SER C C 69 174.692 174.473 0.219 1
1 785 . 9 1 1 A 70 70 LYS N N 70 121.978 123.922 -1.944 1
1 786 . 9 1 1 A 70 70 LYS H H 70 8.063 8.418 -0.355 1
1 787 . 9 1 1 A 70 70 LYS CA C 70 56.825 55.388 1.437 1
1 788 . 9 1 1 A 70 70 LYS HA H 70 4.214 4.510 -0.296 1
1 789 . 9 1 1 A 70 70 LYS CB C 70 32.539 32.161 0.378 1
1 801 . 9 1 1 A 70 70 LYS C C 70 176.806 175.632 1.174 1
1 802 . 9 1 1 A 71 71 GLU N N 71 120.177 128.564 -8.387 1
1 803 . 9 1 1 A 71 71 GLU H H 71 8.008 8.268 -0.260 1
1 804 . 9 1 1 A 71 71 GLU CA C 71 56.472 56.695 -0.223 1
1 805 . 9 1 1 A 71 71 GLU HA H 71 4.191 4.300 -0.109 1
1 806 . 9 1 1 A 71 71 GLU CB C 71 29.335 30.730 -1.395 1
1 811 . 9 1 1 A 71 71 GLU C C 71 176.040 176.087 -0.047 1
1 812 . 9 1 1 A 72 72 LYS N N 72 121.800 123.464 -1.664 1
1 813 . 9 1 1 A 72 72 LYS H H 72 8.277 8.525 -0.248 1
1 814 . 9 1 1 A 72 72 LYS CA C 72 53.820 54.826 -1.006 1
1 815 . 9 1 1 A 72 72 LYS HA H 72 4.391 4.706 -0.315 1
1 816 . 9 1 1 A 72 72 LYS CB C 72 32.139 32.637 -0.498 1
1 828 . 9 1 1 A 72 72 LYS C C 72 174.768 176.461 -1.693 1
1 829 . 9 1 1 A 73 73 PRO CA C 73 63.978 65.227 -1.249 1
1 830 . 9 1 1 A 73 73 PRO HA H 73 4.144 4.389 -0.245 1
1 831 . 9 1 1 A 73 73 PRO CB C 73 31.953 31.971 -0.018 1
1 840 . 9 1 1 A 73 73 PRO C C 73 176.402 177.821 -1.419 1
1 841 . 9 1 1 A 74 74 PHE N N 74 117.425 118.539 -1.114 1
1 842 . 9 1 1 A 74 74 PHE H H 74 7.686 8.078 -0.392 1
1 843 . 9 1 1 A 74 74 PHE CA C 74 57.020 61.856 -4.836 1
1 844 . 9 1 1 A 74 74 PHE HA H 74 4.691 4.102 0.589 1
1 845 . 9 1 1 A 74 74 PHE CB C 74 39.403 39.326 0.077 1
1 856 . 9 1 1 A 74 74 PHE C C 74 174.442 175.519 -1.077 1
1 857 . 9 1 1 A 75 75 LYS N N 75 123.931 118.574 5.357 1
1 858 . 9 1 1 A 75 75 LYS H H 75 8.590 7.910 0.680 1
1 859 . 9 1 1 A 75 75 LYS CA C 75 54.951 54.517 0.434 1
1 860 . 9 1 1 A 75 75 LYS HA H 75 5.021 4.792 0.229 1
1 861 . 9 1 1 A 75 75 LYS CB C 75 35.286 34.314 0.972 1
1 873 . 9 1 1 A 75 75 LYS C C 75 175.465 175.941 -0.476 1
1 874 . 9 1 1 A 76 76 CYS N N 76 126.279 125.250 1.029 1
1 875 . 9 1 1 A 76 76 CYS H H 76 9.149 8.911 0.238 1
1 876 . 9 1 1 A 76 76 CYS CA C 76 59.553 59.897 -0.344 1
1 877 . 9 1 1 A 76 76 CYS HA H 76 4.462 4.535 -0.073 1
1 878 . 9 1 1 A 76 76 CYS CB C 76 29.772 28.768 1.004 1
1 881 . 9 1 1 A 76 76 CYS C C 76 177.367 175.029 2.338 1
1 882 . 9 1 1 A 77 77 GLN CA C 77 58.117 57.695 0.422 1
1 883 . 9 1 1 A 77 77 GLN HA H 77 4.130 4.220 -0.090 1
1 884 . 9 1 1 A 77 77 GLN CB C 77 28.479 28.931 -0.452 1
1 893 . 9 1 1 A 77 77 GLN C C 77 176.283 177.846 -1.563 1
1 894 . 9 1 1 A 78 78 GLU N N 78 120.320 118.724 1.596 1
1 895 . 9 1 1 A 78 78 GLU H H 78 8.682 7.580 1.102 1
1 896 . 9 1 1 A 78 78 GLU CA C 78 58.540 58.971 -0.431 1
1 897 . 9 1 1 A 78 78 GLU HA H 78 4.165 3.982 0.183 1
1 898 . 9 1 1 A 78 78 GLU CB C 78 29.469 28.807 0.662 1
1 904 . 9 1 1 A 78 78 GLU C C 78 177.275 178.367 -1.092 1
1 905 . 9 1 1 A 79 79 CYS N N 79 114.728 114.838 -0.110 1
1 906 . 9 1 1 A 79 79 CYS H H 79 8.018 7.280 0.738 1
1 907 . 9 1 1 A 79 79 CYS CA C 79 58.271 60.003 -1.732 1
1 908 . 9 1 1 A 79 79 CYS HA H 79 5.142 4.506 0.636 1
1 909 . 9 1 1 A 79 79 CYS CB C 79 32.339 29.142 3.197 1
1 912 . 9 1 1 A 79 79 CYS C C 79 176.280 175.601 0.679 1
1 913 . 9 1 1 A 80 80 GLY N N 80 113.675 110.851 2.824 1
1 914 . 9 1 1 A 80 80 GLY H H 80 8.133 8.238 -0.105 1
1 915 . 9 1 1 A 80 80 GLY CA C 80 46.206 46.684 -0.478 1
1 916 . 9 1 1 A 80 80 GLY HA2 H 80 4.213 3.967 0.246 1
1 917 . 9 1 1 A 80 80 GLY HA3 H 80 3.755 4.005 -0.250 1
1 918 . 9 1 1 A 80 80 GLY C C 80 173.619 174.869 -1.250 1
1 919 . 9 1 1 A 81 81 LYS N N 81 122.811 119.165 3.646 1
1 920 . 9 1 1 A 81 81 LYS H H 81 7.945 7.998 -0.053 1
1 921 . 9 1 1 A 81 81 LYS CA C 81 58.211 55.335 2.876 1
1 922 . 9 1 1 A 81 81 LYS HA H 81 3.947 4.425 -0.478 1
1 923 . 9 1 1 A 81 81 LYS CB C 81 33.921 33.806 0.115 1
1 935 . 9 1 1 A 81 81 LYS C C 81 174.639 176.690 -2.051 1
1 936 . 9 1 1 A 82 82 GLY N N 82 108.366 109.776 -1.410 1
1 937 . 9 1 1 A 82 82 GLY H H 82 7.936 8.204 -0.268 1
1 938 . 9 1 1 A 82 82 GLY CA C 82 44.048 46.315 -2.267 1
1 939 . 9 1 1 A 82 82 GLY HA2 H 82 4.847 3.787 1.060 1
1 940 . 9 1 1 A 82 82 GLY HA3 H 82 3.291 3.797 -0.506 1
1 941 . 9 1 1 A 82 82 GLY C C 82 172.166 173.620 -1.454 1
1 942 . 9 1 1 A 83 83 PHE N N 83 117.822 120.235 -2.413 1
1 943 . 9 1 1 A 83 83 PHE H H 83 8.697 7.395 1.302 1
1 944 . 9 1 1 A 83 83 PHE CA C 83 57.338 59.223 -1.885 1
1 945 . 9 1 1 A 83 83 PHE HA H 83 4.755 4.275 0.480 1
1 946 . 9 1 1 A 83 83 PHE CB C 83 43.462 39.630 3.832 1
1 959 . 9 1 1 A 83 83 PHE C C 83 175.424 175.400 0.024 1
1 960 . 9 1 1 A 84 84 CYS CA C 84 60.706 57.902 2.804 1
1 961 . 9 1 1 A 84 84 CYS HA H 84 4.608 4.670 -0.062 1
1 962 . 9 1 1 A 84 84 CYS CB C 84 28.990 28.450 0.540 1
1 965 . 9 1 1 A 84 84 CYS C C 84 174.163 173.364 0.799 1
1 966 . 9 1 1 A 85 85 GLN N N 85 114.620 121.090 -6.470 1
1 967 . 9 1 1 A 85 85 GLN H H 85 7.326 7.566 -0.240 1
1 968 . 9 1 1 A 85 85 GLN CA C 85 54.098 53.914 0.184 1
1 969 . 9 1 1 A 85 85 GLN HA H 85 4.648 4.884 -0.236 1
1 970 . 9 1 1 A 85 85 GLN CB C 85 32.066 33.362 -1.296 1
1 979 . 9 1 1 A 85 85 GLN C C 85 175.230 175.402 -0.172 1
1 980 . 9 1 1 A 86 86 SER CA C 86 61.164 60.849 0.315 1
1 981 . 9 1 1 A 86 86 SER HA H 86 3.078 4.629 -1.551 1
1 982 . 9 1 1 A 86 86 SER CB C 86 61.738 64.287 -2.549 1
1 985 . 9 1 1 A 87 87 ARG CA C 87 58.886 57.564 1.322 1
1 986 . 9 1 1 A 87 87 ARG HA H 87 4.049 4.165 -0.116 1
1 987 . 9 1 1 A 87 87 ARG CB C 87 29.519 29.323 0.196 1
1 996 . 9 1 1 A 87 87 ARG C C 87 177.520 176.884 0.636 1
1 997 . 9 1 1 A 88 88 THR N N 88 112.500 114.185 -1.685 1
1 998 . 9 1 1 A 88 88 THR H H 88 6.796 7.748 -0.952 1
1 999 . 9 1 1 A 88 88 THR CA C 88 64.598 65.331 -0.733 1
1 1000 . 9 1 1 A 88 88 THR HA H 88 3.844 4.157 -0.313 1
1 1001 . 9 1 1 A 88 88 THR CB C 88 67.809 69.534 -1.725 1
1 1007 . 9 1 1 A 88 88 THR C C 88 177.343 175.944 1.399 1
1 1008 . 9 1 1 A 89 89 LEU N N 89 123.163 121.278 1.885 1
1 1009 . 9 1 1 A 89 89 LEU H H 89 6.898 8.167 -1.269 1
1 1010 . 9 1 1 A 89 89 LEU CA C 89 57.692 57.609 0.083 1
1 1011 . 9 1 1 A 89 89 LEU HA H 89 3.147 3.384 -0.237 1
1 1012 . 9 1 1 A 89 89 LEU CB C 89 40.133 41.225 -1.092 1
1 1025 . 9 1 1 A 89 89 LEU C C 89 176.886 177.973 -1.087 1
1 1026 . 9 1 1 A 90 90 ALA N N 90 120.747 121.035 -0.288 1
1 1027 . 9 1 1 A 90 90 ALA H H 90 7.837 7.787 0.050 1
1 1028 . 9 1 1 A 90 90 ALA CA C 90 55.646 55.436 0.210 1
1 1029 . 9 1 1 A 90 90 ALA HA H 90 3.914 4.012 -0.098 1
1 1030 . 9 1 1 A 90 90 ALA CB C 90 17.722 18.550 -0.828 1
1 1034 . 9 1 1 A 90 90 ALA C C 90 180.692 179.817 0.875 1
1 1035 . 9 1 1 A 91 91 VAL N N 91 117.181 118.246 -1.065 1
1 1036 . 9 1 1 A 91 91 VAL H H 91 7.475 8.196 -0.721 1
1 1037 . 9 1 1 A 91 91 VAL CA C 91 65.880 66.489 -0.609 1
1 1038 . 9 1 1 A 91 91 VAL HA H 91 3.662 3.563 0.099 1
1 1039 . 9 1 1 A 91 91 VAL CB C 91 32.018 31.591 0.427 1
1 1049 . 9 1 1 A 91 91 VAL C C 91 178.708 178.180 0.528 1
1 1050 . 9 1 1 A 92 92 HIS N N 92 121.501 118.841 2.660 1
1 1051 . 9 1 1 A 92 92 HIS H H 92 7.625 8.192 -0.567 1
1 1052 . 9 1 1 A 92 92 HIS CA C 92 59.553 59.744 -0.191 1
1 1053 . 9 1 1 A 92 92 HIS HA H 92 4.095 4.025 0.070 1
1 1054 . 9 1 1 A 92 92 HIS CB C 92 28.040 29.539 -1.499 1
1 1061 . 9 1 1 A 92 92 HIS C C 92 176.518 176.504 0.014 1
1 1062 . 9 1 1 A 93 93 LYS N N 93 116.162 117.002 -0.840 1
1 1063 . 9 1 1 A 93 93 LYS H H 93 8.372 8.029 0.343 1
1 1064 . 9 1 1 A 93 93 LYS CA C 93 60.253 59.558 0.695 1
1 1065 . 9 1 1 A 93 93 LYS HA H 93 3.732 3.632 0.100 1
1 1066 . 9 1 1 A 93 93 LYS CB C 93 32.158 32.330 -0.172 1
1 1078 . 9 1 1 A 93 93 LYS C C 93 179.211 178.256 0.955 1
1 1079 . 9 1 1 A 94 94 THR N N 94 111.607 112.776 -1.169 1
1 1080 . 9 1 1 A 94 94 THR H H 94 7.434 8.276 -0.842 1
1 1081 . 9 1 1 A 94 94 THR CA C 94 65.106 65.649 -0.543 1
1 1082 . 9 1 1 A 94 94 THR HA H 94 4.034 3.996 0.038 1
1 1083 . 9 1 1 A 94 94 THR CB C 94 69.075 68.085 0.990 1
1 1089 . 9 1 1 A 94 94 THR C C 94 176.406 176.974 -0.568 1
1 1090 . 9 1 1 A 95 95 LEU N N 95 121.689 122.879 -1.190 1
1 1091 . 9 1 1 A 95 95 LEU H H 95 7.725 7.910 -0.185 1
1 1092 . 9 1 1 A 95 95 LEU CA C 95 56.680 57.941 -1.261 1
1 1093 . 9 1 1 A 95 95 LEU HA H 95 4.020 3.877 0.143 1
1 1094 . 9 1 1 A 95 95 LEU CB C 95 41.186 41.661 -0.475 1
1 1107 . 9 1 1 A 95 95 LEU C C 95 178.956 177.881 1.075 1
1 1108 . 9 1 1 A 96 96 HIS N N 96 114.750 114.367 0.383 1
1 1109 . 9 1 1 A 96 96 HIS H H 96 7.160 7.896 -0.736 1
1 1110 . 9 1 1 A 96 96 HIS CA C 96 55.206 54.590 0.616 1
1 1111 . 9 1 1 A 96 96 HIS HA H 96 4.730 4.704 0.026 1
1 1112 . 9 1 1 A 96 96 HIS CB C 96 28.687 27.543 1.144 1
1 1119 . 9 1 1 A 96 96 HIS C C 96 175.230 174.319 0.911 1
1 1120 . 9 1 1 A 97 97 MET N N 97 118.984 117.747 1.237 1
1 1121 . 9 1 1 A 97 97 MET H H 97 7.626 7.271 0.355 1
1 1122 . 9 1 1 A 97 97 MET CA C 97 55.995 54.682 1.313 1
1 1123 . 9 1 1 A 97 97 MET HA H 97 4.424 4.926 -0.502 1
1 1124 . 9 1 1 A 97 97 MET CB C 97 33.065 37.517 -4.452 1
1 1134 . 9 1 1 A 97 97 MET C C 97 176.174 174.551 1.623 1
1 1135 . 9 1 1 A 98 98 GLN N N 98 120.828 121.710 -0.882 1
1 1136 . 9 1 1 A 98 98 GLN H H 98 8.271 8.383 -0.112 1
1 1137 . 9 1 1 A 98 98 GLN CA C 98 55.951 54.631 1.320 1
1 1138 . 9 1 1 A 98 98 GLN HA H 98 4.382 4.831 -0.449 1
1 1139 . 9 1 1 A 98 98 GLN CB C 98 29.364 30.416 -1.052 1
1 1148 . 9 1 1 A 98 98 GLN C C 98 176.242 175.854 0.388 1
1 1149 . 9 1 1 A 99 99 THR N N 99 114.965 118.787 -3.822 1
1 1150 . 9 1 1 A 99 99 THR H H 99 8.200 8.643 -0.443 1
1 1151 . 9 1 1 A 99 99 THR CA C 99 61.773 62.063 -0.290 1
1 1152 . 9 1 1 A 99 99 THR HA H 99 4.374 4.610 -0.236 1
1 1153 . 9 1 1 A 99 99 THR CB C 99 69.654 68.109 1.545 1
1 1159 . 9 1 1 A 99 99 THR C C 99 174.491 173.610 0.881 1
1 1160 . 9 1 1 A 100 100 SER N N 100 118.047 122.738 -4.691 1
1 1161 . 9 1 1 A 100 100 SER H H 100 8.311 8.435 -0.124 1
1 1162 . 9 1 1 A 100 100 SER CA C 100 58.240 58.371 -0.131 1
1 1163 . 9 1 1 A 100 100 SER HA H 100 4.493 4.924 -0.431 1
1 1164 . 9 1 1 A 100 100 SER CB C 100 63.843 63.862 -0.019 1
1 1167 . 9 1 1 A 100 100 SER C C 100 174.152 174.102 0.050 1
1 1168 . 9 1 1 A 101 101 SER N N 101 118.812 121.756 -2.944 1
1 1169 . 9 1 1 A 101 101 SER H H 101 8.358 8.796 -0.438 1
1 1170 . 9 1 1 A 101 101 SER CA C 101 56.348 55.492 0.856 1
1 1171 . 9 1 1 A 101 101 SER HA H 101 4.773 4.906 -0.133 1
1 1172 . 9 1 1 A 101 101 SER CB C 101 63.554 65.630 -2.076 1
1 1175 . 9 1 1 A 101 101 SER C C 101 172.898 171.656 1.242 1
1 1176 . 9 1 1 A 102 102 PRO CA C 102 63.453 62.628 0.825 1
1 1177 . 9 1 1 A 102 102 PRO HA H 102 4.485 4.706 -0.221 1
1 1178 . 9 1 1 A 102 102 PRO CB C 102 32.126 32.584 -0.458 1
1 1187 . 9 1 1 A 102 102 PRO C C 102 177.181 175.231 1.950 1
1 1188 . 9 1 1 A 103 103 THR N N 103 114.257 116.481 -2.224 1
1 1189 . 9 1 1 A 103 103 THR H H 103 8.188 8.621 -0.433 1
1 1190 . 9 1 1 A 103 103 THR CA C 103 61.748 59.916 1.832 1
1 1191 . 9 1 1 A 103 103 THR HA H 103 4.273 4.910 -0.637 1
1 1192 . 9 1 1 A 103 103 THR CB C 103 69.833 72.093 -2.260 1
1 1198 . 9 1 1 A 103 103 THR C C 103 174.258 173.552 0.706 1
1 1199 . 9 1 1 A 104 104 ALA N N 104 126.872 126.098 0.774 1
1 1200 . 9 1 1 A 104 104 ALA H H 104 8.240 8.476 -0.236 1
1 1201 . 9 1 1 A 104 104 ALA CA C 104 52.369 52.913 -0.544 1
1 1202 . 9 1 1 A 104 104 ALA HA H 104 4.316 3.859 0.457 1
1 1203 . 9 1 1 A 104 104 ALA CB C 104 19.417 17.319 2.098 1
1 1207 . 9 1 1 A 104 104 ALA C C 104 177.129 176.748 0.381 1
1 1208 . 9 1 1 A 105 105 ALA N N 105 124.353 118.961 5.392 1
1 1209 . 9 1 1 A 105 105 ALA H H 105 8.312 7.490 0.822 1
1 1210 . 9 1 1 A 105 105 ALA CA C 105 52.408 52.674 -0.266 1
1 1211 . 9 1 1 A 105 105 ALA HA H 105 4.327 4.242 0.085 1
1 1212 . 9 1 1 A 105 105 ALA CB C 105 19.416 20.098 -0.682 1
1 1216 . 9 1 1 A 105 105 ALA C C 105 176.902 178.383 -1.481 1
1 1 . 10 1 1 A 8 8 GLY CA C 8 45.171 44.058 1.113 1
1 2 . 10 1 1 A 8 8 GLY HA2 H 8 3.976 4.267 -0.291 1
1 3 . 10 1 1 A 8 8 GLY HA3 H 8 3.976 4.268 -0.292 1
1 4 . 10 1 1 A 8 8 GLY C C 8 173.956 172.591 1.365 1
1 5 . 10 1 1 A 9 9 ARG N N 9 120.445 120.051 0.394 1
1 6 . 10 1 1 A 9 9 ARG H H 9 8.126 8.319 -0.193 1
1 7 . 10 1 1 A 9 9 ARG CA C 9 55.873 56.166 -0.293 1
1 8 . 10 1 1 A 9 9 ARG HA H 9 4.318 4.593 -0.275 1
1 9 . 10 1 1 A 9 9 ARG CB C 9 30.899 30.878 0.021 1
1 18 . 10 1 1 A 9 9 ARG C C 9 176.192 175.715 0.477 1
1 19 . 10 1 1 A 10 10 LEU N N 10 125.156 125.414 -0.258 1
1 20 . 10 1 1 A 10 10 LEU H H 10 8.357 8.372 -0.015 1
1 21 . 10 1 1 A 10 10 LEU CA C 10 53.058 51.330 1.728 1
1 22 . 10 1 1 A 10 10 LEU HA H 10 4.589 4.864 -0.275 1
1 23 . 10 1 1 A 10 10 LEU CB C 10 41.599 45.421 -3.822 1
1 36 . 10 1 1 A 10 10 LEU C C 10 175.327 174.927 0.400 1
1 37 . 10 1 1 A 11 11 PRO CA C 11 63.064 62.411 0.653 1
1 38 . 10 1 1 A 11 11 PRO HA H 11 4.416 4.671 -0.255 1
1 39 . 10 1 1 A 11 11 PRO CB C 11 32.095 33.066 -0.971 1
1 48 . 10 1 1 A 13 13 LYS CA C 13 56.353 57.829 -1.476 1
1 49 . 10 1 1 A 13 13 LYS HA H 13 4.383 4.385 -0.002 1
1 50 . 10 1 1 A 13 13 LYS CB C 13 33.019 33.282 -0.263 1
1 62 . 10 1 1 A 13 13 LYS C C 13 176.694 176.555 0.139 1
1 63 . 10 1 1 A 14 14 THR N N 14 115.691 110.028 5.663 1
1 64 . 10 1 1 A 14 14 THR H H 14 8.140 7.748 0.392 1
1 65 . 10 1 1 A 14 14 THR CA C 14 61.919 59.906 2.013 1
1 66 . 10 1 1 A 14 14 THR HA H 14 4.265 4.835 -0.570 1
1 67 . 10 1 1 A 14 14 THR CB C 14 69.860 71.406 -1.546 1
1 73 . 10 1 1 A 14 14 THR C C 14 174.261 172.986 1.275 1
1 74 . 10 1 1 A 15 15 LYS N N 15 124.645 122.809 1.836 1
1 75 . 10 1 1 A 15 15 LYS H H 15 8.323 8.918 -0.595 1
1 76 . 10 1 1 A 15 15 LYS CA C 15 56.226 54.393 1.833 1
1 77 . 10 1 1 A 15 15 LYS HA H 15 4.278 5.016 -0.738 1
1 78 . 10 1 1 A 15 15 LYS CB C 15 33.220 35.658 -2.438 1
1 90 . 10 1 1 A 15 15 LYS C C 15 175.921 176.100 -0.179 1
1 91 . 10 1 1 A 16 16 LYS N N 16 123.830 123.445 0.385 1
1 92 . 10 1 1 A 16 16 LYS H H 16 8.332 8.539 -0.207 1
1 93 . 10 1 1 A 16 16 LYS CA C 16 55.966 56.215 -0.249 1
1 94 . 10 1 1 A 16 16 LYS HA H 16 4.192 4.375 -0.183 1
1 95 . 10 1 1 A 16 16 LYS CB C 16 33.028 32.612 0.416 1
1 107 . 10 1 1 A 16 16 LYS C C 16 175.334 175.396 -0.062 1
1 108 . 10 1 1 A 17 17 GLU N N 17 121.077 116.948 4.129 1
1 109 . 10 1 1 A 17 17 GLU H H 17 7.931 7.613 0.318 1
1 110 . 10 1 1 A 17 17 GLU CA C 17 55.463 54.183 1.280 1
1 111 . 10 1 1 A 17 17 GLU HA H 17 4.300 4.601 -0.301 1
1 112 . 10 1 1 A 17 17 GLU CB C 17 31.984 34.227 -2.243 1
1 118 . 10 1 1 A 17 17 GLU C C 17 174.646 175.163 -0.517 1
1 119 . 10 1 1 A 18 18 PHE N N 18 121.605 118.264 3.341 1
1 120 . 10 1 1 A 18 18 PHE H H 18 8.560 8.734 -0.174 1
1 121 . 10 1 1 A 18 18 PHE CA C 18 56.963 57.392 -0.429 1
1 122 . 10 1 1 A 18 18 PHE HA H 18 4.675 5.055 -0.380 1
1 123 . 10 1 1 A 18 18 PHE CB C 18 39.653 41.255 -1.602 1
1 134 . 10 1 1 A 18 18 PHE C C 18 173.933 175.515 -1.582 1
1 135 . 10 1 1 A 19 19 ILE N N 19 123.977 120.444 3.533 1
1 136 . 10 1 1 A 19 19 ILE H H 19 8.425 8.832 -0.407 1
1 137 . 10 1 1 A 19 19 ILE CA C 19 59.740 59.622 0.118 1
1 138 . 10 1 1 A 19 19 ILE HA H 19 4.654 4.907 -0.253 1
1 139 . 10 1 1 A 19 19 ILE CB C 19 41.000 41.471 -0.471 1
1 152 . 10 1 1 A 19 19 ILE C C 19 175.584 175.067 0.517 1
1 153 . 10 1 1 A 20 20 CYS N N 20 129.741 127.264 2.477 1
1 154 . 10 1 1 A 20 20 CYS H H 20 9.224 8.952 0.272 1
1 155 . 10 1 1 A 20 20 CYS CA C 20 59.974 59.419 0.555 1
1 156 . 10 1 1 A 20 20 CYS HA H 20 4.827 4.471 0.356 1
1 157 . 10 1 1 A 20 20 CYS CB C 20 30.335 29.086 1.249 1
1 160 . 10 1 1 A 20 20 CYS C C 20 178.043 175.634 2.409 1
1 161 . 10 1 1 A 21 21 LYS N N 21 132.598 122.662 9.936 1
1 162 . 10 1 1 A 21 21 LYS H H 21 9.473 8.549 0.924 1
1 163 . 10 1 1 A 21 21 LYS CA C 21 58.099 56.965 1.134 1
1 164 . 10 1 1 A 21 21 LYS HA H 21 4.104 4.497 -0.393 1
1 165 . 10 1 1 A 21 21 LYS CB C 21 31.695 33.864 -2.169 1
1 177 . 10 1 1 A 21 21 LYS C C 21 175.765 178.615 -2.850 1
1 178 . 10 1 1 A 22 22 PHE N N 22 121.000 118.542 2.458 1
1 179 . 10 1 1 A 22 22 PHE H H 22 9.158 8.371 0.787 1
1 180 . 10 1 1 A 22 22 PHE CA C 22 59.743 59.541 0.202 1
1 181 . 10 1 1 A 22 22 PHE HA H 22 4.394 4.262 0.132 1
1 182 . 10 1 1 A 22 22 PHE CB C 22 37.953 37.484 0.469 1
1 195 . 10 1 1 A 22 22 PHE C C 22 176.819 177.515 -0.696 1
1 196 . 10 1 1 A 23 23 CYS N N 23 115.955 113.830 2.125 1
1 197 . 10 1 1 A 23 23 CYS H H 23 8.410 8.132 0.278 1
1 198 . 10 1 1 A 23 23 CYS CA C 23 58.486 59.681 -1.195 1
1 199 . 10 1 1 A 23 23 CYS HA H 23 5.262 4.698 0.564 1
1 200 . 10 1 1 A 23 23 CYS CB C 23 33.092 30.089 3.003 1
1 203 . 10 1 1 A 23 23 CYS C C 23 176.770 175.860 0.910 1
1 204 . 10 1 1 A 24 24 GLY N N 24 112.575 111.270 1.305 1
1 205 . 10 1 1 A 24 24 GLY H H 24 8.092 8.341 -0.249 1
1 206 . 10 1 1 A 24 24 GLY CA C 24 46.302 46.327 -0.025 1
1 207 . 10 1 1 A 24 24 GLY HA2 H 24 4.238 3.962 0.276 1
1 208 . 10 1 1 A 24 24 GLY HA3 H 24 3.776 3.969 -0.193 1
1 209 . 10 1 1 A 24 24 GLY C C 24 173.621 174.631 -1.010 1
1 210 . 10 1 1 A 25 25 ARG N N 25 122.678 120.993 1.685 1
1 211 . 10 1 1 A 25 25 ARG H H 25 8.079 7.856 0.223 1
1 212 . 10 1 1 A 25 25 ARG CA C 25 58.063 55.039 3.024 1
1 213 . 10 1 1 A 25 25 ARG HA H 25 4.096 4.690 -0.594 1
1 214 . 10 1 1 A 25 25 ARG CB C 25 31.628 31.830 -0.202 1
1 223 . 10 1 1 A 25 25 ARG C C 25 174.641 175.247 -0.606 1
1 224 . 10 1 1 A 26 26 HIS N N 26 121.510 123.864 -2.354 1
1 225 . 10 1 1 A 26 26 HIS H H 26 8.454 9.027 -0.573 1
1 226 . 10 1 1 A 26 26 HIS CA C 26 55.553 55.376 0.177 1
1 227 . 10 1 1 A 26 26 HIS HA H 26 5.166 5.378 -0.212 1
1 228 . 10 1 1 A 26 26 HIS CB C 26 32.066 32.255 -0.189 1
1 235 . 10 1 1 A 26 26 HIS C C 26 174.732 174.647 0.085 1
1 236 . 10 1 1 A 27 27 PHE N N 27 119.065 119.526 -0.461 1
1 237 . 10 1 1 A 27 27 PHE H H 27 9.035 8.968 0.067 1
1 238 . 10 1 1 A 27 27 PHE CA C 27 57.515 56.701 0.814 1
1 239 . 10 1 1 A 27 27 PHE HA H 27 4.724 4.898 -0.174 1
1 240 . 10 1 1 A 27 27 PHE CB C 27 43.276 43.428 -0.152 1
1 253 . 10 1 1 A 27 27 PHE C C 27 175.205 175.841 -0.636 1
1 254 . 10 1 1 A 28 28 THR CA C 28 62.856 64.271 -1.415 1
1 255 . 10 1 1 A 28 28 THR HA H 28 4.691 4.402 0.289 1
1 256 . 10 1 1 A 28 28 THR CB C 28 69.897 69.475 0.422 1
1 262 . 10 1 1 A 28 28 THR C C 28 174.714 174.632 0.082 1
1 263 . 10 1 1 A 29 29 LYS N N 29 118.993 118.409 0.584 1
1 264 . 10 1 1 A 29 29 LYS H H 29 7.456 7.519 -0.063 1
1 265 . 10 1 1 A 29 29 LYS CA C 29 54.239 54.596 -0.357 1
1 266 . 10 1 1 A 29 29 LYS HA H 29 4.573 4.838 -0.265 1
1 267 . 10 1 1 A 29 29 LYS CB C 29 35.412 35.145 0.267 1
1 279 . 10 1 1 A 29 29 LYS C C 29 176.395 177.027 -0.632 1
1 280 . 10 1 1 A 30 30 SER CA C 30 60.921 62.339 -1.418 1
1 281 . 10 1 1 A 30 30 SER HA H 30 3.025 4.340 -1.315 1
1 282 . 10 1 1 A 30 30 SER CB C 30 61.703 62.644 -0.941 1
1 285 . 10 1 1 A 31 31 TYR CA C 31 60.807 62.341 -1.534 1
1 286 . 10 1 1 A 31 31 TYR HA H 31 4.101 4.067 0.034 1
1 287 . 10 1 1 A 31 31 TYR CB C 31 38.408 38.827 -0.419 1
1 298 . 10 1 1 A 31 31 TYR C C 31 176.455 177.327 -0.872 1
1 299 . 10 1 1 A 32 32 ASN N N 32 114.304 118.353 -4.049 1
1 300 . 10 1 1 A 32 32 ASN H H 32 6.481 8.493 -2.012 1
1 301 . 10 1 1 A 32 32 ASN CA C 32 55.198 56.839 -1.641 1
1 302 . 10 1 1 A 32 32 ASN HA H 32 4.283 4.631 -0.348 1
1 303 . 10 1 1 A 32 32 ASN CB C 32 37.912 40.012 -2.100 1
1 309 . 10 1 1 A 32 32 ASN C C 32 177.633 177.568 0.065 1
1 310 . 10 1 1 A 33 33 LEU N N 33 121.854 120.443 1.411 1
1 311 . 10 1 1 A 33 33 LEU H H 33 7.002 7.741 -0.739 1
1 312 . 10 1 1 A 33 33 LEU CA C 33 57.820 58.013 -0.193 1
1 313 . 10 1 1 A 33 33 LEU HA H 33 2.922 2.686 0.236 1
1 314 . 10 1 1 A 33 33 LEU CB C 33 40.350 41.297 -0.947 1
1 327 . 10 1 1 A 33 33 LEU C C 33 176.900 178.084 -1.184 1
1 328 . 10 1 1 A 34 34 LEU N N 34 120.140 116.589 3.551 1
1 329 . 10 1 1 A 34 34 LEU H H 34 7.795 7.720 0.075 1
1 330 . 10 1 1 A 34 34 LEU CA C 34 58.506 57.985 0.521 1
1 331 . 10 1 1 A 34 34 LEU HA H 34 3.933 3.947 -0.014 1
1 332 . 10 1 1 A 34 34 LEU CB C 34 41.523 41.524 -0.001 1
1 345 . 10 1 1 A 34 34 LEU C C 34 179.914 179.080 0.834 1
1 346 . 10 1 1 A 35 35 ILE N N 35 116.693 120.228 -3.535 1
1 347 . 10 1 1 A 35 35 ILE H H 35 7.368 8.128 -0.760 1
1 348 . 10 1 1 A 35 35 ILE CA C 35 63.641 65.381 -1.740 1
1 349 . 10 1 1 A 35 35 ILE HA H 35 3.533 3.633 -0.100 1
1 350 . 10 1 1 A 35 35 ILE CB C 35 37.380 38.004 -0.624 1
1 363 . 10 1 1 A 35 35 ILE C C 35 178.700 178.700 0.000 1
1 364 . 10 1 1 A 36 36 HIS N N 36 119.039 119.844 -0.805 1
1 365 . 10 1 1 A 36 36 HIS H H 36 7.424 8.166 -0.742 1
1 366 . 10 1 1 A 36 36 HIS CA C 36 59.486 59.760 -0.274 1
1 367 . 10 1 1 A 36 36 HIS HA H 36 4.282 4.334 -0.052 1
1 368 . 10 1 1 A 36 36 HIS CB C 36 28.563 30.090 -1.527 1
1 375 . 10 1 1 A 36 36 HIS C C 36 178.907 177.286 1.621 1
1 376 . 10 1 1 A 37 37 GLU N N 37 122.627 117.153 5.474 1
1 377 . 10 1 1 A 37 37 GLU H H 37 9.459 8.318 1.141 1
1 378 . 10 1 1 A 37 37 GLU CA C 37 61.473 59.783 1.690 1
1 379 . 10 1 1 A 37 37 GLU HA H 37 3.922 3.725 0.197 1
1 380 . 10 1 1 A 37 37 GLU CB C 37 30.028 29.244 0.784 1
1 386 . 10 1 1 A 37 37 GLU C C 37 178.840 179.136 -0.296 1
1 387 . 10 1 1 A 38 38 ARG N N 38 116.143 119.990 -3.847 1
1 388 . 10 1 1 A 38 38 ARG H H 38 7.244 7.395 -0.151 1
1 389 . 10 1 1 A 38 38 ARG CA C 38 58.258 59.206 -0.948 1
1 390 . 10 1 1 A 38 38 ARG HA H 38 4.129 4.028 0.101 1
1 391 . 10 1 1 A 38 38 ARG CB C 38 30.054 29.786 0.268 1
1 400 . 10 1 1 A 38 38 ARG C C 38 177.863 178.927 -1.064 1
1 401 . 10 1 1 A 39 39 THR N N 39 109.313 112.815 -3.502 1
1 402 . 10 1 1 A 39 39 THR H H 39 7.639 8.378 -0.739 1
1 403 . 10 1 1 A 39 39 THR CA C 39 63.892 65.698 -1.806 1
1 404 . 10 1 1 A 39 39 THR HA H 39 4.075 3.931 0.144 1
1 405 . 10 1 1 A 39 39 THR CB C 39 69.337 68.038 1.299 1
1 411 . 10 1 1 A 39 39 THR C C 39 175.843 176.777 -0.934 1
1 412 . 10 1 1 A 40 40 HIS N N 40 119.019 119.854 -0.835 1
1 413 . 10 1 1 A 40 40 HIS H H 40 7.046 7.517 -0.471 1
1 414 . 10 1 1 A 40 40 HIS CA C 40 55.942 59.002 -3.060 1
1 415 . 10 1 1 A 40 40 HIS HA H 40 4.410 3.984 0.426 1
1 416 . 10 1 1 A 40 40 HIS CB C 40 27.446 29.417 -1.971 1
1 423 . 10 1 1 A 40 40 HIS C C 40 175.528 177.536 -2.008 1
1 424 . 10 1 1 A 41 41 THR N N 41 111.847 113.357 -1.510 1
1 425 . 10 1 1 A 41 41 THR H H 41 7.579 8.021 -0.442 1
1 426 . 10 1 1 A 41 41 THR CA C 41 62.200 65.362 -3.162 1
1 427 . 10 1 1 A 41 41 THR HA H 41 4.152 4.014 0.138 1
1 428 . 10 1 1 A 41 41 THR CB C 41 69.440 68.344 1.096 1
1 434 . 10 1 1 A 41 41 THR C C 41 174.484 174.570 -0.086 1
1 435 . 10 1 1 A 42 42 ASP N N 42 122.207 120.113 2.094 1
1 436 . 10 1 1 A 42 42 ASP H H 42 8.191 7.672 0.519 1
1 437 . 10 1 1 A 42 42 ASP CA C 42 54.373 52.769 1.604 1
1 438 . 10 1 1 A 42 42 ASP HA H 42 4.524 4.848 -0.324 1
1 439 . 10 1 1 A 42 42 ASP CB C 42 41.045 42.182 -1.137 1
1 442 . 10 1 1 A 42 42 ASP C C 42 175.869 176.660 -0.791 1
1 443 . 10 1 1 A 43 43 GLU N N 43 120.562 124.877 -4.315 1
1 444 . 10 1 1 A 43 43 GLU H H 43 8.064 8.788 -0.724 1
1 445 . 10 1 1 A 43 43 GLU CA C 43 57.378 59.755 -2.377 1
1 446 . 10 1 1 A 43 43 GLU HA H 43 4.098 3.952 0.146 1
1 447 . 10 1 1 A 43 43 GLU CB C 43 30.262 29.595 0.667 1
1 453 . 10 1 1 A 43 43 GLU C C 43 176.313 176.528 -0.215 1
1 454 . 10 1 1 A 44 44 ARG N N 44 120.015 116.357 3.658 1
1 455 . 10 1 1 A 44 44 ARG H H 44 8.190 7.878 0.312 1
1 456 . 10 1 1 A 44 44 ARG CA C 44 53.266 56.704 -3.438 1
1 457 . 10 1 1 A 44 44 ARG HA H 44 4.533 4.074 0.459 1
1 458 . 10 1 1 A 44 44 ARG CB C 44 30.702 28.180 2.522 1
1 467 . 10 1 1 A 44 44 ARG C C 44 173.360 176.878 -3.518 1
1 468 . 10 1 1 A 45 45 PRO CA C 45 63.459 64.804 -1.345 1
1 469 . 10 1 1 A 45 45 PRO HA H 45 4.298 4.452 -0.154 1
1 470 . 10 1 1 A 45 45 PRO CB C 45 32.219 31.505 0.714 1
1 479 . 10 1 1 A 45 45 PRO C C 45 176.492 175.725 0.767 1
1 480 . 10 1 1 A 46 46 TYR N N 46 119.184 117.991 1.193 1
1 481 . 10 1 1 A 46 46 TYR H H 46 7.840 7.731 0.109 1
1 482 . 10 1 1 A 46 46 TYR CA C 46 57.533 56.956 0.577 1
1 483 . 10 1 1 A 46 46 TYR HA H 46 4.757 4.694 0.063 1
1 484 . 10 1 1 A 46 46 TYR CB C 46 38.646 37.747 0.899 1
1 495 . 10 1 1 A 46 46 TYR C C 46 175.414 175.529 -0.115 1
1 496 . 10 1 1 A 47 47 THR N N 47 117.631 119.271 -1.640 1
1 497 . 10 1 1 A 47 47 THR H H 47 8.607 8.551 0.056 1
1 498 . 10 1 1 A 47 47 THR CA C 47 60.593 61.099 -0.506 1
1 499 . 10 1 1 A 47 47 THR HA H 47 5.130 5.249 -0.119 1
1 500 . 10 1 1 A 47 47 THR CB C 47 71.076 71.379 -0.303 1
1 506 . 10 1 1 A 47 47 THR C C 47 173.697 173.639 0.058 1
1 507 . 10 1 1 A 48 48 CYS N N 48 127.009 126.042 0.967 1
1 508 . 10 1 1 A 48 48 CYS H H 48 9.072 8.594 0.478 1
1 509 . 10 1 1 A 48 48 CYS CA C 48 60.153 59.020 1.133 1
1 510 . 10 1 1 A 48 48 CYS HA H 48 4.422 4.565 -0.143 1
1 511 . 10 1 1 A 48 48 CYS CB C 48 29.832 28.836 0.996 1
1 514 . 10 1 1 A 48 48 CYS C C 48 176.023 174.727 1.296 1
1 515 . 10 1 1 A 49 49 ASP N N 49 129.691 123.882 5.809 1
1 516 . 10 1 1 A 49 49 ASP H H 49 9.129 9.213 -0.084 1
1 517 . 10 1 1 A 49 49 ASP CA C 49 55.499 55.933 -0.434 1
1 518 . 10 1 1 A 49 49 ASP HA H 49 4.353 4.638 -0.285 1
1 519 . 10 1 1 A 49 49 ASP CB C 49 39.656 42.792 -3.136 1
1 522 . 10 1 1 A 49 49 ASP C C 49 175.094 176.642 -1.548 1
1 523 . 10 1 1 A 50 50 ILE N N 50 121.649 116.682 4.967 1
1 524 . 10 1 1 A 50 50 ILE H H 50 8.661 7.620 1.041 1
1 525 . 10 1 1 A 50 50 ILE CA C 50 62.888 62.909 -0.021 1
1 526 . 10 1 1 A 50 50 ILE HA H 50 3.837 4.222 -0.385 1
1 527 . 10 1 1 A 50 50 ILE CB C 50 38.652 38.238 0.414 1
1 540 . 10 1 1 A 50 50 ILE C C 50 176.439 177.945 -1.506 1
1 541 . 10 1 1 A 51 51 CYS N N 51 116.341 117.882 -1.541 1
1 542 . 10 1 1 A 51 51 CYS H H 51 7.973 8.053 -0.080 1
1 543 . 10 1 1 A 51 51 CYS CA C 51 58.192 60.195 -2.003 1
1 544 . 10 1 1 A 51 51 CYS HA H 51 4.922 4.453 0.469 1
1 545 . 10 1 1 A 51 51 CYS CB C 51 32.086 27.984 4.102 1
1 548 . 10 1 1 A 51 51 CYS C C 51 175.814 175.089 0.725 1
1 549 . 10 1 1 A 52 52 HIS N N 52 116.961 115.520 1.441 1
1 550 . 10 1 1 A 52 52 HIS H H 52 7.714 8.309 -0.595 1
1 551 . 10 1 1 A 52 52 HIS CA C 52 58.187 56.379 1.808 1
1 552 . 10 1 1 A 52 52 HIS HA H 52 4.521 4.209 0.312 1
1 553 . 10 1 1 A 52 52 HIS CB C 52 27.079 27.064 0.015 1
1 560 . 10 1 1 A 52 52 HIS C C 52 174.215 174.497 -0.282 1
1 561 . 10 1 1 A 53 53 LYS N N 53 122.651 118.526 4.125 1
1 562 . 10 1 1 A 53 53 LYS H H 53 7.902 8.179 -0.277 1
1 563 . 10 1 1 A 53 53 LYS CA C 53 58.205 55.866 2.339 1
1 564 . 10 1 1 A 53 53 LYS HA H 53 4.051 4.200 -0.149 1
1 565 . 10 1 1 A 53 53 LYS CB C 53 33.868 33.348 0.520 1
1 577 . 10 1 1 A 53 53 LYS C C 53 173.816 175.934 -2.118 1
1 578 . 10 1 1 A 54 54 ALA N N 54 124.589 122.337 2.252 1
1 579 . 10 1 1 A 54 54 ALA H H 54 7.885 8.525 -0.640 1
1 580 . 10 1 1 A 54 54 ALA CA C 54 50.573 50.182 0.391 1
1 581 . 10 1 1 A 54 54 ALA HA H 54 5.098 5.521 -0.423 1
1 582 . 10 1 1 A 54 54 ALA CB C 54 22.290 20.748 1.542 1
1 586 . 10 1 1 A 54 54 ALA C C 54 176.763 176.401 0.362 1
1 587 . 10 1 1 A 55 55 PHE N N 55 117.946 119.629 -1.683 1
1 588 . 10 1 1 A 55 55 PHE H H 55 9.044 9.027 0.017 1
1 589 . 10 1 1 A 55 55 PHE CA C 55 57.320 56.979 0.341 1
1 590 . 10 1 1 A 55 55 PHE HA H 55 4.724 4.956 -0.232 1
1 591 . 10 1 1 A 55 55 PHE CB C 55 43.710 42.855 0.855 1
1 604 . 10 1 1 A 55 55 PHE C C 55 175.251 175.884 -0.633 1
1 605 . 10 1 1 A 56 56 ARG N N 56 119.843 119.056 0.787 1
1 606 . 10 1 1 A 56 56 ARG H H 56 9.587 8.726 0.861 1
1 607 . 10 1 1 A 56 56 ARG CA C 56 58.117 57.462 0.655 1
1 608 . 10 1 1 A 56 56 ARG HA H 56 4.603 4.534 0.069 1
1 609 . 10 1 1 A 56 56 ARG CB C 56 31.741 31.446 0.295 1
1 618 . 10 1 1 A 56 56 ARG C C 56 176.201 176.260 -0.059 1
1 619 . 10 1 1 A 57 57 ARG N N 57 113.134 118.845 -5.711 1
1 620 . 10 1 1 A 57 57 ARG H H 57 7.273 7.635 -0.362 1
1 621 . 10 1 1 A 57 57 ARG CA C 57 53.978 53.646 0.332 1
1 622 . 10 1 1 A 57 57 ARG HA H 57 4.650 4.154 0.496 1
1 623 . 10 1 1 A 57 57 ARG CB C 57 34.701 32.266 2.435 1
1 632 . 10 1 1 A 57 57 ARG C C 57 176.296 175.805 0.491 1
1 633 . 10 1 1 A 58 58 GLN N N 58 124.070 121.987 2.083 1
1 634 . 10 1 1 A 58 58 GLN H H 58 8.583 8.454 0.129 1
1 635 . 10 1 1 A 58 58 GLN CA C 58 59.036 57.544 1.492 1
1 636 . 10 1 1 A 58 58 GLN HA H 58 3.004 4.008 -1.004 1
1 637 . 10 1 1 A 58 58 GLN CB C 58 28.229 29.291 -1.062 1
1 646 . 10 1 1 A 58 58 GLN C C 58 177.925 177.458 0.467 1
1 647 . 10 1 1 A 59 59 ASP CA C 59 56.406 57.131 -0.725 1
1 648 . 10 1 1 A 59 59 ASP HA H 59 4.046 4.242 -0.196 1
1 649 . 10 1 1 A 59 59 ASP CB C 59 38.248 41.065 -2.817 1
1 652 . 10 1 1 A 59 59 ASP C C 59 177.698 178.778 -1.080 1
1 653 . 10 1 1 A 60 60 HIS N N 60 119.173 118.213 0.960 1
1 654 . 10 1 1 A 60 60 HIS H H 60 6.954 7.427 -0.473 1
1 655 . 10 1 1 A 60 60 HIS CA C 60 56.843 59.359 -2.516 1
1 656 . 10 1 1 A 60 60 HIS HA H 60 4.432 4.283 0.149 1
1 657 . 10 1 1 A 60 60 HIS CB C 60 31.752 29.989 1.763 1
1 664 . 10 1 1 A 60 60 HIS C C 60 178.617 177.600 1.017 1
1 665 . 10 1 1 A 61 61 LEU N N 61 120.844 120.619 0.225 1
1 666 . 10 1 1 A 61 61 LEU H H 61 6.979 7.923 -0.944 1
1 667 . 10 1 1 A 61 61 LEU CA C 61 57.728 57.731 -0.003 1
1 668 . 10 1 1 A 61 61 LEU HA H 61 3.145 3.098 0.047 1
1 669 . 10 1 1 A 61 61 LEU CB C 61 40.153 41.209 -1.056 1
1 682 . 10 1 1 A 61 61 LEU C C 61 176.855 178.389 -1.534 1
1 683 . 10 1 1 A 62 62 ARG N N 62 120.225 119.419 0.806 1
1 684 . 10 1 1 A 62 62 ARG H H 62 8.012 8.523 -0.511 1
1 685 . 10 1 1 A 62 62 ARG CA C 62 59.526 59.836 -0.310 1
1 686 . 10 1 1 A 62 62 ARG HA H 62 3.724 3.944 -0.220 1
1 687 . 10 1 1 A 62 62 ARG CB C 62 29.388 29.974 -0.586 1
1 696 . 10 1 1 A 62 62 ARG C C 62 178.582 178.283 0.299 1
1 697 . 10 1 1 A 63 63 ASP N N 63 117.219 119.938 -2.719 1
1 698 . 10 1 1 A 63 63 ASP H H 63 7.823 7.747 0.076 1
1 699 . 10 1 1 A 63 63 ASP CA C 63 56.694 57.163 -0.469 1
1 700 . 10 1 1 A 63 63 ASP HA H 63 4.401 4.425 -0.024 1
1 701 . 10 1 1 A 63 63 ASP CB C 63 40.226 40.906 -0.680 1
1 704 . 10 1 1 A 63 63 ASP C C 63 178.560 178.537 0.023 1
1 705 . 10 1 1 A 64 64 HIS N N 64 119.185 119.452 -0.267 1
1 706 . 10 1 1 A 64 64 HIS H H 64 7.606 8.643 -1.037 1
1 707 . 10 1 1 A 64 64 HIS CA C 64 58.772 60.086 -1.314 1
1 708 . 10 1 1 A 64 64 HIS HA H 64 4.211 4.174 0.037 1
1 709 . 10 1 1 A 64 64 HIS CB C 64 28.533 29.883 -1.350 1
1 716 . 10 1 1 A 64 64 HIS C C 64 176.334 177.444 -1.110 1
1 717 . 10 1 1 A 65 65 ARG N N 65 116.490 118.717 -2.227 1
1 718 . 10 1 1 A 65 65 ARG H H 65 8.157 8.520 -0.363 1
1 719 . 10 1 1 A 65 65 ARG CA C 65 59.666 59.434 0.232 1
1 720 . 10 1 1 A 65 65 ARG HA H 65 3.576 4.358 -0.782 1
1 721 . 10 1 1 A 65 65 ARG CB C 65 29.958 29.982 -0.024 1
1 730 . 10 1 1 A 65 65 ARG C C 65 178.301 178.501 -0.200 1
1 731 . 10 1 1 A 66 66 TYR N N 66 117.286 118.861 -1.575 1
1 732 . 10 1 1 A 66 66 TYR H H 66 7.169 8.502 -1.333 1
1 733 . 10 1 1 A 66 66 TYR CA C 66 60.186 60.636 -0.450 1
1 734 . 10 1 1 A 66 66 TYR HA H 66 4.339 4.344 -0.005 1
1 735 . 10 1 1 A 66 66 TYR CB C 66 37.960 38.194 -0.234 1
1 746 . 10 1 1 A 66 66 TYR C C 66 178.191 178.729 -0.538 1
1 747 . 10 1 1 A 67 67 ILE N N 67 117.609 117.977 -0.368 1
1 748 . 10 1 1 A 67 67 ILE H H 67 7.883 8.230 -0.347 1
1 749 . 10 1 1 A 67 67 ILE CA C 67 63.440 63.810 -0.370 1
1 750 . 10 1 1 A 67 67 ILE HA H 67 3.836 3.912 -0.076 1
1 751 . 10 1 1 A 67 67 ILE CB C 67 37.482 37.214 0.268 1
1 764 . 10 1 1 A 67 67 ILE C C 67 177.511 176.139 1.372 1
1 765 . 10 1 1 A 68 68 HIS N N 68 116.764 121.552 -4.788 1
1 766 . 10 1 1 A 68 68 HIS H H 68 7.140 7.700 -0.560 1
1 767 . 10 1 1 A 68 68 HIS CA C 68 55.340 55.343 -0.003 1
1 768 . 10 1 1 A 68 68 HIS HA H 68 4.768 4.736 0.032 1
1 769 . 10 1 1 A 68 68 HIS CB C 68 28.687 30.906 -2.219 1
1 776 . 10 1 1 A 68 68 HIS C C 68 175.627 175.291 0.336 1
1 777 . 10 1 1 A 69 69 SER N N 69 114.870 119.414 -4.544 1
1 778 . 10 1 1 A 69 69 SER H H 69 7.731 8.929 -1.198 1
1 779 . 10 1 1 A 69 69 SER CA C 69 59.200 58.560 0.640 1
1 780 . 10 1 1 A 69 69 SER HA H 69 4.379 4.421 -0.042 1
1 781 . 10 1 1 A 69 69 SER CB C 69 63.765 63.364 0.401 1
1 784 . 10 1 1 A 69 69 SER C C 69 174.692 174.773 -0.081 1
1 785 . 10 1 1 A 70 70 LYS N N 70 121.978 125.073 -3.095 1
1 786 . 10 1 1 A 70 70 LYS H H 70 8.063 8.307 -0.244 1
1 787 . 10 1 1 A 70 70 LYS CA C 70 56.825 57.365 -0.540 1
1 788 . 10 1 1 A 70 70 LYS HA H 70 4.214 4.167 0.047 1
1 789 . 10 1 1 A 70 70 LYS CB C 70 32.539 32.882 -0.343 1
1 801 . 10 1 1 A 70 70 LYS C C 70 176.806 176.401 0.405 1
1 802 . 10 1 1 A 71 71 GLU N N 71 120.177 125.284 -5.107 1
1 803 . 10 1 1 A 71 71 GLU H H 71 8.008 9.085 -1.077 1
1 804 . 10 1 1 A 71 71 GLU CA C 71 56.472 57.704 -1.232 1
1 805 . 10 1 1 A 71 71 GLU HA H 71 4.191 4.445 -0.254 1
1 806 . 10 1 1 A 71 71 GLU CB C 71 29.335 31.777 -2.442 1
1 811 . 10 1 1 A 71 71 GLU C C 71 176.040 175.642 0.398 1
1 812 . 10 1 1 A 72 72 LYS N N 72 121.800 118.153 3.647 1
1 813 . 10 1 1 A 72 72 LYS H H 72 8.277 7.769 0.508 1
1 814 . 10 1 1 A 72 72 LYS CA C 72 53.820 52.939 0.881 1
1 815 . 10 1 1 A 72 72 LYS HA H 72 4.391 4.343 0.048 1
1 816 . 10 1 1 A 72 72 LYS CB C 72 32.139 32.548 -0.409 1
1 828 . 10 1 1 A 72 72 LYS C C 72 174.768 176.015 -1.247 1
1 829 . 10 1 1 A 73 73 PRO CA C 73 63.978 65.023 -1.045 1
1 830 . 10 1 1 A 73 73 PRO HA H 73 4.144 4.294 -0.150 1
1 831 . 10 1 1 A 73 73 PRO CB C 73 31.953 31.887 0.066 1
1 840 . 10 1 1 A 73 73 PRO C C 73 176.402 176.820 -0.418 1
1 841 . 10 1 1 A 74 74 PHE N N 74 117.425 114.516 2.909 1
1 842 . 10 1 1 A 74 74 PHE H H 74 7.686 7.548 0.138 1
1 843 . 10 1 1 A 74 74 PHE CA C 74 57.020 56.509 0.511 1
1 844 . 10 1 1 A 74 74 PHE HA H 74 4.691 4.517 0.174 1
1 845 . 10 1 1 A 74 74 PHE CB C 74 39.403 39.734 -0.331 1
1 856 . 10 1 1 A 74 74 PHE C C 74 174.442 174.660 -0.218 1
1 857 . 10 1 1 A 75 75 LYS N N 75 123.931 122.120 1.811 1
1 858 . 10 1 1 A 75 75 LYS H H 75 8.590 8.561 0.029 1
1 859 . 10 1 1 A 75 75 LYS CA C 75 54.951 55.075 -0.124 1
1 860 . 10 1 1 A 75 75 LYS HA H 75 5.021 4.763 0.258 1
1 861 . 10 1 1 A 75 75 LYS CB C 75 35.286 35.568 -0.282 1
1 873 . 10 1 1 A 75 75 LYS C C 75 175.465 174.959 0.506 1
1 874 . 10 1 1 A 76 76 CYS N N 76 126.279 124.954 1.325 1
1 875 . 10 1 1 A 76 76 CYS H H 76 9.149 8.826 0.323 1
1 876 . 10 1 1 A 76 76 CYS CA C 76 59.553 60.030 -0.477 1
1 877 . 10 1 1 A 76 76 CYS HA H 76 4.462 4.281 0.181 1
1 878 . 10 1 1 A 76 76 CYS CB C 76 29.772 29.073 0.699 1
1 881 . 10 1 1 A 76 76 CYS C C 76 177.367 175.533 1.834 1
1 882 . 10 1 1 A 77 77 GLN CA C 77 58.117 57.823 0.294 1
1 883 . 10 1 1 A 77 77 GLN HA H 77 4.130 4.240 -0.110 1
1 884 . 10 1 1 A 77 77 GLN CB C 77 28.479 28.832 -0.353 1
1 893 . 10 1 1 A 77 77 GLN C C 77 176.283 178.000 -1.717 1
1 894 . 10 1 1 A 78 78 GLU N N 78 120.320 119.137 1.183 1
1 895 . 10 1 1 A 78 78 GLU H H 78 8.682 8.453 0.229 1
1 896 . 10 1 1 A 78 78 GLU CA C 78 58.540 58.733 -0.193 1
1 897 . 10 1 1 A 78 78 GLU HA H 78 4.165 4.011 0.154 1
1 898 . 10 1 1 A 78 78 GLU CB C 78 29.469 28.532 0.937 1
1 904 . 10 1 1 A 78 78 GLU C C 78 177.275 178.390 -1.115 1
1 905 . 10 1 1 A 79 79 CYS N N 79 114.728 114.546 0.182 1
1 906 . 10 1 1 A 79 79 CYS H H 79 8.018 7.562 0.456 1
1 907 . 10 1 1 A 79 79 CYS CA C 79 58.271 59.352 -1.081 1
1 908 . 10 1 1 A 79 79 CYS HA H 79 5.142 4.761 0.381 1
1 909 . 10 1 1 A 79 79 CYS CB C 79 32.339 30.471 1.868 1
1 912 . 10 1 1 A 79 79 CYS C C 79 176.280 175.865 0.415 1
1 913 . 10 1 1 A 80 80 GLY N N 80 113.675 110.503 3.172 1
1 914 . 10 1 1 A 80 80 GLY H H 80 8.133 8.333 -0.200 1
1 915 . 10 1 1 A 80 80 GLY CA C 80 46.206 46.848 -0.642 1
1 916 . 10 1 1 A 80 80 GLY HA2 H 80 4.213 4.015 0.198 1
1 917 . 10 1 1 A 80 80 GLY HA3 H 80 3.755 4.090 -0.335 1
1 918 . 10 1 1 A 80 80 GLY C C 80 173.619 174.206 -0.587 1
1 919 . 10 1 1 A 81 81 LYS N N 81 122.811 116.297 6.514 1
1 920 . 10 1 1 A 81 81 LYS H H 81 7.945 8.119 -0.174 1
1 921 . 10 1 1 A 81 81 LYS CA C 81 58.211 54.761 3.450 1
1 922 . 10 1 1 A 81 81 LYS HA H 81 3.947 4.620 -0.673 1
1 923 . 10 1 1 A 81 81 LYS CB C 81 33.921 34.034 -0.113 1
1 935 . 10 1 1 A 81 81 LYS C C 81 174.639 175.910 -1.271 1
1 936 . 10 1 1 A 82 82 GLY N N 82 108.366 107.630 0.736 1
1 937 . 10 1 1 A 82 82 GLY H H 82 7.936 8.600 -0.664 1
1 938 . 10 1 1 A 82 82 GLY CA C 82 44.048 47.488 -3.440 1
1 939 . 10 1 1 A 82 82 GLY HA2 H 82 4.847 3.843 1.004 1
1 940 . 10 1 1 A 82 82 GLY HA3 H 82 3.291 3.871 -0.580 1
1 941 . 10 1 1 A 82 82 GLY C C 82 172.166 173.693 -1.527 1
1 942 . 10 1 1 A 83 83 PHE N N 83 117.822 123.121 -5.299 1
1 943 . 10 1 1 A 83 83 PHE H H 83 8.697 8.612 0.085 1
1 944 . 10 1 1 A 83 83 PHE CA C 83 57.338 58.225 -0.887 1
1 945 . 10 1 1 A 83 83 PHE HA H 83 4.755 4.597 0.158 1
1 946 . 10 1 1 A 83 83 PHE CB C 83 43.462 39.791 3.671 1
1 959 . 10 1 1 A 83 83 PHE C C 83 175.424 176.306 -0.882 1
1 960 . 10 1 1 A 84 84 CYS CA C 84 60.706 59.545 1.161 1
1 961 . 10 1 1 A 84 84 CYS HA H 84 4.608 4.748 -0.140 1
1 962 . 10 1 1 A 84 84 CYS CB C 84 28.990 29.198 -0.208 1
1 965 . 10 1 1 A 84 84 CYS C C 84 174.163 175.473 -1.310 1
1 966 . 10 1 1 A 85 85 GLN N N 85 114.620 119.310 -4.690 1
1 967 . 10 1 1 A 85 85 GLN H H 85 7.326 7.870 -0.544 1
1 968 . 10 1 1 A 85 85 GLN CA C 85 54.098 54.120 -0.022 1
1 969 . 10 1 1 A 85 85 GLN HA H 85 4.648 4.946 -0.298 1
1 970 . 10 1 1 A 85 85 GLN CB C 85 32.066 32.754 -0.688 1
1 979 . 10 1 1 A 85 85 GLN C C 85 175.230 175.497 -0.267 1
1 980 . 10 1 1 A 86 86 SER CA C 86 61.164 60.755 0.409 1
1 981 . 10 1 1 A 86 86 SER HA H 86 3.078 3.221 -0.143 1
1 982 . 10 1 1 A 86 86 SER CB C 86 61.738 62.288 -0.550 1
1 985 . 10 1 1 A 87 87 ARG CA C 87 58.886 59.532 -0.646 1
1 986 . 10 1 1 A 87 87 ARG HA H 87 4.049 3.953 0.096 1
1 987 . 10 1 1 A 87 87 ARG CB C 87 29.519 30.154 -0.635 1
1 996 . 10 1 1 A 87 87 ARG C C 87 177.520 178.324 -0.804 1
1 997 . 10 1 1 A 88 88 THR N N 88 112.500 113.289 -0.789 1
1 998 . 10 1 1 A 88 88 THR H H 88 6.796 8.125 -1.329 1
1 999 . 10 1 1 A 88 88 THR CA C 88 64.598 65.718 -1.120 1
1 1000 . 10 1 1 A 88 88 THR HA H 88 3.844 4.056 -0.212 1
1 1001 . 10 1 1 A 88 88 THR CB C 88 67.809 68.176 -0.367 1
1 1007 . 10 1 1 A 88 88 THR C C 88 177.343 176.593 0.750 1
1 1008 . 10 1 1 A 89 89 LEU N N 89 123.163 123.818 -0.655 1
1 1009 . 10 1 1 A 89 89 LEU H H 89 6.898 7.844 -0.946 1
1 1010 . 10 1 1 A 89 89 LEU CA C 89 57.692 57.459 0.233 1
1 1011 . 10 1 1 A 89 89 LEU HA H 89 3.147 3.320 -0.173 1
1 1012 . 10 1 1 A 89 89 LEU CB C 89 40.133 41.143 -1.010 1
1 1025 . 10 1 1 A 89 89 LEU C C 89 176.886 178.181 -1.295 1
1 1026 . 10 1 1 A 90 90 ALA N N 90 120.747 121.145 -0.398 1
1 1027 . 10 1 1 A 90 90 ALA H H 90 7.837 7.941 -0.104 1
1 1028 . 10 1 1 A 90 90 ALA CA C 90 55.646 55.296 0.350 1
1 1029 . 10 1 1 A 90 90 ALA HA H 90 3.914 4.019 -0.105 1
1 1030 . 10 1 1 A 90 90 ALA CB C 90 17.722 18.525 -0.803 1
1 1034 . 10 1 1 A 90 90 ALA C C 90 180.692 180.086 0.606 1
1 1035 . 10 1 1 A 91 91 VAL N N 91 117.181 117.882 -0.701 1
1 1036 . 10 1 1 A 91 91 VAL H H 91 7.475 7.800 -0.325 1
1 1037 . 10 1 1 A 91 91 VAL CA C 91 65.880 66.533 -0.653 1
1 1038 . 10 1 1 A 91 91 VAL HA H 91 3.662 3.559 0.103 1
1 1039 . 10 1 1 A 91 91 VAL CB C 91 32.018 31.543 0.475 1
1 1049 . 10 1 1 A 91 91 VAL C C 91 178.708 178.164 0.544 1
1 1050 . 10 1 1 A 92 92 HIS N N 92 121.501 119.824 1.677 1
1 1051 . 10 1 1 A 92 92 HIS H H 92 7.625 8.689 -1.064 1
1 1052 . 10 1 1 A 92 92 HIS CA C 92 59.553 59.942 -0.389 1
1 1053 . 10 1 1 A 92 92 HIS HA H 92 4.095 4.237 -0.142 1
1 1054 . 10 1 1 A 92 92 HIS CB C 92 28.040 29.890 -1.850 1
1 1061 . 10 1 1 A 92 92 HIS C C 92 176.518 177.029 -0.511 1
1 1062 . 10 1 1 A 93 93 LYS N N 93 116.162 117.609 -1.447 1
1 1063 . 10 1 1 A 93 93 LYS H H 93 8.372 8.538 -0.166 1
1 1064 . 10 1 1 A 93 93 LYS CA C 93 60.253 59.392 0.861 1
1 1065 . 10 1 1 A 93 93 LYS HA H 93 3.732 4.137 -0.405 1
1 1066 . 10 1 1 A 93 93 LYS CB C 93 32.158 32.548 -0.390 1
1 1078 . 10 1 1 A 93 93 LYS C C 93 179.211 179.183 0.028 1
1 1079 . 10 1 1 A 94 94 THR N N 94 111.607 114.297 -2.690 1
1 1080 . 10 1 1 A 94 94 THR H H 94 7.434 7.461 -0.027 1
1 1081 . 10 1 1 A 94 94 THR CA C 94 65.106 65.704 -0.598 1
1 1082 . 10 1 1 A 94 94 THR HA H 94 4.034 4.112 -0.078 1
1 1083 . 10 1 1 A 94 94 THR CB C 94 69.075 68.416 0.659 1
1 1089 . 10 1 1 A 94 94 THR C C 94 176.406 176.821 -0.415 1
1 1090 . 10 1 1 A 95 95 LEU N N 95 121.689 123.291 -1.602 1
1 1091 . 10 1 1 A 95 95 LEU H H 95 7.725 8.056 -0.331 1
1 1092 . 10 1 1 A 95 95 LEU CA C 95 56.680 58.173 -1.493 1
1 1093 . 10 1 1 A 95 95 LEU HA H 95 4.020 3.850 0.170 1
1 1094 . 10 1 1 A 95 95 LEU CB C 95 41.186 41.476 -0.290 1
1 1107 . 10 1 1 A 95 95 LEU C C 95 178.956 179.053 -0.097 1
1 1108 . 10 1 1 A 96 96 HIS N N 96 114.750 116.924 -2.174 1
1 1109 . 10 1 1 A 96 96 HIS H H 96 7.160 7.718 -0.558 1
1 1110 . 10 1 1 A 96 96 HIS CA C 96 55.206 58.373 -3.167 1
1 1111 . 10 1 1 A 96 96 HIS HA H 96 4.730 4.310 0.420 1
1 1112 . 10 1 1 A 96 96 HIS CB C 96 28.687 29.645 -0.958 1
1 1119 . 10 1 1 A 96 96 HIS C C 96 175.230 175.802 -0.572 1
1 1120 . 10 1 1 A 97 97 MET N N 97 118.984 114.611 4.373 1
1 1121 . 10 1 1 A 97 97 MET H H 97 7.626 7.647 -0.021 1
1 1122 . 10 1 1 A 97 97 MET CA C 97 55.995 56.209 -0.214 1
1 1123 . 10 1 1 A 97 97 MET HA H 97 4.424 4.398 0.026 1
1 1124 . 10 1 1 A 97 97 MET CB C 97 33.065 32.421 0.644 1
1 1134 . 10 1 1 A 97 97 MET C C 97 176.174 176.159 0.015 1
1 1135 . 10 1 1 A 98 98 GLN N N 98 120.828 117.646 3.182 1
1 1136 . 10 1 1 A 98 98 GLN H H 98 8.271 8.946 -0.675 1
1 1137 . 10 1 1 A 98 98 GLN CA C 98 55.951 56.612 -0.661 1
1 1138 . 10 1 1 A 98 98 GLN HA H 98 4.382 3.798 0.584 1
1 1139 . 10 1 1 A 98 98 GLN CB C 98 29.364 26.771 2.593 1
1 1148 . 10 1 1 A 98 98 GLN C C 98 176.242 174.765 1.477 1
1 1149 . 10 1 1 A 99 99 THR N N 99 114.965 113.963 1.002 1
1 1150 . 10 1 1 A 99 99 THR H H 99 8.200 7.821 0.379 1
1 1151 . 10 1 1 A 99 99 THR CA C 99 61.773 63.209 -1.436 1
1 1152 . 10 1 1 A 99 99 THR HA H 99 4.374 4.468 -0.094 1
1 1153 . 10 1 1 A 99 99 THR CB C 99 69.654 69.434 0.220 1
1 1159 . 10 1 1 A 99 99 THR C C 99 174.491 174.019 0.472 1
1 1160 . 10 1 1 A 100 100 SER N N 100 118.047 127.076 -9.029 1
1 1161 . 10 1 1 A 100 100 SER H H 100 8.311 8.942 -0.631 1
1 1162 . 10 1 1 A 100 100 SER CA C 100 58.240 57.713 0.527 1
1 1163 . 10 1 1 A 100 100 SER HA H 100 4.493 5.008 -0.515 1
1 1164 . 10 1 1 A 100 100 SER CB C 100 63.843 64.645 -0.802 1
1 1167 . 10 1 1 A 100 100 SER C C 100 174.152 173.227 0.925 1
1 1168 . 10 1 1 A 101 101 SER N N 101 118.812 123.159 -4.347 1
1 1169 . 10 1 1 A 101 101 SER H H 101 8.358 8.788 -0.430 1
1 1170 . 10 1 1 A 101 101 SER CA C 101 56.348 55.238 1.110 1
1 1171 . 10 1 1 A 101 101 SER HA H 101 4.773 4.961 -0.188 1
1 1172 . 10 1 1 A 101 101 SER CB C 101 63.554 64.873 -1.319 1
1 1175 . 10 1 1 A 101 101 SER C C 101 172.898 172.624 0.274 1
1 1176 . 10 1 1 A 102 102 PRO CA C 102 63.453 62.353 1.100 1
1 1177 . 10 1 1 A 102 102 PRO HA H 102 4.485 4.674 -0.189 1
1 1178 . 10 1 1 A 102 102 PRO CB C 102 32.126 33.558 -1.432 1
1 1187 . 10 1 1 A 102 102 PRO C C 102 177.181 176.490 0.691 1
1 1188 . 10 1 1 A 103 103 THR N N 103 114.257 115.159 -0.902 1
1 1189 . 10 1 1 A 103 103 THR H H 103 8.188 8.503 -0.315 1
1 1190 . 10 1 1 A 103 103 THR CA C 103 61.748 64.860 -3.112 1
1 1191 . 10 1 1 A 103 103 THR HA H 103 4.273 4.102 0.171 1
1 1192 . 10 1 1 A 103 103 THR CB C 103 69.833 69.157 0.676 1
1 1198 . 10 1 1 A 103 103 THR C C 103 174.258 174.224 0.034 1
1 1199 . 10 1 1 A 104 104 ALA N N 104 126.872 121.592 5.280 1
1 1200 . 10 1 1 A 104 104 ALA H H 104 8.240 7.836 0.404 1
1 1201 . 10 1 1 A 104 104 ALA CA C 104 52.369 53.019 -0.650 1
1 1202 . 10 1 1 A 104 104 ALA HA H 104 4.316 4.099 0.217 1
1 1203 . 10 1 1 A 104 104 ALA CB C 104 19.417 17.166 2.251 1
1 1207 . 10 1 1 A 104 104 ALA C C 104 177.129 177.336 -0.207 1
1 1208 . 10 1 1 A 105 105 ALA N N 105 124.353 119.524 4.829 1
1 1209 . 10 1 1 A 105 105 ALA H H 105 8.312 7.725 0.587 1
1 1210 . 10 1 1 A 105 105 ALA CA C 105 52.408 55.267 -2.859 1
1 1211 . 10 1 1 A 105 105 ALA HA H 105 4.327 4.044 0.283 1
1 1212 . 10 1 1 A 105 105 ALA CB C 105 19.416 19.436 -0.020 1
1 1216 . 10 1 1 A 105 105 ALA C C 105 176.902 177.477 -0.575 1
1 1 . 11 1 1 A 8 8 GLY CA C 8 45.171 45.189 -0.018 1
1 2 . 11 1 1 A 8 8 GLY HA2 H 8 3.976 4.246 -0.270 1
1 3 . 11 1 1 A 8 8 GLY HA3 H 8 3.976 4.246 -0.270 1
1 4 . 11 1 1 A 8 8 GLY C C 8 173.956 172.452 1.504 1
1 5 . 11 1 1 A 9 9 ARG N N 9 120.445 125.867 -5.422 1
1 6 . 11 1 1 A 9 9 ARG H H 9 8.126 8.879 -0.753 1
1 7 . 11 1 1 A 9 9 ARG CA C 9 55.873 54.973 0.900 1
1 8 . 11 1 1 A 9 9 ARG HA H 9 4.318 4.808 -0.490 1
1 9 . 11 1 1 A 9 9 ARG CB C 9 30.899 31.037 -0.138 1
1 18 . 11 1 1 A 9 9 ARG C C 9 176.192 174.970 1.222 1
1 19 . 11 1 1 A 10 10 LEU N N 10 125.156 121.046 4.110 1
1 20 . 11 1 1 A 10 10 LEU H H 10 8.357 8.358 -0.001 1
1 21 . 11 1 1 A 10 10 LEU CA C 10 53.058 51.556 1.502 1
1 22 . 11 1 1 A 10 10 LEU HA H 10 4.589 4.962 -0.373 1
1 23 . 11 1 1 A 10 10 LEU CB C 10 41.599 43.010 -1.411 1
1 36 . 11 1 1 A 10 10 LEU C C 10 175.327 174.879 0.448 1
1 37 . 11 1 1 A 11 11 PRO CA C 11 63.064 62.532 0.532 1
1 38 . 11 1 1 A 11 11 PRO HA H 11 4.416 4.700 -0.284 1
1 39 . 11 1 1 A 11 11 PRO CB C 11 32.095 31.724 0.371 1
1 48 . 11 1 1 A 13 13 LYS CA C 13 56.353 56.995 -0.642 1
1 49 . 11 1 1 A 13 13 LYS HA H 13 4.383 4.122 0.261 1
1 50 . 11 1 1 A 13 13 LYS CB C 13 33.019 33.720 -0.701 1
1 62 . 11 1 1 A 13 13 LYS C C 13 176.694 177.817 -1.123 1
1 63 . 11 1 1 A 14 14 THR N N 14 115.691 118.453 -2.762 1
1 64 . 11 1 1 A 14 14 THR H H 14 8.140 8.503 -0.363 1
1 65 . 11 1 1 A 14 14 THR CA C 14 61.919 64.668 -2.749 1
1 66 . 11 1 1 A 14 14 THR HA H 14 4.265 4.134 0.131 1
1 67 . 11 1 1 A 14 14 THR CB C 14 69.860 68.925 0.935 1
1 73 . 11 1 1 A 14 14 THR C C 14 174.261 174.545 -0.284 1
1 74 . 11 1 1 A 15 15 LYS N N 15 124.645 119.881 4.764 1
1 75 . 11 1 1 A 15 15 LYS H H 15 8.323 7.605 0.718 1
1 76 . 11 1 1 A 15 15 LYS CA C 15 56.226 54.617 1.609 1
1 77 . 11 1 1 A 15 15 LYS HA H 15 4.278 4.918 -0.640 1
1 78 . 11 1 1 A 15 15 LYS CB C 15 33.220 37.015 -3.795 1
1 90 . 11 1 1 A 15 15 LYS C C 15 175.921 174.268 1.653 1
1 91 . 11 1 1 A 16 16 LYS N N 16 123.830 122.388 1.442 1
1 92 . 11 1 1 A 16 16 LYS H H 16 8.332 8.570 -0.238 1
1 93 . 11 1 1 A 16 16 LYS CA C 16 55.966 55.038 0.928 1
1 94 . 11 1 1 A 16 16 LYS HA H 16 4.192 4.950 -0.758 1
1 95 . 11 1 1 A 16 16 LYS CB C 16 33.028 35.809 -2.781 1
1 107 . 11 1 1 A 16 16 LYS C C 16 175.334 174.532 0.802 1
1 108 . 11 1 1 A 17 17 GLU N N 17 121.077 124.693 -3.616 1
1 109 . 11 1 1 A 17 17 GLU H H 17 7.931 8.780 -0.849 1
1 110 . 11 1 1 A 17 17 GLU CA C 17 55.463 54.121 1.342 1
1 111 . 11 1 1 A 17 17 GLU HA H 17 4.300 4.848 -0.548 1
1 112 . 11 1 1 A 17 17 GLU CB C 17 31.984 33.596 -1.612 1
1 118 . 11 1 1 A 17 17 GLU C C 17 174.646 174.628 0.018 1
1 119 . 11 1 1 A 18 18 PHE N N 18 121.605 116.548 5.057 1
1 120 . 11 1 1 A 18 18 PHE H H 18 8.560 8.577 -0.017 1
1 121 . 11 1 1 A 18 18 PHE CA C 18 56.963 56.511 0.452 1
1 122 . 11 1 1 A 18 18 PHE HA H 18 4.675 5.344 -0.669 1
1 123 . 11 1 1 A 18 18 PHE CB C 18 39.653 43.165 -3.512 1
1 134 . 11 1 1 A 18 18 PHE C C 18 173.933 175.369 -1.436 1
1 135 . 11 1 1 A 19 19 ILE N N 19 123.977 119.830 4.147 1
1 136 . 11 1 1 A 19 19 ILE H H 19 8.425 8.797 -0.372 1
1 137 . 11 1 1 A 19 19 ILE CA C 19 59.740 59.684 0.056 1
1 138 . 11 1 1 A 19 19 ILE HA H 19 4.654 5.184 -0.530 1
1 139 . 11 1 1 A 19 19 ILE CB C 19 41.000 41.812 -0.812 1
1 152 . 11 1 1 A 19 19 ILE C C 19 175.584 174.727 0.857 1
1 153 . 11 1 1 A 20 20 CYS N N 20 129.741 126.586 3.155 1
1 154 . 11 1 1 A 20 20 CYS H H 20 9.224 9.167 0.057 1
1 155 . 11 1 1 A 20 20 CYS CA C 20 59.974 59.448 0.526 1
1 156 . 11 1 1 A 20 20 CYS HA H 20 4.827 4.533 0.294 1
1 157 . 11 1 1 A 20 20 CYS CB C 20 30.335 29.055 1.280 1
1 160 . 11 1 1 A 20 20 CYS C C 20 178.043 175.522 2.521 1
1 161 . 11 1 1 A 21 21 LYS N N 21 132.598 122.823 9.775 1
1 162 . 11 1 1 A 21 21 LYS H H 21 9.473 8.380 1.093 1
1 163 . 11 1 1 A 21 21 LYS CA C 21 58.099 56.931 1.168 1
1 164 . 11 1 1 A 21 21 LYS HA H 21 4.104 4.455 -0.351 1
1 165 . 11 1 1 A 21 21 LYS CB C 21 31.695 33.773 -2.078 1
1 177 . 11 1 1 A 21 21 LYS C C 21 175.765 178.528 -2.763 1
1 178 . 11 1 1 A 22 22 PHE N N 22 121.000 118.400 2.600 1
1 179 . 11 1 1 A 22 22 PHE H H 22 9.158 8.025 1.133 1
1 180 . 11 1 1 A 22 22 PHE CA C 22 59.743 59.344 0.399 1
1 181 . 11 1 1 A 22 22 PHE HA H 22 4.394 4.192 0.202 1
1 182 . 11 1 1 A 22 22 PHE CB C 22 37.953 37.241 0.712 1
1 195 . 11 1 1 A 22 22 PHE C C 22 176.819 176.640 0.179 1
1 196 . 11 1 1 A 23 23 CYS N N 23 115.955 113.158 2.797 1
1 197 . 11 1 1 A 23 23 CYS H H 23 8.410 7.452 0.958 1
1 198 . 11 1 1 A 23 23 CYS CA C 23 58.486 59.293 -0.807 1
1 199 . 11 1 1 A 23 23 CYS HA H 23 5.262 4.761 0.501 1
1 200 . 11 1 1 A 23 23 CYS CB C 23 33.092 30.305 2.787 1
1 203 . 11 1 1 A 23 23 CYS C C 23 176.770 175.773 0.997 1
1 204 . 11 1 1 A 24 24 GLY N N 24 112.575 110.011 2.564 1
1 205 . 11 1 1 A 24 24 GLY H H 24 8.092 8.259 -0.167 1
1 206 . 11 1 1 A 24 24 GLY CA C 24 46.302 45.351 0.951 1
1 207 . 11 1 1 A 24 24 GLY HA2 H 24 4.238 4.051 0.187 1
1 208 . 11 1 1 A 24 24 GLY HA3 H 24 3.776 4.067 -0.291 1
1 209 . 11 1 1 A 24 24 GLY C C 24 173.621 173.362 0.259 1
1 210 . 11 1 1 A 25 25 ARG N N 25 122.678 124.985 -2.307 1
1 211 . 11 1 1 A 25 25 ARG H H 25 8.079 8.160 -0.081 1
1 212 . 11 1 1 A 25 25 ARG CA C 25 58.063 54.773 3.290 1
1 213 . 11 1 1 A 25 25 ARG HA H 25 4.096 4.907 -0.811 1
1 214 . 11 1 1 A 25 25 ARG CB C 25 31.628 33.865 -2.237 1
1 223 . 11 1 1 A 25 25 ARG C C 25 174.641 174.476 0.165 1
1 224 . 11 1 1 A 26 26 HIS N N 26 121.510 124.074 -2.564 1
1 225 . 11 1 1 A 26 26 HIS H H 26 8.454 8.882 -0.428 1
1 226 . 11 1 1 A 26 26 HIS CA C 26 55.553 56.379 -0.826 1
1 227 . 11 1 1 A 26 26 HIS HA H 26 5.166 4.983 0.183 1
1 228 . 11 1 1 A 26 26 HIS CB C 26 32.066 30.958 1.108 1
1 235 . 11 1 1 A 26 26 HIS C C 26 174.732 175.133 -0.401 1
1 236 . 11 1 1 A 27 27 PHE N N 27 119.065 120.034 -0.969 1
1 237 . 11 1 1 A 27 27 PHE H H 27 9.035 8.665 0.370 1
1 238 . 11 1 1 A 27 27 PHE CA C 27 57.515 56.472 1.043 1
1 239 . 11 1 1 A 27 27 PHE HA H 27 4.724 4.871 -0.147 1
1 240 . 11 1 1 A 27 27 PHE CB C 27 43.276 44.041 -0.765 1
1 253 . 11 1 1 A 27 27 PHE C C 27 175.205 175.784 -0.579 1
1 254 . 11 1 1 A 28 28 THR CA C 28 62.856 62.928 -0.072 1
1 255 . 11 1 1 A 28 28 THR HA H 28 4.691 4.546 0.145 1
1 256 . 11 1 1 A 28 28 THR CB C 28 69.897 70.004 -0.107 1
1 262 . 11 1 1 A 28 28 THR C C 28 174.714 173.847 0.867 1
1 263 . 11 1 1 A 29 29 LYS N N 29 118.993 122.192 -3.199 1
1 264 . 11 1 1 A 29 29 LYS H H 29 7.456 7.906 -0.450 1
1 265 . 11 1 1 A 29 29 LYS CA C 29 54.239 55.049 -0.810 1
1 266 . 11 1 1 A 29 29 LYS HA H 29 4.573 4.925 -0.352 1
1 267 . 11 1 1 A 29 29 LYS CB C 29 35.412 35.710 -0.298 1
1 279 . 11 1 1 A 29 29 LYS C C 29 176.395 176.498 -0.103 1
1 280 . 11 1 1 A 30 30 SER CA C 30 60.921 62.259 -1.338 1
1 281 . 11 1 1 A 30 30 SER HA H 30 3.025 4.255 -1.230 1
1 282 . 11 1 1 A 30 30 SER CB C 30 61.703 62.638 -0.935 1
1 285 . 11 1 1 A 31 31 TYR CA C 31 60.807 61.182 -0.375 1
1 286 . 11 1 1 A 31 31 TYR HA H 31 4.101 4.158 -0.057 1
1 287 . 11 1 1 A 31 31 TYR CB C 31 38.408 38.675 -0.267 1
1 298 . 11 1 1 A 31 31 TYR C C 31 176.455 177.447 -0.992 1
1 299 . 11 1 1 A 32 32 ASN N N 32 114.304 117.654 -3.350 1
1 300 . 11 1 1 A 32 32 ASN H H 32 6.481 8.592 -2.111 1
1 301 . 11 1 1 A 32 32 ASN CA C 32 55.198 56.555 -1.357 1
1 302 . 11 1 1 A 32 32 ASN HA H 32 4.283 4.563 -0.280 1
1 303 . 11 1 1 A 32 32 ASN CB C 32 37.912 38.435 -0.523 1
1 309 . 11 1 1 A 32 32 ASN C C 32 177.633 178.016 -0.383 1
1 310 . 11 1 1 A 33 33 LEU N N 33 121.854 120.657 1.197 1
1 311 . 11 1 1 A 33 33 LEU H H 33 7.002 7.553 -0.551 1
1 312 . 11 1 1 A 33 33 LEU CA C 33 57.820 57.360 0.460 1
1 313 . 11 1 1 A 33 33 LEU HA H 33 2.922 2.216 0.706 1
1 314 . 11 1 1 A 33 33 LEU CB C 33 40.350 41.449 -1.099 1
1 327 . 11 1 1 A 33 33 LEU C C 33 176.900 178.079 -1.179 1
1 328 . 11 1 1 A 34 34 LEU N N 34 120.140 116.931 3.209 1
1 329 . 11 1 1 A 34 34 LEU H H 34 7.795 7.631 0.164 1
1 330 . 11 1 1 A 34 34 LEU CA C 34 58.506 57.915 0.591 1
1 331 . 11 1 1 A 34 34 LEU HA H 34 3.933 3.897 0.036 1
1 332 . 11 1 1 A 34 34 LEU CB C 34 41.523 41.459 0.064 1
1 345 . 11 1 1 A 34 34 LEU C C 34 179.914 178.948 0.966 1
1 346 . 11 1 1 A 35 35 ILE N N 35 116.693 119.671 -2.978 1
1 347 . 11 1 1 A 35 35 ILE H H 35 7.368 7.885 -0.517 1
1 348 . 11 1 1 A 35 35 ILE CA C 35 63.641 65.154 -1.513 1
1 349 . 11 1 1 A 35 35 ILE HA H 35 3.533 3.711 -0.178 1
1 350 . 11 1 1 A 35 35 ILE CB C 35 37.380 37.824 -0.444 1
1 363 . 11 1 1 A 35 35 ILE C C 35 178.700 177.460 1.240 1
1 364 . 11 1 1 A 36 36 HIS N N 36 119.039 120.851 -1.812 1
1 365 . 11 1 1 A 36 36 HIS H H 36 7.424 7.980 -0.556 1
1 366 . 11 1 1 A 36 36 HIS CA C 36 59.486 58.160 1.326 1
1 367 . 11 1 1 A 36 36 HIS HA H 36 4.282 4.358 -0.076 1
1 368 . 11 1 1 A 36 36 HIS CB C 36 28.563 30.685 -2.122 1
1 375 . 11 1 1 A 36 36 HIS C C 36 178.907 177.201 1.706 1
1 376 . 11 1 1 A 37 37 GLU N N 37 122.627 118.526 4.101 1
1 377 . 11 1 1 A 37 37 GLU H H 37 9.459 7.977 1.482 1
1 378 . 11 1 1 A 37 37 GLU CA C 37 61.473 58.397 3.076 1
1 379 . 11 1 1 A 37 37 GLU HA H 37 3.922 4.325 -0.403 1
1 380 . 11 1 1 A 37 37 GLU CB C 37 30.028 29.568 0.460 1
1 386 . 11 1 1 A 37 37 GLU C C 37 178.840 178.645 0.195 1
1 387 . 11 1 1 A 38 38 ARG N N 38 116.143 118.382 -2.239 1
1 388 . 11 1 1 A 38 38 ARG H H 38 7.244 8.047 -0.803 1
1 389 . 11 1 1 A 38 38 ARG CA C 38 58.258 58.196 0.062 1
1 390 . 11 1 1 A 38 38 ARG HA H 38 4.129 4.101 0.028 1
1 391 . 11 1 1 A 38 38 ARG CB C 38 30.054 29.759 0.295 1
1 400 . 11 1 1 A 38 38 ARG C C 38 177.863 178.454 -0.591 1
1 401 . 11 1 1 A 39 39 THR N N 39 109.313 114.709 -5.396 1
1 402 . 11 1 1 A 39 39 THR H H 39 7.639 7.860 -0.221 1
1 403 . 11 1 1 A 39 39 THR CA C 39 63.892 64.687 -0.795 1
1 404 . 11 1 1 A 39 39 THR HA H 39 4.075 3.935 0.140 1
1 405 . 11 1 1 A 39 39 THR CB C 39 69.337 68.824 0.513 1
1 411 . 11 1 1 A 39 39 THR C C 39 175.843 176.230 -0.387 1
1 412 . 11 1 1 A 40 40 HIS N N 40 119.019 117.672 1.347 1
1 413 . 11 1 1 A 40 40 HIS H H 40 7.046 7.445 -0.399 1
1 414 . 11 1 1 A 40 40 HIS CA C 40 55.942 58.856 -2.914 1
1 415 . 11 1 1 A 40 40 HIS HA H 40 4.410 4.046 0.364 1
1 416 . 11 1 1 A 40 40 HIS CB C 40 27.446 29.361 -1.915 1
1 423 . 11 1 1 A 40 40 HIS C C 40 175.528 175.407 0.121 1
1 424 . 11 1 1 A 41 41 THR N N 41 111.847 111.679 0.168 1
1 425 . 11 1 1 A 41 41 THR H H 41 7.579 7.331 0.248 1
1 426 . 11 1 1 A 41 41 THR CA C 41 62.200 62.323 -0.123 1
1 427 . 11 1 1 A 41 41 THR HA H 41 4.152 4.127 0.025 1
1 428 . 11 1 1 A 41 41 THR CB C 41 69.440 69.105 0.335 1
1 434 . 11 1 1 A 41 41 THR C C 41 174.484 173.753 0.731 1
1 435 . 11 1 1 A 42 42 ASP N N 42 122.207 125.332 -3.125 1
1 436 . 11 1 1 A 42 42 ASP H H 42 8.191 8.469 -0.278 1
1 437 . 11 1 1 A 42 42 ASP CA C 42 54.373 54.709 -0.336 1
1 438 . 11 1 1 A 42 42 ASP HA H 42 4.524 4.458 0.066 1
1 439 . 11 1 1 A 42 42 ASP CB C 42 41.045 40.940 0.105 1
1 442 . 11 1 1 A 42 42 ASP C C 42 175.869 176.043 -0.174 1
1 443 . 11 1 1 A 43 43 GLU N N 43 120.562 122.539 -1.977 1
1 444 . 11 1 1 A 43 43 GLU H H 43 8.064 8.326 -0.262 1
1 445 . 11 1 1 A 43 43 GLU CA C 43 57.378 55.816 1.562 1
1 446 . 11 1 1 A 43 43 GLU HA H 43 4.098 4.744 -0.646 1
1 447 . 11 1 1 A 43 43 GLU CB C 43 30.262 30.353 -0.091 1
1 453 . 11 1 1 A 43 43 GLU C C 43 176.313 175.825 0.488 1
1 454 . 11 1 1 A 44 44 ARG N N 44 120.015 122.598 -2.583 1
1 455 . 11 1 1 A 44 44 ARG H H 44 8.190 8.760 -0.570 1
1 456 . 11 1 1 A 44 44 ARG CA C 44 53.266 54.898 -1.632 1
1 457 . 11 1 1 A 44 44 ARG HA H 44 4.533 4.559 -0.026 1
1 458 . 11 1 1 A 44 44 ARG CB C 44 30.702 30.439 0.263 1
1 467 . 11 1 1 A 44 44 ARG C C 44 173.360 176.266 -2.906 1
1 468 . 11 1 1 A 45 45 PRO CA C 45 63.459 64.939 -1.480 1
1 469 . 11 1 1 A 45 45 PRO HA H 45 4.298 4.268 0.030 1
1 470 . 11 1 1 A 45 45 PRO CB C 45 32.219 31.603 0.616 1
1 479 . 11 1 1 A 45 45 PRO C C 45 176.492 175.872 0.620 1
1 480 . 11 1 1 A 46 46 TYR N N 46 119.184 117.966 1.218 1
1 481 . 11 1 1 A 46 46 TYR H H 46 7.840 7.764 0.076 1
1 482 . 11 1 1 A 46 46 TYR CA C 46 57.533 57.982 -0.449 1
1 483 . 11 1 1 A 46 46 TYR HA H 46 4.757 4.603 0.154 1
1 484 . 11 1 1 A 46 46 TYR CB C 46 38.646 38.224 0.422 1
1 495 . 11 1 1 A 46 46 TYR C C 46 175.414 175.955 -0.541 1
1 496 . 11 1 1 A 47 47 THR N N 47 117.631 118.698 -1.067 1
1 497 . 11 1 1 A 47 47 THR H H 47 8.607 8.768 -0.161 1
1 498 . 11 1 1 A 47 47 THR CA C 47 60.593 60.997 -0.404 1
1 499 . 11 1 1 A 47 47 THR HA H 47 5.130 4.979 0.151 1
1 500 . 11 1 1 A 47 47 THR CB C 47 71.076 71.849 -0.773 1
1 506 . 11 1 1 A 47 47 THR C C 47 173.697 173.316 0.381 1
1 507 . 11 1 1 A 48 48 CYS N N 48 127.009 126.308 0.701 1
1 508 . 11 1 1 A 48 48 CYS H H 48 9.072 8.701 0.371 1
1 509 . 11 1 1 A 48 48 CYS CA C 48 60.153 59.113 1.040 1
1 510 . 11 1 1 A 48 48 CYS HA H 48 4.422 4.569 -0.147 1
1 511 . 11 1 1 A 48 48 CYS CB C 48 29.832 28.810 1.022 1
1 514 . 11 1 1 A 48 48 CYS C C 48 176.023 174.662 1.361 1
1 515 . 11 1 1 A 49 49 ASP N N 49 129.691 122.864 6.827 1
1 516 . 11 1 1 A 49 49 ASP H H 49 9.129 9.118 0.011 1
1 517 . 11 1 1 A 49 49 ASP CA C 49 55.499 55.059 0.440 1
1 518 . 11 1 1 A 49 49 ASP HA H 49 4.353 4.886 -0.533 1
1 519 . 11 1 1 A 49 49 ASP CB C 49 39.656 42.411 -2.755 1
1 522 . 11 1 1 A 49 49 ASP C C 49 175.094 176.473 -1.379 1
1 523 . 11 1 1 A 50 50 ILE N N 50 121.649 116.996 4.653 1
1 524 . 11 1 1 A 50 50 ILE H H 50 8.661 7.546 1.115 1
1 525 . 11 1 1 A 50 50 ILE CA C 50 62.888 62.841 0.047 1
1 526 . 11 1 1 A 50 50 ILE HA H 50 3.837 4.195 -0.358 1
1 527 . 11 1 1 A 50 50 ILE CB C 50 38.652 38.427 0.225 1
1 540 . 11 1 1 A 50 50 ILE C C 50 176.439 177.773 -1.334 1
1 541 . 11 1 1 A 51 51 CYS N N 51 116.341 117.988 -1.647 1
1 542 . 11 1 1 A 51 51 CYS H H 51 7.973 8.060 -0.087 1
1 543 . 11 1 1 A 51 51 CYS CA C 51 58.192 60.515 -2.323 1
1 544 . 11 1 1 A 51 51 CYS HA H 51 4.922 4.509 0.413 1
1 545 . 11 1 1 A 51 51 CYS CB C 51 32.086 28.317 3.769 1
1 548 . 11 1 1 A 51 51 CYS C C 51 175.814 175.370 0.444 1
1 549 . 11 1 1 A 52 52 HIS N N 52 116.961 119.227 -2.266 1
1 550 . 11 1 1 A 52 52 HIS H H 52 7.714 8.100 -0.386 1
1 551 . 11 1 1 A 52 52 HIS CA C 52 58.187 56.631 1.556 1
1 552 . 11 1 1 A 52 52 HIS HA H 52 4.521 4.223 0.298 1
1 553 . 11 1 1 A 52 52 HIS CB C 52 27.079 28.176 -1.097 1
1 560 . 11 1 1 A 52 52 HIS C C 52 174.215 174.103 0.112 1
1 561 . 11 1 1 A 53 53 LYS N N 53 122.651 118.768 3.883 1
1 562 . 11 1 1 A 53 53 LYS H H 53 7.902 7.666 0.236 1
1 563 . 11 1 1 A 53 53 LYS CA C 53 58.205 55.615 2.590 1
1 564 . 11 1 1 A 53 53 LYS HA H 53 4.051 4.372 -0.321 1
1 565 . 11 1 1 A 53 53 LYS CB C 53 33.868 34.077 -0.209 1
1 577 . 11 1 1 A 53 53 LYS C C 53 173.816 175.522 -1.706 1
1 578 . 11 1 1 A 54 54 ALA N N 54 124.589 120.423 4.166 1
1 579 . 11 1 1 A 54 54 ALA H H 54 7.885 8.221 -0.336 1
1 580 . 11 1 1 A 54 54 ALA CA C 54 50.573 49.859 0.714 1
1 581 . 11 1 1 A 54 54 ALA HA H 54 5.098 5.624 -0.526 1
1 582 . 11 1 1 A 54 54 ALA CB C 54 22.290 22.512 -0.222 1
1 586 . 11 1 1 A 54 54 ALA C C 54 176.763 175.558 1.205 1
1 587 . 11 1 1 A 55 55 PHE N N 55 117.946 117.669 0.277 1
1 588 . 11 1 1 A 55 55 PHE H H 55 9.044 8.882 0.162 1
1 589 . 11 1 1 A 55 55 PHE CA C 55 57.320 56.622 0.698 1
1 590 . 11 1 1 A 55 55 PHE HA H 55 4.724 4.893 -0.169 1
1 591 . 11 1 1 A 55 55 PHE CB C 55 43.710 43.955 -0.245 1
1 604 . 11 1 1 A 55 55 PHE C C 55 175.251 175.148 0.103 1
1 605 . 11 1 1 A 56 56 ARG N N 56 119.843 119.052 0.791 1
1 606 . 11 1 1 A 56 56 ARG H H 56 9.587 8.586 1.001 1
1 607 . 11 1 1 A 56 56 ARG CA C 56 58.117 56.629 1.488 1
1 608 . 11 1 1 A 56 56 ARG HA H 56 4.603 4.278 0.325 1
1 609 . 11 1 1 A 56 56 ARG CB C 56 31.741 31.651 0.090 1
1 618 . 11 1 1 A 56 56 ARG C C 56 176.201 175.887 0.314 1
1 619 . 11 1 1 A 57 57 ARG N N 57 113.134 119.301 -6.167 1
1 620 . 11 1 1 A 57 57 ARG H H 57 7.273 7.552 -0.279 1
1 621 . 11 1 1 A 57 57 ARG CA C 57 53.978 54.774 -0.796 1
1 622 . 11 1 1 A 57 57 ARG HA H 57 4.650 4.545 0.105 1
1 623 . 11 1 1 A 57 57 ARG CB C 57 34.701 32.554 2.147 1
1 632 . 11 1 1 A 57 57 ARG C C 57 176.296 177.020 -0.724 1
1 633 . 11 1 1 A 58 58 GLN N N 58 124.070 122.367 1.703 1
1 634 . 11 1 1 A 58 58 GLN H H 58 8.583 8.882 -0.299 1
1 635 . 11 1 1 A 58 58 GLN CA C 58 59.036 59.394 -0.358 1
1 636 . 11 1 1 A 58 58 GLN HA H 58 3.004 3.957 -0.953 1
1 637 . 11 1 1 A 58 58 GLN CB C 58 28.229 28.763 -0.534 1
1 646 . 11 1 1 A 58 58 GLN C C 58 177.925 177.557 0.368 1
1 647 . 11 1 1 A 59 59 ASP CA C 59 56.406 57.480 -1.074 1
1 648 . 11 1 1 A 59 59 ASP HA H 59 4.046 4.177 -0.131 1
1 649 . 11 1 1 A 59 59 ASP CB C 59 38.248 40.088 -1.840 1
1 652 . 11 1 1 A 59 59 ASP C C 59 177.698 178.953 -1.255 1
1 653 . 11 1 1 A 60 60 HIS N N 60 119.173 118.416 0.757 1
1 654 . 11 1 1 A 60 60 HIS H H 60 6.954 8.040 -1.086 1
1 655 . 11 1 1 A 60 60 HIS CA C 60 56.843 59.322 -2.479 1
1 656 . 11 1 1 A 60 60 HIS HA H 60 4.432 4.324 0.108 1
1 657 . 11 1 1 A 60 60 HIS CB C 60 31.752 30.139 1.613 1
1 664 . 11 1 1 A 60 60 HIS C C 60 178.617 177.813 0.804 1
1 665 . 11 1 1 A 61 61 LEU N N 61 120.844 120.720 0.124 1
1 666 . 11 1 1 A 61 61 LEU H H 61 6.979 7.840 -0.861 1
1 667 . 11 1 1 A 61 61 LEU CA C 61 57.728 57.536 0.192 1
1 668 . 11 1 1 A 61 61 LEU HA H 61 3.145 2.863 0.282 1
1 669 . 11 1 1 A 61 61 LEU CB C 61 40.153 41.163 -1.010 1
1 682 . 11 1 1 A 61 61 LEU C C 61 176.855 178.274 -1.419 1
1 683 . 11 1 1 A 62 62 ARG N N 62 120.225 119.092 1.133 1
1 684 . 11 1 1 A 62 62 ARG H H 62 8.012 8.324 -0.312 1
1 685 . 11 1 1 A 62 62 ARG CA C 62 59.526 59.743 -0.217 1
1 686 . 11 1 1 A 62 62 ARG HA H 62 3.724 3.983 -0.259 1
1 687 . 11 1 1 A 62 62 ARG CB C 62 29.388 29.772 -0.384 1
1 696 . 11 1 1 A 62 62 ARG C C 62 178.582 178.177 0.405 1
1 697 . 11 1 1 A 63 63 ASP N N 63 117.219 119.614 -2.395 1
1 698 . 11 1 1 A 63 63 ASP H H 63 7.823 8.406 -0.583 1
1 699 . 11 1 1 A 63 63 ASP CA C 63 56.694 57.108 -0.414 1
1 700 . 11 1 1 A 63 63 ASP HA H 63 4.401 4.348 0.053 1
1 701 . 11 1 1 A 63 63 ASP CB C 63 40.226 41.092 -0.866 1
1 704 . 11 1 1 A 63 63 ASP C C 63 178.560 178.318 0.242 1
1 705 . 11 1 1 A 64 64 HIS N N 64 119.185 119.707 -0.522 1
1 706 . 11 1 1 A 64 64 HIS H H 64 7.606 8.555 -0.949 1
1 707 . 11 1 1 A 64 64 HIS CA C 64 58.772 60.063 -1.291 1
1 708 . 11 1 1 A 64 64 HIS HA H 64 4.211 4.249 -0.038 1
1 709 . 11 1 1 A 64 64 HIS CB C 64 28.533 29.452 -0.919 1
1 716 . 11 1 1 A 64 64 HIS C C 64 176.334 176.834 -0.500 1
1 717 . 11 1 1 A 65 65 ARG N N 65 116.490 117.533 -1.043 1
1 718 . 11 1 1 A 65 65 ARG H H 65 8.157 7.794 0.363 1
1 719 . 11 1 1 A 65 65 ARG CA C 65 59.666 59.047 0.619 1
1 720 . 11 1 1 A 65 65 ARG HA H 65 3.576 4.141 -0.565 1
1 721 . 11 1 1 A 65 65 ARG CB C 65 29.958 29.989 -0.031 1
1 730 . 11 1 1 A 65 65 ARG C C 65 178.301 178.152 0.149 1
1 731 . 11 1 1 A 66 66 TYR N N 66 117.286 121.109 -3.823 1
1 732 . 11 1 1 A 66 66 TYR H H 66 7.169 8.119 -0.950 1
1 733 . 11 1 1 A 66 66 TYR CA C 66 60.186 61.293 -1.107 1
1 734 . 11 1 1 A 66 66 TYR HA H 66 4.339 4.112 0.227 1
1 735 . 11 1 1 A 66 66 TYR CB C 66 37.960 38.645 -0.685 1
1 746 . 11 1 1 A 66 66 TYR C C 66 178.191 177.689 0.502 1
1 747 . 11 1 1 A 67 67 ILE N N 67 117.609 117.702 -0.093 1
1 748 . 11 1 1 A 67 67 ILE H H 67 7.883 7.950 -0.067 1
1 749 . 11 1 1 A 67 67 ILE CA C 67 63.440 64.018 -0.578 1
1 750 . 11 1 1 A 67 67 ILE HA H 67 3.836 3.655 0.181 1
1 751 . 11 1 1 A 67 67 ILE CB C 67 37.482 37.310 0.172 1
1 764 . 11 1 1 A 67 67 ILE C C 67 177.511 177.449 0.062 1
1 765 . 11 1 1 A 68 68 HIS N N 68 116.764 119.680 -2.916 1
1 766 . 11 1 1 A 68 68 HIS H H 68 7.140 7.586 -0.446 1
1 767 . 11 1 1 A 68 68 HIS CA C 68 55.340 58.278 -2.938 1
1 768 . 11 1 1 A 68 68 HIS HA H 68 4.768 4.376 0.392 1
1 769 . 11 1 1 A 68 68 HIS CB C 68 28.687 30.956 -2.269 1
1 776 . 11 1 1 A 68 68 HIS C C 68 175.627 175.920 -0.293 1
1 777 . 11 1 1 A 69 69 SER N N 69 114.870 113.137 1.733 1
1 778 . 11 1 1 A 69 69 SER H H 69 7.731 7.548 0.183 1
1 779 . 11 1 1 A 69 69 SER CA C 69 59.200 58.739 0.461 1
1 780 . 11 1 1 A 69 69 SER HA H 69 4.379 4.155 0.224 1
1 781 . 11 1 1 A 69 69 SER CB C 69 63.765 63.381 0.384 1
1 784 . 11 1 1 A 69 69 SER C C 69 174.692 174.528 0.164 1
1 785 . 11 1 1 A 70 70 LYS N N 70 121.978 127.600 -5.622 1
1 786 . 11 1 1 A 70 70 LYS H H 70 8.063 8.444 -0.381 1
1 787 . 11 1 1 A 70 70 LYS CA C 70 56.825 57.551 -0.726 1
1 788 . 11 1 1 A 70 70 LYS HA H 70 4.214 4.202 0.012 1
1 789 . 11 1 1 A 70 70 LYS CB C 70 32.539 33.153 -0.614 1
1 801 . 11 1 1 A 70 70 LYS C C 70 176.806 176.443 0.363 1
1 802 . 11 1 1 A 71 71 GLU N N 71 120.177 121.913 -1.736 1
1 803 . 11 1 1 A 71 71 GLU H H 71 8.008 8.985 -0.977 1
1 804 . 11 1 1 A 71 71 GLU CA C 71 56.472 54.547 1.925 1
1 805 . 11 1 1 A 71 71 GLU HA H 71 4.191 4.946 -0.755 1
1 806 . 11 1 1 A 71 71 GLU CB C 71 29.335 32.228 -2.893 1
1 811 . 11 1 1 A 71 71 GLU C C 71 176.040 175.802 0.238 1
1 812 . 11 1 1 A 72 72 LYS N N 72 121.800 125.170 -3.370 1
1 813 . 11 1 1 A 72 72 LYS H H 72 8.277 8.518 -0.241 1
1 814 . 11 1 1 A 72 72 LYS CA C 72 53.820 54.782 -0.962 1
1 815 . 11 1 1 A 72 72 LYS HA H 72 4.391 4.243 0.148 1
1 816 . 11 1 1 A 72 72 LYS CB C 72 32.139 31.841 0.298 1
1 828 . 11 1 1 A 72 72 LYS C C 72 174.768 176.797 -2.029 1
1 829 . 11 1 1 A 73 73 PRO CA C 73 63.978 64.918 -0.940 1
1 830 . 11 1 1 A 73 73 PRO HA H 73 4.144 4.424 -0.280 1
1 831 . 11 1 1 A 73 73 PRO CB C 73 31.953 31.779 0.174 1
1 840 . 11 1 1 A 73 73 PRO C C 73 176.402 176.006 0.396 1
1 841 . 11 1 1 A 74 74 PHE N N 74 117.425 112.186 5.239 1
1 842 . 11 1 1 A 74 74 PHE H H 74 7.686 7.138 0.548 1
1 843 . 11 1 1 A 74 74 PHE CA C 74 57.020 56.250 0.770 1
1 844 . 11 1 1 A 74 74 PHE HA H 74 4.691 4.950 -0.259 1
1 845 . 11 1 1 A 74 74 PHE CB C 74 39.403 41.865 -2.462 1
1 856 . 11 1 1 A 74 74 PHE C C 74 174.442 173.503 0.939 1
1 857 . 11 1 1 A 75 75 LYS N N 75 123.931 121.175 2.756 1
1 858 . 11 1 1 A 75 75 LYS H H 75 8.590 9.168 -0.578 1
1 859 . 11 1 1 A 75 75 LYS CA C 75 54.951 54.445 0.506 1
1 860 . 11 1 1 A 75 75 LYS HA H 75 5.021 5.113 -0.092 1
1 861 . 11 1 1 A 75 75 LYS CB C 75 35.286 36.180 -0.894 1
1 873 . 11 1 1 A 75 75 LYS C C 75 175.465 175.017 0.448 1
1 874 . 11 1 1 A 76 76 CYS N N 76 126.279 121.554 4.725 1
1 875 . 11 1 1 A 76 76 CYS H H 76 9.149 9.158 -0.009 1
1 876 . 11 1 1 A 76 76 CYS CA C 76 59.553 59.760 -0.207 1
1 877 . 11 1 1 A 76 76 CYS HA H 76 4.462 4.670 -0.208 1
1 878 . 11 1 1 A 76 76 CYS CB C 76 29.772 28.614 1.158 1
1 881 . 11 1 1 A 76 76 CYS C C 76 177.367 174.886 2.481 1
1 882 . 11 1 1 A 77 77 GLN CA C 77 58.117 57.607 0.510 1
1 883 . 11 1 1 A 77 77 GLN HA H 77 4.130 4.256 -0.126 1
1 884 . 11 1 1 A 77 77 GLN CB C 77 28.479 29.101 -0.622 1
1 893 . 11 1 1 A 77 77 GLN C C 77 176.283 178.079 -1.796 1
1 894 . 11 1 1 A 78 78 GLU N N 78 120.320 118.891 1.429 1
1 895 . 11 1 1 A 78 78 GLU H H 78 8.682 8.243 0.439 1
1 896 . 11 1 1 A 78 78 GLU CA C 78 58.540 58.892 -0.352 1
1 897 . 11 1 1 A 78 78 GLU HA H 78 4.165 3.994 0.171 1
1 898 . 11 1 1 A 78 78 GLU CB C 78 29.469 28.493 0.976 1
1 904 . 11 1 1 A 78 78 GLU C C 78 177.275 178.117 -0.842 1
1 905 . 11 1 1 A 79 79 CYS N N 79 114.728 114.655 0.073 1
1 906 . 11 1 1 A 79 79 CYS H H 79 8.018 7.501 0.517 1
1 907 . 11 1 1 A 79 79 CYS CA C 79 58.271 59.693 -1.422 1
1 908 . 11 1 1 A 79 79 CYS HA H 79 5.142 4.653 0.489 1
1 909 . 11 1 1 A 79 79 CYS CB C 79 32.339 29.988 2.351 1
1 912 . 11 1 1 A 79 79 CYS C C 79 176.280 175.937 0.343 1
1 913 . 11 1 1 A 80 80 GLY N N 80 113.675 110.783 2.892 1
1 914 . 11 1 1 A 80 80 GLY H H 80 8.133 8.294 -0.161 1
1 915 . 11 1 1 A 80 80 GLY CA C 80 46.206 46.736 -0.530 1
1 916 . 11 1 1 A 80 80 GLY HA2 H 80 4.213 4.009 0.204 1
1 917 . 11 1 1 A 80 80 GLY HA3 H 80 3.755 4.077 -0.322 1
1 918 . 11 1 1 A 80 80 GLY C C 80 173.619 174.992 -1.373 1
1 919 . 11 1 1 A 81 81 LYS N N 81 122.811 119.512 3.299 1
1 920 . 11 1 1 A 81 81 LYS H H 81 7.945 7.544 0.401 1
1 921 . 11 1 1 A 81 81 LYS CA C 81 58.211 55.478 2.733 1
1 922 . 11 1 1 A 81 81 LYS HA H 81 3.947 4.308 -0.361 1
1 923 . 11 1 1 A 81 81 LYS CB C 81 33.921 33.443 0.478 1
1 935 . 11 1 1 A 81 81 LYS C C 81 174.639 177.028 -2.389 1
1 936 . 11 1 1 A 82 82 GLY N N 82 108.366 110.176 -1.810 1
1 937 . 11 1 1 A 82 82 GLY H H 82 7.936 8.504 -0.568 1
1 938 . 11 1 1 A 82 82 GLY CA C 82 44.048 46.582 -2.534 1
1 939 . 11 1 1 A 82 82 GLY HA2 H 82 4.847 3.873 0.974 1
1 940 . 11 1 1 A 82 82 GLY HA3 H 82 3.291 3.929 -0.638 1
1 941 . 11 1 1 A 82 82 GLY C C 82 172.166 173.700 -1.534 1
1 942 . 11 1 1 A 83 83 PHE N N 83 117.822 121.476 -3.654 1
1 943 . 11 1 1 A 83 83 PHE H H 83 8.697 7.578 1.119 1
1 944 . 11 1 1 A 83 83 PHE CA C 83 57.338 58.752 -1.414 1
1 945 . 11 1 1 A 83 83 PHE HA H 83 4.755 4.467 0.288 1
1 946 . 11 1 1 A 83 83 PHE CB C 83 43.462 39.662 3.800 1
1 959 . 11 1 1 A 83 83 PHE C C 83 175.424 175.544 -0.120 1
1 960 . 11 1 1 A 84 84 CYS CA C 84 60.706 60.553 0.153 1
1 961 . 11 1 1 A 84 84 CYS HA H 84 4.608 4.667 -0.059 1
1 962 . 11 1 1 A 84 84 CYS CB C 84 28.990 29.709 -0.719 1
1 965 . 11 1 1 A 84 84 CYS C C 84 174.163 174.988 -0.825 1
1 966 . 11 1 1 A 85 85 GLN N N 85 114.620 119.339 -4.719 1
1 967 . 11 1 1 A 85 85 GLN H H 85 7.326 7.878 -0.552 1
1 968 . 11 1 1 A 85 85 GLN CA C 85 54.098 54.917 -0.819 1
1 969 . 11 1 1 A 85 85 GLN HA H 85 4.648 4.591 0.057 1
1 970 . 11 1 1 A 85 85 GLN CB C 85 32.066 30.262 1.804 1
1 979 . 11 1 1 A 85 85 GLN C C 85 175.230 176.113 -0.883 1
1 980 . 11 1 1 A 86 86 SER CA C 86 61.164 61.731 -0.567 1
1 981 . 11 1 1 A 86 86 SER HA H 86 3.078 4.402 -1.324 1
1 982 . 11 1 1 A 86 86 SER CB C 86 61.738 63.624 -1.886 1
1 985 . 11 1 1 A 87 87 ARG CA C 87 58.886 59.068 -0.182 1
1 986 . 11 1 1 A 87 87 ARG HA H 87 4.049 3.984 0.065 1
1 987 . 11 1 1 A 87 87 ARG CB C 87 29.519 30.042 -0.523 1
1 996 . 11 1 1 A 87 87 ARG C C 87 177.520 178.050 -0.530 1
1 997 . 11 1 1 A 88 88 THR N N 88 112.500 113.705 -1.205 1
1 998 . 11 1 1 A 88 88 THR H H 88 6.796 8.324 -1.528 1
1 999 . 11 1 1 A 88 88 THR CA C 88 64.598 65.695 -1.097 1
1 1000 . 11 1 1 A 88 88 THR HA H 88 3.844 4.117 -0.273 1
1 1001 . 11 1 1 A 88 88 THR CB C 88 67.809 68.272 -0.463 1
1 1007 . 11 1 1 A 88 88 THR C C 88 177.343 176.629 0.714 1
1 1008 . 11 1 1 A 89 89 LEU N N 89 123.163 123.664 -0.501 1
1 1009 . 11 1 1 A 89 89 LEU H H 89 6.898 7.832 -0.934 1
1 1010 . 11 1 1 A 89 89 LEU CA C 89 57.692 57.627 0.065 1
1 1011 . 11 1 1 A 89 89 LEU HA H 89 3.147 3.472 -0.325 1
1 1012 . 11 1 1 A 89 89 LEU CB C 89 40.133 41.058 -0.925 1
1 1025 . 11 1 1 A 89 89 LEU C C 89 176.886 178.359 -1.473 1
1 1026 . 11 1 1 A 90 90 ALA N N 90 120.747 120.341 0.406 1
1 1027 . 11 1 1 A 90 90 ALA H H 90 7.837 8.077 -0.240 1
1 1028 . 11 1 1 A 90 90 ALA CA C 90 55.646 55.241 0.405 1
1 1029 . 11 1 1 A 90 90 ALA HA H 90 3.914 3.886 0.028 1
1 1030 . 11 1 1 A 90 90 ALA CB C 90 17.722 18.179 -0.457 1
1 1034 . 11 1 1 A 90 90 ALA C C 90 180.692 180.167 0.525 1
1 1035 . 11 1 1 A 91 91 VAL N N 91 117.181 118.225 -1.044 1
1 1036 . 11 1 1 A 91 91 VAL H H 91 7.475 7.639 -0.164 1
1 1037 . 11 1 1 A 91 91 VAL CA C 91 65.880 66.317 -0.437 1
1 1038 . 11 1 1 A 91 91 VAL HA H 91 3.662 3.756 -0.094 1
1 1039 . 11 1 1 A 91 91 VAL CB C 91 32.018 31.578 0.440 1
1 1049 . 11 1 1 A 91 91 VAL C C 91 178.708 178.213 0.495 1
1 1050 . 11 1 1 A 92 92 HIS N N 92 121.501 118.756 2.745 1
1 1051 . 11 1 1 A 92 92 HIS H H 92 7.625 8.682 -1.057 1
1 1052 . 11 1 1 A 92 92 HIS CA C 92 59.553 59.976 -0.423 1
1 1053 . 11 1 1 A 92 92 HIS HA H 92 4.095 3.995 0.100 1
1 1054 . 11 1 1 A 92 92 HIS CB C 92 28.040 29.991 -1.951 1
1 1061 . 11 1 1 A 92 92 HIS C C 92 176.518 176.441 0.077 1
1 1062 . 11 1 1 A 93 93 LYS N N 93 116.162 117.102 -0.940 1
1 1063 . 11 1 1 A 93 93 LYS H H 93 8.372 7.850 0.522 1
1 1064 . 11 1 1 A 93 93 LYS CA C 93 60.253 59.486 0.767 1
1 1065 . 11 1 1 A 93 93 LYS HA H 93 3.732 3.666 0.066 1
1 1066 . 11 1 1 A 93 93 LYS CB C 93 32.158 32.364 -0.206 1
1 1078 . 11 1 1 A 93 93 LYS C C 93 179.211 178.404 0.807 1
1 1079 . 11 1 1 A 94 94 THR N N 94 111.607 113.793 -2.186 1
1 1080 . 11 1 1 A 94 94 THR H H 94 7.434 8.495 -1.061 1
1 1081 . 11 1 1 A 94 94 THR CA C 94 65.106 65.681 -0.575 1
1 1082 . 11 1 1 A 94 94 THR HA H 94 4.034 3.976 0.058 1
1 1083 . 11 1 1 A 94 94 THR CB C 94 69.075 68.043 1.032 1
1 1089 . 11 1 1 A 94 94 THR C C 94 176.406 176.816 -0.410 1
1 1090 . 11 1 1 A 95 95 LEU N N 95 121.689 123.110 -1.421 1
1 1091 . 11 1 1 A 95 95 LEU H H 95 7.725 7.904 -0.179 1
1 1092 . 11 1 1 A 95 95 LEU CA C 95 56.680 57.683 -1.003 1
1 1093 . 11 1 1 A 95 95 LEU HA H 95 4.020 3.929 0.091 1
1 1094 . 11 1 1 A 95 95 LEU CB C 95 41.186 41.716 -0.530 1
1 1107 . 11 1 1 A 95 95 LEU C C 95 178.956 177.932 1.024 1
1 1108 . 11 1 1 A 96 96 HIS N N 96 114.750 114.765 -0.015 1
1 1109 . 11 1 1 A 96 96 HIS H H 96 7.160 7.309 -0.149 1
1 1110 . 11 1 1 A 96 96 HIS CA C 96 55.206 54.575 0.631 1
1 1111 . 11 1 1 A 96 96 HIS HA H 96 4.730 4.746 -0.016 1
1 1112 . 11 1 1 A 96 96 HIS CB C 96 28.687 27.460 1.227 1
1 1119 . 11 1 1 A 96 96 HIS C C 96 175.230 173.360 1.870 1
1 1120 . 11 1 1 A 97 97 MET N N 97 118.984 116.037 2.947 1
1 1121 . 11 1 1 A 97 97 MET H H 97 7.626 7.880 -0.254 1
1 1122 . 11 1 1 A 97 97 MET CA C 97 55.995 53.258 2.737 1
1 1123 . 11 1 1 A 97 97 MET HA H 97 4.424 5.342 -0.918 1
1 1124 . 11 1 1 A 97 97 MET CB C 97 33.065 34.667 -1.602 1
1 1134 . 11 1 1 A 97 97 MET C C 97 176.174 174.833 1.341 1
1 1135 . 11 1 1 A 98 98 GLN N N 98 120.828 118.900 1.928 1
1 1136 . 11 1 1 A 98 98 GLN H H 98 8.271 8.760 -0.489 1
1 1137 . 11 1 1 A 98 98 GLN CA C 98 55.951 54.753 1.198 1
1 1138 . 11 1 1 A 98 98 GLN HA H 98 4.382 5.031 -0.649 1
1 1139 . 11 1 1 A 98 98 GLN CB C 98 29.364 32.323 -2.959 1
1 1148 . 11 1 1 A 98 98 GLN C C 98 176.242 173.629 2.613 1
1 1149 . 11 1 1 A 99 99 THR N N 99 114.965 119.880 -4.915 1
1 1150 . 11 1 1 A 99 99 THR H H 99 8.200 8.862 -0.662 1
1 1151 . 11 1 1 A 99 99 THR CA C 99 61.773 61.960 -0.187 1
1 1152 . 11 1 1 A 99 99 THR HA H 99 4.374 4.803 -0.429 1
1 1153 . 11 1 1 A 99 99 THR CB C 99 69.654 70.044 -0.390 1
1 1159 . 11 1 1 A 99 99 THR C C 99 174.491 174.253 0.238 1
1 1160 . 11 1 1 A 100 100 SER N N 100 118.047 122.243 -4.196 1
1 1161 . 11 1 1 A 100 100 SER H H 100 8.311 8.762 -0.451 1
1 1162 . 11 1 1 A 100 100 SER CA C 100 58.240 60.871 -2.631 1
1 1163 . 11 1 1 A 100 100 SER HA H 100 4.493 4.469 0.024 1
1 1164 . 11 1 1 A 100 100 SER CB C 100 63.843 63.434 0.409 1
1 1167 . 11 1 1 A 100 100 SER C C 100 174.152 174.238 -0.086 1
1 1168 . 11 1 1 A 101 101 SER N N 101 118.812 114.093 4.719 1
1 1169 . 11 1 1 A 101 101 SER H H 101 8.358 7.489 0.869 1
1 1170 . 11 1 1 A 101 101 SER CA C 101 56.348 56.816 -0.468 1
1 1171 . 11 1 1 A 101 101 SER HA H 101 4.773 4.459 0.314 1
1 1172 . 11 1 1 A 101 101 SER CB C 101 63.554 63.300 0.254 1
1 1175 . 11 1 1 A 101 101 SER C C 101 172.898 174.743 -1.845 1
1 1176 . 11 1 1 A 102 102 PRO CA C 102 63.453 64.087 -0.634 1
1 1177 . 11 1 1 A 102 102 PRO HA H 102 4.485 4.414 0.071 1
1 1178 . 11 1 1 A 102 102 PRO CB C 102 32.126 31.834 0.292 1
1 1187 . 11 1 1 A 102 102 PRO C C 102 177.181 176.820 0.361 1
1 1188 . 11 1 1 A 103 103 THR N N 103 114.257 110.603 3.654 1
1 1189 . 11 1 1 A 103 103 THR H H 103 8.188 8.023 0.165 1
1 1190 . 11 1 1 A 103 103 THR CA C 103 61.748 62.981 -1.233 1
1 1191 . 11 1 1 A 103 103 THR HA H 103 4.273 4.023 0.250 1
1 1192 . 11 1 1 A 103 103 THR CB C 103 69.833 66.372 3.461 1
1 1198 . 11 1 1 A 103 103 THR C C 103 174.258 174.807 -0.549 1
1 1199 . 11 1 1 A 104 104 ALA N N 104 126.872 122.705 4.167 1
1 1200 . 11 1 1 A 104 104 ALA H H 104 8.240 7.733 0.507 1
1 1201 . 11 1 1 A 104 104 ALA CA C 104 52.369 55.015 -2.646 1
1 1202 . 11 1 1 A 104 104 ALA HA H 104 4.316 4.061 0.255 1
1 1203 . 11 1 1 A 104 104 ALA CB C 104 19.417 19.422 -0.005 1
1 1207 . 11 1 1 A 104 104 ALA C C 104 177.129 177.415 -0.286 1
1 1208 . 11 1 1 A 105 105 ALA N N 105 124.353 116.063 8.290 1
1 1209 . 11 1 1 A 105 105 ALA H H 105 8.312 7.469 0.843 1
1 1210 . 11 1 1 A 105 105 ALA CA C 105 52.408 51.787 0.621 1
1 1211 . 11 1 1 A 105 105 ALA HA H 105 4.327 4.532 -0.205 1
1 1212 . 11 1 1 A 105 105 ALA CB C 105 19.416 22.187 -2.771 1
1 1216 . 11 1 1 A 105 105 ALA C C 105 176.902 175.225 1.677 1
1 1 . 12 1 1 A 8 8 GLY CA C 8 45.171 45.791 -0.620 1
1 2 . 12 1 1 A 8 8 GLY HA2 H 8 3.976 4.481 -0.505 1
1 3 . 12 1 1 A 8 8 GLY HA3 H 8 3.976 4.481 -0.505 1
1 4 . 12 1 1 A 8 8 GLY C C 8 173.956 172.136 1.820 1
1 5 . 12 1 1 A 9 9 ARG N N 9 120.445 116.918 3.527 1
1 6 . 12 1 1 A 9 9 ARG H H 9 8.126 8.721 -0.595 1
1 7 . 12 1 1 A 9 9 ARG CA C 9 55.873 54.988 0.885 1
1 8 . 12 1 1 A 9 9 ARG HA H 9 4.318 5.051 -0.733 1
1 9 . 12 1 1 A 9 9 ARG CB C 9 30.899 33.728 -2.829 1
1 18 . 12 1 1 A 9 9 ARG C C 9 176.192 174.264 1.928 1
1 19 . 12 1 1 A 10 10 LEU N N 10 125.156 123.969 1.187 1
1 20 . 12 1 1 A 10 10 LEU H H 10 8.357 8.870 -0.513 1
1 21 . 12 1 1 A 10 10 LEU CA C 10 53.058 52.567 0.491 1
1 22 . 12 1 1 A 10 10 LEU HA H 10 4.589 4.710 -0.121 1
1 23 . 12 1 1 A 10 10 LEU CB C 10 41.599 41.423 0.176 1
1 36 . 12 1 1 A 10 10 LEU C C 10 175.327 174.609 0.718 1
1 37 . 12 1 1 A 11 11 PRO CA C 11 63.064 62.369 0.695 1
1 38 . 12 1 1 A 11 11 PRO HA H 11 4.416 4.616 -0.200 1
1 39 . 12 1 1 A 11 11 PRO CB C 11 32.095 32.918 -0.823 1
1 48 . 12 1 1 A 13 13 LYS CA C 13 56.353 56.134 0.219 1
1 49 . 12 1 1 A 13 13 LYS HA H 13 4.383 4.737 -0.354 1
1 50 . 12 1 1 A 13 13 LYS CB C 13 33.019 33.980 -0.961 1
1 62 . 12 1 1 A 13 13 LYS C C 13 176.694 176.413 0.281 1
1 63 . 12 1 1 A 14 14 THR N N 14 115.691 113.440 2.251 1
1 64 . 12 1 1 A 14 14 THR H H 14 8.140 8.914 -0.774 1
1 65 . 12 1 1 A 14 14 THR CA C 14 61.919 60.574 1.345 1
1 66 . 12 1 1 A 14 14 THR HA H 14 4.265 5.227 -0.962 1
1 67 . 12 1 1 A 14 14 THR CB C 14 69.860 70.891 -1.031 1
1 73 . 12 1 1 A 14 14 THR C C 14 174.261 173.648 0.613 1
1 74 . 12 1 1 A 15 15 LYS N N 15 124.645 125.674 -1.029 1
1 75 . 12 1 1 A 15 15 LYS H H 15 8.323 8.807 -0.484 1
1 76 . 12 1 1 A 15 15 LYS CA C 15 56.226 54.620 1.606 1
1 77 . 12 1 1 A 15 15 LYS HA H 15 4.278 5.008 -0.730 1
1 78 . 12 1 1 A 15 15 LYS CB C 15 33.220 36.804 -3.584 1
1 90 . 12 1 1 A 15 15 LYS C C 15 175.921 175.111 0.810 1
1 91 . 12 1 1 A 16 16 LYS N N 16 123.830 118.870 4.960 1
1 92 . 12 1 1 A 16 16 LYS H H 16 8.332 8.594 -0.262 1
1 93 . 12 1 1 A 16 16 LYS CA C 16 55.966 54.736 1.230 1
1 94 . 12 1 1 A 16 16 LYS HA H 16 4.192 5.185 -0.993 1
1 95 . 12 1 1 A 16 16 LYS CB C 16 33.028 35.154 -2.126 1
1 107 . 12 1 1 A 16 16 LYS C C 16 175.334 175.297 0.037 1
1 108 . 12 1 1 A 17 17 GLU N N 17 121.077 117.602 3.475 1
1 109 . 12 1 1 A 17 17 GLU H H 17 7.931 8.808 -0.877 1
1 110 . 12 1 1 A 17 17 GLU CA C 17 55.463 55.189 0.274 1
1 111 . 12 1 1 A 17 17 GLU HA H 17 4.300 4.883 -0.583 1
1 112 . 12 1 1 A 17 17 GLU CB C 17 31.984 32.136 -0.152 1
1 118 . 12 1 1 A 17 17 GLU C C 17 174.646 174.517 0.129 1
1 119 . 12 1 1 A 18 18 PHE N N 18 121.605 118.175 3.430 1
1 120 . 12 1 1 A 18 18 PHE H H 18 8.560 8.930 -0.370 1
1 121 . 12 1 1 A 18 18 PHE CA C 18 56.963 57.377 -0.414 1
1 122 . 12 1 1 A 18 18 PHE HA H 18 4.675 5.039 -0.364 1
1 123 . 12 1 1 A 18 18 PHE CB C 18 39.653 41.367 -1.714 1
1 134 . 12 1 1 A 18 18 PHE C C 18 173.933 175.432 -1.499 1
1 135 . 12 1 1 A 19 19 ILE N N 19 123.977 119.691 4.286 1
1 136 . 12 1 1 A 19 19 ILE H H 19 8.425 8.789 -0.364 1
1 137 . 12 1 1 A 19 19 ILE CA C 19 59.740 59.676 0.064 1
1 138 . 12 1 1 A 19 19 ILE HA H 19 4.654 5.121 -0.467 1
1 139 . 12 1 1 A 19 19 ILE CB C 19 41.000 41.534 -0.534 1
1 152 . 12 1 1 A 19 19 ILE C C 19 175.584 175.078 0.506 1
1 153 . 12 1 1 A 20 20 CYS N N 20 129.741 127.408 2.333 1
1 154 . 12 1 1 A 20 20 CYS H H 20 9.224 8.898 0.326 1
1 155 . 12 1 1 A 20 20 CYS CA C 20 59.974 59.322 0.652 1
1 156 . 12 1 1 A 20 20 CYS HA H 20 4.827 4.510 0.317 1
1 157 . 12 1 1 A 20 20 CYS CB C 20 30.335 29.100 1.235 1
1 160 . 12 1 1 A 20 20 CYS C C 20 178.043 175.770 2.273 1
1 161 . 12 1 1 A 21 21 LYS N N 21 132.598 122.719 9.879 1
1 162 . 12 1 1 A 21 21 LYS H H 21 9.473 8.562 0.911 1
1 163 . 12 1 1 A 21 21 LYS CA C 21 58.099 56.996 1.103 1
1 164 . 12 1 1 A 21 21 LYS HA H 21 4.104 4.485 -0.381 1
1 165 . 12 1 1 A 21 21 LYS CB C 21 31.695 33.936 -2.241 1
1 177 . 12 1 1 A 21 21 LYS C C 21 175.765 178.412 -2.647 1
1 178 . 12 1 1 A 22 22 PHE N N 22 121.000 117.946 3.054 1
1 179 . 12 1 1 A 22 22 PHE H H 22 9.158 7.778 1.380 1
1 180 . 12 1 1 A 22 22 PHE CA C 22 59.743 59.872 -0.129 1
1 181 . 12 1 1 A 22 22 PHE HA H 22 4.394 4.162 0.232 1
1 182 . 12 1 1 A 22 22 PHE CB C 22 37.953 37.504 0.449 1
1 195 . 12 1 1 A 22 22 PHE C C 22 176.819 177.328 -0.509 1
1 196 . 12 1 1 A 23 23 CYS N N 23 115.955 113.755 2.200 1
1 197 . 12 1 1 A 23 23 CYS H H 23 8.410 7.961 0.449 1
1 198 . 12 1 1 A 23 23 CYS CA C 23 58.486 59.620 -1.134 1
1 199 . 12 1 1 A 23 23 CYS HA H 23 5.262 4.658 0.604 1
1 200 . 12 1 1 A 23 23 CYS CB C 23 33.092 30.137 2.955 1
1 203 . 12 1 1 A 23 23 CYS C C 23 176.770 175.952 0.818 1
1 204 . 12 1 1 A 24 24 GLY N N 24 112.575 111.122 1.453 1
1 205 . 12 1 1 A 24 24 GLY H H 24 8.092 8.260 -0.168 1
1 206 . 12 1 1 A 24 24 GLY CA C 24 46.302 46.243 0.059 1
1 207 . 12 1 1 A 24 24 GLY HA2 H 24 4.238 3.977 0.261 1
1 208 . 12 1 1 A 24 24 GLY HA3 H 24 3.776 3.987 -0.211 1
1 209 . 12 1 1 A 24 24 GLY C C 24 173.621 174.708 -1.087 1
1 210 . 12 1 1 A 25 25 ARG N N 25 122.678 121.600 1.078 1
1 211 . 12 1 1 A 25 25 ARG H H 25 8.079 8.032 0.047 1
1 212 . 12 1 1 A 25 25 ARG CA C 25 58.063 55.434 2.629 1
1 213 . 12 1 1 A 25 25 ARG HA H 25 4.096 4.753 -0.657 1
1 214 . 12 1 1 A 25 25 ARG CB C 25 31.628 31.793 -0.165 1
1 223 . 12 1 1 A 25 25 ARG C C 25 174.641 175.432 -0.791 1
1 224 . 12 1 1 A 26 26 HIS N N 26 121.510 121.463 0.047 1
1 225 . 12 1 1 A 26 26 HIS H H 26 8.454 9.017 -0.563 1
1 226 . 12 1 1 A 26 26 HIS CA C 26 55.553 54.420 1.133 1
1 227 . 12 1 1 A 26 26 HIS HA H 26 5.166 5.488 -0.322 1
1 228 . 12 1 1 A 26 26 HIS CB C 26 32.066 32.416 -0.350 1
1 235 . 12 1 1 A 26 26 HIS C C 26 174.732 174.275 0.457 1
1 236 . 12 1 1 A 27 27 PHE N N 27 119.065 120.094 -1.029 1
1 237 . 12 1 1 A 27 27 PHE H H 27 9.035 8.658 0.377 1
1 238 . 12 1 1 A 27 27 PHE CA C 27 57.515 56.414 1.101 1
1 239 . 12 1 1 A 27 27 PHE HA H 27 4.724 4.830 -0.106 1
1 240 . 12 1 1 A 27 27 PHE CB C 27 43.276 42.312 0.964 1
1 253 . 12 1 1 A 27 27 PHE C C 27 175.205 175.737 -0.532 1
1 254 . 12 1 1 A 28 28 THR CA C 28 62.856 64.664 -1.808 1
1 255 . 12 1 1 A 28 28 THR HA H 28 4.691 4.206 0.485 1
1 256 . 12 1 1 A 28 28 THR CB C 28 69.897 69.009 0.888 1
1 262 . 12 1 1 A 28 28 THR C C 28 174.714 175.141 -0.427 1
1 263 . 12 1 1 A 29 29 LYS N N 29 118.993 122.511 -3.518 1
1 264 . 12 1 1 A 29 29 LYS H H 29 7.456 7.957 -0.501 1
1 265 . 12 1 1 A 29 29 LYS CA C 29 54.239 54.953 -0.714 1
1 266 . 12 1 1 A 29 29 LYS HA H 29 4.573 4.603 -0.030 1
1 267 . 12 1 1 A 29 29 LYS CB C 29 35.412 33.395 2.017 1
1 279 . 12 1 1 A 29 29 LYS C C 29 176.395 177.043 -0.648 1
1 280 . 12 1 1 A 30 30 SER CA C 30 60.921 61.228 -0.307 1
1 281 . 12 1 1 A 30 30 SER HA H 30 3.025 4.122 -1.097 1
1 282 . 12 1 1 A 30 30 SER CB C 30 61.703 62.812 -1.109 1
1 285 . 12 1 1 A 31 31 TYR CA C 31 60.807 60.299 0.508 1
1 286 . 12 1 1 A 31 31 TYR HA H 31 4.101 4.234 -0.133 1
1 287 . 12 1 1 A 31 31 TYR CB C 31 38.408 37.932 0.476 1
1 298 . 12 1 1 A 31 31 TYR C C 31 176.455 177.542 -1.087 1
1 299 . 12 1 1 A 32 32 ASN N N 32 114.304 120.191 -5.887 1
1 300 . 12 1 1 A 32 32 ASN H H 32 6.481 7.174 -0.693 1
1 301 . 12 1 1 A 32 32 ASN CA C 32 55.198 56.105 -0.907 1
1 302 . 12 1 1 A 32 32 ASN HA H 32 4.283 4.064 0.219 1
1 303 . 12 1 1 A 32 32 ASN CB C 32 37.912 39.153 -1.241 1
1 309 . 12 1 1 A 32 32 ASN C C 32 177.633 177.325 0.308 1
1 310 . 12 1 1 A 33 33 LEU N N 33 121.854 120.274 1.580 1
1 311 . 12 1 1 A 33 33 LEU H H 33 7.002 7.470 -0.468 1
1 312 . 12 1 1 A 33 33 LEU CA C 33 57.820 58.111 -0.291 1
1 313 . 12 1 1 A 33 33 LEU HA H 33 2.922 3.116 -0.194 1
1 314 . 12 1 1 A 33 33 LEU CB C 33 40.350 41.344 -0.994 1
1 327 . 12 1 1 A 33 33 LEU C C 33 176.900 177.994 -1.094 1
1 328 . 12 1 1 A 34 34 LEU N N 34 120.140 116.324 3.816 1
1 329 . 12 1 1 A 34 34 LEU H H 34 7.795 7.973 -0.178 1
1 330 . 12 1 1 A 34 34 LEU CA C 34 58.506 57.977 0.529 1
1 331 . 12 1 1 A 34 34 LEU HA H 34 3.933 4.063 -0.130 1
1 332 . 12 1 1 A 34 34 LEU CB C 34 41.523 41.551 -0.028 1
1 345 . 12 1 1 A 34 34 LEU C C 34 179.914 178.992 0.922 1
1 346 . 12 1 1 A 35 35 ILE N N 35 116.693 120.285 -3.592 1
1 347 . 12 1 1 A 35 35 ILE H H 35 7.368 7.773 -0.405 1
1 348 . 12 1 1 A 35 35 ILE CA C 35 63.641 65.303 -1.662 1
1 349 . 12 1 1 A 35 35 ILE HA H 35 3.533 3.541 -0.008 1
1 350 . 12 1 1 A 35 35 ILE CB C 35 37.380 37.718 -0.338 1
1 363 . 12 1 1 A 35 35 ILE C C 35 178.700 178.146 0.554 1
1 364 . 12 1 1 A 36 36 HIS N N 36 119.039 119.350 -0.311 1
1 365 . 12 1 1 A 36 36 HIS H H 36 7.424 8.348 -0.924 1
1 366 . 12 1 1 A 36 36 HIS CA C 36 59.486 60.305 -0.819 1
1 367 . 12 1 1 A 36 36 HIS HA H 36 4.282 4.106 0.176 1
1 368 . 12 1 1 A 36 36 HIS CB C 36 28.563 29.744 -1.181 1
1 375 . 12 1 1 A 36 36 HIS C C 36 178.907 177.098 1.809 1
1 376 . 12 1 1 A 37 37 GLU N N 37 122.627 117.202 5.425 1
1 377 . 12 1 1 A 37 37 GLU H H 37 9.459 8.291 1.168 1
1 378 . 12 1 1 A 37 37 GLU CA C 37 61.473 59.928 1.545 1
1 379 . 12 1 1 A 37 37 GLU HA H 37 3.922 3.809 0.113 1
1 380 . 12 1 1 A 37 37 GLU CB C 37 30.028 29.265 0.763 1
1 386 . 12 1 1 A 37 37 GLU C C 37 178.840 179.562 -0.722 1
1 387 . 12 1 1 A 38 38 ARG N N 38 116.143 119.772 -3.629 1
1 388 . 12 1 1 A 38 38 ARG H H 38 7.244 7.659 -0.415 1
1 389 . 12 1 1 A 38 38 ARG CA C 38 58.258 59.302 -1.044 1
1 390 . 12 1 1 A 38 38 ARG HA H 38 4.129 3.960 0.169 1
1 391 . 12 1 1 A 38 38 ARG CB C 38 30.054 30.207 -0.153 1
1 400 . 12 1 1 A 38 38 ARG C C 38 177.863 179.782 -1.919 1
1 401 . 12 1 1 A 39 39 THR N N 39 109.313 113.948 -4.635 1
1 402 . 12 1 1 A 39 39 THR H H 39 7.639 8.133 -0.494 1
1 403 . 12 1 1 A 39 39 THR CA C 39 63.892 64.174 -0.282 1
1 404 . 12 1 1 A 39 39 THR HA H 39 4.075 3.914 0.161 1
1 405 . 12 1 1 A 39 39 THR CB C 39 69.337 68.384 0.953 1
1 411 . 12 1 1 A 39 39 THR C C 39 175.843 175.603 0.240 1
1 412 . 12 1 1 A 40 40 HIS N N 40 119.019 116.564 2.455 1
1 413 . 12 1 1 A 40 40 HIS H H 40 7.046 6.894 0.152 1
1 414 . 12 1 1 A 40 40 HIS CA C 40 55.942 58.367 -2.425 1
1 415 . 12 1 1 A 40 40 HIS HA H 40 4.410 4.232 0.178 1
1 416 . 12 1 1 A 40 40 HIS CB C 40 27.446 30.422 -2.976 1
1 423 . 12 1 1 A 40 40 HIS C C 40 175.528 175.327 0.201 1
1 424 . 12 1 1 A 41 41 THR N N 41 111.847 110.759 1.088 1
1 425 . 12 1 1 A 41 41 THR H H 41 7.579 6.997 0.582 1
1 426 . 12 1 1 A 41 41 THR CA C 41 62.200 62.220 -0.020 1
1 427 . 12 1 1 A 41 41 THR HA H 41 4.152 4.068 0.084 1
1 428 . 12 1 1 A 41 41 THR CB C 41 69.440 69.067 0.373 1
1 434 . 12 1 1 A 41 41 THR C C 41 174.484 174.119 0.365 1
1 435 . 12 1 1 A 42 42 ASP N N 42 122.207 126.446 -4.239 1
1 436 . 12 1 1 A 42 42 ASP H H 42 8.191 8.660 -0.469 1
1 437 . 12 1 1 A 42 42 ASP CA C 42 54.373 52.814 1.559 1
1 438 . 12 1 1 A 42 42 ASP HA H 42 4.524 4.990 -0.466 1
1 439 . 12 1 1 A 42 42 ASP CB C 42 41.045 41.587 -0.542 1
1 442 . 12 1 1 A 42 42 ASP C C 42 175.869 176.689 -0.820 1
1 443 . 12 1 1 A 43 43 GLU N N 43 120.562 123.226 -2.664 1
1 444 . 12 1 1 A 43 43 GLU H H 43 8.064 8.810 -0.746 1
1 445 . 12 1 1 A 43 43 GLU CA C 43 57.378 57.961 -0.583 1
1 446 . 12 1 1 A 43 43 GLU HA H 43 4.098 4.267 -0.169 1
1 447 . 12 1 1 A 43 43 GLU CB C 43 30.262 29.959 0.303 1
1 453 . 12 1 1 A 43 43 GLU C C 43 176.313 176.399 -0.086 1
1 454 . 12 1 1 A 44 44 ARG N N 44 120.015 117.083 2.932 1
1 455 . 12 1 1 A 44 44 ARG H H 44 8.190 7.488 0.702 1
1 456 . 12 1 1 A 44 44 ARG CA C 44 53.266 53.879 -0.613 1
1 457 . 12 1 1 A 44 44 ARG HA H 44 4.533 4.685 -0.152 1
1 458 . 12 1 1 A 44 44 ARG CB C 44 30.702 32.381 -1.679 1
1 467 . 12 1 1 A 44 44 ARG C C 44 173.360 175.376 -2.016 1
1 468 . 12 1 1 A 45 45 PRO CA C 45 63.459 64.926 -1.467 1
1 469 . 12 1 1 A 45 45 PRO HA H 45 4.298 4.264 0.034 1
1 470 . 12 1 1 A 45 45 PRO CB C 45 32.219 31.628 0.591 1
1 479 . 12 1 1 A 45 45 PRO C C 45 176.492 176.077 0.415 1
1 480 . 12 1 1 A 46 46 TYR N N 46 119.184 117.788 1.396 1
1 481 . 12 1 1 A 46 46 TYR H H 46 7.840 7.450 0.390 1
1 482 . 12 1 1 A 46 46 TYR CA C 46 57.533 58.008 -0.475 1
1 483 . 12 1 1 A 46 46 TYR HA H 46 4.757 4.679 0.078 1
1 484 . 12 1 1 A 46 46 TYR CB C 46 38.646 37.920 0.726 1
1 495 . 12 1 1 A 46 46 TYR C C 46 175.414 175.586 -0.172 1
1 496 . 12 1 1 A 47 47 THR N N 47 117.631 118.716 -1.085 1
1 497 . 12 1 1 A 47 47 THR H H 47 8.607 8.409 0.198 1
1 498 . 12 1 1 A 47 47 THR CA C 47 60.593 61.108 -0.515 1
1 499 . 12 1 1 A 47 47 THR HA H 47 5.130 5.232 -0.102 1
1 500 . 12 1 1 A 47 47 THR CB C 47 71.076 72.112 -1.036 1
1 506 . 12 1 1 A 47 47 THR C C 47 173.697 173.620 0.077 1
1 507 . 12 1 1 A 48 48 CYS N N 48 127.009 126.474 0.535 1
1 508 . 12 1 1 A 48 48 CYS H H 48 9.072 8.905 0.167 1
1 509 . 12 1 1 A 48 48 CYS CA C 48 60.153 59.191 0.962 1
1 510 . 12 1 1 A 48 48 CYS HA H 48 4.422 4.584 -0.162 1
1 511 . 12 1 1 A 48 48 CYS CB C 48 29.832 28.881 0.951 1
1 514 . 12 1 1 A 48 48 CYS C C 48 176.023 174.681 1.342 1
1 515 . 12 1 1 A 49 49 ASP N N 49 129.691 124.077 5.614 1
1 516 . 12 1 1 A 49 49 ASP H H 49 9.129 8.839 0.290 1
1 517 . 12 1 1 A 49 49 ASP CA C 49 55.499 54.820 0.679 1
1 518 . 12 1 1 A 49 49 ASP HA H 49 4.353 4.542 -0.189 1
1 519 . 12 1 1 A 49 49 ASP CB C 49 39.656 42.203 -2.547 1
1 522 . 12 1 1 A 49 49 ASP C C 49 175.094 177.180 -2.086 1
1 523 . 12 1 1 A 50 50 ILE N N 50 121.649 116.160 5.489 1
1 524 . 12 1 1 A 50 50 ILE H H 50 8.661 7.343 1.318 1
1 525 . 12 1 1 A 50 50 ILE CA C 50 62.888 62.645 0.243 1
1 526 . 12 1 1 A 50 50 ILE HA H 50 3.837 3.942 -0.105 1
1 527 . 12 1 1 A 50 50 ILE CB C 50 38.652 38.231 0.421 1
1 540 . 12 1 1 A 50 50 ILE C C 50 176.439 177.663 -1.224 1
1 541 . 12 1 1 A 51 51 CYS N N 51 116.341 117.256 -0.915 1
1 542 . 12 1 1 A 51 51 CYS H H 51 7.973 7.772 0.201 1
1 543 . 12 1 1 A 51 51 CYS CA C 51 58.192 59.511 -1.319 1
1 544 . 12 1 1 A 51 51 CYS HA H 51 4.922 4.471 0.451 1
1 545 . 12 1 1 A 51 51 CYS CB C 51 32.086 27.904 4.182 1
1 548 . 12 1 1 A 51 51 CYS C C 51 175.814 174.792 1.022 1
1 549 . 12 1 1 A 52 52 HIS N N 52 116.961 115.741 1.220 1
1 550 . 12 1 1 A 52 52 HIS H H 52 7.714 7.835 -0.121 1
1 551 . 12 1 1 A 52 52 HIS CA C 52 58.187 56.321 1.866 1
1 552 . 12 1 1 A 52 52 HIS HA H 52 4.521 4.197 0.324 1
1 553 . 12 1 1 A 52 52 HIS CB C 52 27.079 27.001 0.078 1
1 560 . 12 1 1 A 52 52 HIS C C 52 174.215 174.524 -0.309 1
1 561 . 12 1 1 A 53 53 LYS N N 53 122.651 118.297 4.354 1
1 562 . 12 1 1 A 53 53 LYS H H 53 7.902 8.170 -0.268 1
1 563 . 12 1 1 A 53 53 LYS CA C 53 58.205 55.192 3.013 1
1 564 . 12 1 1 A 53 53 LYS HA H 53 4.051 4.365 -0.314 1
1 565 . 12 1 1 A 53 53 LYS CB C 53 33.868 33.579 0.289 1
1 577 . 12 1 1 A 53 53 LYS C C 53 173.816 175.646 -1.830 1
1 578 . 12 1 1 A 54 54 ALA N N 54 124.589 120.866 3.723 1
1 579 . 12 1 1 A 54 54 ALA H H 54 7.885 8.196 -0.311 1
1 580 . 12 1 1 A 54 54 ALA CA C 54 50.573 49.880 0.693 1
1 581 . 12 1 1 A 54 54 ALA HA H 54 5.098 5.828 -0.730 1
1 582 . 12 1 1 A 54 54 ALA CB C 54 22.290 22.381 -0.091 1
1 586 . 12 1 1 A 54 54 ALA C C 54 176.763 175.191 1.572 1
1 587 . 12 1 1 A 55 55 PHE N N 55 117.946 118.902 -0.956 1
1 588 . 12 1 1 A 55 55 PHE H H 55 9.044 8.935 0.109 1
1 589 . 12 1 1 A 55 55 PHE CA C 55 57.320 56.294 1.026 1
1 590 . 12 1 1 A 55 55 PHE HA H 55 4.724 4.895 -0.171 1
1 591 . 12 1 1 A 55 55 PHE CB C 55 43.710 41.057 2.653 1
1 604 . 12 1 1 A 55 55 PHE C C 55 175.251 175.537 -0.286 1
1 605 . 12 1 1 A 56 56 ARG N N 56 119.843 126.224 -6.381 1
1 606 . 12 1 1 A 56 56 ARG H H 56 9.587 8.809 0.778 1
1 607 . 12 1 1 A 56 56 ARG CA C 56 58.117 59.410 -1.293 1
1 608 . 12 1 1 A 56 56 ARG HA H 56 4.603 3.812 0.791 1
1 609 . 12 1 1 A 56 56 ARG CB C 56 31.741 29.978 1.763 1
1 618 . 12 1 1 A 56 56 ARG C C 56 176.201 175.656 0.545 1
1 619 . 12 1 1 A 57 57 ARG N N 57 113.134 117.636 -4.502 1
1 620 . 12 1 1 A 57 57 ARG H H 57 7.273 7.515 -0.242 1
1 621 . 12 1 1 A 57 57 ARG CA C 57 53.978 55.079 -1.101 1
1 622 . 12 1 1 A 57 57 ARG HA H 57 4.650 4.281 0.369 1
1 623 . 12 1 1 A 57 57 ARG CB C 57 34.701 30.972 3.729 1
1 632 . 12 1 1 A 57 57 ARG C C 57 176.296 176.490 -0.194 1
1 633 . 12 1 1 A 58 58 GLN N N 58 124.070 124.143 -0.073 1
1 634 . 12 1 1 A 58 58 GLN H H 58 8.583 8.902 -0.319 1
1 635 . 12 1 1 A 58 58 GLN CA C 58 59.036 58.977 0.059 1
1 636 . 12 1 1 A 58 58 GLN HA H 58 3.004 3.891 -0.887 1
1 637 . 12 1 1 A 58 58 GLN CB C 58 28.229 28.597 -0.368 1
1 646 . 12 1 1 A 58 58 GLN C C 58 177.925 177.159 0.766 1
1 647 . 12 1 1 A 59 59 ASP CA C 59 56.406 57.103 -0.697 1
1 648 . 12 1 1 A 59 59 ASP HA H 59 4.046 4.328 -0.282 1
1 649 . 12 1 1 A 59 59 ASP CB C 59 38.248 41.804 -3.556 1
1 652 . 12 1 1 A 59 59 ASP C C 59 177.698 178.376 -0.678 1
1 653 . 12 1 1 A 60 60 HIS N N 60 119.173 118.232 0.941 1
1 654 . 12 1 1 A 60 60 HIS H H 60 6.954 7.977 -1.023 1
1 655 . 12 1 1 A 60 60 HIS CA C 60 56.843 59.783 -2.940 1
1 656 . 12 1 1 A 60 60 HIS HA H 60 4.432 4.444 -0.012 1
1 657 . 12 1 1 A 60 60 HIS CB C 60 31.752 30.194 1.558 1
1 664 . 12 1 1 A 60 60 HIS C C 60 178.617 177.887 0.730 1
1 665 . 12 1 1 A 61 61 LEU N N 61 120.844 121.166 -0.322 1
1 666 . 12 1 1 A 61 61 LEU H H 61 6.979 8.090 -1.111 1
1 667 . 12 1 1 A 61 61 LEU CA C 61 57.728 56.617 1.111 1
1 668 . 12 1 1 A 61 61 LEU HA H 61 3.145 3.168 -0.023 1
1 669 . 12 1 1 A 61 61 LEU CB C 61 40.153 42.362 -2.209 1
1 682 . 12 1 1 A 61 61 LEU C C 61 176.855 178.013 -1.158 1
1 683 . 12 1 1 A 62 62 ARG N N 62 120.225 119.566 0.659 1
1 684 . 12 1 1 A 62 62 ARG H H 62 8.012 8.085 -0.073 1
1 685 . 12 1 1 A 62 62 ARG CA C 62 59.526 59.974 -0.448 1
1 686 . 12 1 1 A 62 62 ARG HA H 62 3.724 3.934 -0.210 1
1 687 . 12 1 1 A 62 62 ARG CB C 62 29.388 29.948 -0.560 1
1 696 . 12 1 1 A 62 62 ARG C C 62 178.582 178.166 0.416 1
1 697 . 12 1 1 A 63 63 ASP N N 63 117.219 117.921 -0.702 1
1 698 . 12 1 1 A 63 63 ASP H H 63 7.823 8.461 -0.638 1
1 699 . 12 1 1 A 63 63 ASP CA C 63 56.694 56.879 -0.185 1
1 700 . 12 1 1 A 63 63 ASP HA H 63 4.401 4.401 0.000 1
1 701 . 12 1 1 A 63 63 ASP CB C 63 40.226 39.749 0.477 1
1 704 . 12 1 1 A 63 63 ASP C C 63 178.560 178.219 0.341 1
1 705 . 12 1 1 A 64 64 HIS N N 64 119.185 119.103 0.082 1
1 706 . 12 1 1 A 64 64 HIS H H 64 7.606 7.817 -0.211 1
1 707 . 12 1 1 A 64 64 HIS CA C 64 58.772 60.032 -1.260 1
1 708 . 12 1 1 A 64 64 HIS HA H 64 4.211 4.011 0.200 1
1 709 . 12 1 1 A 64 64 HIS CB C 64 28.533 30.018 -1.485 1
1 716 . 12 1 1 A 64 64 HIS C C 64 176.334 176.859 -0.525 1
1 717 . 12 1 1 A 65 65 ARG N N 65 116.490 117.756 -1.266 1
1 718 . 12 1 1 A 65 65 ARG H H 65 8.157 7.949 0.208 1
1 719 . 12 1 1 A 65 65 ARG CA C 65 59.666 58.457 1.209 1
1 720 . 12 1 1 A 65 65 ARG HA H 65 3.576 4.139 -0.563 1
1 721 . 12 1 1 A 65 65 ARG CB C 65 29.958 29.914 0.044 1
1 730 . 12 1 1 A 65 65 ARG C C 65 178.301 177.951 0.350 1
1 731 . 12 1 1 A 66 66 TYR N N 66 117.286 121.569 -4.283 1
1 732 . 12 1 1 A 66 66 TYR H H 66 7.169 8.444 -1.275 1
1 733 . 12 1 1 A 66 66 TYR CA C 66 60.186 61.046 -0.860 1
1 734 . 12 1 1 A 66 66 TYR HA H 66 4.339 4.096 0.243 1
1 735 . 12 1 1 A 66 66 TYR CB C 66 37.960 38.556 -0.596 1
1 746 . 12 1 1 A 66 66 TYR C C 66 178.191 177.691 0.500 1
1 747 . 12 1 1 A 67 67 ILE N N 67 117.609 115.364 2.245 1
1 748 . 12 1 1 A 67 67 ILE H H 67 7.883 7.439 0.444 1
1 749 . 12 1 1 A 67 67 ILE CA C 67 63.440 63.673 -0.233 1
1 750 . 12 1 1 A 67 67 ILE HA H 67 3.836 3.811 0.025 1
1 751 . 12 1 1 A 67 67 ILE CB C 67 37.482 37.121 0.361 1
1 764 . 12 1 1 A 67 67 ILE C C 67 177.511 176.165 1.346 1
1 765 . 12 1 1 A 68 68 HIS N N 68 116.764 121.261 -4.497 1
1 766 . 12 1 1 A 68 68 HIS H H 68 7.140 7.526 -0.386 1
1 767 . 12 1 1 A 68 68 HIS CA C 68 55.340 54.696 0.644 1
1 768 . 12 1 1 A 68 68 HIS HA H 68 4.768 4.682 0.086 1
1 769 . 12 1 1 A 68 68 HIS CB C 68 28.687 28.350 0.337 1
1 776 . 12 1 1 A 68 68 HIS C C 68 175.627 174.027 1.600 1
1 777 . 12 1 1 A 69 69 SER N N 69 114.870 120.917 -6.047 1
1 778 . 12 1 1 A 69 69 SER H H 69 7.731 8.462 -0.731 1
1 779 . 12 1 1 A 69 69 SER CA C 69 59.200 57.620 1.580 1
1 780 . 12 1 1 A 69 69 SER HA H 69 4.379 5.040 -0.661 1
1 781 . 12 1 1 A 69 69 SER CB C 69 63.765 65.047 -1.282 1
1 784 . 12 1 1 A 69 69 SER C C 69 174.692 173.192 1.500 1
1 785 . 12 1 1 A 70 70 LYS N N 70 121.978 123.956 -1.978 1
1 786 . 12 1 1 A 70 70 LYS H H 70 8.063 8.412 -0.349 1
1 787 . 12 1 1 A 70 70 LYS CA C 70 56.825 54.255 2.570 1
1 788 . 12 1 1 A 70 70 LYS HA H 70 4.214 4.857 -0.643 1
1 789 . 12 1 1 A 70 70 LYS CB C 70 32.539 36.232 -3.693 1
1 801 . 12 1 1 A 70 70 LYS C C 70 176.806 175.326 1.480 1
1 802 . 12 1 1 A 71 71 GLU N N 71 120.177 121.480 -1.303 1
1 803 . 12 1 1 A 71 71 GLU H H 71 8.008 8.415 -0.407 1
1 804 . 12 1 1 A 71 71 GLU CA C 71 56.472 57.486 -1.014 1
1 805 . 12 1 1 A 71 71 GLU HA H 71 4.191 4.180 0.011 1
1 806 . 12 1 1 A 71 71 GLU CB C 71 29.335 30.153 -0.818 1
1 811 . 12 1 1 A 71 71 GLU C C 71 176.040 176.565 -0.525 1
1 812 . 12 1 1 A 72 72 LYS N N 72 121.800 125.902 -4.102 1
1 813 . 12 1 1 A 72 72 LYS H H 72 8.277 8.582 -0.305 1
1 814 . 12 1 1 A 72 72 LYS CA C 72 53.820 54.389 -0.569 1
1 815 . 12 1 1 A 72 72 LYS HA H 72 4.391 4.323 0.068 1
1 816 . 12 1 1 A 72 72 LYS CB C 72 32.139 31.665 0.474 1
1 828 . 12 1 1 A 72 72 LYS C C 72 174.768 176.653 -1.885 1
1 829 . 12 1 1 A 73 73 PRO CA C 73 63.978 65.205 -1.227 1
1 830 . 12 1 1 A 73 73 PRO HA H 73 4.144 4.492 -0.348 1
1 831 . 12 1 1 A 73 73 PRO CB C 73 31.953 32.101 -0.148 1
1 840 . 12 1 1 A 73 73 PRO C C 73 176.402 176.506 -0.104 1
1 841 . 12 1 1 A 74 74 PHE N N 74 117.425 113.303 4.122 1
1 842 . 12 1 1 A 74 74 PHE H H 74 7.686 7.729 -0.043 1
1 843 . 12 1 1 A 74 74 PHE CA C 74 57.020 55.566 1.454 1
1 844 . 12 1 1 A 74 74 PHE HA H 74 4.691 5.055 -0.364 1
1 845 . 12 1 1 A 74 74 PHE CB C 74 39.403 40.085 -0.682 1
1 856 . 12 1 1 A 74 74 PHE C C 74 174.442 174.466 -0.024 1
1 857 . 12 1 1 A 75 75 LYS N N 75 123.931 122.322 1.609 1
1 858 . 12 1 1 A 75 75 LYS H H 75 8.590 8.973 -0.383 1
1 859 . 12 1 1 A 75 75 LYS CA C 75 54.951 54.440 0.511 1
1 860 . 12 1 1 A 75 75 LYS HA H 75 5.021 4.929 0.092 1
1 861 . 12 1 1 A 75 75 LYS CB C 75 35.286 35.989 -0.703 1
1 873 . 12 1 1 A 75 75 LYS C C 75 175.465 175.098 0.367 1
1 874 . 12 1 1 A 76 76 CYS N N 76 126.279 121.317 4.962 1
1 875 . 12 1 1 A 76 76 CYS H H 76 9.149 8.968 0.181 1
1 876 . 12 1 1 A 76 76 CYS CA C 76 59.553 59.926 -0.373 1
1 877 . 12 1 1 A 76 76 CYS HA H 76 4.462 4.417 0.045 1
1 878 . 12 1 1 A 76 76 CYS CB C 76 29.772 28.907 0.865 1
1 881 . 12 1 1 A 76 76 CYS C C 76 177.367 175.486 1.881 1
1 882 . 12 1 1 A 77 77 GLN CA C 77 58.117 57.557 0.560 1
1 883 . 12 1 1 A 77 77 GLN HA H 77 4.130 4.235 -0.105 1
1 884 . 12 1 1 A 77 77 GLN CB C 77 28.479 28.843 -0.364 1
1 893 . 12 1 1 A 77 77 GLN C C 77 176.283 177.967 -1.684 1
1 894 . 12 1 1 A 78 78 GLU N N 78 120.320 119.022 1.298 1
1 895 . 12 1 1 A 78 78 GLU H H 78 8.682 7.581 1.101 1
1 896 . 12 1 1 A 78 78 GLU CA C 78 58.540 58.880 -0.340 1
1 897 . 12 1 1 A 78 78 GLU HA H 78 4.165 3.941 0.224 1
1 898 . 12 1 1 A 78 78 GLU CB C 78 29.469 28.748 0.721 1
1 904 . 12 1 1 A 78 78 GLU C C 78 177.275 178.436 -1.161 1
1 905 . 12 1 1 A 79 79 CYS N N 79 114.728 114.612 0.116 1
1 906 . 12 1 1 A 79 79 CYS H H 79 8.018 7.314 0.704 1
1 907 . 12 1 1 A 79 79 CYS CA C 79 58.271 59.839 -1.568 1
1 908 . 12 1 1 A 79 79 CYS HA H 79 5.142 4.519 0.623 1
1 909 . 12 1 1 A 79 79 CYS CB C 79 32.339 29.431 2.908 1
1 912 . 12 1 1 A 79 79 CYS C C 79 176.280 175.644 0.636 1
1 913 . 12 1 1 A 80 80 GLY N N 80 113.675 110.857 2.818 1
1 914 . 12 1 1 A 80 80 GLY H H 80 8.133 8.234 -0.101 1
1 915 . 12 1 1 A 80 80 GLY CA C 80 46.206 46.695 -0.489 1
1 916 . 12 1 1 A 80 80 GLY HA2 H 80 4.213 3.962 0.251 1
1 917 . 12 1 1 A 80 80 GLY HA3 H 80 3.755 4.004 -0.249 1
1 918 . 12 1 1 A 80 80 GLY C C 80 173.619 174.751 -1.132 1
1 919 . 12 1 1 A 81 81 LYS N N 81 122.811 119.166 3.645 1
1 920 . 12 1 1 A 81 81 LYS H H 81 7.945 8.077 -0.132 1
1 921 . 12 1 1 A 81 81 LYS CA C 81 58.211 55.153 3.058 1
1 922 . 12 1 1 A 81 81 LYS HA H 81 3.947 4.403 -0.456 1
1 923 . 12 1 1 A 81 81 LYS CB C 81 33.921 33.809 0.112 1
1 935 . 12 1 1 A 81 81 LYS C C 81 174.639 176.331 -1.692 1
1 936 . 12 1 1 A 82 82 GLY N N 82 108.366 110.015 -1.649 1
1 937 . 12 1 1 A 82 82 GLY H H 82 7.936 8.211 -0.275 1
1 938 . 12 1 1 A 82 82 GLY CA C 82 44.048 46.322 -2.274 1
1 939 . 12 1 1 A 82 82 GLY HA2 H 82 4.847 3.839 1.008 1
1 940 . 12 1 1 A 82 82 GLY HA3 H 82 3.291 3.853 -0.562 1
1 941 . 12 1 1 A 82 82 GLY C C 82 172.166 173.567 -1.401 1
1 942 . 12 1 1 A 83 83 PHE N N 83 117.822 121.712 -3.890 1
1 943 . 12 1 1 A 83 83 PHE H H 83 8.697 8.131 0.566 1
1 944 . 12 1 1 A 83 83 PHE CA C 83 57.338 59.178 -1.840 1
1 945 . 12 1 1 A 83 83 PHE HA H 83 4.755 4.355 0.400 1
1 946 . 12 1 1 A 83 83 PHE CB C 83 43.462 39.383 4.079 1
1 959 . 12 1 1 A 83 83 PHE C C 83 175.424 176.073 -0.649 1
1 960 . 12 1 1 A 84 84 CYS CA C 84 60.706 58.736 1.970 1
1 961 . 12 1 1 A 84 84 CYS HA H 84 4.608 4.705 -0.097 1
1 962 . 12 1 1 A 84 84 CYS CB C 84 28.990 27.752 1.238 1
1 965 . 12 1 1 A 84 84 CYS C C 84 174.163 173.072 1.091 1
1 966 . 12 1 1 A 85 85 GLN N N 85 114.620 119.005 -4.385 1
1 967 . 12 1 1 A 85 85 GLN H H 85 7.326 7.606 -0.280 1
1 968 . 12 1 1 A 85 85 GLN CA C 85 54.098 54.068 0.030 1
1 969 . 12 1 1 A 85 85 GLN HA H 85 4.648 4.918 -0.270 1
1 970 . 12 1 1 A 85 85 GLN CB C 85 32.066 33.211 -1.145 1
1 979 . 12 1 1 A 85 85 GLN C C 85 175.230 175.521 -0.291 1
1 980 . 12 1 1 A 86 86 SER CA C 86 61.164 59.025 2.139 1
1 981 . 12 1 1 A 86 86 SER HA H 86 3.078 4.542 -1.464 1
1 982 . 12 1 1 A 86 86 SER CB C 86 61.738 64.264 -2.526 1
1 985 . 12 1 1 A 87 87 ARG CA C 87 58.886 58.778 0.108 1
1 986 . 12 1 1 A 87 87 ARG HA H 87 4.049 4.077 -0.028 1
1 987 . 12 1 1 A 87 87 ARG CB C 87 29.519 29.869 -0.350 1
1 996 . 12 1 1 A 87 87 ARG C C 87 177.520 178.713 -1.193 1
1 997 . 12 1 1 A 88 88 THR N N 88 112.500 117.232 -4.732 1
1 998 . 12 1 1 A 88 88 THR H H 88 6.796 8.034 -1.238 1
1 999 . 12 1 1 A 88 88 THR CA C 88 64.598 67.007 -2.409 1
1 1000 . 12 1 1 A 88 88 THR HA H 88 3.844 3.876 -0.032 1
1 1001 . 12 1 1 A 88 88 THR CB C 88 67.809 68.593 -0.784 1
1 1007 . 12 1 1 A 88 88 THR C C 88 177.343 175.917 1.426 1
1 1008 . 12 1 1 A 89 89 LEU N N 89 123.163 120.861 2.302 1
1 1009 . 12 1 1 A 89 89 LEU H H 89 6.898 8.060 -1.162 1
1 1010 . 12 1 1 A 89 89 LEU CA C 89 57.692 57.894 -0.202 1
1 1011 . 12 1 1 A 89 89 LEU HA H 89 3.147 3.707 -0.560 1
1 1012 . 12 1 1 A 89 89 LEU CB C 89 40.133 41.925 -1.792 1
1 1025 . 12 1 1 A 89 89 LEU C C 89 176.886 178.667 -1.781 1
1 1026 . 12 1 1 A 90 90 ALA N N 90 120.747 120.819 -0.072 1
1 1027 . 12 1 1 A 90 90 ALA H H 90 7.837 7.762 0.075 1
1 1028 . 12 1 1 A 90 90 ALA CA C 90 55.646 55.228 0.418 1
1 1029 . 12 1 1 A 90 90 ALA HA H 90 3.914 4.038 -0.124 1
1 1030 . 12 1 1 A 90 90 ALA CB C 90 17.722 18.397 -0.675 1
1 1034 . 12 1 1 A 90 90 ALA C C 90 180.692 179.813 0.879 1
1 1035 . 12 1 1 A 91 91 VAL N N 91 117.181 118.584 -1.403 1
1 1036 . 12 1 1 A 91 91 VAL H H 91 7.475 8.095 -0.620 1
1 1037 . 12 1 1 A 91 91 VAL CA C 91 65.880 66.176 -0.296 1
1 1038 . 12 1 1 A 91 91 VAL HA H 91 3.662 3.615 0.047 1
1 1039 . 12 1 1 A 91 91 VAL CB C 91 32.018 31.535 0.483 1
1 1049 . 12 1 1 A 91 91 VAL C C 91 178.708 178.289 0.419 1
1 1050 . 12 1 1 A 92 92 HIS N N 92 121.501 120.144 1.357 1
1 1051 . 12 1 1 A 92 92 HIS H H 92 7.625 7.955 -0.330 1
1 1052 . 12 1 1 A 92 92 HIS CA C 92 59.553 59.526 0.027 1
1 1053 . 12 1 1 A 92 92 HIS HA H 92 4.095 4.132 -0.037 1
1 1054 . 12 1 1 A 92 92 HIS CB C 92 28.040 29.726 -1.686 1
1 1061 . 12 1 1 A 92 92 HIS C C 92 176.518 177.171 -0.653 1
1 1062 . 12 1 1 A 93 93 LYS N N 93 116.162 117.110 -0.948 1
1 1063 . 12 1 1 A 93 93 LYS H H 93 8.372 8.228 0.144 1
1 1064 . 12 1 1 A 93 93 LYS CA C 93 60.253 59.169 1.084 1
1 1065 . 12 1 1 A 93 93 LYS HA H 93 3.732 3.830 -0.098 1
1 1066 . 12 1 1 A 93 93 LYS CB C 93 32.158 32.376 -0.218 1
1 1078 . 12 1 1 A 93 93 LYS C C 93 179.211 178.878 0.333 1
1 1079 . 12 1 1 A 94 94 THR N N 94 111.607 113.946 -2.339 1
1 1080 . 12 1 1 A 94 94 THR H H 94 7.434 7.586 -0.152 1
1 1081 . 12 1 1 A 94 94 THR CA C 94 65.106 65.473 -0.367 1
1 1082 . 12 1 1 A 94 94 THR HA H 94 4.034 4.074 -0.040 1
1 1083 . 12 1 1 A 94 94 THR CB C 94 69.075 68.574 0.501 1
1 1089 . 12 1 1 A 94 94 THR C C 94 176.406 176.820 -0.414 1
1 1090 . 12 1 1 A 95 95 LEU N N 95 121.689 123.252 -1.563 1
1 1091 . 12 1 1 A 95 95 LEU H H 95 7.725 7.971 -0.246 1
1 1092 . 12 1 1 A 95 95 LEU CA C 95 56.680 57.900 -1.220 1
1 1093 . 12 1 1 A 95 95 LEU HA H 95 4.020 3.848 0.172 1
1 1094 . 12 1 1 A 95 95 LEU CB C 95 41.186 41.325 -0.139 1
1 1107 . 12 1 1 A 95 95 LEU C C 95 178.956 179.305 -0.349 1
1 1108 . 12 1 1 A 96 96 HIS N N 96 114.750 116.810 -2.060 1
1 1109 . 12 1 1 A 96 96 HIS H H 96 7.160 7.764 -0.604 1
1 1110 . 12 1 1 A 96 96 HIS CA C 96 55.206 58.664 -3.458 1
1 1111 . 12 1 1 A 96 96 HIS HA H 96 4.730 4.218 0.512 1
1 1112 . 12 1 1 A 96 96 HIS CB C 96 28.687 29.785 -1.098 1
1 1119 . 12 1 1 A 96 96 HIS C C 96 175.230 175.845 -0.615 1
1 1120 . 12 1 1 A 97 97 MET N N 97 118.984 115.886 3.098 1
1 1121 . 12 1 1 A 97 97 MET H H 97 7.626 7.678 -0.052 1
1 1122 . 12 1 1 A 97 97 MET CA C 97 55.995 55.517 0.478 1
1 1123 . 12 1 1 A 97 97 MET HA H 97 4.424 4.351 0.073 1
1 1124 . 12 1 1 A 97 97 MET CB C 97 33.065 33.268 -0.203 1
1 1134 . 12 1 1 A 97 97 MET C C 97 176.174 175.880 0.294 1
1 1135 . 12 1 1 A 98 98 GLN N N 98 120.828 118.092 2.736 1
1 1136 . 12 1 1 A 98 98 GLN H H 98 8.271 8.929 -0.658 1
1 1137 . 12 1 1 A 98 98 GLN CA C 98 55.951 54.064 1.887 1
1 1138 . 12 1 1 A 98 98 GLN HA H 98 4.382 5.024 -0.642 1
1 1139 . 12 1 1 A 98 98 GLN CB C 98 29.364 32.488 -3.124 1
1 1148 . 12 1 1 A 98 98 GLN C C 98 176.242 174.727 1.515 1
1 1149 . 12 1 1 A 99 99 THR N N 99 114.965 117.219 -2.254 1
1 1150 . 12 1 1 A 99 99 THR H H 99 8.200 8.504 -0.304 1
1 1151 . 12 1 1 A 99 99 THR CA C 99 61.773 64.211 -2.438 1
1 1152 . 12 1 1 A 99 99 THR HA H 99 4.374 4.183 0.191 1
1 1153 . 12 1 1 A 99 99 THR CB C 99 69.654 69.086 0.568 1
1 1159 . 12 1 1 A 99 99 THR C C 99 174.491 175.207 -0.716 1
1 1160 . 12 1 1 A 100 100 SER N N 100 118.047 121.412 -3.365 1
1 1161 . 12 1 1 A 100 100 SER H H 100 8.311 8.471 -0.160 1
1 1162 . 12 1 1 A 100 100 SER CA C 100 58.240 59.971 -1.731 1
1 1163 . 12 1 1 A 100 100 SER HA H 100 4.493 4.344 0.149 1
1 1164 . 12 1 1 A 100 100 SER CB C 100 63.843 63.933 -0.090 1
1 1167 . 12 1 1 A 100 100 SER C C 100 174.152 174.514 -0.362 1
1 1168 . 12 1 1 A 101 101 SER N N 101 118.812 120.712 -1.900 1
1 1169 . 12 1 1 A 101 101 SER H H 101 8.358 8.692 -0.334 1
1 1170 . 12 1 1 A 101 101 SER CA C 101 56.348 56.981 -0.633 1
1 1171 . 12 1 1 A 101 101 SER HA H 101 4.773 4.734 0.039 1
1 1172 . 12 1 1 A 101 101 SER CB C 101 63.554 63.312 0.242 1
1 1175 . 12 1 1 A 101 101 SER C C 101 172.898 172.872 0.026 1
1 1176 . 12 1 1 A 102 102 PRO CA C 102 63.453 62.284 1.169 1
1 1177 . 12 1 1 A 102 102 PRO HA H 102 4.485 4.603 -0.118 1
1 1178 . 12 1 1 A 102 102 PRO CB C 102 32.126 32.849 -0.723 1
1 1187 . 12 1 1 A 102 102 PRO C C 102 177.181 175.763 1.418 1
1 1188 . 12 1 1 A 103 103 THR N N 103 114.257 115.879 -1.622 1
1 1189 . 12 1 1 A 103 103 THR H H 103 8.188 8.400 -0.212 1
1 1190 . 12 1 1 A 103 103 THR CA C 103 61.748 59.927 1.821 1
1 1191 . 12 1 1 A 103 103 THR HA H 103 4.273 4.943 -0.670 1
1 1192 . 12 1 1 A 103 103 THR CB C 103 69.833 71.977 -2.144 1
1 1198 . 12 1 1 A 103 103 THR C C 103 174.258 172.960 1.298 1
1 1199 . 12 1 1 A 104 104 ALA N N 104 126.872 126.004 0.868 1
1 1200 . 12 1 1 A 104 104 ALA H H 104 8.240 8.797 -0.557 1
1 1201 . 12 1 1 A 104 104 ALA CA C 104 52.369 50.734 1.635 1
1 1202 . 12 1 1 A 104 104 ALA HA H 104 4.316 5.230 -0.914 1
1 1203 . 12 1 1 A 104 104 ALA CB C 104 19.417 24.259 -4.842 1
1 1207 . 12 1 1 A 104 104 ALA C C 104 177.129 175.138 1.991 1
1 1208 . 12 1 1 A 105 105 ALA N N 105 124.353 120.477 3.876 1
1 1209 . 12 1 1 A 105 105 ALA H H 105 8.312 8.763 -0.451 1
1 1210 . 12 1 1 A 105 105 ALA CA C 105 52.408 51.412 0.996 1
1 1211 . 12 1 1 A 105 105 ALA HA H 105 4.327 5.015 -0.688 1
1 1212 . 12 1 1 A 105 105 ALA CB C 105 19.416 24.053 -4.637 1
1 1216 . 12 1 1 A 105 105 ALA C C 105 176.902 176.107 0.795 1
1 1 . 13 1 1 A 8 8 GLY CA C 8 45.171 44.157 1.014 1
1 2 . 13 1 1 A 8 8 GLY HA2 H 8 3.976 4.080 -0.104 1
1 3 . 13 1 1 A 8 8 GLY HA3 H 8 3.976 4.082 -0.106 1
1 4 . 13 1 1 A 8 8 GLY C C 8 173.956 174.936 -0.980 1
1 5 . 13 1 1 A 9 9 ARG N N 9 120.445 119.864 0.581 1
1 6 . 13 1 1 A 9 9 ARG H H 9 8.126 8.434 -0.308 1
1 7 . 13 1 1 A 9 9 ARG CA C 9 55.873 57.054 -1.181 1
1 8 . 13 1 1 A 9 9 ARG HA H 9 4.318 4.516 -0.198 1
1 9 . 13 1 1 A 9 9 ARG CB C 9 30.899 32.553 -1.654 1
1 18 . 13 1 1 A 9 9 ARG C C 9 176.192 175.570 0.622 1
1 19 . 13 1 1 A 10 10 LEU N N 10 125.156 117.760 7.396 1
1 20 . 13 1 1 A 10 10 LEU H H 10 8.357 7.788 0.569 1
1 21 . 13 1 1 A 10 10 LEU CA C 10 53.058 51.362 1.696 1
1 22 . 13 1 1 A 10 10 LEU HA H 10 4.589 4.780 -0.191 1
1 23 . 13 1 1 A 10 10 LEU CB C 10 41.599 45.523 -3.924 1
1 36 . 13 1 1 A 10 10 LEU C C 10 175.327 174.466 0.861 1
1 37 . 13 1 1 A 11 11 PRO CA C 11 63.064 62.471 0.593 1
1 38 . 13 1 1 A 11 11 PRO HA H 11 4.416 4.695 -0.279 1
1 39 . 13 1 1 A 11 11 PRO CB C 11 32.095 33.472 -1.377 1
1 48 . 13 1 1 A 13 13 LYS CA C 13 56.353 56.014 0.339 1
1 49 . 13 1 1 A 13 13 LYS HA H 13 4.383 4.657 -0.274 1
1 50 . 13 1 1 A 13 13 LYS CB C 13 33.019 35.114 -2.095 1
1 62 . 13 1 1 A 13 13 LYS C C 13 176.694 175.771 0.923 1
1 63 . 13 1 1 A 14 14 THR N N 14 115.691 117.891 -2.200 1
1 64 . 13 1 1 A 14 14 THR H H 14 8.140 8.839 -0.699 1
1 65 . 13 1 1 A 14 14 THR CA C 14 61.919 61.208 0.711 1
1 66 . 13 1 1 A 14 14 THR HA H 14 4.265 4.638 -0.373 1
1 67 . 13 1 1 A 14 14 THR CB C 14 69.860 68.657 1.203 1
1 73 . 13 1 1 A 14 14 THR C C 14 174.261 175.217 -0.956 1
1 74 . 13 1 1 A 15 15 LYS N N 15 124.645 121.222 3.423 1
1 75 . 13 1 1 A 15 15 LYS H H 15 8.323 8.183 0.140 1
1 76 . 13 1 1 A 15 15 LYS CA C 15 56.226 57.197 -0.971 1
1 77 . 13 1 1 A 15 15 LYS HA H 15 4.278 4.459 -0.181 1
1 78 . 13 1 1 A 15 15 LYS CB C 15 33.220 34.390 -1.170 1
1 90 . 13 1 1 A 15 15 LYS C C 15 175.921 176.604 -0.683 1
1 91 . 13 1 1 A 16 16 LYS N N 16 123.830 119.011 4.819 1
1 92 . 13 1 1 A 16 16 LYS H H 16 8.332 7.592 0.740 1
1 93 . 13 1 1 A 16 16 LYS CA C 16 55.966 55.305 0.661 1
1 94 . 13 1 1 A 16 16 LYS HA H 16 4.192 4.319 -0.127 1
1 95 . 13 1 1 A 16 16 LYS CB C 16 33.028 32.719 0.309 1
1 107 . 13 1 1 A 16 16 LYS C C 16 175.334 176.339 -1.005 1
1 108 . 13 1 1 A 17 17 GLU N N 17 121.077 120.424 0.653 1
1 109 . 13 1 1 A 17 17 GLU H H 17 7.931 8.478 -0.547 1
1 110 . 13 1 1 A 17 17 GLU CA C 17 55.463 56.547 -1.084 1
1 111 . 13 1 1 A 17 17 GLU HA H 17 4.300 4.220 0.080 1
1 112 . 13 1 1 A 17 17 GLU CB C 17 31.984 30.879 1.105 1
1 118 . 13 1 1 A 17 17 GLU C C 17 174.646 175.431 -0.785 1
1 119 . 13 1 1 A 18 18 PHE N N 18 121.605 117.700 3.905 1
1 120 . 13 1 1 A 18 18 PHE H H 18 8.560 8.834 -0.274 1
1 121 . 13 1 1 A 18 18 PHE CA C 18 56.963 56.538 0.425 1
1 122 . 13 1 1 A 18 18 PHE HA H 18 4.675 5.247 -0.572 1
1 123 . 13 1 1 A 18 18 PHE CB C 18 39.653 43.948 -4.295 1
1 134 . 13 1 1 A 18 18 PHE C C 18 173.933 174.839 -0.906 1
1 135 . 13 1 1 A 19 19 ILE N N 19 123.977 119.642 4.335 1
1 136 . 13 1 1 A 19 19 ILE H H 19 8.425 8.838 -0.413 1
1 137 . 13 1 1 A 19 19 ILE CA C 19 59.740 59.720 0.020 1
1 138 . 13 1 1 A 19 19 ILE HA H 19 4.654 5.016 -0.362 1
1 139 . 13 1 1 A 19 19 ILE CB C 19 41.000 41.841 -0.841 1
1 152 . 13 1 1 A 19 19 ILE C C 19 175.584 174.726 0.858 1
1 153 . 13 1 1 A 20 20 CYS N N 20 129.741 126.691 3.050 1
1 154 . 13 1 1 A 20 20 CYS H H 20 9.224 9.072 0.152 1
1 155 . 13 1 1 A 20 20 CYS CA C 20 59.974 59.331 0.643 1
1 156 . 13 1 1 A 20 20 CYS HA H 20 4.827 4.466 0.361 1
1 157 . 13 1 1 A 20 20 CYS CB C 20 30.335 28.979 1.356 1
1 160 . 13 1 1 A 20 20 CYS C C 20 178.043 175.419 2.624 1
1 161 . 13 1 1 A 21 21 LYS N N 21 132.598 122.698 9.900 1
1 162 . 13 1 1 A 21 21 LYS H H 21 9.473 8.293 1.180 1
1 163 . 13 1 1 A 21 21 LYS CA C 21 58.099 56.573 1.526 1
1 164 . 13 1 1 A 21 21 LYS HA H 21 4.104 4.447 -0.343 1
1 165 . 13 1 1 A 21 21 LYS CB C 21 31.695 33.852 -2.157 1
1 177 . 13 1 1 A 21 21 LYS C C 21 175.765 178.400 -2.635 1
1 178 . 13 1 1 A 22 22 PHE N N 22 121.000 118.455 2.545 1
1 179 . 13 1 1 A 22 22 PHE H H 22 9.158 7.971 1.187 1
1 180 . 13 1 1 A 22 22 PHE CA C 22 59.743 59.520 0.223 1
1 181 . 13 1 1 A 22 22 PHE HA H 22 4.394 4.216 0.178 1
1 182 . 13 1 1 A 22 22 PHE CB C 22 37.953 37.232 0.721 1
1 195 . 13 1 1 A 22 22 PHE C C 22 176.819 177.051 -0.232 1
1 196 . 13 1 1 A 23 23 CYS N N 23 115.955 113.482 2.473 1
1 197 . 13 1 1 A 23 23 CYS H H 23 8.410 7.907 0.503 1
1 198 . 13 1 1 A 23 23 CYS CA C 23 58.486 59.564 -1.078 1
1 199 . 13 1 1 A 23 23 CYS HA H 23 5.262 4.760 0.502 1
1 200 . 13 1 1 A 23 23 CYS CB C 23 33.092 30.197 2.895 1
1 203 . 13 1 1 A 23 23 CYS C C 23 176.770 175.681 1.089 1
1 204 . 13 1 1 A 24 24 GLY N N 24 112.575 110.548 2.027 1
1 205 . 13 1 1 A 24 24 GLY H H 24 8.092 8.292 -0.200 1
1 206 . 13 1 1 A 24 24 GLY CA C 24 46.302 46.682 -0.380 1
1 207 . 13 1 1 A 24 24 GLY HA2 H 24 4.238 3.966 0.272 1
1 208 . 13 1 1 A 24 24 GLY HA3 H 24 3.776 3.968 -0.192 1
1 209 . 13 1 1 A 24 24 GLY C C 24 173.621 174.043 -0.422 1
1 210 . 13 1 1 A 25 25 ARG N N 25 122.678 120.628 2.050 1
1 211 . 13 1 1 A 25 25 ARG H H 25 8.079 7.867 0.212 1
1 212 . 13 1 1 A 25 25 ARG CA C 25 58.063 54.515 3.548 1
1 213 . 13 1 1 A 25 25 ARG HA H 25 4.096 5.057 -0.961 1
1 214 . 13 1 1 A 25 25 ARG CB C 25 31.628 33.392 -1.764 1
1 223 . 13 1 1 A 25 25 ARG C C 25 174.641 175.036 -0.395 1
1 224 . 13 1 1 A 26 26 HIS N N 26 121.510 124.142 -2.632 1
1 225 . 13 1 1 A 26 26 HIS H H 26 8.454 8.996 -0.542 1
1 226 . 13 1 1 A 26 26 HIS CA C 26 55.553 56.341 -0.788 1
1 227 . 13 1 1 A 26 26 HIS HA H 26 5.166 5.022 0.144 1
1 228 . 13 1 1 A 26 26 HIS CB C 26 32.066 30.940 1.126 1
1 235 . 13 1 1 A 26 26 HIS C C 26 174.732 175.168 -0.436 1
1 236 . 13 1 1 A 27 27 PHE N N 27 119.065 119.959 -0.894 1
1 237 . 13 1 1 A 27 27 PHE H H 27 9.035 9.069 -0.034 1
1 238 . 13 1 1 A 27 27 PHE CA C 27 57.515 56.383 1.132 1
1 239 . 13 1 1 A 27 27 PHE HA H 27 4.724 4.977 -0.253 1
1 240 . 13 1 1 A 27 27 PHE CB C 27 43.276 43.927 -0.651 1
1 253 . 13 1 1 A 27 27 PHE C C 27 175.205 175.709 -0.504 1
1 254 . 13 1 1 A 28 28 THR CA C 28 62.856 64.094 -1.238 1
1 255 . 13 1 1 A 28 28 THR HA H 28 4.691 4.398 0.293 1
1 256 . 13 1 1 A 28 28 THR CB C 28 69.897 69.543 0.354 1
1 262 . 13 1 1 A 28 28 THR C C 28 174.714 174.400 0.314 1
1 263 . 13 1 1 A 29 29 LYS N N 29 118.993 120.872 -1.879 1
1 264 . 13 1 1 A 29 29 LYS H H 29 7.456 7.907 -0.451 1
1 265 . 13 1 1 A 29 29 LYS CA C 29 54.239 54.395 -0.156 1
1 266 . 13 1 1 A 29 29 LYS HA H 29 4.573 4.832 -0.259 1
1 267 . 13 1 1 A 29 29 LYS CB C 29 35.412 35.381 0.031 1
1 279 . 13 1 1 A 29 29 LYS C C 29 176.395 177.205 -0.810 1
1 280 . 13 1 1 A 30 30 SER CA C 30 60.921 61.816 -0.895 1
1 281 . 13 1 1 A 30 30 SER HA H 30 3.025 4.248 -1.223 1
1 282 . 13 1 1 A 30 30 SER CB C 30 61.703 62.957 -1.254 1
1 285 . 13 1 1 A 31 31 TYR CA C 31 60.807 61.503 -0.696 1
1 286 . 13 1 1 A 31 31 TYR HA H 31 4.101 4.208 -0.107 1
1 287 . 13 1 1 A 31 31 TYR CB C 31 38.408 38.526 -0.118 1
1 298 . 13 1 1 A 31 31 TYR C C 31 176.455 177.635 -1.180 1
1 299 . 13 1 1 A 32 32 ASN N N 32 114.304 118.381 -4.077 1
1 300 . 13 1 1 A 32 32 ASN H H 32 6.481 8.290 -1.809 1
1 301 . 13 1 1 A 32 32 ASN CA C 32 55.198 56.511 -1.313 1
1 302 . 13 1 1 A 32 32 ASN HA H 32 4.283 4.669 -0.386 1
1 303 . 13 1 1 A 32 32 ASN CB C 32 37.912 39.728 -1.816 1
1 309 . 13 1 1 A 32 32 ASN C C 32 177.633 177.740 -0.107 1
1 310 . 13 1 1 A 33 33 LEU N N 33 121.854 120.575 1.279 1
1 311 . 13 1 1 A 33 33 LEU H H 33 7.002 7.395 -0.393 1
1 312 . 13 1 1 A 33 33 LEU CA C 33 57.820 57.434 0.386 1
1 313 . 13 1 1 A 33 33 LEU HA H 33 2.922 2.590 0.332 1
1 314 . 13 1 1 A 33 33 LEU CB C 33 40.350 41.477 -1.127 1
1 327 . 13 1 1 A 33 33 LEU C C 33 176.900 178.182 -1.282 1
1 328 . 13 1 1 A 34 34 LEU N N 34 120.140 116.898 3.242 1
1 329 . 13 1 1 A 34 34 LEU H H 34 7.795 7.538 0.257 1
1 330 . 13 1 1 A 34 34 LEU CA C 34 58.506 57.936 0.570 1
1 331 . 13 1 1 A 34 34 LEU HA H 34 3.933 4.156 -0.223 1
1 332 . 13 1 1 A 34 34 LEU CB C 34 41.523 41.075 0.448 1
1 345 . 13 1 1 A 34 34 LEU C C 34 179.914 179.237 0.677 1
1 346 . 13 1 1 A 35 35 ILE N N 35 116.693 120.117 -3.424 1
1 347 . 13 1 1 A 35 35 ILE H H 35 7.368 7.949 -0.581 1
1 348 . 13 1 1 A 35 35 ILE CA C 35 63.641 65.395 -1.754 1
1 349 . 13 1 1 A 35 35 ILE HA H 35 3.533 3.621 -0.088 1
1 350 . 13 1 1 A 35 35 ILE CB C 35 37.380 37.936 -0.556 1
1 363 . 13 1 1 A 35 35 ILE C C 35 178.700 178.563 0.137 1
1 364 . 13 1 1 A 36 36 HIS N N 36 119.039 120.190 -1.151 1
1 365 . 13 1 1 A 36 36 HIS H H 36 7.424 7.930 -0.506 1
1 366 . 13 1 1 A 36 36 HIS CA C 36 59.486 60.048 -0.562 1
1 367 . 13 1 1 A 36 36 HIS HA H 36 4.282 4.330 -0.048 1
1 368 . 13 1 1 A 36 36 HIS CB C 36 28.563 30.515 -1.952 1
1 375 . 13 1 1 A 36 36 HIS C C 36 178.907 177.648 1.259 1
1 376 . 13 1 1 A 37 37 GLU N N 37 122.627 117.577 5.050 1
1 377 . 13 1 1 A 37 37 GLU H H 37 9.459 8.439 1.020 1
1 378 . 13 1 1 A 37 37 GLU CA C 37 61.473 60.072 1.401 1
1 379 . 13 1 1 A 37 37 GLU HA H 37 3.922 3.882 0.040 1
1 380 . 13 1 1 A 37 37 GLU CB C 37 30.028 29.216 0.812 1
1 386 . 13 1 1 A 37 37 GLU C C 37 178.840 179.416 -0.576 1
1 387 . 13 1 1 A 38 38 ARG N N 38 116.143 119.926 -3.783 1
1 388 . 13 1 1 A 38 38 ARG H H 38 7.244 8.051 -0.807 1
1 389 . 13 1 1 A 38 38 ARG CA C 38 58.258 59.161 -0.903 1
1 390 . 13 1 1 A 38 38 ARG HA H 38 4.129 4.038 0.091 1
1 391 . 13 1 1 A 38 38 ARG CB C 38 30.054 29.568 0.486 1
1 400 . 13 1 1 A 38 38 ARG C C 38 177.863 179.056 -1.193 1
1 401 . 13 1 1 A 39 39 THR N N 39 109.313 113.983 -4.670 1
1 402 . 13 1 1 A 39 39 THR H H 39 7.639 8.208 -0.569 1
1 403 . 13 1 1 A 39 39 THR CA C 39 63.892 64.080 -0.188 1
1 404 . 13 1 1 A 39 39 THR HA H 39 4.075 3.976 0.099 1
1 405 . 13 1 1 A 39 39 THR CB C 39 69.337 68.425 0.912 1
1 411 . 13 1 1 A 39 39 THR C C 39 175.843 175.350 0.493 1
1 412 . 13 1 1 A 40 40 HIS N N 40 119.019 116.837 2.182 1
1 413 . 13 1 1 A 40 40 HIS H H 40 7.046 7.578 -0.532 1
1 414 . 13 1 1 A 40 40 HIS CA C 40 55.942 57.554 -1.612 1
1 415 . 13 1 1 A 40 40 HIS HA H 40 4.410 4.297 0.113 1
1 416 . 13 1 1 A 40 40 HIS CB C 40 27.446 29.899 -2.453 1
1 423 . 13 1 1 A 40 40 HIS C C 40 175.528 175.226 0.302 1
1 424 . 13 1 1 A 41 41 THR N N 41 111.847 111.766 0.081 1
1 425 . 13 1 1 A 41 41 THR H H 41 7.579 8.091 -0.512 1
1 426 . 13 1 1 A 41 41 THR CA C 41 62.200 62.908 -0.708 1
1 427 . 13 1 1 A 41 41 THR HA H 41 4.152 3.891 0.261 1
1 428 . 13 1 1 A 41 41 THR CB C 41 69.440 66.597 2.843 1
1 434 . 13 1 1 A 41 41 THR C C 41 174.484 174.082 0.402 1
1 435 . 13 1 1 A 42 42 ASP N N 42 122.207 122.112 0.095 1
1 436 . 13 1 1 A 42 42 ASP H H 42 8.191 7.452 0.739 1
1 437 . 13 1 1 A 42 42 ASP CA C 42 54.373 53.031 1.342 1
1 438 . 13 1 1 A 42 42 ASP HA H 42 4.524 4.789 -0.265 1
1 439 . 13 1 1 A 42 42 ASP CB C 42 41.045 41.167 -0.122 1
1 442 . 13 1 1 A 42 42 ASP C C 42 175.869 175.415 0.454 1
1 443 . 13 1 1 A 43 43 GLU N N 43 120.562 118.507 2.055 1
1 444 . 13 1 1 A 43 43 GLU H H 43 8.064 7.916 0.148 1
1 445 . 13 1 1 A 43 43 GLU CA C 43 57.378 55.319 2.059 1
1 446 . 13 1 1 A 43 43 GLU HA H 43 4.098 5.109 -1.011 1
1 447 . 13 1 1 A 43 43 GLU CB C 43 30.262 31.530 -1.268 1
1 453 . 13 1 1 A 43 43 GLU C C 43 176.313 174.933 1.380 1
1 454 . 13 1 1 A 44 44 ARG N N 44 120.015 125.850 -5.835 1
1 455 . 13 1 1 A 44 44 ARG H H 44 8.190 8.894 -0.704 1
1 456 . 13 1 1 A 44 44 ARG CA C 44 53.266 53.065 0.201 1
1 457 . 13 1 1 A 44 44 ARG HA H 44 4.533 5.045 -0.512 1
1 458 . 13 1 1 A 44 44 ARG CB C 44 30.702 31.039 -0.337 1
1 467 . 13 1 1 A 44 44 ARG C C 44 173.360 175.235 -1.875 1
1 468 . 13 1 1 A 45 45 PRO CA C 45 63.459 64.324 -0.865 1
1 469 . 13 1 1 A 45 45 PRO HA H 45 4.298 4.377 -0.079 1
1 470 . 13 1 1 A 45 45 PRO CB C 45 32.219 31.582 0.637 1
1 479 . 13 1 1 A 45 45 PRO C C 45 176.492 176.495 -0.003 1
1 480 . 13 1 1 A 46 46 TYR N N 46 119.184 117.333 1.851 1
1 481 . 13 1 1 A 46 46 TYR H H 46 7.840 7.922 -0.082 1
1 482 . 13 1 1 A 46 46 TYR CA C 46 57.533 57.367 0.166 1
1 483 . 13 1 1 A 46 46 TYR HA H 46 4.757 4.749 0.008 1
1 484 . 13 1 1 A 46 46 TYR CB C 46 38.646 37.712 0.934 1
1 495 . 13 1 1 A 46 46 TYR C C 46 175.414 175.616 -0.202 1
1 496 . 13 1 1 A 47 47 THR N N 47 117.631 115.781 1.850 1
1 497 . 13 1 1 A 47 47 THR H H 47 8.607 7.490 1.117 1
1 498 . 13 1 1 A 47 47 THR CA C 47 60.593 62.677 -2.084 1
1 499 . 13 1 1 A 47 47 THR HA H 47 5.130 4.784 0.346 1
1 500 . 13 1 1 A 47 47 THR CB C 47 71.076 69.846 1.230 1
1 506 . 13 1 1 A 47 47 THR C C 47 173.697 174.289 -0.592 1
1 507 . 13 1 1 A 48 48 CYS N N 48 127.009 126.406 0.603 1
1 508 . 13 1 1 A 48 48 CYS H H 48 9.072 9.080 -0.008 1
1 509 . 13 1 1 A 48 48 CYS CA C 48 60.153 59.156 0.997 1
1 510 . 13 1 1 A 48 48 CYS HA H 48 4.422 4.541 -0.119 1
1 511 . 13 1 1 A 48 48 CYS CB C 48 29.832 28.720 1.112 1
1 514 . 13 1 1 A 48 48 CYS C C 48 176.023 174.707 1.316 1
1 515 . 13 1 1 A 49 49 ASP N N 49 129.691 123.073 6.618 1
1 516 . 13 1 1 A 49 49 ASP H H 49 9.129 9.002 0.127 1
1 517 . 13 1 1 A 49 49 ASP CA C 49 55.499 55.163 0.336 1
1 518 . 13 1 1 A 49 49 ASP HA H 49 4.353 4.532 -0.179 1
1 519 . 13 1 1 A 49 49 ASP CB C 49 39.656 42.640 -2.984 1
1 522 . 13 1 1 A 49 49 ASP C C 49 175.094 176.248 -1.154 1
1 523 . 13 1 1 A 50 50 ILE N N 50 121.649 116.525 5.124 1
1 524 . 13 1 1 A 50 50 ILE H H 50 8.661 7.460 1.201 1
1 525 . 13 1 1 A 50 50 ILE CA C 50 62.888 62.834 0.054 1
1 526 . 13 1 1 A 50 50 ILE HA H 50 3.837 4.122 -0.285 1
1 527 . 13 1 1 A 50 50 ILE CB C 50 38.652 38.258 0.394 1
1 540 . 13 1 1 A 50 50 ILE C C 50 176.439 177.891 -1.452 1
1 541 . 13 1 1 A 51 51 CYS N N 51 116.341 117.604 -1.263 1
1 542 . 13 1 1 A 51 51 CYS H H 51 7.973 7.891 0.082 1
1 543 . 13 1 1 A 51 51 CYS CA C 51 58.192 59.331 -1.139 1
1 544 . 13 1 1 A 51 51 CYS HA H 51 4.922 4.555 0.367 1
1 545 . 13 1 1 A 51 51 CYS CB C 51 32.086 27.872 4.214 1
1 548 . 13 1 1 A 51 51 CYS C C 51 175.814 174.955 0.859 1
1 549 . 13 1 1 A 52 52 HIS N N 52 116.961 115.414 1.547 1
1 550 . 13 1 1 A 52 52 HIS H H 52 7.714 8.051 -0.337 1
1 551 . 13 1 1 A 52 52 HIS CA C 52 58.187 56.329 1.858 1
1 552 . 13 1 1 A 52 52 HIS HA H 52 4.521 4.199 0.322 1
1 553 . 13 1 1 A 52 52 HIS CB C 52 27.079 26.970 0.109 1
1 560 . 13 1 1 A 52 52 HIS C C 52 174.215 174.345 -0.130 1
1 561 . 13 1 1 A 53 53 LYS N N 53 122.651 118.307 4.344 1
1 562 . 13 1 1 A 53 53 LYS H H 53 7.902 8.092 -0.190 1
1 563 . 13 1 1 A 53 53 LYS CA C 53 58.205 55.408 2.797 1
1 564 . 13 1 1 A 53 53 LYS HA H 53 4.051 4.321 -0.270 1
1 565 . 13 1 1 A 53 53 LYS CB C 53 33.868 33.447 0.421 1
1 577 . 13 1 1 A 53 53 LYS C C 53 173.816 175.515 -1.699 1
1 578 . 13 1 1 A 54 54 ALA N N 54 124.589 123.417 1.172 1
1 579 . 13 1 1 A 54 54 ALA H H 54 7.885 8.580 -0.695 1
1 580 . 13 1 1 A 54 54 ALA CA C 54 50.573 50.057 0.516 1
1 581 . 13 1 1 A 54 54 ALA HA H 54 5.098 5.564 -0.466 1
1 582 . 13 1 1 A 54 54 ALA CB C 54 22.290 21.378 0.912 1
1 586 . 13 1 1 A 54 54 ALA C C 54 176.763 176.376 0.387 1
1 587 . 13 1 1 A 55 55 PHE N N 55 117.946 119.735 -1.789 1
1 588 . 13 1 1 A 55 55 PHE H H 55 9.044 9.063 -0.019 1
1 589 . 13 1 1 A 55 55 PHE CA C 55 57.320 56.904 0.416 1
1 590 . 13 1 1 A 55 55 PHE HA H 55 4.724 4.876 -0.152 1
1 591 . 13 1 1 A 55 55 PHE CB C 55 43.710 43.311 0.399 1
1 604 . 13 1 1 A 55 55 PHE C C 55 175.251 175.877 -0.626 1
1 605 . 13 1 1 A 56 56 ARG N N 56 119.843 121.233 -1.390 1
1 606 . 13 1 1 A 56 56 ARG H H 56 9.587 8.720 0.867 1
1 607 . 13 1 1 A 56 56 ARG CA C 56 58.117 58.446 -0.329 1
1 608 . 13 1 1 A 56 56 ARG HA H 56 4.603 4.146 0.457 1
1 609 . 13 1 1 A 56 56 ARG CB C 56 31.741 30.654 1.087 1
1 618 . 13 1 1 A 56 56 ARG C C 56 176.201 176.216 -0.015 1
1 619 . 13 1 1 A 57 57 ARG N N 57 113.134 117.739 -4.605 1
1 620 . 13 1 1 A 57 57 ARG H H 57 7.273 8.004 -0.731 1
1 621 . 13 1 1 A 57 57 ARG CA C 57 53.978 54.899 -0.921 1
1 622 . 13 1 1 A 57 57 ARG HA H 57 4.650 4.380 0.270 1
1 623 . 13 1 1 A 57 57 ARG CB C 57 34.701 32.041 2.660 1
1 632 . 13 1 1 A 57 57 ARG C C 57 176.296 177.725 -1.429 1
1 633 . 13 1 1 A 58 58 GLN N N 58 124.070 121.137 2.933 1
1 634 . 13 1 1 A 58 58 GLN H H 58 8.583 8.735 -0.152 1
1 635 . 13 1 1 A 58 58 GLN CA C 58 59.036 59.374 -0.338 1
1 636 . 13 1 1 A 58 58 GLN HA H 58 3.004 4.045 -1.041 1
1 637 . 13 1 1 A 58 58 GLN CB C 58 28.229 28.679 -0.450 1
1 646 . 13 1 1 A 58 58 GLN C C 58 177.925 177.566 0.359 1
1 647 . 13 1 1 A 59 59 ASP CA C 59 56.406 56.596 -0.190 1
1 648 . 13 1 1 A 59 59 ASP HA H 59 4.046 4.388 -0.342 1
1 649 . 13 1 1 A 59 59 ASP CB C 59 38.248 40.302 -2.054 1
1 652 . 13 1 1 A 59 59 ASP C C 59 177.698 178.321 -0.623 1
1 653 . 13 1 1 A 60 60 HIS N N 60 119.173 117.752 1.421 1
1 654 . 13 1 1 A 60 60 HIS H H 60 6.954 7.752 -0.798 1
1 655 . 13 1 1 A 60 60 HIS CA C 60 56.843 59.301 -2.458 1
1 656 . 13 1 1 A 60 60 HIS HA H 60 4.432 4.322 0.110 1
1 657 . 13 1 1 A 60 60 HIS CB C 60 31.752 29.901 1.851 1
1 664 . 13 1 1 A 60 60 HIS C C 60 178.617 177.975 0.642 1
1 665 . 13 1 1 A 61 61 LEU N N 61 120.844 120.441 0.403 1
1 666 . 13 1 1 A 61 61 LEU H H 61 6.979 8.007 -1.028 1
1 667 . 13 1 1 A 61 61 LEU CA C 61 57.728 57.393 0.335 1
1 668 . 13 1 1 A 61 61 LEU HA H 61 3.145 2.525 0.620 1
1 669 . 13 1 1 A 61 61 LEU CB C 61 40.153 41.449 -1.296 1
1 682 . 13 1 1 A 61 61 LEU C C 61 176.855 178.719 -1.864 1
1 683 . 13 1 1 A 62 62 ARG N N 62 120.225 119.846 0.379 1
1 684 . 13 1 1 A 62 62 ARG H H 62 8.012 8.432 -0.420 1
1 685 . 13 1 1 A 62 62 ARG CA C 62 59.526 59.329 0.197 1
1 686 . 13 1 1 A 62 62 ARG HA H 62 3.724 4.059 -0.335 1
1 687 . 13 1 1 A 62 62 ARG CB C 62 29.388 30.012 -0.624 1
1 696 . 13 1 1 A 62 62 ARG C C 62 178.582 178.853 -0.271 1
1 697 . 13 1 1 A 63 63 ASP N N 63 117.219 120.056 -2.837 1
1 698 . 13 1 1 A 63 63 ASP H H 63 7.823 8.537 -0.714 1
1 699 . 13 1 1 A 63 63 ASP CA C 63 56.694 57.440 -0.746 1
1 700 . 13 1 1 A 63 63 ASP HA H 63 4.401 4.244 0.157 1
1 701 . 13 1 1 A 63 63 ASP CB C 63 40.226 40.476 -0.250 1
1 704 . 13 1 1 A 63 63 ASP C C 63 178.560 179.157 -0.597 1
1 705 . 13 1 1 A 64 64 HIS N N 64 119.185 120.782 -1.597 1
1 706 . 13 1 1 A 64 64 HIS H H 64 7.606 7.743 -0.137 1
1 707 . 13 1 1 A 64 64 HIS CA C 64 58.772 59.677 -0.905 1
1 708 . 13 1 1 A 64 64 HIS HA H 64 4.211 4.192 0.019 1
1 709 . 13 1 1 A 64 64 HIS CB C 64 28.533 29.915 -1.382 1
1 716 . 13 1 1 A 64 64 HIS C C 64 176.334 177.476 -1.142 1
1 717 . 13 1 1 A 65 65 ARG N N 65 116.490 118.666 -2.176 1
1 718 . 13 1 1 A 65 65 ARG H H 65 8.157 8.116 0.041 1
1 719 . 13 1 1 A 65 65 ARG CA C 65 59.666 59.163 0.503 1
1 720 . 13 1 1 A 65 65 ARG HA H 65 3.576 4.085 -0.509 1
1 721 . 13 1 1 A 65 65 ARG CB C 65 29.958 29.864 0.094 1
1 730 . 13 1 1 A 65 65 ARG C C 65 178.301 177.998 0.303 1
1 731 . 13 1 1 A 66 66 TYR N N 66 117.286 120.098 -2.812 1
1 732 . 13 1 1 A 66 66 TYR H H 66 7.169 7.675 -0.506 1
1 733 . 13 1 1 A 66 66 TYR CA C 66 60.186 61.378 -1.192 1
1 734 . 13 1 1 A 66 66 TYR HA H 66 4.339 4.122 0.217 1
1 735 . 13 1 1 A 66 66 TYR CB C 66 37.960 38.593 -0.633 1
1 746 . 13 1 1 A 66 66 TYR C C 66 178.191 177.682 0.509 1
1 747 . 13 1 1 A 67 67 ILE N N 67 117.609 115.819 1.790 1
1 748 . 13 1 1 A 67 67 ILE H H 67 7.883 7.785 0.098 1
1 749 . 13 1 1 A 67 67 ILE CA C 67 63.440 63.873 -0.433 1
1 750 . 13 1 1 A 67 67 ILE HA H 67 3.836 3.337 0.499 1
1 751 . 13 1 1 A 67 67 ILE CB C 67 37.482 37.155 0.327 1
1 764 . 13 1 1 A 67 67 ILE C C 67 177.511 176.158 1.353 1
1 765 . 13 1 1 A 68 68 HIS N N 68 116.764 120.744 -3.980 1
1 766 . 13 1 1 A 68 68 HIS H H 68 7.140 7.623 -0.483 1
1 767 . 13 1 1 A 68 68 HIS CA C 68 55.340 54.441 0.899 1
1 768 . 13 1 1 A 68 68 HIS HA H 68 4.768 4.622 0.146 1
1 769 . 13 1 1 A 68 68 HIS CB C 68 28.687 27.777 0.910 1
1 776 . 13 1 1 A 68 68 HIS C C 68 175.627 175.516 0.111 1
1 777 . 13 1 1 A 69 69 SER N N 69 114.870 115.805 -0.935 1
1 778 . 13 1 1 A 69 69 SER H H 69 7.731 8.025 -0.294 1
1 779 . 13 1 1 A 69 69 SER CA C 69 59.200 57.823 1.377 1
1 780 . 13 1 1 A 69 69 SER HA H 69 4.379 4.386 -0.007 1
1 781 . 13 1 1 A 69 69 SER CB C 69 63.765 62.635 1.130 1
1 784 . 13 1 1 A 69 69 SER C C 69 174.692 174.816 -0.124 1
1 785 . 13 1 1 A 70 70 LYS N N 70 121.978 119.949 2.029 1
1 786 . 13 1 1 A 70 70 LYS H H 70 8.063 8.036 0.027 1
1 787 . 13 1 1 A 70 70 LYS CA C 70 56.825 57.418 -0.593 1
1 788 . 13 1 1 A 70 70 LYS HA H 70 4.214 3.949 0.265 1
1 789 . 13 1 1 A 70 70 LYS CB C 70 32.539 31.262 1.277 1
1 801 . 13 1 1 A 70 70 LYS C C 70 176.806 174.995 1.811 1
1 802 . 13 1 1 A 71 71 GLU N N 71 120.177 118.367 1.810 1
1 803 . 13 1 1 A 71 71 GLU H H 71 8.008 7.686 0.322 1
1 804 . 13 1 1 A 71 71 GLU CA C 71 56.472 54.548 1.924 1
1 805 . 13 1 1 A 71 71 GLU HA H 71 4.191 4.937 -0.746 1
1 806 . 13 1 1 A 71 71 GLU CB C 71 29.335 33.303 -3.968 1
1 811 . 13 1 1 A 71 71 GLU C C 71 176.040 175.671 0.369 1
1 812 . 13 1 1 A 72 72 LYS N N 72 121.800 121.562 0.238 1
1 813 . 13 1 1 A 72 72 LYS H H 72 8.277 8.715 -0.438 1
1 814 . 13 1 1 A 72 72 LYS CA C 72 53.820 53.150 0.670 1
1 815 . 13 1 1 A 72 72 LYS HA H 72 4.391 4.744 -0.353 1
1 816 . 13 1 1 A 72 72 LYS CB C 72 32.139 32.867 -0.728 1
1 828 . 13 1 1 A 72 72 LYS C C 72 174.768 176.510 -1.742 1
1 829 . 13 1 1 A 73 73 PRO CA C 73 63.978 64.535 -0.557 1
1 830 . 13 1 1 A 73 73 PRO HA H 73 4.144 4.491 -0.347 1
1 831 . 13 1 1 A 73 73 PRO CB C 73 31.953 31.809 0.144 1
1 840 . 13 1 1 A 73 73 PRO C C 73 176.402 177.562 -1.160 1
1 841 . 13 1 1 A 74 74 PHE N N 74 117.425 117.082 0.343 1
1 842 . 13 1 1 A 74 74 PHE H H 74 7.686 8.240 -0.554 1
1 843 . 13 1 1 A 74 74 PHE CA C 74 57.020 60.175 -3.155 1
1 844 . 13 1 1 A 74 74 PHE HA H 74 4.691 4.270 0.421 1
1 845 . 13 1 1 A 74 74 PHE CB C 74 39.403 39.862 -0.459 1
1 856 . 13 1 1 A 74 74 PHE C C 74 174.442 176.095 -1.653 1
1 857 . 13 1 1 A 75 75 LYS N N 75 123.931 118.431 5.500 1
1 858 . 13 1 1 A 75 75 LYS H H 75 8.590 7.741 0.849 1
1 859 . 13 1 1 A 75 75 LYS CA C 75 54.951 55.165 -0.214 1
1 860 . 13 1 1 A 75 75 LYS HA H 75 5.021 4.814 0.207 1
1 861 . 13 1 1 A 75 75 LYS CB C 75 35.286 34.275 1.011 1
1 873 . 13 1 1 A 75 75 LYS C C 75 175.465 175.553 -0.088 1
1 874 . 13 1 1 A 76 76 CYS N N 76 126.279 125.476 0.803 1
1 875 . 13 1 1 A 76 76 CYS H H 76 9.149 8.307 0.842 1
1 876 . 13 1 1 A 76 76 CYS CA C 76 59.553 57.963 1.590 1
1 877 . 13 1 1 A 76 76 CYS HA H 76 4.462 4.627 -0.165 1
1 878 . 13 1 1 A 76 76 CYS CB C 76 29.772 26.662 3.110 1
1 881 . 13 1 1 A 76 76 CYS C C 76 177.367 174.939 2.428 1
1 882 . 13 1 1 A 77 77 GLN CA C 77 58.117 58.893 -0.776 1
1 883 . 13 1 1 A 77 77 GLN HA H 77 4.130 3.916 0.214 1
1 884 . 13 1 1 A 77 77 GLN CB C 77 28.479 28.486 -0.007 1
1 893 . 13 1 1 A 77 77 GLN C C 77 176.283 177.566 -1.283 1
1 894 . 13 1 1 A 78 78 GLU N N 78 120.320 118.742 1.578 1
1 895 . 13 1 1 A 78 78 GLU H H 78 8.682 8.661 0.021 1
1 896 . 13 1 1 A 78 78 GLU CA C 78 58.540 59.140 -0.600 1
1 897 . 13 1 1 A 78 78 GLU HA H 78 4.165 4.017 0.148 1
1 898 . 13 1 1 A 78 78 GLU CB C 78 29.469 29.150 0.319 1
1 904 . 13 1 1 A 78 78 GLU C C 78 177.275 178.688 -1.413 1
1 905 . 13 1 1 A 79 79 CYS N N 79 114.728 114.791 -0.063 1
1 906 . 13 1 1 A 79 79 CYS H H 79 8.018 7.880 0.138 1
1 907 . 13 1 1 A 79 79 CYS CA C 79 58.271 60.034 -1.763 1
1 908 . 13 1 1 A 79 79 CYS HA H 79 5.142 4.530 0.612 1
1 909 . 13 1 1 A 79 79 CYS CB C 79 32.339 29.172 3.167 1
1 912 . 13 1 1 A 79 79 CYS C C 79 176.280 175.569 0.711 1
1 913 . 13 1 1 A 80 80 GLY N N 80 113.675 110.165 3.510 1
1 914 . 13 1 1 A 80 80 GLY H H 80 8.133 8.808 -0.675 1
1 915 . 13 1 1 A 80 80 GLY CA C 80 46.206 46.282 -0.076 1
1 916 . 13 1 1 A 80 80 GLY HA2 H 80 4.213 3.974 0.239 1
1 917 . 13 1 1 A 80 80 GLY HA3 H 80 3.755 3.981 -0.226 1
1 918 . 13 1 1 A 80 80 GLY C C 80 173.619 174.184 -0.565 1
1 919 . 13 1 1 A 81 81 LYS N N 81 122.811 119.158 3.653 1
1 920 . 13 1 1 A 81 81 LYS H H 81 7.945 7.858 0.087 1
1 921 . 13 1 1 A 81 81 LYS CA C 81 58.211 54.084 4.127 1
1 922 . 13 1 1 A 81 81 LYS HA H 81 3.947 4.664 -0.717 1
1 923 . 13 1 1 A 81 81 LYS CB C 81 33.921 35.062 -1.141 1
1 935 . 13 1 1 A 81 81 LYS C C 81 174.639 175.537 -0.898 1
1 936 . 13 1 1 A 82 82 GLY N N 82 108.366 109.898 -1.532 1
1 937 . 13 1 1 A 82 82 GLY H H 82 7.936 8.301 -0.365 1
1 938 . 13 1 1 A 82 82 GLY CA C 82 44.048 46.274 -2.226 1
1 939 . 13 1 1 A 82 82 GLY HA2 H 82 4.847 4.134 0.713 1
1 940 . 13 1 1 A 82 82 GLY HA3 H 82 3.291 4.188 -0.897 1
1 941 . 13 1 1 A 82 82 GLY C C 82 172.166 173.523 -1.357 1
1 942 . 13 1 1 A 83 83 PHE N N 83 117.822 122.591 -4.769 1
1 943 . 13 1 1 A 83 83 PHE H H 83 8.697 8.162 0.535 1
1 944 . 13 1 1 A 83 83 PHE CA C 83 57.338 58.133 -0.795 1
1 945 . 13 1 1 A 83 83 PHE HA H 83 4.755 4.533 0.222 1
1 946 . 13 1 1 A 83 83 PHE CB C 83 43.462 39.593 3.869 1
1 959 . 13 1 1 A 83 83 PHE C C 83 175.424 176.785 -1.361 1
1 960 . 13 1 1 A 84 84 CYS CA C 84 60.706 60.699 0.007 1
1 961 . 13 1 1 A 84 84 CYS HA H 84 4.608 4.483 0.125 1
1 962 . 13 1 1 A 84 84 CYS CB C 84 28.990 28.822 0.168 1
1 965 . 13 1 1 A 84 84 CYS C C 84 174.163 175.496 -1.333 1
1 966 . 13 1 1 A 85 85 GLN N N 85 114.620 120.956 -6.336 1
1 967 . 13 1 1 A 85 85 GLN H H 85 7.326 7.815 -0.489 1
1 968 . 13 1 1 A 85 85 GLN CA C 85 54.098 54.825 -0.727 1
1 969 . 13 1 1 A 85 85 GLN HA H 85 4.648 4.544 0.104 1
1 970 . 13 1 1 A 85 85 GLN CB C 85 32.066 29.603 2.463 1
1 979 . 13 1 1 A 85 85 GLN C C 85 175.230 176.362 -1.132 1
1 980 . 13 1 1 A 86 86 SER CA C 86 61.164 60.784 0.380 1
1 981 . 13 1 1 A 86 86 SER HA H 86 3.078 4.200 -1.122 1
1 982 . 13 1 1 A 86 86 SER CB C 86 61.738 63.786 -2.048 1
1 985 . 13 1 1 A 87 87 ARG CA C 87 58.886 58.669 0.217 1
1 986 . 13 1 1 A 87 87 ARG HA H 87 4.049 4.035 0.014 1
1 987 . 13 1 1 A 87 87 ARG CB C 87 29.519 30.020 -0.501 1
1 996 . 13 1 1 A 87 87 ARG C C 87 177.520 178.464 -0.944 1
1 997 . 13 1 1 A 88 88 THR N N 88 112.500 116.309 -3.809 1
1 998 . 13 1 1 A 88 88 THR H H 88 6.796 7.913 -1.117 1
1 999 . 13 1 1 A 88 88 THR CA C 88 64.598 66.987 -2.389 1
1 1000 . 13 1 1 A 88 88 THR HA H 88 3.844 3.847 -0.003 1
1 1001 . 13 1 1 A 88 88 THR CB C 88 67.809 67.983 -0.174 1
1 1007 . 13 1 1 A 88 88 THR C C 88 177.343 176.028 1.315 1
1 1008 . 13 1 1 A 89 89 LEU N N 89 123.163 120.933 2.230 1
1 1009 . 13 1 1 A 89 89 LEU H H 89 6.898 8.112 -1.214 1
1 1010 . 13 1 1 A 89 89 LEU CA C 89 57.692 57.266 0.426 1
1 1011 . 13 1 1 A 89 89 LEU HA H 89 3.147 3.269 -0.122 1
1 1012 . 13 1 1 A 89 89 LEU CB C 89 40.133 41.050 -0.917 1
1 1025 . 13 1 1 A 89 89 LEU C C 89 176.886 178.300 -1.414 1
1 1026 . 13 1 1 A 90 90 ALA N N 90 120.747 120.477 0.270 1
1 1027 . 13 1 1 A 90 90 ALA H H 90 7.837 7.913 -0.076 1
1 1028 . 13 1 1 A 90 90 ALA CA C 90 55.646 55.200 0.446 1
1 1029 . 13 1 1 A 90 90 ALA HA H 90 3.914 3.922 -0.008 1
1 1030 . 13 1 1 A 90 90 ALA CB C 90 17.722 18.085 -0.363 1
1 1034 . 13 1 1 A 90 90 ALA C C 90 180.692 180.433 0.259 1
1 1035 . 13 1 1 A 91 91 VAL N N 91 117.181 118.468 -1.287 1
1 1036 . 13 1 1 A 91 91 VAL H H 91 7.475 7.406 0.069 1
1 1037 . 13 1 1 A 91 91 VAL CA C 91 65.880 66.313 -0.433 1
1 1038 . 13 1 1 A 91 91 VAL HA H 91 3.662 3.733 -0.071 1
1 1039 . 13 1 1 A 91 91 VAL CB C 91 32.018 31.732 0.286 1
1 1049 . 13 1 1 A 91 91 VAL C C 91 178.708 178.037 0.671 1
1 1050 . 13 1 1 A 92 92 HIS N N 92 121.501 119.435 2.066 1
1 1051 . 13 1 1 A 92 92 HIS H H 92 7.625 7.860 -0.235 1
1 1052 . 13 1 1 A 92 92 HIS CA C 92 59.553 59.901 -0.348 1
1 1053 . 13 1 1 A 92 92 HIS HA H 92 4.095 3.922 0.173 1
1 1054 . 13 1 1 A 92 92 HIS CB C 92 28.040 29.605 -1.565 1
1 1061 . 13 1 1 A 92 92 HIS C C 92 176.518 176.353 0.165 1
1 1062 . 13 1 1 A 93 93 LYS N N 93 116.162 117.274 -1.112 1
1 1063 . 13 1 1 A 93 93 LYS H H 93 8.372 7.756 0.616 1
1 1064 . 13 1 1 A 93 93 LYS CA C 93 60.253 59.589 0.664 1
1 1065 . 13 1 1 A 93 93 LYS HA H 93 3.732 3.894 -0.162 1
1 1066 . 13 1 1 A 93 93 LYS CB C 93 32.158 32.434 -0.276 1
1 1078 . 13 1 1 A 93 93 LYS C C 93 179.211 178.325 0.886 1
1 1079 . 13 1 1 A 94 94 THR N N 94 111.607 112.778 -1.171 1
1 1080 . 13 1 1 A 94 94 THR H H 94 7.434 8.275 -0.841 1
1 1081 . 13 1 1 A 94 94 THR CA C 94 65.106 65.618 -0.512 1
1 1082 . 13 1 1 A 94 94 THR HA H 94 4.034 4.013 0.021 1
1 1083 . 13 1 1 A 94 94 THR CB C 94 69.075 68.123 0.952 1
1 1089 . 13 1 1 A 94 94 THR C C 94 176.406 177.283 -0.877 1
1 1090 . 13 1 1 A 95 95 LEU N N 95 121.689 122.982 -1.293 1
1 1091 . 13 1 1 A 95 95 LEU H H 95 7.725 7.972 -0.247 1
1 1092 . 13 1 1 A 95 95 LEU CA C 95 56.680 57.555 -0.875 1
1 1093 . 13 1 1 A 95 95 LEU HA H 95 4.020 3.872 0.148 1
1 1094 . 13 1 1 A 95 95 LEU CB C 95 41.186 41.251 -0.065 1
1 1107 . 13 1 1 A 95 95 LEU C C 95 178.956 177.945 1.011 1
1 1108 . 13 1 1 A 96 96 HIS N N 96 114.750 115.543 -0.793 1
1 1109 . 13 1 1 A 96 96 HIS H H 96 7.160 7.688 -0.528 1
1 1110 . 13 1 1 A 96 96 HIS CA C 96 55.206 54.226 0.980 1
1 1111 . 13 1 1 A 96 96 HIS HA H 96 4.730 4.746 -0.016 1
1 1112 . 13 1 1 A 96 96 HIS CB C 96 28.687 27.644 1.043 1
1 1119 . 13 1 1 A 96 96 HIS C C 96 175.230 175.347 -0.117 1
1 1120 . 13 1 1 A 97 97 MET N N 97 118.984 120.465 -1.481 1
1 1121 . 13 1 1 A 97 97 MET H H 97 7.626 7.716 -0.090 1
1 1122 . 13 1 1 A 97 97 MET CA C 97 55.995 58.376 -2.381 1
1 1123 . 13 1 1 A 97 97 MET HA H 97 4.424 4.071 0.353 1
1 1124 . 13 1 1 A 97 97 MET CB C 97 33.065 32.138 0.927 1
1 1134 . 13 1 1 A 97 97 MET C C 97 176.174 176.771 -0.597 1
1 1135 . 13 1 1 A 98 98 GLN N N 98 120.828 114.446 6.382 1
1 1136 . 13 1 1 A 98 98 GLN H H 98 8.271 7.850 0.421 1
1 1137 . 13 1 1 A 98 98 GLN CA C 98 55.951 54.849 1.102 1
1 1138 . 13 1 1 A 98 98 GLN HA H 98 4.382 4.561 -0.179 1
1 1139 . 13 1 1 A 98 98 GLN CB C 98 29.364 29.090 0.274 1
1 1148 . 13 1 1 A 98 98 GLN C C 98 176.242 176.177 0.065 1
1 1149 . 13 1 1 A 99 99 THR N N 99 114.965 120.458 -5.493 1
1 1150 . 13 1 1 A 99 99 THR H H 99 8.200 8.945 -0.745 1
1 1151 . 13 1 1 A 99 99 THR CA C 99 61.773 65.312 -3.539 1
1 1152 . 13 1 1 A 99 99 THR HA H 99 4.374 4.029 0.345 1
1 1153 . 13 1 1 A 99 99 THR CB C 99 69.654 68.737 0.917 1
1 1159 . 13 1 1 A 99 99 THR C C 99 174.491 174.739 -0.248 1
1 1160 . 13 1 1 A 100 100 SER N N 100 118.047 111.023 7.024 1
1 1161 . 13 1 1 A 100 100 SER H H 100 8.311 7.668 0.643 1
1 1162 . 13 1 1 A 100 100 SER CA C 100 58.240 57.609 0.631 1
1 1163 . 13 1 1 A 100 100 SER HA H 100 4.493 4.620 -0.127 1
1 1164 . 13 1 1 A 100 100 SER CB C 100 63.843 65.321 -1.478 1
1 1167 . 13 1 1 A 100 100 SER C C 100 174.152 172.137 2.015 1
1 1168 . 13 1 1 A 101 101 SER N N 101 118.812 116.874 1.938 1
1 1169 . 13 1 1 A 101 101 SER H H 101 8.358 8.734 -0.376 1
1 1170 . 13 1 1 A 101 101 SER CA C 101 56.348 55.833 0.515 1
1 1171 . 13 1 1 A 101 101 SER HA H 101 4.773 4.917 -0.144 1
1 1172 . 13 1 1 A 101 101 SER CB C 101 63.554 63.592 -0.038 1
1 1175 . 13 1 1 A 101 101 SER C C 101 172.898 172.297 0.601 1
1 1176 . 13 1 1 A 102 102 PRO CA C 102 63.453 62.379 1.074 1
1 1177 . 13 1 1 A 102 102 PRO HA H 102 4.485 4.628 -0.143 1
1 1178 . 13 1 1 A 102 102 PRO CB C 102 32.126 32.565 -0.439 1
1 1187 . 13 1 1 A 102 102 PRO C C 102 177.181 176.987 0.194 1
1 1188 . 13 1 1 A 103 103 THR N N 103 114.257 112.110 2.147 1
1 1189 . 13 1 1 A 103 103 THR H H 103 8.188 8.305 -0.117 1
1 1190 . 13 1 1 A 103 103 THR CA C 103 61.748 60.454 1.294 1
1 1191 . 13 1 1 A 103 103 THR HA H 103 4.273 4.527 -0.254 1
1 1192 . 13 1 1 A 103 103 THR CB C 103 69.833 71.038 -1.205 1
1 1198 . 13 1 1 A 103 103 THR C C 103 174.258 174.475 -0.217 1
1 1199 . 13 1 1 A 104 104 ALA N N 104 126.872 123.401 3.471 1
1 1200 . 13 1 1 A 104 104 ALA H H 104 8.240 8.466 -0.226 1
1 1201 . 13 1 1 A 104 104 ALA CA C 104 52.369 52.358 0.011 1
1 1202 . 13 1 1 A 104 104 ALA HA H 104 4.316 4.264 0.052 1
1 1203 . 13 1 1 A 104 104 ALA CB C 104 19.417 18.719 0.698 1
1 1207 . 13 1 1 A 104 104 ALA C C 104 177.129 177.223 -0.094 1
1 1208 . 13 1 1 A 105 105 ALA N N 105 124.353 126.987 -2.634 1
1 1209 . 13 1 1 A 105 105 ALA H H 105 8.312 8.554 -0.242 1
1 1210 . 13 1 1 A 105 105 ALA CA C 105 52.408 52.925 -0.517 1
1 1211 . 13 1 1 A 105 105 ALA HA H 105 4.327 4.214 0.113 1
1 1212 . 13 1 1 A 105 105 ALA CB C 105 19.416 18.889 0.527 1
1 1216 . 13 1 1 A 105 105 ALA C C 105 176.902 178.777 -1.875 1
1 1 . 14 1 1 A 8 8 GLY CA C 8 45.171 45.727 -0.556 1
1 2 . 14 1 1 A 8 8 GLY HA2 H 8 3.976 4.165 -0.189 1
1 3 . 14 1 1 A 8 8 GLY HA3 H 8 3.976 4.165 -0.189 1
1 4 . 14 1 1 A 8 8 GLY C C 8 173.956 172.294 1.662 1
1 5 . 14 1 1 A 9 9 ARG N N 9 120.445 126.026 -5.581 1
1 6 . 14 1 1 A 9 9 ARG H H 9 8.126 8.924 -0.798 1
1 7 . 14 1 1 A 9 9 ARG CA C 9 55.873 54.440 1.433 1
1 8 . 14 1 1 A 9 9 ARG HA H 9 4.318 5.065 -0.747 1
1 9 . 14 1 1 A 9 9 ARG CB C 9 30.899 33.236 -2.337 1
1 18 . 14 1 1 A 9 9 ARG C C 9 176.192 175.828 0.364 1
1 19 . 14 1 1 A 10 10 LEU N N 10 125.156 126.833 -1.677 1
1 20 . 14 1 1 A 10 10 LEU H H 10 8.357 8.628 -0.271 1
1 21 . 14 1 1 A 10 10 LEU CA C 10 53.058 53.555 -0.497 1
1 22 . 14 1 1 A 10 10 LEU HA H 10 4.589 4.530 0.059 1
1 23 . 14 1 1 A 10 10 LEU CB C 10 41.599 41.135 0.464 1
1 36 . 14 1 1 A 10 10 LEU C C 10 175.327 174.874 0.453 1
1 37 . 14 1 1 A 11 11 PRO CA C 11 63.064 62.798 0.266 1
1 38 . 14 1 1 A 11 11 PRO HA H 11 4.416 4.764 -0.348 1
1 39 . 14 1 1 A 11 11 PRO CB C 11 32.095 31.668 0.427 1
1 48 . 14 1 1 A 13 13 LYS CA C 13 56.353 54.831 1.522 1
1 49 . 14 1 1 A 13 13 LYS HA H 13 4.383 5.085 -0.702 1
1 50 . 14 1 1 A 13 13 LYS CB C 13 33.019 35.908 -2.889 1
1 62 . 14 1 1 A 13 13 LYS C C 13 176.694 174.436 2.258 1
1 63 . 14 1 1 A 14 14 THR N N 14 115.691 121.807 -6.116 1
1 64 . 14 1 1 A 14 14 THR H H 14 8.140 9.077 -0.937 1
1 65 . 14 1 1 A 14 14 THR CA C 14 61.919 61.445 0.474 1
1 66 . 14 1 1 A 14 14 THR HA H 14 4.265 4.932 -0.667 1
1 67 . 14 1 1 A 14 14 THR CB C 14 69.860 70.558 -0.698 1
1 73 . 14 1 1 A 14 14 THR C C 14 174.261 174.166 0.095 1
1 74 . 14 1 1 A 15 15 LYS N N 15 124.645 126.904 -2.259 1
1 75 . 14 1 1 A 15 15 LYS H H 15 8.323 8.791 -0.468 1
1 76 . 14 1 1 A 15 15 LYS CA C 15 56.226 57.542 -1.316 1
1 77 . 14 1 1 A 15 15 LYS HA H 15 4.278 4.432 -0.154 1
1 78 . 14 1 1 A 15 15 LYS CB C 15 33.220 34.618 -1.398 1
1 90 . 14 1 1 A 15 15 LYS C C 15 175.921 176.430 -0.509 1
1 91 . 14 1 1 A 16 16 LYS N N 16 123.830 118.349 5.481 1
1 92 . 14 1 1 A 16 16 LYS H H 16 8.332 7.865 0.467 1
1 93 . 14 1 1 A 16 16 LYS CA C 16 55.966 57.338 -1.372 1
1 94 . 14 1 1 A 16 16 LYS HA H 16 4.192 3.706 0.486 1
1 95 . 14 1 1 A 16 16 LYS CB C 16 33.028 29.546 3.482 1
1 107 . 14 1 1 A 16 16 LYS C C 16 175.334 174.774 0.560 1
1 108 . 14 1 1 A 17 17 GLU N N 17 121.077 116.960 4.117 1
1 109 . 14 1 1 A 17 17 GLU H H 17 7.931 7.461 0.470 1
1 110 . 14 1 1 A 17 17 GLU CA C 17 55.463 54.519 0.944 1
1 111 . 14 1 1 A 17 17 GLU HA H 17 4.300 5.001 -0.701 1
1 112 . 14 1 1 A 17 17 GLU CB C 17 31.984 33.581 -1.597 1
1 118 . 14 1 1 A 17 17 GLU C C 17 174.646 175.137 -0.491 1
1 119 . 14 1 1 A 18 18 PHE N N 18 121.605 117.987 3.618 1
1 120 . 14 1 1 A 18 18 PHE H H 18 8.560 8.724 -0.164 1
1 121 . 14 1 1 A 18 18 PHE CA C 18 56.963 56.606 0.357 1
1 122 . 14 1 1 A 18 18 PHE HA H 18 4.675 5.334 -0.659 1
1 123 . 14 1 1 A 18 18 PHE CB C 18 39.653 43.459 -3.806 1
1 134 . 14 1 1 A 18 18 PHE C C 18 173.933 175.100 -1.167 1
1 135 . 14 1 1 A 19 19 ILE N N 19 123.977 119.425 4.552 1
1 136 . 14 1 1 A 19 19 ILE H H 19 8.425 8.915 -0.490 1
1 137 . 14 1 1 A 19 19 ILE CA C 19 59.740 59.837 -0.097 1
1 138 . 14 1 1 A 19 19 ILE HA H 19 4.654 5.021 -0.367 1
1 139 . 14 1 1 A 19 19 ILE CB C 19 41.000 41.815 -0.815 1
1 152 . 14 1 1 A 19 19 ILE C C 19 175.584 174.875 0.709 1
1 153 . 14 1 1 A 20 20 CYS N N 20 129.741 127.262 2.479 1
1 154 . 14 1 1 A 20 20 CYS H H 20 9.224 9.006 0.218 1
1 155 . 14 1 1 A 20 20 CYS CA C 20 59.974 59.358 0.616 1
1 156 . 14 1 1 A 20 20 CYS HA H 20 4.827 4.503 0.324 1
1 157 . 14 1 1 A 20 20 CYS CB C 20 30.335 28.732 1.603 1
1 160 . 14 1 1 A 20 20 CYS C C 20 178.043 175.498 2.545 1
1 161 . 14 1 1 A 21 21 LYS N N 21 132.598 122.146 10.452 1
1 162 . 14 1 1 A 21 21 LYS H H 21 9.473 8.432 1.041 1
1 163 . 14 1 1 A 21 21 LYS CA C 21 58.099 56.555 1.544 1
1 164 . 14 1 1 A 21 21 LYS HA H 21 4.104 4.603 -0.499 1
1 165 . 14 1 1 A 21 21 LYS CB C 21 31.695 34.367 -2.672 1
1 177 . 14 1 1 A 21 21 LYS C C 21 175.765 177.586 -1.821 1
1 178 . 14 1 1 A 22 22 PHE N N 22 121.000 117.591 3.409 1
1 179 . 14 1 1 A 22 22 PHE H H 22 9.158 7.398 1.760 1
1 180 . 14 1 1 A 22 22 PHE CA C 22 59.743 60.331 -0.588 1
1 181 . 14 1 1 A 22 22 PHE HA H 22 4.394 4.144 0.250 1
1 182 . 14 1 1 A 22 22 PHE CB C 22 37.953 39.311 -1.358 1
1 195 . 14 1 1 A 22 22 PHE C C 22 176.819 176.636 0.183 1
1 196 . 14 1 1 A 23 23 CYS N N 23 115.955 113.711 2.244 1
1 197 . 14 1 1 A 23 23 CYS H H 23 8.410 7.928 0.482 1
1 198 . 14 1 1 A 23 23 CYS CA C 23 58.486 59.323 -0.837 1
1 199 . 14 1 1 A 23 23 CYS HA H 23 5.262 4.750 0.512 1
1 200 . 14 1 1 A 23 23 CYS CB C 23 33.092 30.337 2.755 1
1 203 . 14 1 1 A 23 23 CYS C C 23 176.770 175.752 1.018 1
1 204 . 14 1 1 A 24 24 GLY N N 24 112.575 110.854 1.721 1
1 205 . 14 1 1 A 24 24 GLY H H 24 8.092 8.255 -0.163 1
1 206 . 14 1 1 A 24 24 GLY CA C 24 46.302 46.601 -0.299 1
1 207 . 14 1 1 A 24 24 GLY HA2 H 24 4.238 3.947 0.291 1
1 208 . 14 1 1 A 24 24 GLY HA3 H 24 3.776 3.950 -0.174 1
1 209 . 14 1 1 A 24 24 GLY C C 24 173.621 174.100 -0.479 1
1 210 . 14 1 1 A 25 25 ARG N N 25 122.678 119.934 2.744 1
1 211 . 14 1 1 A 25 25 ARG H H 25 8.079 7.821 0.258 1
1 212 . 14 1 1 A 25 25 ARG CA C 25 58.063 54.450 3.613 1
1 213 . 14 1 1 A 25 25 ARG HA H 25 4.096 4.862 -0.766 1
1 214 . 14 1 1 A 25 25 ARG CB C 25 31.628 33.383 -1.755 1
1 223 . 14 1 1 A 25 25 ARG C C 25 174.641 174.806 -0.165 1
1 224 . 14 1 1 A 26 26 HIS N N 26 121.510 124.087 -2.577 1
1 225 . 14 1 1 A 26 26 HIS H H 26 8.454 9.117 -0.663 1
1 226 . 14 1 1 A 26 26 HIS CA C 26 55.553 54.987 0.566 1
1 227 . 14 1 1 A 26 26 HIS HA H 26 5.166 5.319 -0.153 1
1 228 . 14 1 1 A 26 26 HIS CB C 26 32.066 31.349 0.717 1
1 235 . 14 1 1 A 26 26 HIS C C 26 174.732 174.802 -0.070 1
1 236 . 14 1 1 A 27 27 PHE N N 27 119.065 120.173 -1.108 1
1 237 . 14 1 1 A 27 27 PHE H H 27 9.035 8.803 0.232 1
1 238 . 14 1 1 A 27 27 PHE CA C 27 57.515 56.469 1.046 1
1 239 . 14 1 1 A 27 27 PHE HA H 27 4.724 4.882 -0.158 1
1 240 . 14 1 1 A 27 27 PHE CB C 27 43.276 43.877 -0.601 1
1 253 . 14 1 1 A 27 27 PHE C C 27 175.205 175.784 -0.579 1
1 254 . 14 1 1 A 28 28 THR CA C 28 62.856 63.603 -0.747 1
1 255 . 14 1 1 A 28 28 THR HA H 28 4.691 4.474 0.217 1
1 256 . 14 1 1 A 28 28 THR CB C 28 69.897 69.512 0.385 1
1 262 . 14 1 1 A 28 28 THR C C 28 174.714 174.584 0.130 1
1 263 . 14 1 1 A 29 29 LYS N N 29 118.993 121.353 -2.360 1
1 264 . 14 1 1 A 29 29 LYS H H 29 7.456 7.887 -0.431 1
1 265 . 14 1 1 A 29 29 LYS CA C 29 54.239 54.839 -0.600 1
1 266 . 14 1 1 A 29 29 LYS HA H 29 4.573 4.865 -0.292 1
1 267 . 14 1 1 A 29 29 LYS CB C 29 35.412 34.631 0.781 1
1 279 . 14 1 1 A 29 29 LYS C C 29 176.395 176.870 -0.475 1
1 280 . 14 1 1 A 30 30 SER CA C 30 60.921 61.596 -0.675 1
1 281 . 14 1 1 A 30 30 SER HA H 30 3.025 4.277 -1.252 1
1 282 . 14 1 1 A 30 30 SER CB C 30 61.703 62.553 -0.850 1
1 285 . 14 1 1 A 31 31 TYR CA C 31 60.807 61.453 -0.646 1
1 286 . 14 1 1 A 31 31 TYR HA H 31 4.101 4.233 -0.132 1
1 287 . 14 1 1 A 31 31 TYR CB C 31 38.408 38.567 -0.159 1
1 298 . 14 1 1 A 31 31 TYR C C 31 176.455 177.695 -1.240 1
1 299 . 14 1 1 A 32 32 ASN N N 32 114.304 117.744 -3.440 1
1 300 . 14 1 1 A 32 32 ASN H H 32 6.481 8.401 -1.920 1
1 301 . 14 1 1 A 32 32 ASN CA C 32 55.198 56.418 -1.220 1
1 302 . 14 1 1 A 32 32 ASN HA H 32 4.283 4.685 -0.402 1
1 303 . 14 1 1 A 32 32 ASN CB C 32 37.912 40.070 -2.158 1
1 309 . 14 1 1 A 32 32 ASN C C 32 177.633 177.703 -0.070 1
1 310 . 14 1 1 A 33 33 LEU N N 33 121.854 120.483 1.371 1
1 311 . 14 1 1 A 33 33 LEU H H 33 7.002 7.416 -0.414 1
1 312 . 14 1 1 A 33 33 LEU CA C 33 57.820 57.638 0.182 1
1 313 . 14 1 1 A 33 33 LEU HA H 33 2.922 3.140 -0.218 1
1 314 . 14 1 1 A 33 33 LEU CB C 33 40.350 41.345 -0.995 1
1 327 . 14 1 1 A 33 33 LEU C C 33 176.900 178.135 -1.235 1
1 328 . 14 1 1 A 34 34 LEU N N 34 120.140 116.900 3.240 1
1 329 . 14 1 1 A 34 34 LEU H H 34 7.795 7.870 -0.075 1
1 330 . 14 1 1 A 34 34 LEU CA C 34 58.506 58.033 0.473 1
1 331 . 14 1 1 A 34 34 LEU HA H 34 3.933 3.870 0.063 1
1 332 . 14 1 1 A 34 34 LEU CB C 34 41.523 41.001 0.522 1
1 345 . 14 1 1 A 34 34 LEU C C 34 179.914 179.046 0.868 1
1 346 . 14 1 1 A 35 35 ILE N N 35 116.693 119.624 -2.931 1
1 347 . 14 1 1 A 35 35 ILE H H 35 7.368 7.729 -0.361 1
1 348 . 14 1 1 A 35 35 ILE CA C 35 63.641 64.747 -1.106 1
1 349 . 14 1 1 A 35 35 ILE HA H 35 3.533 3.767 -0.234 1
1 350 . 14 1 1 A 35 35 ILE CB C 35 37.380 37.831 -0.451 1
1 363 . 14 1 1 A 35 35 ILE C C 35 178.700 177.116 1.584 1
1 364 . 14 1 1 A 36 36 HIS N N 36 119.039 121.678 -2.639 1
1 365 . 14 1 1 A 36 36 HIS H H 36 7.424 7.800 -0.376 1
1 366 . 14 1 1 A 36 36 HIS CA C 36 59.486 58.135 1.351 1
1 367 . 14 1 1 A 36 36 HIS HA H 36 4.282 4.415 -0.133 1
1 368 . 14 1 1 A 36 36 HIS CB C 36 28.563 30.689 -2.126 1
1 375 . 14 1 1 A 36 36 HIS C C 36 178.907 177.236 1.671 1
1 376 . 14 1 1 A 37 37 GLU N N 37 122.627 118.520 4.107 1
1 377 . 14 1 1 A 37 37 GLU H H 37 9.459 8.204 1.255 1
1 378 . 14 1 1 A 37 37 GLU CA C 37 61.473 59.886 1.587 1
1 379 . 14 1 1 A 37 37 GLU HA H 37 3.922 4.024 -0.102 1
1 380 . 14 1 1 A 37 37 GLU CB C 37 30.028 29.036 0.992 1
1 386 . 14 1 1 A 37 37 GLU C C 37 178.840 179.025 -0.185 1
1 387 . 14 1 1 A 38 38 ARG N N 38 116.143 118.527 -2.384 1
1 388 . 14 1 1 A 38 38 ARG H H 38 7.244 7.869 -0.625 1
1 389 . 14 1 1 A 38 38 ARG CA C 38 58.258 58.329 -0.071 1
1 390 . 14 1 1 A 38 38 ARG HA H 38 4.129 4.075 0.054 1
1 391 . 14 1 1 A 38 38 ARG CB C 38 30.054 29.428 0.626 1
1 400 . 14 1 1 A 38 38 ARG C C 38 177.863 177.334 0.529 1
1 401 . 14 1 1 A 39 39 THR N N 39 109.313 111.065 -1.752 1
1 402 . 14 1 1 A 39 39 THR H H 39 7.639 7.375 0.264 1
1 403 . 14 1 1 A 39 39 THR CA C 39 63.892 64.418 -0.526 1
1 404 . 14 1 1 A 39 39 THR HA H 39 4.075 4.030 0.045 1
1 405 . 14 1 1 A 39 39 THR CB C 39 69.337 68.517 0.820 1
1 411 . 14 1 1 A 39 39 THR C C 39 175.843 175.171 0.672 1
1 412 . 14 1 1 A 40 40 HIS N N 40 119.019 119.305 -0.286 1
1 413 . 14 1 1 A 40 40 HIS H H 40 7.046 7.160 -0.114 1
1 414 . 14 1 1 A 40 40 HIS CA C 40 55.942 54.067 1.875 1
1 415 . 14 1 1 A 40 40 HIS HA H 40 4.410 4.426 -0.016 1
1 416 . 14 1 1 A 40 40 HIS CB C 40 27.446 26.515 0.931 1
1 423 . 14 1 1 A 40 40 HIS C C 40 175.528 173.225 2.303 1
1 424 . 14 1 1 A 41 41 THR N N 41 111.847 110.248 1.599 1
1 425 . 14 1 1 A 41 41 THR H H 41 7.579 7.473 0.106 1
1 426 . 14 1 1 A 41 41 THR CA C 41 62.200 59.614 2.586 1
1 427 . 14 1 1 A 41 41 THR HA H 41 4.152 4.959 -0.807 1
1 428 . 14 1 1 A 41 41 THR CB C 41 69.440 71.907 -2.467 1
1 434 . 14 1 1 A 41 41 THR C C 41 174.484 173.324 1.160 1
1 435 . 14 1 1 A 42 42 ASP N N 42 122.207 123.568 -1.361 1
1 436 . 14 1 1 A 42 42 ASP H H 42 8.191 8.730 -0.539 1
1 437 . 14 1 1 A 42 42 ASP CA C 42 54.373 54.155 0.218 1
1 438 . 14 1 1 A 42 42 ASP HA H 42 4.524 4.513 0.011 1
1 439 . 14 1 1 A 42 42 ASP CB C 42 41.045 39.988 1.057 1
1 442 . 14 1 1 A 42 42 ASP C C 42 175.869 176.005 -0.136 1
1 443 . 14 1 1 A 43 43 GLU N N 43 120.562 125.161 -4.599 1
1 444 . 14 1 1 A 43 43 GLU H H 43 8.064 8.174 -0.110 1
1 445 . 14 1 1 A 43 43 GLU CA C 43 57.378 59.944 -2.566 1
1 446 . 14 1 1 A 43 43 GLU HA H 43 4.098 3.967 0.131 1
1 447 . 14 1 1 A 43 43 GLU CB C 43 30.262 29.467 0.795 1
1 453 . 14 1 1 A 43 43 GLU C C 43 176.313 177.135 -0.822 1
1 454 . 14 1 1 A 44 44 ARG N N 44 120.015 118.084 1.931 1
1 455 . 14 1 1 A 44 44 ARG H H 44 8.190 8.060 0.130 1
1 456 . 14 1 1 A 44 44 ARG CA C 44 53.266 54.817 -1.551 1
1 457 . 14 1 1 A 44 44 ARG HA H 44 4.533 4.626 -0.093 1
1 458 . 14 1 1 A 44 44 ARG CB C 44 30.702 30.516 0.186 1
1 467 . 14 1 1 A 44 44 ARG C C 44 173.360 176.314 -2.954 1
1 468 . 14 1 1 A 45 45 PRO CA C 45 63.459 65.144 -1.685 1
1 469 . 14 1 1 A 45 45 PRO HA H 45 4.298 4.323 -0.025 1
1 470 . 14 1 1 A 45 45 PRO CB C 45 32.219 31.563 0.656 1
1 479 . 14 1 1 A 45 45 PRO C C 45 176.492 175.985 0.507 1
1 480 . 14 1 1 A 46 46 TYR N N 46 119.184 118.368 0.816 1
1 481 . 14 1 1 A 46 46 TYR H H 46 7.840 7.700 0.140 1
1 482 . 14 1 1 A 46 46 TYR CA C 46 57.533 59.555 -2.022 1
1 483 . 14 1 1 A 46 46 TYR HA H 46 4.757 4.602 0.155 1
1 484 . 14 1 1 A 46 46 TYR CB C 46 38.646 39.086 -0.440 1
1 495 . 14 1 1 A 46 46 TYR C C 46 175.414 176.273 -0.859 1
1 496 . 14 1 1 A 47 47 THR N N 47 117.631 118.091 -0.460 1
1 497 . 14 1 1 A 47 47 THR H H 47 8.607 8.732 -0.125 1
1 498 . 14 1 1 A 47 47 THR CA C 47 60.593 61.744 -1.151 1
1 499 . 14 1 1 A 47 47 THR HA H 47 5.130 5.152 -0.022 1
1 500 . 14 1 1 A 47 47 THR CB C 47 71.076 71.801 -0.725 1
1 506 . 14 1 1 A 47 47 THR C C 47 173.697 173.395 0.302 1
1 507 . 14 1 1 A 48 48 CYS N N 48 127.009 126.117 0.892 1
1 508 . 14 1 1 A 48 48 CYS H H 48 9.072 9.089 -0.017 1
1 509 . 14 1 1 A 48 48 CYS CA C 48 60.153 59.140 1.013 1
1 510 . 14 1 1 A 48 48 CYS HA H 48 4.422 4.608 -0.186 1
1 511 . 14 1 1 A 48 48 CYS CB C 48 29.832 28.925 0.907 1
1 514 . 14 1 1 A 48 48 CYS C C 48 176.023 174.841 1.182 1
1 515 . 14 1 1 A 49 49 ASP N N 49 129.691 124.709 4.982 1
1 516 . 14 1 1 A 49 49 ASP H H 49 9.129 9.067 0.062 1
1 517 . 14 1 1 A 49 49 ASP CA C 49 55.499 55.533 -0.034 1
1 518 . 14 1 1 A 49 49 ASP HA H 49 4.353 4.658 -0.305 1
1 519 . 14 1 1 A 49 49 ASP CB C 49 39.656 41.898 -2.242 1
1 522 . 14 1 1 A 49 49 ASP C C 49 175.094 177.176 -2.082 1
1 523 . 14 1 1 A 50 50 ILE N N 50 121.649 116.341 5.308 1
1 524 . 14 1 1 A 50 50 ILE H H 50 8.661 7.649 1.012 1
1 525 . 14 1 1 A 50 50 ILE CA C 50 62.888 62.837 0.051 1
1 526 . 14 1 1 A 50 50 ILE HA H 50 3.837 4.183 -0.346 1
1 527 . 14 1 1 A 50 50 ILE CB C 50 38.652 38.677 -0.025 1
1 540 . 14 1 1 A 50 50 ILE C C 50 176.439 177.770 -1.331 1
1 541 . 14 1 1 A 51 51 CYS N N 51 116.341 119.022 -2.681 1
1 542 . 14 1 1 A 51 51 CYS H H 51 7.973 8.080 -0.107 1
1 543 . 14 1 1 A 51 51 CYS CA C 51 58.192 60.454 -2.262 1
1 544 . 14 1 1 A 51 51 CYS HA H 51 4.922 4.298 0.624 1
1 545 . 14 1 1 A 51 51 CYS CB C 51 32.086 28.254 3.832 1
1 548 . 14 1 1 A 51 51 CYS C C 51 175.814 175.640 0.174 1
1 549 . 14 1 1 A 52 52 HIS N N 52 116.961 119.136 -2.175 1
1 550 . 14 1 1 A 52 52 HIS H H 52 7.714 8.178 -0.464 1
1 551 . 14 1 1 A 52 52 HIS CA C 52 58.187 56.830 1.357 1
1 552 . 14 1 1 A 52 52 HIS HA H 52 4.521 4.282 0.239 1
1 553 . 14 1 1 A 52 52 HIS CB C 52 27.079 27.534 -0.455 1
1 560 . 14 1 1 A 52 52 HIS C C 52 174.215 174.479 -0.264 1
1 561 . 14 1 1 A 53 53 LYS N N 53 122.651 118.856 3.795 1
1 562 . 14 1 1 A 53 53 LYS H H 53 7.902 7.687 0.215 1
1 563 . 14 1 1 A 53 53 LYS CA C 53 58.205 55.993 2.212 1
1 564 . 14 1 1 A 53 53 LYS HA H 53 4.051 4.205 -0.154 1
1 565 . 14 1 1 A 53 53 LYS CB C 53 33.868 33.777 0.091 1
1 577 . 14 1 1 A 53 53 LYS C C 53 173.816 175.339 -1.523 1
1 578 . 14 1 1 A 54 54 ALA N N 54 124.589 120.600 3.989 1
1 579 . 14 1 1 A 54 54 ALA H H 54 7.885 8.063 -0.178 1
1 580 . 14 1 1 A 54 54 ALA CA C 54 50.573 50.264 0.309 1
1 581 . 14 1 1 A 54 54 ALA HA H 54 5.098 5.341 -0.243 1
1 582 . 14 1 1 A 54 54 ALA CB C 54 22.290 21.743 0.547 1
1 586 . 14 1 1 A 54 54 ALA C C 54 176.763 175.662 1.101 1
1 587 . 14 1 1 A 55 55 PHE N N 55 117.946 119.391 -1.445 1
1 588 . 14 1 1 A 55 55 PHE H H 55 9.044 9.069 -0.025 1
1 589 . 14 1 1 A 55 55 PHE CA C 55 57.320 56.118 1.202 1
1 590 . 14 1 1 A 55 55 PHE HA H 55 4.724 4.790 -0.066 1
1 591 . 14 1 1 A 55 55 PHE CB C 55 43.710 43.173 0.537 1
1 604 . 14 1 1 A 55 55 PHE C C 55 175.251 175.073 0.178 1
1 605 . 14 1 1 A 56 56 ARG N N 56 119.843 122.520 -2.677 1
1 606 . 14 1 1 A 56 56 ARG H H 56 9.587 8.666 0.921 1
1 607 . 14 1 1 A 56 56 ARG CA C 56 58.117 56.792 1.325 1
1 608 . 14 1 1 A 56 56 ARG HA H 56 4.603 3.981 0.622 1
1 609 . 14 1 1 A 56 56 ARG CB C 56 31.741 31.472 0.269 1
1 618 . 14 1 1 A 56 56 ARG C C 56 176.201 175.281 0.920 1
1 619 . 14 1 1 A 57 57 ARG N N 57 113.134 117.302 -4.168 1
1 620 . 14 1 1 A 57 57 ARG H H 57 7.273 7.354 -0.081 1
1 621 . 14 1 1 A 57 57 ARG CA C 57 53.978 54.357 -0.379 1
1 622 . 14 1 1 A 57 57 ARG HA H 57 4.650 4.620 0.030 1
1 623 . 14 1 1 A 57 57 ARG CB C 57 34.701 31.877 2.824 1
1 632 . 14 1 1 A 57 57 ARG C C 57 176.296 176.787 -0.491 1
1 633 . 14 1 1 A 58 58 GLN N N 58 124.070 121.957 2.113 1
1 634 . 14 1 1 A 58 58 GLN H H 58 8.583 8.937 -0.354 1
1 635 . 14 1 1 A 58 58 GLN CA C 58 59.036 58.458 0.578 1
1 636 . 14 1 1 A 58 58 GLN HA H 58 3.004 4.279 -1.275 1
1 637 . 14 1 1 A 58 58 GLN CB C 58 28.229 29.287 -1.058 1
1 646 . 14 1 1 A 58 58 GLN C C 58 177.925 178.096 -0.171 1
1 647 . 14 1 1 A 59 59 ASP CA C 59 56.406 57.079 -0.673 1
1 648 . 14 1 1 A 59 59 ASP HA H 59 4.046 4.321 -0.275 1
1 649 . 14 1 1 A 59 59 ASP CB C 59 38.248 41.721 -3.473 1
1 652 . 14 1 1 A 59 59 ASP C C 59 177.698 178.672 -0.974 1
1 653 . 14 1 1 A 60 60 HIS N N 60 119.173 118.675 0.498 1
1 654 . 14 1 1 A 60 60 HIS H H 60 6.954 8.161 -1.207 1
1 655 . 14 1 1 A 60 60 HIS CA C 60 56.843 59.218 -2.375 1
1 656 . 14 1 1 A 60 60 HIS HA H 60 4.432 4.370 0.062 1
1 657 . 14 1 1 A 60 60 HIS CB C 60 31.752 29.920 1.832 1
1 664 . 14 1 1 A 60 60 HIS C C 60 178.617 178.031 0.586 1
1 665 . 14 1 1 A 61 61 LEU N N 61 120.844 120.665 0.179 1
1 666 . 14 1 1 A 61 61 LEU H H 61 6.979 7.877 -0.898 1
1 667 . 14 1 1 A 61 61 LEU CA C 61 57.728 57.490 0.238 1
1 668 . 14 1 1 A 61 61 LEU HA H 61 3.145 3.262 -0.117 1
1 669 . 14 1 1 A 61 61 LEU CB C 61 40.153 41.234 -1.081 1
1 682 . 14 1 1 A 61 61 LEU C C 61 176.855 178.023 -1.168 1
1 683 . 14 1 1 A 62 62 ARG N N 62 120.225 119.301 0.924 1
1 684 . 14 1 1 A 62 62 ARG H H 62 8.012 8.399 -0.387 1
1 685 . 14 1 1 A 62 62 ARG CA C 62 59.526 59.885 -0.359 1
1 686 . 14 1 1 A 62 62 ARG HA H 62 3.724 3.753 -0.029 1
1 687 . 14 1 1 A 62 62 ARG CB C 62 29.388 30.160 -0.772 1
1 696 . 14 1 1 A 62 62 ARG C C 62 178.582 177.973 0.609 1
1 697 . 14 1 1 A 63 63 ASP N N 63 117.219 120.064 -2.845 1
1 698 . 14 1 1 A 63 63 ASP H H 63 7.823 8.075 -0.252 1
1 699 . 14 1 1 A 63 63 ASP CA C 63 56.694 57.071 -0.377 1
1 700 . 14 1 1 A 63 63 ASP HA H 63 4.401 4.282 0.119 1
1 701 . 14 1 1 A 63 63 ASP CB C 63 40.226 40.788 -0.562 1
1 704 . 14 1 1 A 63 63 ASP C C 63 178.560 178.414 0.146 1
1 705 . 14 1 1 A 64 64 HIS N N 64 119.185 119.944 -0.759 1
1 706 . 14 1 1 A 64 64 HIS H H 64 7.606 8.214 -0.608 1
1 707 . 14 1 1 A 64 64 HIS CA C 64 58.772 60.197 -1.425 1
1 708 . 14 1 1 A 64 64 HIS HA H 64 4.211 4.081 0.130 1
1 709 . 14 1 1 A 64 64 HIS CB C 64 28.533 30.145 -1.612 1
1 716 . 14 1 1 A 64 64 HIS C C 64 176.334 176.758 -0.424 1
1 717 . 14 1 1 A 65 65 ARG N N 65 116.490 117.609 -1.119 1
1 718 . 14 1 1 A 65 65 ARG H H 65 8.157 7.951 0.206 1
1 719 . 14 1 1 A 65 65 ARG CA C 65 59.666 58.948 0.718 1
1 720 . 14 1 1 A 65 65 ARG HA H 65 3.576 4.054 -0.478 1
1 721 . 14 1 1 A 65 65 ARG CB C 65 29.958 29.744 0.214 1
1 730 . 14 1 1 A 65 65 ARG C C 65 178.301 178.711 -0.410 1
1 731 . 14 1 1 A 66 66 TYR N N 66 117.286 118.266 -0.980 1
1 732 . 14 1 1 A 66 66 TYR H H 66 7.169 8.103 -0.934 1
1 733 . 14 1 1 A 66 66 TYR CA C 66 60.186 60.901 -0.715 1
1 734 . 14 1 1 A 66 66 TYR HA H 66 4.339 4.338 0.001 1
1 735 . 14 1 1 A 66 66 TYR CB C 66 37.960 37.948 0.012 1
1 746 . 14 1 1 A 66 66 TYR C C 66 178.191 179.016 -0.825 1
1 747 . 14 1 1 A 67 67 ILE N N 67 117.609 116.504 1.105 1
1 748 . 14 1 1 A 67 67 ILE H H 67 7.883 7.826 0.057 1
1 749 . 14 1 1 A 67 67 ILE CA C 67 63.440 64.001 -0.561 1
1 750 . 14 1 1 A 67 67 ILE HA H 67 3.836 3.849 -0.013 1
1 751 . 14 1 1 A 67 67 ILE CB C 67 37.482 37.196 0.286 1
1 764 . 14 1 1 A 67 67 ILE C C 67 177.511 176.317 1.194 1
1 765 . 14 1 1 A 68 68 HIS N N 68 116.764 121.734 -4.970 1
1 766 . 14 1 1 A 68 68 HIS H H 68 7.140 7.742 -0.602 1
1 767 . 14 1 1 A 68 68 HIS CA C 68 55.340 55.909 -0.569 1
1 768 . 14 1 1 A 68 68 HIS HA H 68 4.768 4.646 0.122 1
1 769 . 14 1 1 A 68 68 HIS CB C 68 28.687 30.559 -1.872 1
1 776 . 14 1 1 A 68 68 HIS C C 68 175.627 174.952 0.675 1
1 777 . 14 1 1 A 69 69 SER N N 69 114.870 118.896 -4.026 1
1 778 . 14 1 1 A 69 69 SER H H 69 7.731 8.595 -0.864 1
1 779 . 14 1 1 A 69 69 SER CA C 69 59.200 60.572 -1.372 1
1 780 . 14 1 1 A 69 69 SER HA H 69 4.379 4.205 0.174 1
1 781 . 14 1 1 A 69 69 SER CB C 69 63.765 63.530 0.235 1
1 784 . 14 1 1 A 69 69 SER C C 69 174.692 174.865 -0.173 1
1 785 . 14 1 1 A 70 70 LYS N N 70 121.978 125.835 -3.857 1
1 786 . 14 1 1 A 70 70 LYS H H 70 8.063 8.470 -0.407 1
1 787 . 14 1 1 A 70 70 LYS CA C 70 56.825 57.516 -0.691 1
1 788 . 14 1 1 A 70 70 LYS HA H 70 4.214 4.233 -0.019 1
1 789 . 14 1 1 A 70 70 LYS CB C 70 32.539 32.754 -0.215 1
1 801 . 14 1 1 A 70 70 LYS C C 70 176.806 176.628 0.178 1
1 802 . 14 1 1 A 71 71 GLU N N 71 120.177 122.155 -1.978 1
1 803 . 14 1 1 A 71 71 GLU H H 71 8.008 8.778 -0.770 1
1 804 . 14 1 1 A 71 71 GLU CA C 71 56.472 55.225 1.247 1
1 805 . 14 1 1 A 71 71 GLU HA H 71 4.191 4.913 -0.722 1
1 806 . 14 1 1 A 71 71 GLU CB C 71 29.335 32.023 -2.688 1
1 811 . 14 1 1 A 71 71 GLU C C 71 176.040 173.888 2.152 1
1 812 . 14 1 1 A 72 72 LYS N N 72 121.800 120.662 1.138 1
1 813 . 14 1 1 A 72 72 LYS H H 72 8.277 8.598 -0.321 1
1 814 . 14 1 1 A 72 72 LYS CA C 72 53.820 52.588 1.232 1
1 815 . 14 1 1 A 72 72 LYS HA H 72 4.391 4.792 -0.401 1
1 816 . 14 1 1 A 72 72 LYS CB C 72 32.139 32.771 -0.632 1
1 828 . 14 1 1 A 72 72 LYS C C 72 174.768 176.221 -1.453 1
1 829 . 14 1 1 A 73 73 PRO CA C 73 63.978 64.697 -0.719 1
1 830 . 14 1 1 A 73 73 PRO HA H 73 4.144 4.209 -0.065 1
1 831 . 14 1 1 A 73 73 PRO CB C 73 31.953 31.687 0.266 1
1 840 . 14 1 1 A 73 73 PRO C C 73 176.402 176.339 0.063 1
1 841 . 14 1 1 A 74 74 PHE N N 74 117.425 117.521 -0.096 1
1 842 . 14 1 1 A 74 74 PHE H H 74 7.686 7.431 0.255 1
1 843 . 14 1 1 A 74 74 PHE CA C 74 57.020 57.417 -0.397 1
1 844 . 14 1 1 A 74 74 PHE HA H 74 4.691 4.516 0.175 1
1 845 . 14 1 1 A 74 74 PHE CB C 74 39.403 37.532 1.871 1
1 856 . 14 1 1 A 74 74 PHE C C 74 174.442 174.841 -0.399 1
1 857 . 14 1 1 A 75 75 LYS N N 75 123.931 125.525 -1.594 1
1 858 . 14 1 1 A 75 75 LYS H H 75 8.590 8.493 0.097 1
1 859 . 14 1 1 A 75 75 LYS CA C 75 54.951 54.864 0.087 1
1 860 . 14 1 1 A 75 75 LYS HA H 75 5.021 5.055 -0.034 1
1 861 . 14 1 1 A 75 75 LYS CB C 75 35.286 35.834 -0.548 1
1 873 . 14 1 1 A 75 75 LYS C C 75 175.465 174.834 0.631 1
1 874 . 14 1 1 A 76 76 CYS N N 76 126.279 125.076 1.203 1
1 875 . 14 1 1 A 76 76 CYS H H 76 9.149 9.069 0.080 1
1 876 . 14 1 1 A 76 76 CYS CA C 76 59.553 59.815 -0.262 1
1 877 . 14 1 1 A 76 76 CYS HA H 76 4.462 4.484 -0.022 1
1 878 . 14 1 1 A 76 76 CYS CB C 76 29.772 28.920 0.852 1
1 881 . 14 1 1 A 76 76 CYS C C 76 177.367 174.911 2.456 1
1 882 . 14 1 1 A 77 77 GLN CA C 77 58.117 56.816 1.301 1
1 883 . 14 1 1 A 77 77 GLN HA H 77 4.130 4.402 -0.272 1
1 884 . 14 1 1 A 77 77 GLN CB C 77 28.479 29.388 -0.909 1
1 893 . 14 1 1 A 77 77 GLN C C 77 176.283 178.108 -1.825 1
1 894 . 14 1 1 A 78 78 GLU N N 78 120.320 119.463 0.857 1
1 895 . 14 1 1 A 78 78 GLU H H 78 8.682 8.170 0.512 1
1 896 . 14 1 1 A 78 78 GLU CA C 78 58.540 58.900 -0.360 1
1 897 . 14 1 1 A 78 78 GLU HA H 78 4.165 3.928 0.237 1
1 898 . 14 1 1 A 78 78 GLU CB C 78 29.469 28.714 0.755 1
1 904 . 14 1 1 A 78 78 GLU C C 78 177.275 178.355 -1.080 1
1 905 . 14 1 1 A 79 79 CYS N N 79 114.728 115.980 -1.252 1
1 906 . 14 1 1 A 79 79 CYS H H 79 8.018 7.665 0.353 1
1 907 . 14 1 1 A 79 79 CYS CA C 79 58.271 60.029 -1.758 1
1 908 . 14 1 1 A 79 79 CYS HA H 79 5.142 4.473 0.669 1
1 909 . 14 1 1 A 79 79 CYS CB C 79 32.339 28.952 3.387 1
1 912 . 14 1 1 A 79 79 CYS C C 79 176.280 175.361 0.919 1
1 913 . 14 1 1 A 80 80 GLY N N 80 113.675 110.614 3.061 1
1 914 . 14 1 1 A 80 80 GLY H H 80 8.133 8.244 -0.111 1
1 915 . 14 1 1 A 80 80 GLY CA C 80 46.206 46.856 -0.650 1
1 916 . 14 1 1 A 80 80 GLY HA2 H 80 4.213 3.974 0.239 1
1 917 . 14 1 1 A 80 80 GLY HA3 H 80 3.755 4.025 -0.270 1
1 918 . 14 1 1 A 80 80 GLY C C 80 173.619 174.114 -0.495 1
1 919 . 14 1 1 A 81 81 LYS N N 81 122.811 115.543 7.268 1
1 920 . 14 1 1 A 81 81 LYS H H 81 7.945 8.054 -0.109 1
1 921 . 14 1 1 A 81 81 LYS CA C 81 58.211 54.397 3.814 1
1 922 . 14 1 1 A 81 81 LYS HA H 81 3.947 4.889 -0.942 1
1 923 . 14 1 1 A 81 81 LYS CB C 81 33.921 34.472 -0.551 1
1 935 . 14 1 1 A 81 81 LYS C C 81 174.639 175.709 -1.070 1
1 936 . 14 1 1 A 82 82 GLY N N 82 108.366 107.449 0.917 1
1 937 . 14 1 1 A 82 82 GLY H H 82 7.936 8.492 -0.556 1
1 938 . 14 1 1 A 82 82 GLY CA C 82 44.048 46.468 -2.420 1
1 939 . 14 1 1 A 82 82 GLY HA2 H 82 4.847 3.969 0.878 1
1 940 . 14 1 1 A 82 82 GLY HA3 H 82 3.291 4.019 -0.728 1
1 941 . 14 1 1 A 82 82 GLY C C 82 172.166 173.301 -1.135 1
1 942 . 14 1 1 A 83 83 PHE N N 83 117.822 124.699 -6.877 1
1 943 . 14 1 1 A 83 83 PHE H H 83 8.697 8.371 0.326 1
1 944 . 14 1 1 A 83 83 PHE CA C 83 57.338 58.617 -1.279 1
1 945 . 14 1 1 A 83 83 PHE HA H 83 4.755 4.639 0.116 1
1 946 . 14 1 1 A 83 83 PHE CB C 83 43.462 39.484 3.978 1
1 959 . 14 1 1 A 83 83 PHE C C 83 175.424 175.857 -0.433 1
1 960 . 14 1 1 A 84 84 CYS CA C 84 60.706 60.535 0.171 1
1 961 . 14 1 1 A 84 84 CYS HA H 84 4.608 4.563 0.045 1
1 962 . 14 1 1 A 84 84 CYS CB C 84 28.990 29.601 -0.611 1
1 965 . 14 1 1 A 84 84 CYS C C 84 174.163 174.339 -0.176 1
1 966 . 14 1 1 A 85 85 GLN N N 85 114.620 119.334 -4.714 1
1 967 . 14 1 1 A 85 85 GLN H H 85 7.326 7.951 -0.625 1
1 968 . 14 1 1 A 85 85 GLN CA C 85 54.098 54.418 -0.320 1
1 969 . 14 1 1 A 85 85 GLN HA H 85 4.648 4.606 0.042 1
1 970 . 14 1 1 A 85 85 GLN CB C 85 32.066 30.898 1.168 1
1 979 . 14 1 1 A 85 85 GLN C C 85 175.230 175.258 -0.028 1
1 980 . 14 1 1 A 86 86 SER CA C 86 61.164 60.216 0.948 1
1 981 . 14 1 1 A 86 86 SER HA H 86 3.078 4.282 -1.204 1
1 982 . 14 1 1 A 86 86 SER CB C 86 61.738 63.802 -2.064 1
1 985 . 14 1 1 A 87 87 ARG CA C 87 58.886 59.507 -0.621 1
1 986 . 14 1 1 A 87 87 ARG HA H 87 4.049 3.946 0.103 1
1 987 . 14 1 1 A 87 87 ARG CB C 87 29.519 30.112 -0.593 1
1 996 . 14 1 1 A 87 87 ARG C C 87 177.520 178.957 -1.437 1
1 997 . 14 1 1 A 88 88 THR N N 88 112.500 114.130 -1.630 1
1 998 . 14 1 1 A 88 88 THR H H 88 6.796 7.764 -0.968 1
1 999 . 14 1 1 A 88 88 THR CA C 88 64.598 65.521 -0.923 1
1 1000 . 14 1 1 A 88 88 THR HA H 88 3.844 4.011 -0.167 1
1 1001 . 14 1 1 A 88 88 THR CB C 88 67.809 68.695 -0.886 1
1 1007 . 14 1 1 A 88 88 THR C C 88 177.343 176.576 0.767 1
1 1008 . 14 1 1 A 89 89 LEU N N 89 123.163 122.381 0.782 1
1 1009 . 14 1 1 A 89 89 LEU H H 89 6.898 7.711 -0.813 1
1 1010 . 14 1 1 A 89 89 LEU CA C 89 57.692 57.477 0.215 1
1 1011 . 14 1 1 A 89 89 LEU HA H 89 3.147 3.290 -0.143 1
1 1012 . 14 1 1 A 89 89 LEU CB C 89 40.133 41.164 -1.031 1
1 1025 . 14 1 1 A 89 89 LEU C C 89 176.886 178.195 -1.309 1
1 1026 . 14 1 1 A 90 90 ALA N N 90 120.747 120.762 -0.015 1
1 1027 . 14 1 1 A 90 90 ALA H H 90 7.837 8.006 -0.169 1
1 1028 . 14 1 1 A 90 90 ALA CA C 90 55.646 55.343 0.303 1
1 1029 . 14 1 1 A 90 90 ALA HA H 90 3.914 4.003 -0.089 1
1 1030 . 14 1 1 A 90 90 ALA CB C 90 17.722 18.522 -0.800 1
1 1034 . 14 1 1 A 90 90 ALA C C 90 180.692 180.067 0.625 1
1 1035 . 14 1 1 A 91 91 VAL N N 91 117.181 118.183 -1.002 1
1 1036 . 14 1 1 A 91 91 VAL H H 91 7.475 7.611 -0.136 1
1 1037 . 14 1 1 A 91 91 VAL CA C 91 65.880 65.712 0.168 1
1 1038 . 14 1 1 A 91 91 VAL HA H 91 3.662 3.917 -0.255 1
1 1039 . 14 1 1 A 91 91 VAL CB C 91 32.018 31.315 0.703 1
1 1049 . 14 1 1 A 91 91 VAL C C 91 178.708 177.701 1.007 1
1 1050 . 14 1 1 A 92 92 HIS N N 92 121.501 121.126 0.375 1
1 1051 . 14 1 1 A 92 92 HIS H H 92 7.625 7.755 -0.130 1
1 1052 . 14 1 1 A 92 92 HIS CA C 92 59.553 58.678 0.875 1
1 1053 . 14 1 1 A 92 92 HIS HA H 92 4.095 4.243 -0.148 1
1 1054 . 14 1 1 A 92 92 HIS CB C 92 28.040 30.270 -2.230 1
1 1061 . 14 1 1 A 92 92 HIS C C 92 176.518 177.036 -0.518 1
1 1062 . 14 1 1 A 93 93 LYS N N 93 116.162 118.016 -1.854 1
1 1063 . 14 1 1 A 93 93 LYS H H 93 8.372 7.990 0.382 1
1 1064 . 14 1 1 A 93 93 LYS CA C 93 60.253 57.570 2.683 1
1 1065 . 14 1 1 A 93 93 LYS HA H 93 3.732 4.129 -0.397 1
1 1066 . 14 1 1 A 93 93 LYS CB C 93 32.158 32.439 -0.281 1
1 1078 . 14 1 1 A 93 93 LYS C C 93 179.211 177.756 1.455 1
1 1079 . 14 1 1 A 94 94 THR N N 94 111.607 112.228 -0.621 1
1 1080 . 14 1 1 A 94 94 THR H H 94 7.434 7.789 -0.355 1
1 1081 . 14 1 1 A 94 94 THR CA C 94 65.106 62.812 2.294 1
1 1082 . 14 1 1 A 94 94 THR HA H 94 4.034 4.314 -0.280 1
1 1083 . 14 1 1 A 94 94 THR CB C 94 69.075 69.255 -0.180 1
1 1089 . 14 1 1 A 94 94 THR C C 94 176.406 175.917 0.489 1
1 1090 . 14 1 1 A 95 95 LEU N N 95 121.689 121.635 0.054 1
1 1091 . 14 1 1 A 95 95 LEU H H 95 7.725 7.583 0.142 1
1 1092 . 14 1 1 A 95 95 LEU CA C 95 56.680 57.059 -0.379 1
1 1093 . 14 1 1 A 95 95 LEU HA H 95 4.020 4.091 -0.071 1
1 1094 . 14 1 1 A 95 95 LEU CB C 95 41.186 42.038 -0.852 1
1 1107 . 14 1 1 A 95 95 LEU C C 95 178.956 178.750 0.206 1
1 1108 . 14 1 1 A 96 96 HIS N N 96 114.750 118.613 -3.863 1
1 1109 . 14 1 1 A 96 96 HIS H H 96 7.160 7.927 -0.767 1
1 1110 . 14 1 1 A 96 96 HIS CA C 96 55.206 59.262 -4.056 1
1 1111 . 14 1 1 A 96 96 HIS HA H 96 4.730 4.341 0.389 1
1 1112 . 14 1 1 A 96 96 HIS CB C 96 28.687 29.526 -0.839 1
1 1119 . 14 1 1 A 96 96 HIS C C 96 175.230 175.923 -0.693 1
1 1120 . 14 1 1 A 97 97 MET N N 97 118.984 118.219 0.765 1
1 1121 . 14 1 1 A 97 97 MET H H 97 7.626 7.899 -0.273 1
1 1122 . 14 1 1 A 97 97 MET CA C 97 55.995 55.535 0.460 1
1 1123 . 14 1 1 A 97 97 MET HA H 97 4.424 4.510 -0.086 1
1 1124 . 14 1 1 A 97 97 MET CB C 97 33.065 33.780 -0.715 1
1 1134 . 14 1 1 A 97 97 MET C C 97 176.174 175.760 0.414 1
1 1135 . 14 1 1 A 98 98 GLN N N 98 120.828 121.428 -0.600 1
1 1136 . 14 1 1 A 98 98 GLN H H 98 8.271 8.594 -0.323 1
1 1137 . 14 1 1 A 98 98 GLN CA C 98 55.951 55.595 0.356 1
1 1138 . 14 1 1 A 98 98 GLN HA H 98 4.382 4.778 -0.396 1
1 1139 . 14 1 1 A 98 98 GLN CB C 98 29.364 33.307 -3.943 1
1 1148 . 14 1 1 A 98 98 GLN C C 98 176.242 173.909 2.333 1
1 1149 . 14 1 1 A 99 99 THR N N 99 114.965 115.654 -0.689 1
1 1150 . 14 1 1 A 99 99 THR H H 99 8.200 8.723 -0.523 1
1 1151 . 14 1 1 A 99 99 THR CA C 99 61.773 60.197 1.576 1
1 1152 . 14 1 1 A 99 99 THR HA H 99 4.374 5.023 -0.649 1
1 1153 . 14 1 1 A 99 99 THR CB C 99 69.654 71.706 -2.052 1
1 1159 . 14 1 1 A 99 99 THR C C 99 174.491 173.082 1.409 1
1 1160 . 14 1 1 A 100 100 SER N N 100 118.047 120.377 -2.330 1
1 1161 . 14 1 1 A 100 100 SER H H 100 8.311 8.555 -0.244 1
1 1162 . 14 1 1 A 100 100 SER CA C 100 58.240 57.489 0.751 1
1 1163 . 14 1 1 A 100 100 SER HA H 100 4.493 4.452 0.041 1
1 1164 . 14 1 1 A 100 100 SER CB C 100 63.843 62.560 1.283 1
1 1167 . 14 1 1 A 100 100 SER C C 100 174.152 174.299 -0.147 1
1 1168 . 14 1 1 A 101 101 SER N N 101 118.812 123.037 -4.225 1
1 1169 . 14 1 1 A 101 101 SER H H 101 8.358 8.517 -0.159 1
1 1170 . 14 1 1 A 101 101 SER CA C 101 56.348 63.306 -6.958 1
1 1171 . 14 1 1 A 101 101 SER HA H 101 4.773 4.229 0.544 1
1 1172 . 14 1 1 A 101 101 SER CB C 101 63.554 61.618 1.936 1
1 1175 . 14 1 1 A 101 101 SER C C 101 172.898 174.114 -1.216 1
1 1176 . 14 1 1 A 102 102 PRO CA C 102 63.453 62.539 0.914 1
1 1177 . 14 1 1 A 102 102 PRO HA H 102 4.485 4.677 -0.192 1
1 1178 . 14 1 1 A 102 102 PRO CB C 102 32.126 33.312 -1.186 1
1 1187 . 14 1 1 A 102 102 PRO C C 102 177.181 175.274 1.907 1
1 1188 . 14 1 1 A 103 103 THR N N 103 114.257 115.763 -1.506 1
1 1189 . 14 1 1 A 103 103 THR H H 103 8.188 8.708 -0.520 1
1 1190 . 14 1 1 A 103 103 THR CA C 103 61.748 60.826 0.922 1
1 1191 . 14 1 1 A 103 103 THR HA H 103 4.273 4.746 -0.473 1
1 1192 . 14 1 1 A 103 103 THR CB C 103 69.833 70.491 -0.658 1
1 1198 . 14 1 1 A 103 103 THR C C 103 174.258 172.027 2.231 1
1 1199 . 14 1 1 A 104 104 ALA N N 104 126.872 126.546 0.326 1
1 1200 . 14 1 1 A 104 104 ALA H H 104 8.240 8.669 -0.429 1
1 1201 . 14 1 1 A 104 104 ALA CA C 104 52.369 50.287 2.082 1
1 1202 . 14 1 1 A 104 104 ALA HA H 104 4.316 5.412 -1.096 1
1 1203 . 14 1 1 A 104 104 ALA CB C 104 19.417 22.589 -3.172 1
1 1207 . 14 1 1 A 104 104 ALA C C 104 177.129 175.831 1.298 1
1 1208 . 14 1 1 A 105 105 ALA N N 105 124.353 121.366 2.987 1
1 1209 . 14 1 1 A 105 105 ALA H H 105 8.312 8.654 -0.342 1
1 1210 . 14 1 1 A 105 105 ALA CA C 105 52.408 51.591 0.817 1
1 1211 . 14 1 1 A 105 105 ALA HA H 105 4.327 4.943 -0.616 1
1 1212 . 14 1 1 A 105 105 ALA CB C 105 19.416 23.593 -4.177 1
1 1216 . 14 1 1 A 105 105 ALA C C 105 176.902 175.702 1.200 1
1 1 . 15 1 1 A 8 8 GLY CA C 8 45.171 44.712 0.459 1
1 2 . 15 1 1 A 8 8 GLY HA2 H 8 3.976 4.137 -0.161 1
1 3 . 15 1 1 A 8 8 GLY HA3 H 8 3.976 4.137 -0.161 1
1 4 . 15 1 1 A 8 8 GLY C C 8 173.956 173.385 0.571 1
1 5 . 15 1 1 A 9 9 ARG N N 9 120.445 123.318 -2.873 1
1 6 . 15 1 1 A 9 9 ARG H H 9 8.126 8.568 -0.442 1
1 7 . 15 1 1 A 9 9 ARG CA C 9 55.873 54.376 1.497 1
1 8 . 15 1 1 A 9 9 ARG HA H 9 4.318 5.043 -0.725 1
1 9 . 15 1 1 A 9 9 ARG CB C 9 30.899 33.619 -2.720 1
1 18 . 15 1 1 A 9 9 ARG C C 9 176.192 175.211 0.981 1
1 19 . 15 1 1 A 10 10 LEU N N 10 125.156 119.669 5.487 1
1 20 . 15 1 1 A 10 10 LEU H H 10 8.357 8.383 -0.026 1
1 21 . 15 1 1 A 10 10 LEU CA C 10 53.058 51.691 1.367 1
1 22 . 15 1 1 A 10 10 LEU HA H 10 4.589 4.911 -0.322 1
1 23 . 15 1 1 A 10 10 LEU CB C 10 41.599 42.965 -1.366 1
1 36 . 15 1 1 A 10 10 LEU C C 10 175.327 174.923 0.404 1
1 37 . 15 1 1 A 11 11 PRO CA C 11 63.064 62.553 0.511 1
1 38 . 15 1 1 A 11 11 PRO HA H 11 4.416 4.780 -0.364 1
1 39 . 15 1 1 A 11 11 PRO CB C 11 32.095 31.816 0.279 1
1 48 . 15 1 1 A 13 13 LYS CA C 13 56.353 54.948 1.405 1
1 49 . 15 1 1 A 13 13 LYS HA H 13 4.383 5.003 -0.620 1
1 50 . 15 1 1 A 13 13 LYS CB C 13 33.019 34.660 -1.641 1
1 62 . 15 1 1 A 13 13 LYS C C 13 176.694 175.111 1.583 1
1 63 . 15 1 1 A 14 14 THR N N 14 115.691 115.284 0.407 1
1 64 . 15 1 1 A 14 14 THR H H 14 8.140 8.845 -0.705 1
1 65 . 15 1 1 A 14 14 THR CA C 14 61.919 60.547 1.372 1
1 66 . 15 1 1 A 14 14 THR HA H 14 4.265 5.233 -0.968 1
1 67 . 15 1 1 A 14 14 THR CB C 14 69.860 71.023 -1.163 1
1 73 . 15 1 1 A 14 14 THR C C 14 174.261 174.241 0.020 1
1 74 . 15 1 1 A 15 15 LYS N N 15 124.645 124.642 0.003 1
1 75 . 15 1 1 A 15 15 LYS H H 15 8.323 8.562 -0.239 1
1 76 . 15 1 1 A 15 15 LYS CA C 15 56.226 57.224 -0.998 1
1 77 . 15 1 1 A 15 15 LYS HA H 15 4.278 4.032 0.246 1
1 78 . 15 1 1 A 15 15 LYS CB C 15 33.220 32.950 0.270 1
1 90 . 15 1 1 A 15 15 LYS C C 15 175.921 176.899 -0.978 1
1 91 . 15 1 1 A 16 16 LYS N N 16 123.830 122.672 1.158 1
1 92 . 15 1 1 A 16 16 LYS H H 16 8.332 8.559 -0.227 1
1 93 . 15 1 1 A 16 16 LYS CA C 16 55.966 55.755 0.211 1
1 94 . 15 1 1 A 16 16 LYS HA H 16 4.192 4.554 -0.362 1
1 95 . 15 1 1 A 16 16 LYS CB C 16 33.028 32.373 0.655 1
1 107 . 15 1 1 A 16 16 LYS C C 16 175.334 176.254 -0.920 1
1 108 . 15 1 1 A 17 17 GLU N N 17 121.077 119.536 1.541 1
1 109 . 15 1 1 A 17 17 GLU H H 17 7.931 7.605 0.326 1
1 110 . 15 1 1 A 17 17 GLU CA C 17 55.463 54.955 0.508 1
1 111 . 15 1 1 A 17 17 GLU HA H 17 4.300 4.378 -0.078 1
1 112 . 15 1 1 A 17 17 GLU CB C 17 31.984 31.034 0.950 1
1 118 . 15 1 1 A 17 17 GLU C C 17 174.646 175.409 -0.763 1
1 119 . 15 1 1 A 18 18 PHE N N 18 121.605 117.826 3.779 1
1 120 . 15 1 1 A 18 18 PHE H H 18 8.560 7.908 0.652 1
1 121 . 15 1 1 A 18 18 PHE CA C 18 56.963 55.209 1.754 1
1 122 . 15 1 1 A 18 18 PHE HA H 18 4.675 5.782 -1.107 1
1 123 . 15 1 1 A 18 18 PHE CB C 18 39.653 42.565 -2.912 1
1 134 . 15 1 1 A 18 18 PHE C C 18 173.933 174.291 -0.358 1
1 135 . 15 1 1 A 19 19 ILE N N 19 123.977 120.902 3.075 1
1 136 . 15 1 1 A 19 19 ILE H H 19 8.425 8.834 -0.409 1
1 137 . 15 1 1 A 19 19 ILE CA C 19 59.740 60.092 -0.352 1
1 138 . 15 1 1 A 19 19 ILE HA H 19 4.654 5.116 -0.462 1
1 139 . 15 1 1 A 19 19 ILE CB C 19 41.000 41.971 -0.971 1
1 152 . 15 1 1 A 19 19 ILE C C 19 175.584 174.811 0.773 1
1 153 . 15 1 1 A 20 20 CYS N N 20 129.741 127.351 2.390 1
1 154 . 15 1 1 A 20 20 CYS H H 20 9.224 9.136 0.088 1
1 155 . 15 1 1 A 20 20 CYS CA C 20 59.974 59.437 0.537 1
1 156 . 15 1 1 A 20 20 CYS HA H 20 4.827 4.458 0.369 1
1 157 . 15 1 1 A 20 20 CYS CB C 20 30.335 29.066 1.269 1
1 160 . 15 1 1 A 20 20 CYS C C 20 178.043 175.605 2.438 1
1 161 . 15 1 1 A 21 21 LYS N N 21 132.598 122.567 10.031 1
1 162 . 15 1 1 A 21 21 LYS H H 21 9.473 8.211 1.262 1
1 163 . 15 1 1 A 21 21 LYS CA C 21 58.099 56.667 1.432 1
1 164 . 15 1 1 A 21 21 LYS HA H 21 4.104 4.439 -0.335 1
1 165 . 15 1 1 A 21 21 LYS CB C 21 31.695 33.951 -2.256 1
1 177 . 15 1 1 A 21 21 LYS C C 21 175.765 178.178 -2.413 1
1 178 . 15 1 1 A 22 22 PHE N N 22 121.000 117.902 3.098 1
1 179 . 15 1 1 A 22 22 PHE H H 22 9.158 7.194 1.964 1
1 180 . 15 1 1 A 22 22 PHE CA C 22 59.743 59.789 -0.046 1
1 181 . 15 1 1 A 22 22 PHE HA H 22 4.394 4.178 0.216 1
1 182 . 15 1 1 A 22 22 PHE CB C 22 37.953 37.703 0.250 1
1 195 . 15 1 1 A 22 22 PHE C C 22 176.819 177.296 -0.477 1
1 196 . 15 1 1 A 23 23 CYS N N 23 115.955 113.481 2.474 1
1 197 . 15 1 1 A 23 23 CYS H H 23 8.410 7.972 0.438 1
1 198 . 15 1 1 A 23 23 CYS CA C 23 58.486 59.617 -1.131 1
1 199 . 15 1 1 A 23 23 CYS HA H 23 5.262 4.742 0.520 1
1 200 . 15 1 1 A 23 23 CYS CB C 23 33.092 30.128 2.964 1
1 203 . 15 1 1 A 23 23 CYS C C 23 176.770 175.977 0.793 1
1 204 . 15 1 1 A 24 24 GLY N N 24 112.575 110.649 1.926 1
1 205 . 15 1 1 A 24 24 GLY H H 24 8.092 8.351 -0.259 1
1 206 . 15 1 1 A 24 24 GLY CA C 24 46.302 45.981 0.321 1
1 207 . 15 1 1 A 24 24 GLY HA2 H 24 4.238 3.999 0.239 1
1 208 . 15 1 1 A 24 24 GLY HA3 H 24 3.776 4.007 -0.231 1
1 209 . 15 1 1 A 24 24 GLY C C 24 173.621 174.601 -0.980 1
1 210 . 15 1 1 A 25 25 ARG N N 25 122.678 122.028 0.650 1
1 211 . 15 1 1 A 25 25 ARG H H 25 8.079 7.569 0.510 1
1 212 . 15 1 1 A 25 25 ARG CA C 25 58.063 55.788 2.275 1
1 213 . 15 1 1 A 25 25 ARG HA H 25 4.096 4.401 -0.305 1
1 214 . 15 1 1 A 25 25 ARG CB C 25 31.628 31.419 0.209 1
1 223 . 15 1 1 A 25 25 ARG C C 25 174.641 175.702 -1.061 1
1 224 . 15 1 1 A 26 26 HIS N N 26 121.510 123.966 -2.456 1
1 225 . 15 1 1 A 26 26 HIS H H 26 8.454 8.772 -0.318 1
1 226 . 15 1 1 A 26 26 HIS CA C 26 55.553 54.474 1.079 1
1 227 . 15 1 1 A 26 26 HIS HA H 26 5.166 5.372 -0.206 1
1 228 . 15 1 1 A 26 26 HIS CB C 26 32.066 32.049 0.017 1
1 235 . 15 1 1 A 26 26 HIS C C 26 174.732 174.174 0.558 1
1 236 . 15 1 1 A 27 27 PHE N N 27 119.065 119.877 -0.812 1
1 237 . 15 1 1 A 27 27 PHE H H 27 9.035 9.047 -0.012 1
1 238 . 15 1 1 A 27 27 PHE CA C 27 57.515 56.458 1.057 1
1 239 . 15 1 1 A 27 27 PHE HA H 27 4.724 5.052 -0.328 1
1 240 . 15 1 1 A 27 27 PHE CB C 27 43.276 43.983 -0.707 1
1 253 . 15 1 1 A 27 27 PHE C C 27 175.205 175.708 -0.503 1
1 254 . 15 1 1 A 28 28 THR CA C 28 62.856 64.090 -1.234 1
1 255 . 15 1 1 A 28 28 THR HA H 28 4.691 4.393 0.298 1
1 256 . 15 1 1 A 28 28 THR CB C 28 69.897 69.650 0.247 1
1 262 . 15 1 1 A 28 28 THR C C 28 174.714 174.796 -0.082 1
1 263 . 15 1 1 A 29 29 LYS N N 29 118.993 120.936 -1.943 1
1 264 . 15 1 1 A 29 29 LYS H H 29 7.456 8.079 -0.623 1
1 265 . 15 1 1 A 29 29 LYS CA C 29 54.239 54.983 -0.744 1
1 266 . 15 1 1 A 29 29 LYS HA H 29 4.573 4.951 -0.378 1
1 267 . 15 1 1 A 29 29 LYS CB C 29 35.412 34.533 0.879 1
1 279 . 15 1 1 A 29 29 LYS C C 29 176.395 177.220 -0.825 1
1 280 . 15 1 1 A 30 30 SER CA C 30 60.921 62.220 -1.299 1
1 281 . 15 1 1 A 30 30 SER HA H 30 3.025 3.128 -0.103 1
1 282 . 15 1 1 A 30 30 SER CB C 30 61.703 62.722 -1.019 1
1 285 . 15 1 1 A 31 31 TYR CA C 31 60.807 61.021 -0.214 1
1 286 . 15 1 1 A 31 31 TYR HA H 31 4.101 4.167 -0.066 1
1 287 . 15 1 1 A 31 31 TYR CB C 31 38.408 38.587 -0.179 1
1 298 . 15 1 1 A 31 31 TYR C C 31 176.455 177.554 -1.099 1
1 299 . 15 1 1 A 32 32 ASN N N 32 114.304 118.012 -3.708 1
1 300 . 15 1 1 A 32 32 ASN H H 32 6.481 8.595 -2.114 1
1 301 . 15 1 1 A 32 32 ASN CA C 32 55.198 56.485 -1.287 1
1 302 . 15 1 1 A 32 32 ASN HA H 32 4.283 4.522 -0.239 1
1 303 . 15 1 1 A 32 32 ASN CB C 32 37.912 38.522 -0.610 1
1 309 . 15 1 1 A 32 32 ASN C C 32 177.633 178.102 -0.469 1
1 310 . 15 1 1 A 33 33 LEU N N 33 121.854 120.683 1.171 1
1 311 . 15 1 1 A 33 33 LEU H H 33 7.002 7.375 -0.373 1
1 312 . 15 1 1 A 33 33 LEU CA C 33 57.820 57.042 0.778 1
1 313 . 15 1 1 A 33 33 LEU HA H 33 2.922 2.513 0.409 1
1 314 . 15 1 1 A 33 33 LEU CB C 33 40.350 41.243 -0.893 1
1 327 . 15 1 1 A 33 33 LEU C C 33 176.900 177.971 -1.071 1
1 328 . 15 1 1 A 34 34 LEU N N 34 120.140 116.608 3.532 1
1 329 . 15 1 1 A 34 34 LEU H H 34 7.795 7.419 0.376 1
1 330 . 15 1 1 A 34 34 LEU CA C 34 58.506 57.874 0.632 1
1 331 . 15 1 1 A 34 34 LEU HA H 34 3.933 3.839 0.094 1
1 332 . 15 1 1 A 34 34 LEU CB C 34 41.523 41.124 0.399 1
1 345 . 15 1 1 A 34 34 LEU C C 34 179.914 178.970 0.944 1
1 346 . 15 1 1 A 35 35 ILE N N 35 116.693 120.864 -4.171 1
1 347 . 15 1 1 A 35 35 ILE H H 35 7.368 8.043 -0.675 1
1 348 . 15 1 1 A 35 35 ILE CA C 35 63.641 65.421 -1.780 1
1 349 . 15 1 1 A 35 35 ILE HA H 35 3.533 3.623 -0.090 1
1 350 . 15 1 1 A 35 35 ILE CB C 35 37.380 38.118 -0.738 1
1 363 . 15 1 1 A 35 35 ILE C C 35 178.700 177.967 0.733 1
1 364 . 15 1 1 A 36 36 HIS N N 36 119.039 119.311 -0.272 1
1 365 . 15 1 1 A 36 36 HIS H H 36 7.424 7.772 -0.348 1
1 366 . 15 1 1 A 36 36 HIS CA C 36 59.486 60.393 -0.907 1
1 367 . 15 1 1 A 36 36 HIS HA H 36 4.282 4.195 0.087 1
1 368 . 15 1 1 A 36 36 HIS CB C 36 28.563 29.959 -1.396 1
1 375 . 15 1 1 A 36 36 HIS C C 36 178.907 177.250 1.657 1
1 376 . 15 1 1 A 37 37 GLU N N 37 122.627 117.329 5.298 1
1 377 . 15 1 1 A 37 37 GLU H H 37 9.459 7.980 1.479 1
1 378 . 15 1 1 A 37 37 GLU CA C 37 61.473 59.958 1.515 1
1 379 . 15 1 1 A 37 37 GLU HA H 37 3.922 3.866 0.056 1
1 380 . 15 1 1 A 37 37 GLU CB C 37 30.028 29.288 0.740 1
1 386 . 15 1 1 A 37 37 GLU C C 37 178.840 179.218 -0.378 1
1 387 . 15 1 1 A 38 38 ARG N N 38 116.143 120.076 -3.933 1
1 388 . 15 1 1 A 38 38 ARG H H 38 7.244 7.603 -0.359 1
1 389 . 15 1 1 A 38 38 ARG CA C 38 58.258 59.157 -0.899 1
1 390 . 15 1 1 A 38 38 ARG HA H 38 4.129 4.008 0.121 1
1 391 . 15 1 1 A 38 38 ARG CB C 38 30.054 29.676 0.378 1
1 400 . 15 1 1 A 38 38 ARG C C 38 177.863 179.373 -1.510 1
1 401 . 15 1 1 A 39 39 THR N N 39 109.313 113.866 -4.553 1
1 402 . 15 1 1 A 39 39 THR H H 39 7.639 8.284 -0.645 1
1 403 . 15 1 1 A 39 39 THR CA C 39 63.892 64.228 -0.336 1
1 404 . 15 1 1 A 39 39 THR HA H 39 4.075 3.923 0.152 1
1 405 . 15 1 1 A 39 39 THR CB C 39 69.337 68.480 0.857 1
1 411 . 15 1 1 A 39 39 THR C C 39 175.843 175.385 0.458 1
1 412 . 15 1 1 A 40 40 HIS N N 40 119.019 116.573 2.446 1
1 413 . 15 1 1 A 40 40 HIS H H 40 7.046 7.437 -0.391 1
1 414 . 15 1 1 A 40 40 HIS CA C 40 55.942 57.347 -1.405 1
1 415 . 15 1 1 A 40 40 HIS HA H 40 4.410 4.342 0.068 1
1 416 . 15 1 1 A 40 40 HIS CB C 40 27.446 29.940 -2.494 1
1 423 . 15 1 1 A 40 40 HIS C C 40 175.528 175.226 0.302 1
1 424 . 15 1 1 A 41 41 THR N N 41 111.847 111.554 0.293 1
1 425 . 15 1 1 A 41 41 THR H H 41 7.579 7.561 0.018 1
1 426 . 15 1 1 A 41 41 THR CA C 41 62.200 62.744 -0.544 1
1 427 . 15 1 1 A 41 41 THR HA H 41 4.152 4.019 0.133 1
1 428 . 15 1 1 A 41 41 THR CB C 41 69.440 69.447 -0.007 1
1 434 . 15 1 1 A 41 41 THR C C 41 174.484 173.892 0.592 1
1 435 . 15 1 1 A 42 42 ASP N N 42 122.207 128.777 -6.570 1
1 436 . 15 1 1 A 42 42 ASP H H 42 8.191 8.432 -0.241 1
1 437 . 15 1 1 A 42 42 ASP CA C 42 54.373 53.179 1.194 1
1 438 . 15 1 1 A 42 42 ASP HA H 42 4.524 4.589 -0.065 1
1 439 . 15 1 1 A 42 42 ASP CB C 42 41.045 41.600 -0.555 1
1 442 . 15 1 1 A 42 42 ASP C C 42 175.869 175.699 0.170 1
1 443 . 15 1 1 A 43 43 GLU N N 43 120.562 120.941 -0.379 1
1 444 . 15 1 1 A 43 43 GLU H H 43 8.064 8.484 -0.420 1
1 445 . 15 1 1 A 43 43 GLU CA C 43 57.378 54.960 2.418 1
1 446 . 15 1 1 A 43 43 GLU HA H 43 4.098 4.463 -0.365 1
1 447 . 15 1 1 A 43 43 GLU CB C 43 30.262 30.223 0.039 1
1 453 . 15 1 1 A 43 43 GLU C C 43 176.313 176.185 0.128 1
1 454 . 15 1 1 A 44 44 ARG N N 44 120.015 120.087 -0.072 1
1 455 . 15 1 1 A 44 44 ARG H H 44 8.190 9.018 -0.828 1
1 456 . 15 1 1 A 44 44 ARG CA C 44 53.266 56.858 -3.592 1
1 457 . 15 1 1 A 44 44 ARG HA H 44 4.533 4.041 0.492 1
1 458 . 15 1 1 A 44 44 ARG CB C 44 30.702 28.934 1.768 1
1 467 . 15 1 1 A 44 44 ARG C C 44 173.360 176.951 -3.591 1
1 468 . 15 1 1 A 45 45 PRO CA C 45 63.459 65.710 -2.251 1
1 469 . 15 1 1 A 45 45 PRO HA H 45 4.298 4.272 0.026 1
1 470 . 15 1 1 A 45 45 PRO CB C 45 32.219 31.118 1.101 1
1 479 . 15 1 1 A 45 45 PRO C C 45 176.492 176.237 0.255 1
1 480 . 15 1 1 A 46 46 TYR N N 46 119.184 117.537 1.647 1
1 481 . 15 1 1 A 46 46 TYR H H 46 7.840 8.037 -0.197 1
1 482 . 15 1 1 A 46 46 TYR CA C 46 57.533 57.402 0.131 1
1 483 . 15 1 1 A 46 46 TYR HA H 46 4.757 4.694 0.063 1
1 484 . 15 1 1 A 46 46 TYR CB C 46 38.646 37.257 1.389 1
1 495 . 15 1 1 A 46 46 TYR C C 46 175.414 175.463 -0.049 1
1 496 . 15 1 1 A 47 47 THR N N 47 117.631 120.526 -2.895 1
1 497 . 15 1 1 A 47 47 THR H H 47 8.607 8.829 -0.222 1
1 498 . 15 1 1 A 47 47 THR CA C 47 60.593 61.577 -0.984 1
1 499 . 15 1 1 A 47 47 THR HA H 47 5.130 5.323 -0.193 1
1 500 . 15 1 1 A 47 47 THR CB C 47 71.076 70.275 0.801 1
1 506 . 15 1 1 A 47 47 THR C C 47 173.697 174.186 -0.489 1
1 507 . 15 1 1 A 48 48 CYS N N 48 127.009 126.297 0.712 1
1 508 . 15 1 1 A 48 48 CYS H H 48 9.072 8.961 0.111 1
1 509 . 15 1 1 A 48 48 CYS CA C 48 60.153 59.218 0.935 1
1 510 . 15 1 1 A 48 48 CYS HA H 48 4.422 4.661 -0.239 1
1 511 . 15 1 1 A 48 48 CYS CB C 48 29.832 28.869 0.963 1
1 514 . 15 1 1 A 48 48 CYS C C 48 176.023 175.237 0.786 1
1 515 . 15 1 1 A 49 49 ASP N N 49 129.691 123.805 5.886 1
1 516 . 15 1 1 A 49 49 ASP H H 49 9.129 9.060 0.069 1
1 517 . 15 1 1 A 49 49 ASP CA C 49 55.499 56.573 -1.074 1
1 518 . 15 1 1 A 49 49 ASP HA H 49 4.353 4.610 -0.257 1
1 519 . 15 1 1 A 49 49 ASP CB C 49 39.656 42.011 -2.355 1
1 522 . 15 1 1 A 49 49 ASP C C 49 175.094 176.529 -1.435 1
1 523 . 15 1 1 A 50 50 ILE N N 50 121.649 116.264 5.385 1
1 524 . 15 1 1 A 50 50 ILE H H 50 8.661 7.647 1.014 1
1 525 . 15 1 1 A 50 50 ILE CA C 50 62.888 62.938 -0.050 1
1 526 . 15 1 1 A 50 50 ILE HA H 50 3.837 4.195 -0.358 1
1 527 . 15 1 1 A 50 50 ILE CB C 50 38.652 38.850 -0.198 1
1 540 . 15 1 1 A 50 50 ILE C C 50 176.439 177.702 -1.263 1
1 541 . 15 1 1 A 51 51 CYS N N 51 116.341 118.537 -2.196 1
1 542 . 15 1 1 A 51 51 CYS H H 51 7.973 8.178 -0.205 1
1 543 . 15 1 1 A 51 51 CYS CA C 51 58.192 61.188 -2.996 1
1 544 . 15 1 1 A 51 51 CYS HA H 51 4.922 4.253 0.669 1
1 545 . 15 1 1 A 51 51 CYS CB C 51 32.086 28.351 3.735 1
1 548 . 15 1 1 A 51 51 CYS C C 51 175.814 175.563 0.251 1
1 549 . 15 1 1 A 52 52 HIS N N 52 116.961 119.874 -2.913 1
1 550 . 15 1 1 A 52 52 HIS H H 52 7.714 8.142 -0.428 1
1 551 . 15 1 1 A 52 52 HIS CA C 52 58.187 56.647 1.540 1
1 552 . 15 1 1 A 52 52 HIS HA H 52 4.521 4.270 0.251 1
1 553 . 15 1 1 A 52 52 HIS CB C 52 27.079 27.291 -0.212 1
1 560 . 15 1 1 A 52 52 HIS C C 52 174.215 174.280 -0.065 1
1 561 . 15 1 1 A 53 53 LYS N N 53 122.651 118.886 3.765 1
1 562 . 15 1 1 A 53 53 LYS H H 53 7.902 7.643 0.259 1
1 563 . 15 1 1 A 53 53 LYS CA C 53 58.205 54.967 3.238 1
1 564 . 15 1 1 A 53 53 LYS HA H 53 4.051 4.302 -0.251 1
1 565 . 15 1 1 A 53 53 LYS CB C 53 33.868 33.967 -0.099 1
1 577 . 15 1 1 A 53 53 LYS C C 53 173.816 175.575 -1.759 1
1 578 . 15 1 1 A 54 54 ALA N N 54 124.589 121.050 3.539 1
1 579 . 15 1 1 A 54 54 ALA H H 54 7.885 8.225 -0.340 1
1 580 . 15 1 1 A 54 54 ALA CA C 54 50.573 50.316 0.257 1
1 581 . 15 1 1 A 54 54 ALA HA H 54 5.098 5.350 -0.252 1
1 582 . 15 1 1 A 54 54 ALA CB C 54 22.290 21.277 1.013 1
1 586 . 15 1 1 A 54 54 ALA C C 54 176.763 175.678 1.085 1
1 587 . 15 1 1 A 55 55 PHE N N 55 117.946 119.855 -1.909 1
1 588 . 15 1 1 A 55 55 PHE H H 55 9.044 8.767 0.277 1
1 589 . 15 1 1 A 55 55 PHE CA C 55 57.320 56.771 0.549 1
1 590 . 15 1 1 A 55 55 PHE HA H 55 4.724 4.898 -0.174 1
1 591 . 15 1 1 A 55 55 PHE CB C 55 43.710 42.852 0.858 1
1 604 . 15 1 1 A 55 55 PHE C C 55 175.251 175.619 -0.368 1
1 605 . 15 1 1 A 56 56 ARG N N 56 119.843 118.812 1.031 1
1 606 . 15 1 1 A 56 56 ARG H H 56 9.587 8.502 1.085 1
1 607 . 15 1 1 A 56 56 ARG CA C 56 58.117 56.660 1.457 1
1 608 . 15 1 1 A 56 56 ARG HA H 56 4.603 4.531 0.072 1
1 609 . 15 1 1 A 56 56 ARG CB C 56 31.741 31.725 0.016 1
1 618 . 15 1 1 A 56 56 ARG C C 56 176.201 176.157 0.044 1
1 619 . 15 1 1 A 57 57 ARG N N 57 113.134 118.734 -5.600 1
1 620 . 15 1 1 A 57 57 ARG H H 57 7.273 7.629 -0.356 1
1 621 . 15 1 1 A 57 57 ARG CA C 57 53.978 54.567 -0.589 1
1 622 . 15 1 1 A 57 57 ARG HA H 57 4.650 4.504 0.146 1
1 623 . 15 1 1 A 57 57 ARG CB C 57 34.701 32.891 1.810 1
1 632 . 15 1 1 A 57 57 ARG C C 57 176.296 176.014 0.282 1
1 633 . 15 1 1 A 58 58 GLN N N 58 124.070 124.117 -0.047 1
1 634 . 15 1 1 A 58 58 GLN H H 58 8.583 8.985 -0.402 1
1 635 . 15 1 1 A 58 58 GLN CA C 58 59.036 58.863 0.173 1
1 636 . 15 1 1 A 58 58 GLN HA H 58 3.004 3.809 -0.805 1
1 637 . 15 1 1 A 58 58 GLN CB C 58 28.229 28.608 -0.379 1
1 646 . 15 1 1 A 58 58 GLN C C 58 177.925 177.090 0.835 1
1 647 . 15 1 1 A 59 59 ASP CA C 59 56.406 57.481 -1.075 1
1 648 . 15 1 1 A 59 59 ASP HA H 59 4.046 4.203 -0.157 1
1 649 . 15 1 1 A 59 59 ASP CB C 59 38.248 40.092 -1.844 1
1 652 . 15 1 1 A 59 59 ASP C C 59 177.698 178.792 -1.094 1
1 653 . 15 1 1 A 60 60 HIS N N 60 119.173 118.491 0.682 1
1 654 . 15 1 1 A 60 60 HIS H H 60 6.954 7.794 -0.840 1
1 655 . 15 1 1 A 60 60 HIS CA C 60 56.843 59.500 -2.657 1
1 656 . 15 1 1 A 60 60 HIS HA H 60 4.432 4.287 0.145 1
1 657 . 15 1 1 A 60 60 HIS CB C 60 31.752 29.797 1.955 1
1 664 . 15 1 1 A 60 60 HIS C C 60 178.617 177.392 1.225 1
1 665 . 15 1 1 A 61 61 LEU N N 61 120.844 120.777 0.067 1
1 666 . 15 1 1 A 61 61 LEU H H 61 6.979 7.617 -0.638 1
1 667 . 15 1 1 A 61 61 LEU CA C 61 57.728 57.760 -0.032 1
1 668 . 15 1 1 A 61 61 LEU HA H 61 3.145 3.147 -0.002 1
1 669 . 15 1 1 A 61 61 LEU CB C 61 40.153 41.101 -0.948 1
1 682 . 15 1 1 A 61 61 LEU C C 61 176.855 178.263 -1.408 1
1 683 . 15 1 1 A 62 62 ARG N N 62 120.225 119.255 0.970 1
1 684 . 15 1 1 A 62 62 ARG H H 62 8.012 8.507 -0.495 1
1 685 . 15 1 1 A 62 62 ARG CA C 62 59.526 59.733 -0.207 1
1 686 . 15 1 1 A 62 62 ARG HA H 62 3.724 3.859 -0.135 1
1 687 . 15 1 1 A 62 62 ARG CB C 62 29.388 29.968 -0.580 1
1 696 . 15 1 1 A 62 62 ARG C C 62 178.582 178.553 0.029 1
1 697 . 15 1 1 A 63 63 ASP N N 63 117.219 119.105 -1.886 1
1 698 . 15 1 1 A 63 63 ASP H H 63 7.823 7.758 0.065 1
1 699 . 15 1 1 A 63 63 ASP CA C 63 56.694 57.193 -0.499 1
1 700 . 15 1 1 A 63 63 ASP HA H 63 4.401 4.366 0.035 1
1 701 . 15 1 1 A 63 63 ASP CB C 63 40.226 40.682 -0.456 1
1 704 . 15 1 1 A 63 63 ASP C C 63 178.560 178.751 -0.191 1
1 705 . 15 1 1 A 64 64 HIS N N 64 119.185 120.165 -0.980 1
1 706 . 15 1 1 A 64 64 HIS H H 64 7.606 8.595 -0.989 1
1 707 . 15 1 1 A 64 64 HIS CA C 64 58.772 59.967 -1.195 1
1 708 . 15 1 1 A 64 64 HIS HA H 64 4.211 4.048 0.163 1
1 709 . 15 1 1 A 64 64 HIS CB C 64 28.533 30.002 -1.469 1
1 716 . 15 1 1 A 64 64 HIS C C 64 176.334 176.567 -0.233 1
1 717 . 15 1 1 A 65 65 ARG N N 65 116.490 117.317 -0.827 1
1 718 . 15 1 1 A 65 65 ARG H H 65 8.157 8.359 -0.202 1
1 719 . 15 1 1 A 65 65 ARG CA C 65 59.666 58.772 0.894 1
1 720 . 15 1 1 A 65 65 ARG HA H 65 3.576 3.971 -0.395 1
1 721 . 15 1 1 A 65 65 ARG CB C 65 29.958 29.771 0.187 1
1 730 . 15 1 1 A 65 65 ARG C C 65 178.301 178.793 -0.492 1
1 731 . 15 1 1 A 66 66 TYR N N 66 117.286 118.426 -1.140 1
1 732 . 15 1 1 A 66 66 TYR H H 66 7.169 8.239 -1.070 1
1 733 . 15 1 1 A 66 66 TYR CA C 66 60.186 60.843 -0.657 1
1 734 . 15 1 1 A 66 66 TYR HA H 66 4.339 4.264 0.075 1
1 735 . 15 1 1 A 66 66 TYR CB C 66 37.960 38.017 -0.057 1
1 746 . 15 1 1 A 66 66 TYR C C 66 178.191 178.677 -0.486 1
1 747 . 15 1 1 A 67 67 ILE N N 67 117.609 117.962 -0.353 1
1 748 . 15 1 1 A 67 67 ILE H H 67 7.883 7.921 -0.038 1
1 749 . 15 1 1 A 67 67 ILE CA C 67 63.440 64.158 -0.718 1
1 750 . 15 1 1 A 67 67 ILE HA H 67 3.836 3.753 0.083 1
1 751 . 15 1 1 A 67 67 ILE CB C 67 37.482 37.252 0.230 1
1 764 . 15 1 1 A 67 67 ILE C C 67 177.511 177.252 0.259 1
1 765 . 15 1 1 A 68 68 HIS N N 68 116.764 121.100 -4.336 1
1 766 . 15 1 1 A 68 68 HIS H H 68 7.140 6.926 0.214 1
1 767 . 15 1 1 A 68 68 HIS CA C 68 55.340 58.520 -3.180 1
1 768 . 15 1 1 A 68 68 HIS HA H 68 4.768 4.460 0.308 1
1 769 . 15 1 1 A 68 68 HIS CB C 68 28.687 30.767 -2.080 1
1 776 . 15 1 1 A 68 68 HIS C C 68 175.627 177.506 -1.879 1
1 777 . 15 1 1 A 69 69 SER N N 69 114.870 115.051 -0.181 1
1 778 . 15 1 1 A 69 69 SER H H 69 7.731 8.053 -0.322 1
1 779 . 15 1 1 A 69 69 SER CA C 69 59.200 61.730 -2.530 1
1 780 . 15 1 1 A 69 69 SER HA H 69 4.379 4.087 0.292 1
1 781 . 15 1 1 A 69 69 SER CB C 69 63.765 63.231 0.534 1
1 784 . 15 1 1 A 69 69 SER C C 69 174.692 174.821 -0.129 1
1 785 . 15 1 1 A 70 70 LYS N N 70 121.978 120.794 1.184 1
1 786 . 15 1 1 A 70 70 LYS H H 70 8.063 7.671 0.392 1
1 787 . 15 1 1 A 70 70 LYS CA C 70 56.825 55.417 1.408 1
1 788 . 15 1 1 A 70 70 LYS HA H 70 4.214 4.628 -0.414 1
1 789 . 15 1 1 A 70 70 LYS CB C 70 32.539 33.968 -1.429 1
1 801 . 15 1 1 A 70 70 LYS C C 70 176.806 175.680 1.126 1
1 802 . 15 1 1 A 71 71 GLU N N 71 120.177 126.363 -6.186 1
1 803 . 15 1 1 A 71 71 GLU H H 71 8.008 8.505 -0.497 1
1 804 . 15 1 1 A 71 71 GLU CA C 71 56.472 56.370 0.102 1
1 805 . 15 1 1 A 71 71 GLU HA H 71 4.191 4.429 -0.238 1
1 806 . 15 1 1 A 71 71 GLU CB C 71 29.335 30.249 -0.914 1
1 811 . 15 1 1 A 71 71 GLU C C 71 176.040 176.521 -0.481 1
1 812 . 15 1 1 A 72 72 LYS N N 72 121.800 124.054 -2.254 1
1 813 . 15 1 1 A 72 72 LYS H H 72 8.277 8.519 -0.242 1
1 814 . 15 1 1 A 72 72 LYS CA C 72 53.820 52.505 1.315 1
1 815 . 15 1 1 A 72 72 LYS HA H 72 4.391 4.653 -0.262 1
1 816 . 15 1 1 A 72 72 LYS CB C 72 32.139 33.706 -1.567 1
1 828 . 15 1 1 A 72 72 LYS C C 72 174.768 175.988 -1.220 1
1 829 . 15 1 1 A 73 73 PRO CA C 73 63.978 64.353 -0.375 1
1 830 . 15 1 1 A 73 73 PRO HA H 73 4.144 4.483 -0.339 1
1 831 . 15 1 1 A 73 73 PRO CB C 73 31.953 31.755 0.198 1
1 840 . 15 1 1 A 73 73 PRO C C 73 176.402 176.019 0.383 1
1 841 . 15 1 1 A 74 74 PHE N N 74 117.425 114.239 3.186 1
1 842 . 15 1 1 A 74 74 PHE H H 74 7.686 7.538 0.148 1
1 843 . 15 1 1 A 74 74 PHE CA C 74 57.020 55.510 1.510 1
1 844 . 15 1 1 A 74 74 PHE HA H 74 4.691 5.042 -0.351 1
1 845 . 15 1 1 A 74 74 PHE CB C 74 39.403 40.649 -1.246 1
1 856 . 15 1 1 A 74 74 PHE C C 74 174.442 174.115 0.327 1
1 857 . 15 1 1 A 75 75 LYS N N 75 123.931 124.609 -0.678 1
1 858 . 15 1 1 A 75 75 LYS H H 75 8.590 8.652 -0.062 1
1 859 . 15 1 1 A 75 75 LYS CA C 75 54.951 55.595 -0.644 1
1 860 . 15 1 1 A 75 75 LYS HA H 75 5.021 4.891 0.130 1
1 861 . 15 1 1 A 75 75 LYS CB C 75 35.286 36.023 -0.737 1
1 873 . 15 1 1 A 75 75 LYS C C 75 175.465 174.041 1.424 1
1 874 . 15 1 1 A 76 76 CYS N N 76 126.279 124.865 1.414 1
1 875 . 15 1 1 A 76 76 CYS H H 76 9.149 9.107 0.042 1
1 876 . 15 1 1 A 76 76 CYS CA C 76 59.553 58.732 0.821 1
1 877 . 15 1 1 A 76 76 CYS HA H 76 4.462 4.698 -0.236 1
1 878 . 15 1 1 A 76 76 CYS CB C 76 29.772 29.341 0.431 1
1 881 . 15 1 1 A 76 76 CYS C C 76 177.367 175.262 2.105 1
1 882 . 15 1 1 A 77 77 GLN CA C 77 58.117 57.994 0.123 1
1 883 . 15 1 1 A 77 77 GLN HA H 77 4.130 4.223 -0.093 1
1 884 . 15 1 1 A 77 77 GLN CB C 77 28.479 29.219 -0.740 1
1 893 . 15 1 1 A 77 77 GLN C C 77 176.283 178.142 -1.859 1
1 894 . 15 1 1 A 78 78 GLU N N 78 120.320 119.703 0.617 1
1 895 . 15 1 1 A 78 78 GLU H H 78 8.682 8.195 0.487 1
1 896 . 15 1 1 A 78 78 GLU CA C 78 58.540 59.023 -0.483 1
1 897 . 15 1 1 A 78 78 GLU HA H 78 4.165 4.039 0.126 1
1 898 . 15 1 1 A 78 78 GLU CB C 78 29.469 28.779 0.690 1
1 904 . 15 1 1 A 78 78 GLU C C 78 177.275 178.262 -0.987 1
1 905 . 15 1 1 A 79 79 CYS N N 79 114.728 114.749 -0.021 1
1 906 . 15 1 1 A 79 79 CYS H H 79 8.018 7.566 0.452 1
1 907 . 15 1 1 A 79 79 CYS CA C 79 58.271 59.680 -1.409 1
1 908 . 15 1 1 A 79 79 CYS HA H 79 5.142 4.637 0.505 1
1 909 . 15 1 1 A 79 79 CYS CB C 79 32.339 29.828 2.511 1
1 912 . 15 1 1 A 79 79 CYS C C 79 176.280 175.573 0.707 1
1 913 . 15 1 1 A 80 80 GLY N N 80 113.675 110.780 2.895 1
1 914 . 15 1 1 A 80 80 GLY H H 80 8.133 8.320 -0.187 1
1 915 . 15 1 1 A 80 80 GLY CA C 80 46.206 46.856 -0.650 1
1 916 . 15 1 1 A 80 80 GLY HA2 H 80 4.213 4.050 0.163 1
1 917 . 15 1 1 A 80 80 GLY HA3 H 80 3.755 4.103 -0.348 1
1 918 . 15 1 1 A 80 80 GLY C C 80 173.619 174.237 -0.618 1
1 919 . 15 1 1 A 81 81 LYS N N 81 122.811 115.539 7.272 1
1 920 . 15 1 1 A 81 81 LYS H H 81 7.945 7.987 -0.042 1
1 921 . 15 1 1 A 81 81 LYS CA C 81 58.211 54.473 3.738 1
1 922 . 15 1 1 A 81 81 LYS HA H 81 3.947 4.787 -0.840 1
1 923 . 15 1 1 A 81 81 LYS CB C 81 33.921 34.318 -0.397 1
1 935 . 15 1 1 A 81 81 LYS C C 81 174.639 175.585 -0.946 1
1 936 . 15 1 1 A 82 82 GLY N N 82 108.366 107.494 0.872 1
1 937 . 15 1 1 A 82 82 GLY H H 82 7.936 8.612 -0.676 1
1 938 . 15 1 1 A 82 82 GLY CA C 82 44.048 46.505 -2.457 1
1 939 . 15 1 1 A 82 82 GLY HA2 H 82 4.847 4.039 0.808 1
1 940 . 15 1 1 A 82 82 GLY HA3 H 82 3.291 4.105 -0.814 1
1 941 . 15 1 1 A 82 82 GLY C C 82 172.166 173.173 -1.007 1
1 942 . 15 1 1 A 83 83 PHE N N 83 117.822 124.831 -7.009 1
1 943 . 15 1 1 A 83 83 PHE H H 83 8.697 8.813 -0.116 1
1 944 . 15 1 1 A 83 83 PHE CA C 83 57.338 58.518 -1.180 1
1 945 . 15 1 1 A 83 83 PHE HA H 83 4.755 4.553 0.202 1
1 946 . 15 1 1 A 83 83 PHE CB C 83 43.462 38.877 4.585 1
1 959 . 15 1 1 A 83 83 PHE C C 83 175.424 177.069 -1.645 1
1 960 . 15 1 1 A 84 84 CYS CA C 84 60.706 61.477 -0.771 1
1 961 . 15 1 1 A 84 84 CYS HA H 84 4.608 4.123 0.485 1
1 962 . 15 1 1 A 84 84 CYS CB C 84 28.990 27.543 1.447 1
1 965 . 15 1 1 A 84 84 CYS C C 84 174.163 175.011 -0.848 1
1 966 . 15 1 1 A 85 85 GLN N N 85 114.620 119.883 -5.263 1
1 967 . 15 1 1 A 85 85 GLN H H 85 7.326 7.804 -0.478 1
1 968 . 15 1 1 A 85 85 GLN CA C 85 54.098 54.290 -0.192 1
1 969 . 15 1 1 A 85 85 GLN HA H 85 4.648 4.543 0.105 1
1 970 . 15 1 1 A 85 85 GLN CB C 85 32.066 30.927 1.139 1
1 979 . 15 1 1 A 85 85 GLN C C 85 175.230 175.437 -0.207 1
1 980 . 15 1 1 A 86 86 SER CA C 86 61.164 61.519 -0.355 1
1 981 . 15 1 1 A 86 86 SER HA H 86 3.078 4.298 -1.220 1
1 982 . 15 1 1 A 86 86 SER CB C 86 61.738 63.725 -1.987 1
1 985 . 15 1 1 A 87 87 ARG CA C 87 58.886 59.054 -0.168 1
1 986 . 15 1 1 A 87 87 ARG HA H 87 4.049 4.005 0.044 1
1 987 . 15 1 1 A 87 87 ARG CB C 87 29.519 30.060 -0.541 1
1 996 . 15 1 1 A 87 87 ARG C C 87 177.520 178.192 -0.672 1
1 997 . 15 1 1 A 88 88 THR N N 88 112.500 114.068 -1.568 1
1 998 . 15 1 1 A 88 88 THR H H 88 6.796 7.741 -0.945 1
1 999 . 15 1 1 A 88 88 THR CA C 88 64.598 65.587 -0.989 1
1 1000 . 15 1 1 A 88 88 THR HA H 88 3.844 4.046 -0.202 1
1 1001 . 15 1 1 A 88 88 THR CB C 88 67.809 68.799 -0.990 1
1 1007 . 15 1 1 A 88 88 THR C C 88 177.343 176.693 0.650 1
1 1008 . 15 1 1 A 89 89 LEU N N 89 123.163 122.482 0.681 1
1 1009 . 15 1 1 A 89 89 LEU H H 89 6.898 8.227 -1.329 1
1 1010 . 15 1 1 A 89 89 LEU CA C 89 57.692 57.604 0.088 1
1 1011 . 15 1 1 A 89 89 LEU HA H 89 3.147 3.453 -0.306 1
1 1012 . 15 1 1 A 89 89 LEU CB C 89 40.133 41.202 -1.069 1
1 1025 . 15 1 1 A 89 89 LEU C C 89 176.886 178.223 -1.337 1
1 1026 . 15 1 1 A 90 90 ALA N N 90 120.747 120.428 0.319 1
1 1027 . 15 1 1 A 90 90 ALA H H 90 7.837 7.814 0.023 1
1 1028 . 15 1 1 A 90 90 ALA CA C 90 55.646 55.440 0.206 1
1 1029 . 15 1 1 A 90 90 ALA HA H 90 3.914 4.008 -0.094 1
1 1030 . 15 1 1 A 90 90 ALA CB C 90 17.722 18.588 -0.866 1
1 1034 . 15 1 1 A 90 90 ALA C C 90 180.692 180.024 0.668 1
1 1035 . 15 1 1 A 91 91 VAL N N 91 117.181 118.457 -1.276 1
1 1036 . 15 1 1 A 91 91 VAL H H 91 7.475 7.875 -0.400 1
1 1037 . 15 1 1 A 91 91 VAL CA C 91 65.880 66.425 -0.545 1
1 1038 . 15 1 1 A 91 91 VAL HA H 91 3.662 3.716 -0.054 1
1 1039 . 15 1 1 A 91 91 VAL CB C 91 32.018 31.794 0.224 1
1 1049 . 15 1 1 A 91 91 VAL C C 91 178.708 178.054 0.654 1
1 1050 . 15 1 1 A 92 92 HIS N N 92 121.501 119.239 2.262 1
1 1051 . 15 1 1 A 92 92 HIS H H 92 7.625 8.204 -0.579 1
1 1052 . 15 1 1 A 92 92 HIS CA C 92 59.553 59.983 -0.430 1
1 1053 . 15 1 1 A 92 92 HIS HA H 92 4.095 4.081 0.014 1
1 1054 . 15 1 1 A 92 92 HIS CB C 92 28.040 30.124 -2.084 1
1 1061 . 15 1 1 A 92 92 HIS C C 92 176.518 176.681 -0.163 1
1 1062 . 15 1 1 A 93 93 LYS N N 93 116.162 117.922 -1.760 1
1 1063 . 15 1 1 A 93 93 LYS H H 93 8.372 7.682 0.690 1
1 1064 . 15 1 1 A 93 93 LYS CA C 93 60.253 59.725 0.528 1
1 1065 . 15 1 1 A 93 93 LYS HA H 93 3.732 3.940 -0.208 1
1 1066 . 15 1 1 A 93 93 LYS CB C 93 32.158 32.290 -0.132 1
1 1078 . 15 1 1 A 93 93 LYS C C 93 179.211 178.455 0.756 1
1 1079 . 15 1 1 A 94 94 THR N N 94 111.607 112.738 -1.131 1
1 1080 . 15 1 1 A 94 94 THR H H 94 7.434 8.210 -0.776 1
1 1081 . 15 1 1 A 94 94 THR CA C 94 65.106 66.031 -0.925 1
1 1082 . 15 1 1 A 94 94 THR HA H 94 4.034 4.026 0.008 1
1 1083 . 15 1 1 A 94 94 THR CB C 94 69.075 68.260 0.815 1
1 1089 . 15 1 1 A 94 94 THR C C 94 176.406 177.120 -0.714 1
1 1090 . 15 1 1 A 95 95 LEU N N 95 121.689 122.942 -1.253 1
1 1091 . 15 1 1 A 95 95 LEU H H 95 7.725 7.579 0.146 1
1 1092 . 15 1 1 A 95 95 LEU CA C 95 56.680 57.234 -0.554 1
1 1093 . 15 1 1 A 95 95 LEU HA H 95 4.020 3.954 0.066 1
1 1094 . 15 1 1 A 95 95 LEU CB C 95 41.186 41.462 -0.276 1
1 1107 . 15 1 1 A 95 95 LEU C C 95 178.956 177.682 1.274 1
1 1108 . 15 1 1 A 96 96 HIS N N 96 114.750 115.141 -0.391 1
1 1109 . 15 1 1 A 96 96 HIS H H 96 7.160 7.448 -0.288 1
1 1110 . 15 1 1 A 96 96 HIS CA C 96 55.206 54.770 0.436 1
1 1111 . 15 1 1 A 96 96 HIS HA H 96 4.730 4.639 0.091 1
1 1112 . 15 1 1 A 96 96 HIS CB C 96 28.687 28.025 0.662 1
1 1119 . 15 1 1 A 96 96 HIS C C 96 175.230 173.756 1.474 1
1 1120 . 15 1 1 A 97 97 MET N N 97 118.984 115.072 3.912 1
1 1121 . 15 1 1 A 97 97 MET H H 97 7.626 7.780 -0.154 1
1 1122 . 15 1 1 A 97 97 MET CA C 97 55.995 53.354 2.641 1
1 1123 . 15 1 1 A 97 97 MET HA H 97 4.424 5.255 -0.831 1
1 1124 . 15 1 1 A 97 97 MET CB C 97 33.065 34.739 -1.674 1
1 1134 . 15 1 1 A 97 97 MET C C 97 176.174 174.798 1.376 1
1 1135 . 15 1 1 A 98 98 GLN N N 98 120.828 120.782 0.046 1
1 1136 . 15 1 1 A 98 98 GLN H H 98 8.271 8.804 -0.533 1
1 1137 . 15 1 1 A 98 98 GLN CA C 98 55.951 54.930 1.021 1
1 1138 . 15 1 1 A 98 98 GLN HA H 98 4.382 4.974 -0.592 1
1 1139 . 15 1 1 A 98 98 GLN CB C 98 29.364 33.261 -3.897 1
1 1148 . 15 1 1 A 98 98 GLN C C 98 176.242 174.419 1.823 1
1 1149 . 15 1 1 A 99 99 THR N N 99 114.965 112.670 2.295 1
1 1150 . 15 1 1 A 99 99 THR H H 99 8.200 8.567 -0.367 1
1 1151 . 15 1 1 A 99 99 THR CA C 99 61.773 59.873 1.900 1
1 1152 . 15 1 1 A 99 99 THR HA H 99 4.374 5.217 -0.843 1
1 1153 . 15 1 1 A 99 99 THR CB C 99 69.654 72.702 -3.048 1
1 1159 . 15 1 1 A 99 99 THR C C 99 174.491 172.876 1.615 1
1 1160 . 15 1 1 A 100 100 SER N N 100 118.047 116.093 1.954 1
1 1161 . 15 1 1 A 100 100 SER H H 100 8.311 8.794 -0.483 1
1 1162 . 15 1 1 A 100 100 SER CA C 100 58.240 57.615 0.625 1
1 1163 . 15 1 1 A 100 100 SER HA H 100 4.493 5.008 -0.515 1
1 1164 . 15 1 1 A 100 100 SER CB C 100 63.843 67.641 -3.798 1
1 1167 . 15 1 1 A 100 100 SER C C 100 174.152 172.529 1.623 1
1 1168 . 15 1 1 A 101 101 SER N N 101 118.812 118.461 0.351 1
1 1169 . 15 1 1 A 101 101 SER H H 101 8.358 8.685 -0.327 1
1 1170 . 15 1 1 A 101 101 SER CA C 101 56.348 55.945 0.403 1
1 1171 . 15 1 1 A 101 101 SER HA H 101 4.773 5.082 -0.309 1
1 1172 . 15 1 1 A 101 101 SER CB C 101 63.554 65.668 -2.114 1
1 1175 . 15 1 1 A 101 101 SER C C 101 172.898 173.392 -0.494 1
1 1176 . 15 1 1 A 102 102 PRO CA C 102 63.453 65.232 -1.779 1
1 1177 . 15 1 1 A 102 102 PRO HA H 102 4.485 4.394 0.091 1
1 1178 . 15 1 1 A 102 102 PRO CB C 102 32.126 31.851 0.275 1
1 1187 . 15 1 1 A 102 102 PRO C C 102 177.181 177.874 -0.693 1
1 1188 . 15 1 1 A 103 103 THR N N 103 114.257 110.259 3.998 1
1 1189 . 15 1 1 A 103 103 THR H H 103 8.188 8.040 0.148 1
1 1190 . 15 1 1 A 103 103 THR CA C 103 61.748 62.963 -1.215 1
1 1191 . 15 1 1 A 103 103 THR HA H 103 4.273 4.004 0.269 1
1 1192 . 15 1 1 A 103 103 THR CB C 103 69.833 66.622 3.211 1
1 1198 . 15 1 1 A 103 103 THR C C 103 174.258 173.347 0.911 1
1 1199 . 15 1 1 A 104 104 ALA N N 104 126.872 123.527 3.345 1
1 1200 . 15 1 1 A 104 104 ALA H H 104 8.240 7.525 0.715 1
1 1201 . 15 1 1 A 104 104 ALA CA C 104 52.369 50.648 1.721 1
1 1202 . 15 1 1 A 104 104 ALA HA H 104 4.316 4.780 -0.464 1
1 1203 . 15 1 1 A 104 104 ALA CB C 104 19.417 22.620 -3.203 1
1 1207 . 15 1 1 A 104 104 ALA C C 104 177.129 175.829 1.300 1
1 1208 . 15 1 1 A 105 105 ALA N N 105 124.353 119.704 4.649 1
1 1209 . 15 1 1 A 105 105 ALA H H 105 8.312 8.510 -0.198 1
1 1210 . 15 1 1 A 105 105 ALA CA C 105 52.408 53.011 -0.603 1
1 1211 . 15 1 1 A 105 105 ALA HA H 105 4.327 3.929 0.398 1
1 1212 . 15 1 1 A 105 105 ALA CB C 105 19.416 17.665 1.751 1
1 1216 . 15 1 1 A 105 105 ALA C C 105 176.902 176.106 0.796 1
1 1 . 16 1 1 A 8 8 GLY CA C 8 45.171 45.974 -0.803 1
1 2 . 16 1 1 A 8 8 GLY HA2 H 8 3.976 4.209 -0.233 1
1 3 . 16 1 1 A 8 8 GLY HA3 H 8 3.976 4.209 -0.233 1
1 4 . 16 1 1 A 8 8 GLY C C 8 173.956 172.069 1.887 1
1 5 . 16 1 1 A 9 9 ARG N N 9 120.445 121.761 -1.316 1
1 6 . 16 1 1 A 9 9 ARG H H 9 8.126 9.020 -0.894 1
1 7 . 16 1 1 A 9 9 ARG CA C 9 55.873 53.975 1.898 1
1 8 . 16 1 1 A 9 9 ARG HA H 9 4.318 5.154 -0.836 1
1 9 . 16 1 1 A 9 9 ARG CB C 9 30.899 33.935 -3.036 1
1 18 . 16 1 1 A 9 9 ARG C C 9 176.192 175.198 0.994 1
1 19 . 16 1 1 A 10 10 LEU N N 10 125.156 116.646 8.510 1
1 20 . 16 1 1 A 10 10 LEU H H 10 8.357 8.728 -0.371 1
1 21 . 16 1 1 A 10 10 LEU CA C 10 53.058 50.983 2.075 1
1 22 . 16 1 1 A 10 10 LEU HA H 10 4.589 5.047 -0.458 1
1 23 . 16 1 1 A 10 10 LEU CB C 10 41.599 44.766 -3.167 1
1 36 . 16 1 1 A 10 10 LEU C C 10 175.327 174.096 1.231 1
1 37 . 16 1 1 A 11 11 PRO CA C 11 63.064 62.714 0.350 1
1 38 . 16 1 1 A 11 11 PRO HA H 11 4.416 4.588 -0.172 1
1 39 . 16 1 1 A 11 11 PRO CB C 11 32.095 31.937 0.158 1
1 48 . 16 1 1 A 13 13 LYS CA C 13 56.353 54.764 1.589 1
1 49 . 16 1 1 A 13 13 LYS HA H 13 4.383 5.068 -0.685 1
1 50 . 16 1 1 A 13 13 LYS CB C 13 33.019 35.074 -2.055 1
1 62 . 16 1 1 A 13 13 LYS C C 13 176.694 174.715 1.979 1
1 63 . 16 1 1 A 14 14 THR N N 14 115.691 120.989 -5.298 1
1 64 . 16 1 1 A 14 14 THR H H 14 8.140 8.789 -0.649 1
1 65 . 16 1 1 A 14 14 THR CA C 14 61.919 60.232 1.687 1
1 66 . 16 1 1 A 14 14 THR HA H 14 4.265 5.093 -0.828 1
1 67 . 16 1 1 A 14 14 THR CB C 14 69.860 71.352 -1.492 1
1 73 . 16 1 1 A 14 14 THR C C 14 174.261 173.559 0.702 1
1 74 . 16 1 1 A 15 15 LYS N N 15 124.645 124.623 0.022 1
1 75 . 16 1 1 A 15 15 LYS H H 15 8.323 8.779 -0.456 1
1 76 . 16 1 1 A 15 15 LYS CA C 15 56.226 55.533 0.693 1
1 77 . 16 1 1 A 15 15 LYS HA H 15 4.278 4.834 -0.556 1
1 78 . 16 1 1 A 15 15 LYS CB C 15 33.220 33.879 -0.659 1
1 90 . 16 1 1 A 15 15 LYS C C 15 175.921 175.801 0.120 1
1 91 . 16 1 1 A 16 16 LYS N N 16 123.830 120.396 3.434 1
1 92 . 16 1 1 A 16 16 LYS H H 16 8.332 8.598 -0.266 1
1 93 . 16 1 1 A 16 16 LYS CA C 16 55.966 54.096 1.870 1
1 94 . 16 1 1 A 16 16 LYS HA H 16 4.192 4.868 -0.676 1
1 95 . 16 1 1 A 16 16 LYS CB C 16 33.028 36.502 -3.474 1
1 107 . 16 1 1 A 16 16 LYS C C 16 175.334 175.047 0.287 1
1 108 . 16 1 1 A 17 17 GLU N N 17 121.077 119.074 2.003 1
1 109 . 16 1 1 A 17 17 GLU H H 17 7.931 8.277 -0.346 1
1 110 . 16 1 1 A 17 17 GLU CA C 17 55.463 54.578 0.885 1
1 111 . 16 1 1 A 17 17 GLU HA H 17 4.300 4.681 -0.381 1
1 112 . 16 1 1 A 17 17 GLU CB C 17 31.984 33.215 -1.231 1
1 118 . 16 1 1 A 17 17 GLU C C 17 174.646 174.908 -0.262 1
1 119 . 16 1 1 A 18 18 PHE N N 18 121.605 118.347 3.258 1
1 120 . 16 1 1 A 18 18 PHE H H 18 8.560 8.921 -0.361 1
1 121 . 16 1 1 A 18 18 PHE CA C 18 56.963 57.080 -0.117 1
1 122 . 16 1 1 A 18 18 PHE HA H 18 4.675 5.112 -0.437 1
1 123 . 16 1 1 A 18 18 PHE CB C 18 39.653 41.278 -1.625 1
1 134 . 16 1 1 A 18 18 PHE C C 18 173.933 175.469 -1.536 1
1 135 . 16 1 1 A 19 19 ILE N N 19 123.977 119.558 4.419 1
1 136 . 16 1 1 A 19 19 ILE H H 19 8.425 8.794 -0.369 1
1 137 . 16 1 1 A 19 19 ILE CA C 19 59.740 59.482 0.258 1
1 138 . 16 1 1 A 19 19 ILE HA H 19 4.654 4.954 -0.300 1
1 139 . 16 1 1 A 19 19 ILE CB C 19 41.000 41.636 -0.636 1
1 152 . 16 1 1 A 19 19 ILE C C 19 175.584 174.970 0.614 1
1 153 . 16 1 1 A 20 20 CYS N N 20 129.741 127.280 2.461 1
1 154 . 16 1 1 A 20 20 CYS H H 20 9.224 9.159 0.065 1
1 155 . 16 1 1 A 20 20 CYS CA C 20 59.974 59.355 0.619 1
1 156 . 16 1 1 A 20 20 CYS HA H 20 4.827 4.475 0.352 1
1 157 . 16 1 1 A 20 20 CYS CB C 20 30.335 28.796 1.539 1
1 160 . 16 1 1 A 20 20 CYS C C 20 178.043 175.462 2.581 1
1 161 . 16 1 1 A 21 21 LYS N N 21 132.598 122.170 10.428 1
1 162 . 16 1 1 A 21 21 LYS H H 21 9.473 8.265 1.208 1
1 163 . 16 1 1 A 21 21 LYS CA C 21 58.099 56.549 1.550 1
1 164 . 16 1 1 A 21 21 LYS HA H 21 4.104 4.541 -0.437 1
1 165 . 16 1 1 A 21 21 LYS CB C 21 31.695 34.301 -2.606 1
1 177 . 16 1 1 A 21 21 LYS C C 21 175.765 177.750 -1.985 1
1 178 . 16 1 1 A 22 22 PHE N N 22 121.000 117.468 3.532 1
1 179 . 16 1 1 A 22 22 PHE H H 22 9.158 7.777 1.381 1
1 180 . 16 1 1 A 22 22 PHE CA C 22 59.743 60.339 -0.596 1
1 181 . 16 1 1 A 22 22 PHE HA H 22 4.394 4.136 0.258 1
1 182 . 16 1 1 A 22 22 PHE CB C 22 37.953 39.269 -1.316 1
1 195 . 16 1 1 A 22 22 PHE C C 22 176.819 176.835 -0.016 1
1 196 . 16 1 1 A 23 23 CYS N N 23 115.955 113.660 2.295 1
1 197 . 16 1 1 A 23 23 CYS H H 23 8.410 7.850 0.560 1
1 198 . 16 1 1 A 23 23 CYS CA C 23 58.486 59.534 -1.048 1
1 199 . 16 1 1 A 23 23 CYS HA H 23 5.262 4.739 0.523 1
1 200 . 16 1 1 A 23 23 CYS CB C 23 33.092 30.344 2.748 1
1 203 . 16 1 1 A 23 23 CYS C C 23 176.770 175.887 0.883 1
1 204 . 16 1 1 A 24 24 GLY N N 24 112.575 111.117 1.458 1
1 205 . 16 1 1 A 24 24 GLY H H 24 8.092 8.232 -0.140 1
1 206 . 16 1 1 A 24 24 GLY CA C 24 46.302 46.414 -0.112 1
1 207 . 16 1 1 A 24 24 GLY HA2 H 24 4.238 3.979 0.259 1
1 208 . 16 1 1 A 24 24 GLY HA3 H 24 3.776 3.998 -0.222 1
1 209 . 16 1 1 A 24 24 GLY C C 24 173.621 174.577 -0.956 1
1 210 . 16 1 1 A 25 25 ARG N N 25 122.678 120.357 2.321 1
1 211 . 16 1 1 A 25 25 ARG H H 25 8.079 7.828 0.251 1
1 212 . 16 1 1 A 25 25 ARG CA C 25 58.063 54.865 3.198 1
1 213 . 16 1 1 A 25 25 ARG HA H 25 4.096 4.833 -0.737 1
1 214 . 16 1 1 A 25 25 ARG CB C 25 31.628 32.398 -0.770 1
1 223 . 16 1 1 A 25 25 ARG C C 25 174.641 175.172 -0.531 1
1 224 . 16 1 1 A 26 26 HIS N N 26 121.510 123.752 -2.242 1
1 225 . 16 1 1 A 26 26 HIS H H 26 8.454 9.031 -0.577 1
1 226 . 16 1 1 A 26 26 HIS CA C 26 55.553 54.936 0.617 1
1 227 . 16 1 1 A 26 26 HIS HA H 26 5.166 5.445 -0.279 1
1 228 . 16 1 1 A 26 26 HIS CB C 26 32.066 32.285 -0.219 1
1 235 . 16 1 1 A 26 26 HIS C C 26 174.732 174.504 0.228 1
1 236 . 16 1 1 A 27 27 PHE N N 27 119.065 119.576 -0.511 1
1 237 . 16 1 1 A 27 27 PHE H H 27 9.035 8.505 0.530 1
1 238 . 16 1 1 A 27 27 PHE CA C 27 57.515 56.469 1.046 1
1 239 . 16 1 1 A 27 27 PHE HA H 27 4.724 4.896 -0.172 1
1 240 . 16 1 1 A 27 27 PHE CB C 27 43.276 43.720 -0.444 1
1 253 . 16 1 1 A 27 27 PHE C C 27 175.205 175.860 -0.655 1
1 254 . 16 1 1 A 28 28 THR CA C 28 62.856 64.222 -1.366 1
1 255 . 16 1 1 A 28 28 THR HA H 28 4.691 4.358 0.333 1
1 256 . 16 1 1 A 28 28 THR CB C 28 69.897 69.011 0.886 1
1 262 . 16 1 1 A 28 28 THR C C 28 174.714 175.108 -0.394 1
1 263 . 16 1 1 A 29 29 LYS N N 29 118.993 120.831 -1.838 1
1 264 . 16 1 1 A 29 29 LYS H H 29 7.456 7.892 -0.436 1
1 265 . 16 1 1 A 29 29 LYS CA C 29 54.239 54.958 -0.719 1
1 266 . 16 1 1 A 29 29 LYS HA H 29 4.573 4.668 -0.095 1
1 267 . 16 1 1 A 29 29 LYS CB C 29 35.412 33.322 2.090 1
1 279 . 16 1 1 A 29 29 LYS C C 29 176.395 177.202 -0.807 1
1 280 . 16 1 1 A 30 30 SER CA C 30 60.921 60.419 0.502 1
1 281 . 16 1 1 A 30 30 SER HA H 30 3.025 4.621 -1.596 1
1 282 . 16 1 1 A 30 30 SER CB C 30 61.703 63.631 -1.928 1
1 285 . 16 1 1 A 31 31 TYR CA C 31 60.807 60.139 0.668 1
1 286 . 16 1 1 A 31 31 TYR HA H 31 4.101 4.367 -0.266 1
1 287 . 16 1 1 A 31 31 TYR CB C 31 38.408 38.186 0.222 1
1 298 . 16 1 1 A 31 31 TYR C C 31 176.455 178.435 -1.980 1
1 299 . 16 1 1 A 32 32 ASN N N 32 114.304 119.981 -5.677 1
1 300 . 16 1 1 A 32 32 ASN H H 32 6.481 7.413 -0.932 1
1 301 . 16 1 1 A 32 32 ASN CA C 32 55.198 56.035 -0.837 1
1 302 . 16 1 1 A 32 32 ASN HA H 32 4.283 4.039 0.244 1
1 303 . 16 1 1 A 32 32 ASN CB C 32 37.912 37.803 0.109 1
1 309 . 16 1 1 A 32 32 ASN C C 32 177.633 177.718 -0.085 1
1 310 . 16 1 1 A 33 33 LEU N N 33 121.854 121.369 0.485 1
1 311 . 16 1 1 A 33 33 LEU H H 33 7.002 7.837 -0.835 1
1 312 . 16 1 1 A 33 33 LEU CA C 33 57.820 57.993 -0.173 1
1 313 . 16 1 1 A 33 33 LEU HA H 33 2.922 2.786 0.136 1
1 314 . 16 1 1 A 33 33 LEU CB C 33 40.350 41.309 -0.959 1
1 327 . 16 1 1 A 33 33 LEU C C 33 176.900 177.993 -1.093 1
1 328 . 16 1 1 A 34 34 LEU N N 34 120.140 115.934 4.206 1
1 329 . 16 1 1 A 34 34 LEU H H 34 7.795 7.920 -0.125 1
1 330 . 16 1 1 A 34 34 LEU CA C 34 58.506 57.912 0.594 1
1 331 . 16 1 1 A 34 34 LEU HA H 34 3.933 3.965 -0.032 1
1 332 . 16 1 1 A 34 34 LEU CB C 34 41.523 41.578 -0.055 1
1 345 . 16 1 1 A 34 34 LEU C C 34 179.914 178.983 0.931 1
1 346 . 16 1 1 A 35 35 ILE N N 35 116.693 119.440 -2.747 1
1 347 . 16 1 1 A 35 35 ILE H H 35 7.368 7.953 -0.585 1
1 348 . 16 1 1 A 35 35 ILE CA C 35 63.641 64.302 -0.661 1
1 349 . 16 1 1 A 35 35 ILE HA H 35 3.533 3.813 -0.280 1
1 350 . 16 1 1 A 35 35 ILE CB C 35 37.380 37.541 -0.161 1
1 363 . 16 1 1 A 35 35 ILE C C 35 178.700 177.395 1.305 1
1 364 . 16 1 1 A 36 36 HIS N N 36 119.039 121.529 -2.490 1
1 365 . 16 1 1 A 36 36 HIS H H 36 7.424 8.238 -0.814 1
1 366 . 16 1 1 A 36 36 HIS CA C 36 59.486 58.614 0.872 1
1 367 . 16 1 1 A 36 36 HIS HA H 36 4.282 4.328 -0.046 1
1 368 . 16 1 1 A 36 36 HIS CB C 36 28.563 30.270 -1.707 1
1 375 . 16 1 1 A 36 36 HIS C C 36 178.907 177.301 1.606 1
1 376 . 16 1 1 A 37 37 GLU N N 37 122.627 118.643 3.984 1
1 377 . 16 1 1 A 37 37 GLU H H 37 9.459 8.853 0.606 1
1 378 . 16 1 1 A 37 37 GLU CA C 37 61.473 60.029 1.444 1
1 379 . 16 1 1 A 37 37 GLU HA H 37 3.922 3.910 0.012 1
1 380 . 16 1 1 A 37 37 GLU CB C 37 30.028 29.359 0.669 1
1 386 . 16 1 1 A 37 37 GLU C C 37 178.840 178.802 0.038 1
1 387 . 16 1 1 A 38 38 ARG N N 38 116.143 118.074 -1.931 1
1 388 . 16 1 1 A 38 38 ARG H H 38 7.244 7.846 -0.602 1
1 389 . 16 1 1 A 38 38 ARG CA C 38 58.258 58.394 -0.136 1
1 390 . 16 1 1 A 38 38 ARG HA H 38 4.129 4.091 0.038 1
1 391 . 16 1 1 A 38 38 ARG CB C 38 30.054 29.495 0.559 1
1 400 . 16 1 1 A 38 38 ARG C C 38 177.863 177.205 0.658 1
1 401 . 16 1 1 A 39 39 THR N N 39 109.313 110.802 -1.489 1
1 402 . 16 1 1 A 39 39 THR H H 39 7.639 8.027 -0.388 1
1 403 . 16 1 1 A 39 39 THR CA C 39 63.892 64.529 -0.637 1
1 404 . 16 1 1 A 39 39 THR HA H 39 4.075 4.046 0.029 1
1 405 . 16 1 1 A 39 39 THR CB C 39 69.337 68.585 0.752 1
1 411 . 16 1 1 A 39 39 THR C C 39 175.843 175.070 0.773 1
1 412 . 16 1 1 A 40 40 HIS N N 40 119.019 119.642 -0.623 1
1 413 . 16 1 1 A 40 40 HIS H H 40 7.046 7.862 -0.816 1
1 414 . 16 1 1 A 40 40 HIS CA C 40 55.942 53.974 1.968 1
1 415 . 16 1 1 A 40 40 HIS HA H 40 4.410 4.378 0.032 1
1 416 . 16 1 1 A 40 40 HIS CB C 40 27.446 26.540 0.906 1
1 423 . 16 1 1 A 40 40 HIS C C 40 175.528 173.219 2.309 1
1 424 . 16 1 1 A 41 41 THR N N 41 111.847 110.614 1.233 1
1 425 . 16 1 1 A 41 41 THR H H 41 7.579 7.342 0.237 1
1 426 . 16 1 1 A 41 41 THR CA C 41 62.200 60.383 1.817 1
1 427 . 16 1 1 A 41 41 THR HA H 41 4.152 4.778 -0.626 1
1 428 . 16 1 1 A 41 41 THR CB C 41 69.440 71.259 -1.819 1
1 434 . 16 1 1 A 41 41 THR C C 41 174.484 173.816 0.668 1
1 435 . 16 1 1 A 42 42 ASP N N 42 122.207 124.760 -2.553 1
1 436 . 16 1 1 A 42 42 ASP H H 42 8.191 8.637 -0.446 1
1 437 . 16 1 1 A 42 42 ASP CA C 42 54.373 53.784 0.589 1
1 438 . 16 1 1 A 42 42 ASP HA H 42 4.524 4.978 -0.454 1
1 439 . 16 1 1 A 42 42 ASP CB C 42 41.045 41.154 -0.109 1
1 442 . 16 1 1 A 42 42 ASP C C 42 175.869 175.988 -0.119 1
1 443 . 16 1 1 A 43 43 GLU N N 43 120.562 120.196 0.366 1
1 444 . 16 1 1 A 43 43 GLU H H 43 8.064 7.653 0.411 1
1 445 . 16 1 1 A 43 43 GLU CA C 43 57.378 56.324 1.054 1
1 446 . 16 1 1 A 43 43 GLU HA H 43 4.098 4.323 -0.225 1
1 447 . 16 1 1 A 43 43 GLU CB C 43 30.262 30.508 -0.246 1
1 453 . 16 1 1 A 43 43 GLU C C 43 176.313 175.934 0.379 1
1 454 . 16 1 1 A 44 44 ARG N N 44 120.015 125.717 -5.702 1
1 455 . 16 1 1 A 44 44 ARG H H 44 8.190 8.652 -0.462 1
1 456 . 16 1 1 A 44 44 ARG CA C 44 53.266 54.235 -0.969 1
1 457 . 16 1 1 A 44 44 ARG HA H 44 4.533 4.492 0.041 1
1 458 . 16 1 1 A 44 44 ARG CB C 44 30.702 30.400 0.302 1
1 467 . 16 1 1 A 44 44 ARG C C 44 173.360 176.674 -3.314 1
1 468 . 16 1 1 A 45 45 PRO CA C 45 63.459 65.267 -1.808 1
1 469 . 16 1 1 A 45 45 PRO HA H 45 4.298 4.360 -0.062 1
1 470 . 16 1 1 A 45 45 PRO CB C 45 32.219 31.571 0.648 1
1 479 . 16 1 1 A 45 45 PRO C C 45 176.492 176.031 0.461 1
1 480 . 16 1 1 A 46 46 TYR N N 46 119.184 118.922 0.262 1
1 481 . 16 1 1 A 46 46 TYR H H 46 7.840 7.695 0.145 1
1 482 . 16 1 1 A 46 46 TYR CA C 46 57.533 59.745 -2.212 1
1 483 . 16 1 1 A 46 46 TYR HA H 46 4.757 4.572 0.185 1
1 484 . 16 1 1 A 46 46 TYR CB C 46 38.646 39.272 -0.626 1
1 495 . 16 1 1 A 46 46 TYR C C 46 175.414 176.237 -0.823 1
1 496 . 16 1 1 A 47 47 THR N N 47 117.631 118.053 -0.422 1
1 497 . 16 1 1 A 47 47 THR H H 47 8.607 8.743 -0.136 1
1 498 . 16 1 1 A 47 47 THR CA C 47 60.593 61.482 -0.889 1
1 499 . 16 1 1 A 47 47 THR HA H 47 5.130 5.249 -0.119 1
1 500 . 16 1 1 A 47 47 THR CB C 47 71.076 71.968 -0.892 1
1 506 . 16 1 1 A 47 47 THR C C 47 173.697 173.597 0.100 1
1 507 . 16 1 1 A 48 48 CYS N N 48 127.009 126.293 0.716 1
1 508 . 16 1 1 A 48 48 CYS H H 48 9.072 8.918 0.154 1
1 509 . 16 1 1 A 48 48 CYS CA C 48 60.153 59.193 0.960 1
1 510 . 16 1 1 A 48 48 CYS HA H 48 4.422 4.597 -0.175 1
1 511 . 16 1 1 A 48 48 CYS CB C 48 29.832 28.851 0.981 1
1 514 . 16 1 1 A 48 48 CYS C C 48 176.023 174.818 1.205 1
1 515 . 16 1 1 A 49 49 ASP N N 49 129.691 122.644 7.047 1
1 516 . 16 1 1 A 49 49 ASP H H 49 9.129 9.089 0.040 1
1 517 . 16 1 1 A 49 49 ASP CA C 49 55.499 55.115 0.384 1
1 518 . 16 1 1 A 49 49 ASP HA H 49 4.353 4.789 -0.436 1
1 519 . 16 1 1 A 49 49 ASP CB C 49 39.656 42.561 -2.905 1
1 522 . 16 1 1 A 49 49 ASP C C 49 175.094 176.239 -1.145 1
1 523 . 16 1 1 A 50 50 ILE N N 50 121.649 116.340 5.309 1
1 524 . 16 1 1 A 50 50 ILE H H 50 8.661 7.451 1.210 1
1 525 . 16 1 1 A 50 50 ILE CA C 50 62.888 62.687 0.201 1
1 526 . 16 1 1 A 50 50 ILE HA H 50 3.837 3.879 -0.042 1
1 527 . 16 1 1 A 50 50 ILE CB C 50 38.652 38.270 0.382 1
1 540 . 16 1 1 A 50 50 ILE C C 50 176.439 177.573 -1.134 1
1 541 . 16 1 1 A 51 51 CYS N N 51 116.341 117.213 -0.872 1
1 542 . 16 1 1 A 51 51 CYS H H 51 7.973 7.744 0.229 1
1 543 . 16 1 1 A 51 51 CYS CA C 51 58.192 59.913 -1.721 1
1 544 . 16 1 1 A 51 51 CYS HA H 51 4.922 4.420 0.502 1
1 545 . 16 1 1 A 51 51 CYS CB C 51 32.086 28.110 3.976 1
1 548 . 16 1 1 A 51 51 CYS C C 51 175.814 174.961 0.853 1
1 549 . 16 1 1 A 52 52 HIS N N 52 116.961 115.413 1.548 1
1 550 . 16 1 1 A 52 52 HIS H H 52 7.714 7.933 -0.219 1
1 551 . 16 1 1 A 52 52 HIS CA C 52 58.187 56.538 1.649 1
1 552 . 16 1 1 A 52 52 HIS HA H 52 4.521 4.223 0.298 1
1 553 . 16 1 1 A 52 52 HIS CB C 52 27.079 26.772 0.307 1
1 560 . 16 1 1 A 52 52 HIS C C 52 174.215 174.409 -0.194 1
1 561 . 16 1 1 A 53 53 LYS N N 53 122.651 118.645 4.006 1
1 562 . 16 1 1 A 53 53 LYS H H 53 7.902 7.653 0.249 1
1 563 . 16 1 1 A 53 53 LYS CA C 53 58.205 55.882 2.323 1
1 564 . 16 1 1 A 53 53 LYS HA H 53 4.051 4.155 -0.104 1
1 565 . 16 1 1 A 53 53 LYS CB C 53 33.868 33.176 0.692 1
1 577 . 16 1 1 A 53 53 LYS C C 53 173.816 176.169 -2.353 1
1 578 . 16 1 1 A 54 54 ALA N N 54 124.589 124.136 0.453 1
1 579 . 16 1 1 A 54 54 ALA H H 54 7.885 8.394 -0.509 1
1 580 . 16 1 1 A 54 54 ALA CA C 54 50.573 50.706 -0.133 1
1 581 . 16 1 1 A 54 54 ALA HA H 54 5.098 5.512 -0.414 1
1 582 . 16 1 1 A 54 54 ALA CB C 54 22.290 21.174 1.116 1
1 586 . 16 1 1 A 54 54 ALA C C 54 176.763 176.531 0.232 1
1 587 . 16 1 1 A 55 55 PHE N N 55 117.946 117.650 0.296 1
1 588 . 16 1 1 A 55 55 PHE H H 55 9.044 8.936 0.108 1
1 589 . 16 1 1 A 55 55 PHE CA C 55 57.320 56.665 0.655 1
1 590 . 16 1 1 A 55 55 PHE HA H 55 4.724 4.941 -0.217 1
1 591 . 16 1 1 A 55 55 PHE CB C 55 43.710 43.928 -0.218 1
1 604 . 16 1 1 A 55 55 PHE C C 55 175.251 175.146 0.105 1
1 605 . 16 1 1 A 56 56 ARG N N 56 119.843 119.011 0.832 1
1 606 . 16 1 1 A 56 56 ARG H H 56 9.587 8.604 0.983 1
1 607 . 16 1 1 A 56 56 ARG CA C 56 58.117 56.523 1.594 1
1 608 . 16 1 1 A 56 56 ARG HA H 56 4.603 4.261 0.342 1
1 609 . 16 1 1 A 56 56 ARG CB C 56 31.741 31.651 0.090 1
1 618 . 16 1 1 A 56 56 ARG C C 56 176.201 175.718 0.483 1
1 619 . 16 1 1 A 57 57 ARG N N 57 113.134 119.010 -5.876 1
1 620 . 16 1 1 A 57 57 ARG H H 57 7.273 7.586 -0.313 1
1 621 . 16 1 1 A 57 57 ARG CA C 57 53.978 54.567 -0.589 1
1 622 . 16 1 1 A 57 57 ARG HA H 57 4.650 4.492 0.158 1
1 623 . 16 1 1 A 57 57 ARG CB C 57 34.701 32.156 2.545 1
1 632 . 16 1 1 A 57 57 ARG C C 57 176.296 176.369 -0.073 1
1 633 . 16 1 1 A 58 58 GLN N N 58 124.070 123.922 0.148 1
1 634 . 16 1 1 A 58 58 GLN H H 58 8.583 9.043 -0.460 1
1 635 . 16 1 1 A 58 58 GLN CA C 58 59.036 59.103 -0.067 1
1 636 . 16 1 1 A 58 58 GLN HA H 58 3.004 4.059 -1.055 1
1 637 . 16 1 1 A 58 58 GLN CB C 58 28.229 28.654 -0.425 1
1 646 . 16 1 1 A 58 58 GLN C C 58 177.925 177.172 0.753 1
1 647 . 16 1 1 A 59 59 ASP CA C 59 56.406 57.011 -0.605 1
1 648 . 16 1 1 A 59 59 ASP HA H 59 4.046 4.304 -0.258 1
1 649 . 16 1 1 A 59 59 ASP CB C 59 38.248 41.635 -3.387 1
1 652 . 16 1 1 A 59 59 ASP C C 59 177.698 178.708 -1.010 1
1 653 . 16 1 1 A 60 60 HIS N N 60 119.173 118.176 0.997 1
1 654 . 16 1 1 A 60 60 HIS H H 60 6.954 7.834 -0.880 1
1 655 . 16 1 1 A 60 60 HIS CA C 60 56.843 59.650 -2.807 1
1 656 . 16 1 1 A 60 60 HIS HA H 60 4.432 4.754 -0.322 1
1 657 . 16 1 1 A 60 60 HIS CB C 60 31.752 29.723 2.029 1
1 664 . 16 1 1 A 60 60 HIS C C 60 178.617 178.023 0.594 1
1 665 . 16 1 1 A 61 61 LEU N N 61 120.844 120.746 0.098 1
1 666 . 16 1 1 A 61 61 LEU H H 61 6.979 7.967 -0.988 1
1 667 . 16 1 1 A 61 61 LEU CA C 61 57.728 56.836 0.892 1
1 668 . 16 1 1 A 61 61 LEU HA H 61 3.145 3.081 0.064 1
1 669 . 16 1 1 A 61 61 LEU CB C 61 40.153 41.356 -1.203 1
1 682 . 16 1 1 A 61 61 LEU C C 61 176.855 178.651 -1.796 1
1 683 . 16 1 1 A 62 62 ARG N N 62 120.225 120.307 -0.082 1
1 684 . 16 1 1 A 62 62 ARG H H 62 8.012 8.249 -0.237 1
1 685 . 16 1 1 A 62 62 ARG CA C 62 59.526 59.338 0.188 1
1 686 . 16 1 1 A 62 62 ARG HA H 62 3.724 4.107 -0.383 1
1 687 . 16 1 1 A 62 62 ARG CB C 62 29.388 30.328 -0.940 1
1 696 . 16 1 1 A 62 62 ARG C C 62 178.582 179.084 -0.502 1
1 697 . 16 1 1 A 63 63 ASP N N 63 117.219 118.767 -1.548 1
1 698 . 16 1 1 A 63 63 ASP H H 63 7.823 8.768 -0.945 1
1 699 . 16 1 1 A 63 63 ASP CA C 63 56.694 56.017 0.677 1
1 700 . 16 1 1 A 63 63 ASP HA H 63 4.401 4.611 -0.210 1
1 701 . 16 1 1 A 63 63 ASP CB C 63 40.226 39.333 0.893 1
1 704 . 16 1 1 A 63 63 ASP C C 63 178.560 178.544 0.016 1
1 705 . 16 1 1 A 64 64 HIS N N 64 119.185 120.140 -0.955 1
1 706 . 16 1 1 A 64 64 HIS H H 64 7.606 8.195 -0.589 1
1 707 . 16 1 1 A 64 64 HIS CA C 64 58.772 59.618 -0.846 1
1 708 . 16 1 1 A 64 64 HIS HA H 64 4.211 4.222 -0.011 1
1 709 . 16 1 1 A 64 64 HIS CB C 64 28.533 29.941 -1.408 1
1 716 . 16 1 1 A 64 64 HIS C C 64 176.334 177.539 -1.205 1
1 717 . 16 1 1 A 65 65 ARG N N 65 116.490 118.079 -1.589 1
1 718 . 16 1 1 A 65 65 ARG H H 65 8.157 8.190 -0.033 1
1 719 . 16 1 1 A 65 65 ARG CA C 65 59.666 59.033 0.633 1
1 720 . 16 1 1 A 65 65 ARG HA H 65 3.576 4.066 -0.490 1
1 721 . 16 1 1 A 65 65 ARG CB C 65 29.958 29.900 0.058 1
1 730 . 16 1 1 A 65 65 ARG C C 65 178.301 178.208 0.093 1
1 731 . 16 1 1 A 66 66 TYR N N 66 117.286 118.376 -1.090 1
1 732 . 16 1 1 A 66 66 TYR H H 66 7.169 7.916 -0.747 1
1 733 . 16 1 1 A 66 66 TYR CA C 66 60.186 61.017 -0.831 1
1 734 . 16 1 1 A 66 66 TYR HA H 66 4.339 4.332 0.007 1
1 735 . 16 1 1 A 66 66 TYR CB C 66 37.960 37.499 0.461 1
1 746 . 16 1 1 A 66 66 TYR C C 66 178.191 178.519 -0.328 1
1 747 . 16 1 1 A 67 67 ILE N N 67 117.609 114.922 2.687 1
1 748 . 16 1 1 A 67 67 ILE H H 67 7.883 7.903 -0.020 1
1 749 . 16 1 1 A 67 67 ILE CA C 67 63.440 63.943 -0.503 1
1 750 . 16 1 1 A 67 67 ILE HA H 67 3.836 3.760 0.076 1
1 751 . 16 1 1 A 67 67 ILE CB C 67 37.482 36.973 0.509 1
1 764 . 16 1 1 A 67 67 ILE C C 67 177.511 176.041 1.470 1
1 765 . 16 1 1 A 68 68 HIS N N 68 116.764 121.372 -4.608 1
1 766 . 16 1 1 A 68 68 HIS H H 68 7.140 7.550 -0.410 1
1 767 . 16 1 1 A 68 68 HIS CA C 68 55.340 54.805 0.535 1
1 768 . 16 1 1 A 68 68 HIS HA H 68 4.768 4.697 0.071 1
1 769 . 16 1 1 A 68 68 HIS CB C 68 28.687 28.396 0.291 1
1 776 . 16 1 1 A 68 68 HIS C C 68 175.627 175.043 0.584 1
1 777 . 16 1 1 A 69 69 SER N N 69 114.870 120.723 -5.853 1
1 778 . 16 1 1 A 69 69 SER H H 69 7.731 8.911 -1.180 1
1 779 . 16 1 1 A 69 69 SER CA C 69 59.200 58.884 0.316 1
1 780 . 16 1 1 A 69 69 SER HA H 69 4.379 4.318 0.061 1
1 781 . 16 1 1 A 69 69 SER CB C 69 63.765 63.691 0.074 1
1 784 . 16 1 1 A 69 69 SER C C 69 174.692 173.434 1.258 1
1 785 . 16 1 1 A 70 70 LYS N N 70 121.978 126.064 -4.086 1
1 786 . 16 1 1 A 70 70 LYS H H 70 8.063 8.577 -0.514 1
1 787 . 16 1 1 A 70 70 LYS CA C 70 56.825 54.722 2.103 1
1 788 . 16 1 1 A 70 70 LYS HA H 70 4.214 4.873 -0.659 1
1 789 . 16 1 1 A 70 70 LYS CB C 70 32.539 34.372 -1.833 1
1 801 . 16 1 1 A 70 70 LYS C C 70 176.806 174.777 2.029 1
1 802 . 16 1 1 A 71 71 GLU N N 71 120.177 128.148 -7.971 1
1 803 . 16 1 1 A 71 71 GLU H H 71 8.008 8.946 -0.938 1
1 804 . 16 1 1 A 71 71 GLU CA C 71 56.472 55.272 1.200 1
1 805 . 16 1 1 A 71 71 GLU HA H 71 4.191 4.919 -0.728 1
1 806 . 16 1 1 A 71 71 GLU CB C 71 29.335 33.130 -3.795 1
1 811 . 16 1 1 A 71 71 GLU C C 71 176.040 175.311 0.729 1
1 812 . 16 1 1 A 72 72 LYS N N 72 121.800 127.376 -5.576 1
1 813 . 16 1 1 A 72 72 LYS H H 72 8.277 8.541 -0.264 1
1 814 . 16 1 1 A 72 72 LYS CA C 72 53.820 54.742 -0.922 1
1 815 . 16 1 1 A 72 72 LYS HA H 72 4.391 4.342 0.049 1
1 816 . 16 1 1 A 72 72 LYS CB C 72 32.139 32.353 -0.214 1
1 828 . 16 1 1 A 72 72 LYS C C 72 174.768 176.596 -1.828 1
1 829 . 16 1 1 A 73 73 PRO CA C 73 63.978 64.299 -0.321 1
1 830 . 16 1 1 A 73 73 PRO HA H 73 4.144 4.402 -0.258 1
1 831 . 16 1 1 A 73 73 PRO CB C 73 31.953 31.590 0.363 1
1 840 . 16 1 1 A 73 73 PRO C C 73 176.402 176.740 -0.338 1
1 841 . 16 1 1 A 74 74 PHE N N 74 117.425 118.197 -0.772 1
1 842 . 16 1 1 A 74 74 PHE H H 74 7.686 8.122 -0.436 1
1 843 . 16 1 1 A 74 74 PHE CA C 74 57.020 57.175 -0.155 1
1 844 . 16 1 1 A 74 74 PHE HA H 74 4.691 4.742 -0.051 1
1 845 . 16 1 1 A 74 74 PHE CB C 74 39.403 36.968 2.435 1
1 856 . 16 1 1 A 74 74 PHE C C 74 174.442 175.048 -0.606 1
1 857 . 16 1 1 A 75 75 LYS N N 75 123.931 117.594 6.337 1
1 858 . 16 1 1 A 75 75 LYS H H 75 8.590 7.588 1.002 1
1 859 . 16 1 1 A 75 75 LYS CA C 75 54.951 54.426 0.525 1
1 860 . 16 1 1 A 75 75 LYS HA H 75 5.021 4.942 0.079 1
1 861 . 16 1 1 A 75 75 LYS CB C 75 35.286 36.004 -0.718 1
1 873 . 16 1 1 A 75 75 LYS C C 75 175.465 175.358 0.107 1
1 874 . 16 1 1 A 76 76 CYS N N 76 126.279 124.341 1.938 1
1 875 . 16 1 1 A 76 76 CYS H H 76 9.149 9.082 0.067 1
1 876 . 16 1 1 A 76 76 CYS CA C 76 59.553 59.894 -0.341 1
1 877 . 16 1 1 A 76 76 CYS HA H 76 4.462 4.483 -0.021 1
1 878 . 16 1 1 A 76 76 CYS CB C 76 29.772 28.928 0.844 1
1 881 . 16 1 1 A 76 76 CYS C C 76 177.367 174.930 2.437 1
1 882 . 16 1 1 A 77 77 GLN CA C 77 58.117 57.151 0.966 1
1 883 . 16 1 1 A 77 77 GLN HA H 77 4.130 4.310 -0.180 1
1 884 . 16 1 1 A 77 77 GLN CB C 77 28.479 29.271 -0.792 1
1 893 . 16 1 1 A 77 77 GLN C C 77 176.283 178.031 -1.748 1
1 894 . 16 1 1 A 78 78 GLU N N 78 120.320 119.238 1.082 1
1 895 . 16 1 1 A 78 78 GLU H H 78 8.682 7.726 0.956 1
1 896 . 16 1 1 A 78 78 GLU CA C 78 58.540 59.026 -0.486 1
1 897 . 16 1 1 A 78 78 GLU HA H 78 4.165 4.033 0.132 1
1 898 . 16 1 1 A 78 78 GLU CB C 78 29.469 29.085 0.384 1
1 904 . 16 1 1 A 78 78 GLU C C 78 177.275 178.448 -1.173 1
1 905 . 16 1 1 A 79 79 CYS N N 79 114.728 114.771 -0.043 1
1 906 . 16 1 1 A 79 79 CYS H H 79 8.018 7.392 0.626 1
1 907 . 16 1 1 A 79 79 CYS CA C 79 58.271 59.879 -1.608 1
1 908 . 16 1 1 A 79 79 CYS HA H 79 5.142 4.553 0.589 1
1 909 . 16 1 1 A 79 79 CYS CB C 79 32.339 29.422 2.917 1
1 912 . 16 1 1 A 79 79 CYS C C 79 176.280 175.728 0.552 1
1 913 . 16 1 1 A 80 80 GLY N N 80 113.675 110.340 3.335 1
1 914 . 16 1 1 A 80 80 GLY H H 80 8.133 8.005 0.128 1
1 915 . 16 1 1 A 80 80 GLY CA C 80 46.206 46.126 0.080 1
1 916 . 16 1 1 A 80 80 GLY HA2 H 80 4.213 3.914 0.299 1
1 917 . 16 1 1 A 80 80 GLY HA3 H 80 3.755 3.939 -0.184 1
1 918 . 16 1 1 A 80 80 GLY C C 80 173.619 174.960 -1.341 1
1 919 . 16 1 1 A 81 81 LYS N N 81 122.811 119.597 3.214 1
1 920 . 16 1 1 A 81 81 LYS H H 81 7.945 7.223 0.722 1
1 921 . 16 1 1 A 81 81 LYS CA C 81 58.211 56.560 1.651 1
1 922 . 16 1 1 A 81 81 LYS HA H 81 3.947 4.094 -0.147 1
1 923 . 16 1 1 A 81 81 LYS CB C 81 33.921 33.119 0.802 1
1 935 . 16 1 1 A 81 81 LYS C C 81 174.639 176.012 -1.373 1
1 936 . 16 1 1 A 82 82 GLY N N 82 108.366 109.702 -1.336 1
1 937 . 16 1 1 A 82 82 GLY H H 82 7.936 8.062 -0.126 1
1 938 . 16 1 1 A 82 82 GLY CA C 82 44.048 46.418 -2.370 1
1 939 . 16 1 1 A 82 82 GLY HA2 H 82 4.847 3.886 0.961 1
1 940 . 16 1 1 A 82 82 GLY HA3 H 82 3.291 3.918 -0.627 1
1 941 . 16 1 1 A 82 82 GLY C C 82 172.166 173.615 -1.449 1
1 942 . 16 1 1 A 83 83 PHE N N 83 117.822 122.847 -5.025 1
1 943 . 16 1 1 A 83 83 PHE H H 83 8.697 8.682 0.015 1
1 944 . 16 1 1 A 83 83 PHE CA C 83 57.338 58.122 -0.784 1
1 945 . 16 1 1 A 83 83 PHE HA H 83 4.755 4.711 0.044 1
1 946 . 16 1 1 A 83 83 PHE CB C 83 43.462 40.053 3.409 1
1 959 . 16 1 1 A 83 83 PHE C C 83 175.424 175.850 -0.426 1
1 960 . 16 1 1 A 84 84 CYS CA C 84 60.706 59.224 1.482 1
1 961 . 16 1 1 A 84 84 CYS HA H 84 4.608 4.648 -0.040 1
1 962 . 16 1 1 A 84 84 CYS CB C 84 28.990 29.843 -0.853 1
1 965 . 16 1 1 A 84 84 CYS C C 84 174.163 174.745 -0.582 1
1 966 . 16 1 1 A 85 85 GLN N N 85 114.620 120.633 -6.013 1
1 967 . 16 1 1 A 85 85 GLN H H 85 7.326 7.881 -0.555 1
1 968 . 16 1 1 A 85 85 GLN CA C 85 54.098 54.434 -0.336 1
1 969 . 16 1 1 A 85 85 GLN HA H 85 4.648 4.518 0.130 1
1 970 . 16 1 1 A 85 85 GLN CB C 85 32.066 30.715 1.351 1
1 979 . 16 1 1 A 85 85 GLN C C 85 175.230 176.323 -1.093 1
1 980 . 16 1 1 A 86 86 SER CA C 86 61.164 61.245 -0.081 1
1 981 . 16 1 1 A 86 86 SER HA H 86 3.078 4.250 -1.172 1
1 982 . 16 1 1 A 86 86 SER CB C 86 61.738 62.565 -0.827 1
1 985 . 16 1 1 A 87 87 ARG CA C 87 58.886 59.296 -0.410 1
1 986 . 16 1 1 A 87 87 ARG HA H 87 4.049 3.937 0.112 1
1 987 . 16 1 1 A 87 87 ARG CB C 87 29.519 30.072 -0.553 1
1 996 . 16 1 1 A 87 87 ARG C C 87 177.520 178.815 -1.295 1
1 997 . 16 1 1 A 88 88 THR N N 88 112.500 114.314 -1.814 1
1 998 . 16 1 1 A 88 88 THR H H 88 6.796 8.124 -1.328 1
1 999 . 16 1 1 A 88 88 THR CA C 88 64.598 67.115 -2.517 1
1 1000 . 16 1 1 A 88 88 THR HA H 88 3.844 3.905 -0.061 1
1 1001 . 16 1 1 A 88 88 THR CB C 88 67.809 68.523 -0.714 1
1 1007 . 16 1 1 A 88 88 THR C C 88 177.343 175.689 1.654 1
1 1008 . 16 1 1 A 89 89 LEU N N 89 123.163 120.487 2.676 1
1 1009 . 16 1 1 A 89 89 LEU H H 89 6.898 7.456 -0.558 1
1 1010 . 16 1 1 A 89 89 LEU CA C 89 57.692 57.499 0.193 1
1 1011 . 16 1 1 A 89 89 LEU HA H 89 3.147 3.111 0.036 1
1 1012 . 16 1 1 A 89 89 LEU CB C 89 40.133 41.600 -1.467 1
1 1025 . 16 1 1 A 89 89 LEU C C 89 176.886 178.677 -1.791 1
1 1026 . 16 1 1 A 90 90 ALA N N 90 120.747 121.052 -0.305 1
1 1027 . 16 1 1 A 90 90 ALA H H 90 7.837 7.954 -0.117 1
1 1028 . 16 1 1 A 90 90 ALA CA C 90 55.646 55.246 0.400 1
1 1029 . 16 1 1 A 90 90 ALA HA H 90 3.914 4.057 -0.143 1
1 1030 . 16 1 1 A 90 90 ALA CB C 90 17.722 18.718 -0.996 1
1 1034 . 16 1 1 A 90 90 ALA C C 90 180.692 179.448 1.244 1
1 1035 . 16 1 1 A 91 91 VAL N N 91 117.181 117.854 -0.673 1
1 1036 . 16 1 1 A 91 91 VAL H H 91 7.475 7.793 -0.318 1
1 1037 . 16 1 1 A 91 91 VAL CA C 91 65.880 66.511 -0.631 1
1 1038 . 16 1 1 A 91 91 VAL HA H 91 3.662 3.571 0.091 1
1 1039 . 16 1 1 A 91 91 VAL CB C 91 32.018 31.554 0.464 1
1 1049 . 16 1 1 A 91 91 VAL C C 91 178.708 178.104 0.604 1
1 1050 . 16 1 1 A 92 92 HIS N N 92 121.501 119.482 2.019 1
1 1051 . 16 1 1 A 92 92 HIS H H 92 7.625 8.223 -0.598 1
1 1052 . 16 1 1 A 92 92 HIS CA C 92 59.553 60.001 -0.448 1
1 1053 . 16 1 1 A 92 92 HIS HA H 92 4.095 4.155 -0.060 1
1 1054 . 16 1 1 A 92 92 HIS CB C 92 28.040 29.810 -1.770 1
1 1061 . 16 1 1 A 92 92 HIS C C 92 176.518 177.180 -0.662 1
1 1062 . 16 1 1 A 93 93 LYS N N 93 116.162 118.484 -2.322 1
1 1063 . 16 1 1 A 93 93 LYS H H 93 8.372 8.227 0.145 1
1 1064 . 16 1 1 A 93 93 LYS CA C 93 60.253 59.277 0.976 1
1 1065 . 16 1 1 A 93 93 LYS HA H 93 3.732 3.982 -0.250 1
1 1066 . 16 1 1 A 93 93 LYS CB C 93 32.158 31.919 0.239 1
1 1078 . 16 1 1 A 93 93 LYS C C 93 179.211 179.504 -0.293 1
1 1079 . 16 1 1 A 94 94 THR N N 94 111.607 113.455 -1.848 1
1 1080 . 16 1 1 A 94 94 THR H H 94 7.434 7.961 -0.527 1
1 1081 . 16 1 1 A 94 94 THR CA C 94 65.106 65.005 0.101 1
1 1082 . 16 1 1 A 94 94 THR HA H 94 4.034 4.107 -0.073 1
1 1083 . 16 1 1 A 94 94 THR CB C 94 69.075 68.835 0.240 1
1 1089 . 16 1 1 A 94 94 THR C C 94 176.406 176.058 0.348 1
1 1090 . 16 1 1 A 95 95 LEU N N 95 121.689 121.727 -0.038 1
1 1091 . 16 1 1 A 95 95 LEU H H 95 7.725 7.327 0.398 1
1 1092 . 16 1 1 A 95 95 LEU CA C 95 56.680 56.564 0.116 1
1 1093 . 16 1 1 A 95 95 LEU HA H 95 4.020 4.103 -0.083 1
1 1094 . 16 1 1 A 95 95 LEU CB C 95 41.186 41.660 -0.474 1
1 1107 . 16 1 1 A 95 95 LEU C C 95 178.956 177.485 1.471 1
1 1108 . 16 1 1 A 96 96 HIS N N 96 114.750 114.997 -0.247 1
1 1109 . 16 1 1 A 96 96 HIS H H 96 7.160 7.947 -0.787 1
1 1110 . 16 1 1 A 96 96 HIS CA C 96 55.206 55.175 0.031 1
1 1111 . 16 1 1 A 96 96 HIS HA H 96 4.730 4.779 -0.049 1
1 1112 . 16 1 1 A 96 96 HIS CB C 96 28.687 29.253 -0.566 1
1 1119 . 16 1 1 A 96 96 HIS C C 96 175.230 174.820 0.410 1
1 1120 . 16 1 1 A 97 97 MET N N 97 118.984 117.961 1.023 1
1 1121 . 16 1 1 A 97 97 MET H H 97 7.626 7.665 -0.039 1
1 1122 . 16 1 1 A 97 97 MET CA C 97 55.995 54.319 1.676 1
1 1123 . 16 1 1 A 97 97 MET HA H 97 4.424 4.628 -0.204 1
1 1124 . 16 1 1 A 97 97 MET CB C 97 33.065 34.866 -1.801 1
1 1134 . 16 1 1 A 97 97 MET C C 97 176.174 174.873 1.301 1
1 1135 . 16 1 1 A 98 98 GLN N N 98 120.828 119.296 1.532 1
1 1136 . 16 1 1 A 98 98 GLN H H 98 8.271 8.545 -0.274 1
1 1137 . 16 1 1 A 98 98 GLN CA C 98 55.951 55.001 0.950 1
1 1138 . 16 1 1 A 98 98 GLN HA H 98 4.382 4.807 -0.425 1
1 1139 . 16 1 1 A 98 98 GLN CB C 98 29.364 32.520 -3.156 1
1 1148 . 16 1 1 A 98 98 GLN C C 98 176.242 174.124 2.118 1
1 1149 . 16 1 1 A 99 99 THR N N 99 114.965 124.032 -9.067 1
1 1150 . 16 1 1 A 99 99 THR H H 99 8.200 8.918 -0.718 1
1 1151 . 16 1 1 A 99 99 THR CA C 99 61.773 62.093 -0.320 1
1 1152 . 16 1 1 A 99 99 THR HA H 99 4.374 5.029 -0.655 1
1 1153 . 16 1 1 A 99 99 THR CB C 99 69.654 70.520 -0.866 1
1 1159 . 16 1 1 A 99 99 THR C C 99 174.491 173.721 0.770 1
1 1160 . 16 1 1 A 100 100 SER N N 100 118.047 121.852 -3.805 1
1 1161 . 16 1 1 A 100 100 SER H H 100 8.311 8.826 -0.515 1
1 1162 . 16 1 1 A 100 100 SER CA C 100 58.240 56.760 1.480 1
1 1163 . 16 1 1 A 100 100 SER HA H 100 4.493 5.024 -0.531 1
1 1164 . 16 1 1 A 100 100 SER CB C 100 63.843 65.000 -1.157 1
1 1167 . 16 1 1 A 100 100 SER C C 100 174.152 172.571 1.581 1
1 1168 . 16 1 1 A 101 101 SER N N 101 118.812 121.927 -3.115 1
1 1169 . 16 1 1 A 101 101 SER H H 101 8.358 8.919 -0.561 1
1 1170 . 16 1 1 A 101 101 SER CA C 101 56.348 55.321 1.027 1
1 1171 . 16 1 1 A 101 101 SER HA H 101 4.773 5.350 -0.577 1
1 1172 . 16 1 1 A 101 101 SER CB C 101 63.554 64.626 -1.072 1
1 1175 . 16 1 1 A 101 101 SER C C 101 172.898 173.646 -0.748 1
1 1176 . 16 1 1 A 102 102 PRO CA C 102 63.453 62.340 1.113 1
1 1177 . 16 1 1 A 102 102 PRO HA H 102 4.485 4.633 -0.148 1
1 1178 . 16 1 1 A 102 102 PRO CB C 102 32.126 33.283 -1.157 1
1 1187 . 16 1 1 A 102 102 PRO C C 102 177.181 175.389 1.792 1
1 1188 . 16 1 1 A 103 103 THR N N 103 114.257 113.482 0.775 1
1 1189 . 16 1 1 A 103 103 THR H H 103 8.188 8.377 -0.189 1
1 1190 . 16 1 1 A 103 103 THR CA C 103 61.748 61.138 0.610 1
1 1191 . 16 1 1 A 103 103 THR HA H 103 4.273 4.792 -0.519 1
1 1192 . 16 1 1 A 103 103 THR CB C 103 69.833 72.019 -2.186 1
1 1198 . 16 1 1 A 103 103 THR C C 103 174.258 173.182 1.076 1
1 1199 . 16 1 1 A 104 104 ALA N N 104 126.872 123.718 3.154 1
1 1200 . 16 1 1 A 104 104 ALA H H 104 8.240 8.635 -0.395 1
1 1201 . 16 1 1 A 104 104 ALA CA C 104 52.369 51.410 0.959 1
1 1202 . 16 1 1 A 104 104 ALA HA H 104 4.316 4.942 -0.626 1
1 1203 . 16 1 1 A 104 104 ALA CB C 104 19.417 23.607 -4.190 1
1 1207 . 16 1 1 A 104 104 ALA C C 104 177.129 175.609 1.520 1
1 1208 . 16 1 1 A 105 105 ALA N N 105 124.353 120.844 3.509 1
1 1209 . 16 1 1 A 105 105 ALA H H 105 8.312 8.774 -0.462 1
1 1210 . 16 1 1 A 105 105 ALA CA C 105 52.408 51.184 1.224 1
1 1211 . 16 1 1 A 105 105 ALA HA H 105 4.327 4.954 -0.627 1
1 1212 . 16 1 1 A 105 105 ALA CB C 105 19.416 23.827 -4.411 1
1 1216 . 16 1 1 A 105 105 ALA C C 105 176.902 175.691 1.211 1
1 1 . 17 1 1 A 8 8 GLY CA C 8 45.171 45.775 -0.604 1
1 2 . 17 1 1 A 8 8 GLY HA2 H 8 3.976 4.226 -0.250 1
1 3 . 17 1 1 A 8 8 GLY HA3 H 8 3.976 4.227 -0.251 1
1 4 . 17 1 1 A 8 8 GLY C C 8 173.956 172.558 1.398 1
1 5 . 17 1 1 A 9 9 ARG N N 9 120.445 120.874 -0.429 1
1 6 . 17 1 1 A 9 9 ARG H H 9 8.126 8.648 -0.522 1
1 7 . 17 1 1 A 9 9 ARG CA C 9 55.873 54.699 1.174 1
1 8 . 17 1 1 A 9 9 ARG HA H 9 4.318 5.084 -0.766 1
1 9 . 17 1 1 A 9 9 ARG CB C 9 30.899 31.849 -0.950 1
1 18 . 17 1 1 A 9 9 ARG C C 9 176.192 174.992 1.200 1
1 19 . 17 1 1 A 10 10 LEU N N 10 125.156 125.568 -0.412 1
1 20 . 17 1 1 A 10 10 LEU H H 10 8.357 8.629 -0.272 1
1 21 . 17 1 1 A 10 10 LEU CA C 10 53.058 51.225 1.833 1
1 22 . 17 1 1 A 10 10 LEU HA H 10 4.589 4.821 -0.232 1
1 23 . 17 1 1 A 10 10 LEU CB C 10 41.599 45.404 -3.805 1
1 36 . 17 1 1 A 10 10 LEU C C 10 175.327 174.486 0.841 1
1 37 . 17 1 1 A 11 11 PRO CA C 11 63.064 62.333 0.731 1
1 38 . 17 1 1 A 11 11 PRO HA H 11 4.416 4.596 -0.180 1
1 39 . 17 1 1 A 11 11 PRO CB C 11 32.095 33.253 -1.158 1
1 48 . 17 1 1 A 13 13 LYS CA C 13 56.353 57.355 -1.002 1
1 49 . 17 1 1 A 13 13 LYS HA H 13 4.383 4.251 0.132 1
1 50 . 17 1 1 A 13 13 LYS CB C 13 33.019 33.105 -0.086 1
1 62 . 17 1 1 A 13 13 LYS C C 13 176.694 175.608 1.086 1
1 63 . 17 1 1 A 14 14 THR N N 14 115.691 115.698 -0.007 1
1 64 . 17 1 1 A 14 14 THR H H 14 8.140 8.490 -0.350 1
1 65 . 17 1 1 A 14 14 THR CA C 14 61.919 60.346 1.573 1
1 66 . 17 1 1 A 14 14 THR HA H 14 4.265 5.173 -0.908 1
1 67 . 17 1 1 A 14 14 THR CB C 14 69.860 71.200 -1.340 1
1 73 . 17 1 1 A 14 14 THR C C 14 174.261 172.686 1.575 1
1 74 . 17 1 1 A 15 15 LYS N N 15 124.645 128.553 -3.908 1
1 75 . 17 1 1 A 15 15 LYS H H 15 8.323 8.647 -0.324 1
1 76 . 17 1 1 A 15 15 LYS CA C 15 56.226 55.522 0.704 1
1 77 . 17 1 1 A 15 15 LYS HA H 15 4.278 4.872 -0.594 1
1 78 . 17 1 1 A 15 15 LYS CB C 15 33.220 36.684 -3.464 1
1 90 . 17 1 1 A 15 15 LYS C C 15 175.921 174.476 1.445 1
1 91 . 17 1 1 A 16 16 LYS N N 16 123.830 123.524 0.306 1
1 92 . 17 1 1 A 16 16 LYS H H 16 8.332 8.847 -0.515 1
1 93 . 17 1 1 A 16 16 LYS CA C 16 55.966 54.579 1.387 1
1 94 . 17 1 1 A 16 16 LYS HA H 16 4.192 5.017 -0.825 1
1 95 . 17 1 1 A 16 16 LYS CB C 16 33.028 36.064 -3.036 1
1 107 . 17 1 1 A 16 16 LYS C C 16 175.334 174.654 0.680 1
1 108 . 17 1 1 A 17 17 GLU N N 17 121.077 119.312 1.765 1
1 109 . 17 1 1 A 17 17 GLU H H 17 7.931 8.862 -0.931 1
1 110 . 17 1 1 A 17 17 GLU CA C 17 55.463 54.483 0.980 1
1 111 . 17 1 1 A 17 17 GLU HA H 17 4.300 4.971 -0.671 1
1 112 . 17 1 1 A 17 17 GLU CB C 17 31.984 34.118 -2.134 1
1 118 . 17 1 1 A 17 17 GLU C C 17 174.646 174.481 0.165 1
1 119 . 17 1 1 A 18 18 PHE N N 18 121.605 116.517 5.088 1
1 120 . 17 1 1 A 18 18 PHE H H 18 8.560 8.546 0.014 1
1 121 . 17 1 1 A 18 18 PHE CA C 18 56.963 56.724 0.239 1
1 122 . 17 1 1 A 18 18 PHE HA H 18 4.675 5.294 -0.619 1
1 123 . 17 1 1 A 18 18 PHE CB C 18 39.653 43.529 -3.876 1
1 134 . 17 1 1 A 18 18 PHE C C 18 173.933 175.372 -1.439 1
1 135 . 17 1 1 A 19 19 ILE N N 19 123.977 120.007 3.970 1
1 136 . 17 1 1 A 19 19 ILE H H 19 8.425 8.894 -0.469 1
1 137 . 17 1 1 A 19 19 ILE CA C 19 59.740 59.947 -0.207 1
1 138 . 17 1 1 A 19 19 ILE HA H 19 4.654 5.125 -0.471 1
1 139 . 17 1 1 A 19 19 ILE CB C 19 41.000 41.816 -0.816 1
1 152 . 17 1 1 A 19 19 ILE C C 19 175.584 174.841 0.743 1
1 153 . 17 1 1 A 20 20 CYS N N 20 129.741 127.260 2.481 1
1 154 . 17 1 1 A 20 20 CYS H H 20 9.224 9.075 0.149 1
1 155 . 17 1 1 A 20 20 CYS CA C 20 59.974 59.353 0.621 1
1 156 . 17 1 1 A 20 20 CYS HA H 20 4.827 4.522 0.305 1
1 157 . 17 1 1 A 20 20 CYS CB C 20 30.335 29.062 1.273 1
1 160 . 17 1 1 A 20 20 CYS C C 20 178.043 175.524 2.519 1
1 161 . 17 1 1 A 21 21 LYS N N 21 132.598 122.369 10.229 1
1 162 . 17 1 1 A 21 21 LYS H H 21 9.473 8.284 1.189 1
1 163 . 17 1 1 A 21 21 LYS CA C 21 58.099 56.640 1.459 1
1 164 . 17 1 1 A 21 21 LYS HA H 21 4.104 4.484 -0.380 1
1 165 . 17 1 1 A 21 21 LYS CB C 21 31.695 34.060 -2.365 1
1 177 . 17 1 1 A 21 21 LYS C C 21 175.765 178.261 -2.496 1
1 178 . 17 1 1 A 22 22 PHE N N 22 121.000 118.166 2.834 1
1 179 . 17 1 1 A 22 22 PHE H H 22 9.158 7.397 1.761 1
1 180 . 17 1 1 A 22 22 PHE CA C 22 59.743 60.077 -0.334 1
1 181 . 17 1 1 A 22 22 PHE HA H 22 4.394 4.103 0.291 1
1 182 . 17 1 1 A 22 22 PHE CB C 22 37.953 37.630 0.323 1
1 195 . 17 1 1 A 22 22 PHE C C 22 176.819 177.315 -0.496 1
1 196 . 17 1 1 A 23 23 CYS N N 23 115.955 113.472 2.483 1
1 197 . 17 1 1 A 23 23 CYS H H 23 8.410 7.895 0.515 1
1 198 . 17 1 1 A 23 23 CYS CA C 23 58.486 59.601 -1.115 1
1 199 . 17 1 1 A 23 23 CYS HA H 23 5.262 4.670 0.592 1
1 200 . 17 1 1 A 23 23 CYS CB C 23 33.092 30.056 3.036 1
1 203 . 17 1 1 A 23 23 CYS C C 23 176.770 175.604 1.166 1
1 204 . 17 1 1 A 24 24 GLY N N 24 112.575 110.479 2.096 1
1 205 . 17 1 1 A 24 24 GLY H H 24 8.092 8.335 -0.243 1
1 206 . 17 1 1 A 24 24 GLY CA C 24 46.302 46.634 -0.332 1
1 207 . 17 1 1 A 24 24 GLY HA2 H 24 4.238 3.937 0.301 1
1 208 . 17 1 1 A 24 24 GLY HA3 H 24 3.776 3.938 -0.162 1
1 209 . 17 1 1 A 24 24 GLY C C 24 173.621 173.899 -0.278 1
1 210 . 17 1 1 A 25 25 ARG N N 25 122.678 120.954 1.724 1
1 211 . 17 1 1 A 25 25 ARG H H 25 8.079 7.887 0.192 1
1 212 . 17 1 1 A 25 25 ARG CA C 25 58.063 54.457 3.606 1
1 213 . 17 1 1 A 25 25 ARG HA H 25 4.096 4.929 -0.833 1
1 214 . 17 1 1 A 25 25 ARG CB C 25 31.628 33.292 -1.664 1
1 223 . 17 1 1 A 25 25 ARG C C 25 174.641 174.791 -0.150 1
1 224 . 17 1 1 A 26 26 HIS N N 26 121.510 124.275 -2.765 1
1 225 . 17 1 1 A 26 26 HIS H H 26 8.454 8.866 -0.412 1
1 226 . 17 1 1 A 26 26 HIS CA C 26 55.553 55.667 -0.114 1
1 227 . 17 1 1 A 26 26 HIS HA H 26 5.166 4.937 0.229 1
1 228 . 17 1 1 A 26 26 HIS CB C 26 32.066 30.922 1.144 1
1 235 . 17 1 1 A 26 26 HIS C C 26 174.732 174.717 0.015 1
1 236 . 17 1 1 A 27 27 PHE N N 27 119.065 120.366 -1.301 1
1 237 . 17 1 1 A 27 27 PHE H H 27 9.035 8.727 0.308 1
1 238 . 17 1 1 A 27 27 PHE CA C 27 57.515 56.539 0.976 1
1 239 . 17 1 1 A 27 27 PHE HA H 27 4.724 4.897 -0.173 1
1 240 . 17 1 1 A 27 27 PHE CB C 27 43.276 41.761 1.515 1
1 253 . 17 1 1 A 27 27 PHE C C 27 175.205 176.245 -1.040 1
1 254 . 17 1 1 A 28 28 THR CA C 28 62.856 64.102 -1.246 1
1 255 . 17 1 1 A 28 28 THR HA H 28 4.691 4.241 0.450 1
1 256 . 17 1 1 A 28 28 THR CB C 28 69.897 69.083 0.814 1
1 262 . 17 1 1 A 28 28 THR C C 28 174.714 174.626 0.088 1
1 263 . 17 1 1 A 29 29 LYS N N 29 118.993 119.243 -0.250 1
1 264 . 17 1 1 A 29 29 LYS H H 29 7.456 7.540 -0.084 1
1 265 . 17 1 1 A 29 29 LYS CA C 29 54.239 54.866 -0.627 1
1 266 . 17 1 1 A 29 29 LYS HA H 29 4.573 4.867 -0.294 1
1 267 . 17 1 1 A 29 29 LYS CB C 29 35.412 34.949 0.463 1
1 279 . 17 1 1 A 29 29 LYS C C 29 176.395 176.945 -0.550 1
1 280 . 17 1 1 A 30 30 SER CA C 30 60.921 62.406 -1.485 1
1 281 . 17 1 1 A 30 30 SER HA H 30 3.025 4.193 -1.168 1
1 282 . 17 1 1 A 30 30 SER CB C 30 61.703 62.699 -0.996 1
1 285 . 17 1 1 A 31 31 TYR CA C 31 60.807 61.744 -0.937 1
1 286 . 17 1 1 A 31 31 TYR HA H 31 4.101 4.043 0.058 1
1 287 . 17 1 1 A 31 31 TYR CB C 31 38.408 38.576 -0.168 1
1 298 . 17 1 1 A 31 31 TYR C C 31 176.455 177.651 -1.196 1
1 299 . 17 1 1 A 32 32 ASN N N 32 114.304 118.117 -3.813 1
1 300 . 17 1 1 A 32 32 ASN H H 32 6.481 8.448 -1.967 1
1 301 . 17 1 1 A 32 32 ASN CA C 32 55.198 56.718 -1.520 1
1 302 . 17 1 1 A 32 32 ASN HA H 32 4.283 4.569 -0.286 1
1 303 . 17 1 1 A 32 32 ASN CB C 32 37.912 40.172 -2.260 1
1 309 . 17 1 1 A 32 32 ASN C C 32 177.633 177.294 0.339 1
1 310 . 17 1 1 A 33 33 LEU N N 33 121.854 119.940 1.914 1
1 311 . 17 1 1 A 33 33 LEU H H 33 7.002 7.236 -0.234 1
1 312 . 17 1 1 A 33 33 LEU CA C 33 57.820 57.547 0.273 1
1 313 . 17 1 1 A 33 33 LEU HA H 33 2.922 2.362 0.560 1
1 314 . 17 1 1 A 33 33 LEU CB C 33 40.350 41.414 -1.064 1
1 327 . 17 1 1 A 33 33 LEU C C 33 176.900 178.238 -1.338 1
1 328 . 17 1 1 A 34 34 LEU N N 34 120.140 116.932 3.208 1
1 329 . 17 1 1 A 34 34 LEU H H 34 7.795 7.703 0.092 1
1 330 . 17 1 1 A 34 34 LEU CA C 34 58.506 58.005 0.501 1
1 331 . 17 1 1 A 34 34 LEU HA H 34 3.933 3.918 0.015 1
1 332 . 17 1 1 A 34 34 LEU CB C 34 41.523 41.430 0.093 1
1 345 . 17 1 1 A 34 34 LEU C C 34 179.914 179.195 0.719 1
1 346 . 17 1 1 A 35 35 ILE N N 35 116.693 119.715 -3.022 1
1 347 . 17 1 1 A 35 35 ILE H H 35 7.368 8.165 -0.797 1
1 348 . 17 1 1 A 35 35 ILE CA C 35 63.641 64.238 -0.597 1
1 349 . 17 1 1 A 35 35 ILE HA H 35 3.533 3.773 -0.240 1
1 350 . 17 1 1 A 35 35 ILE CB C 35 37.380 37.465 -0.085 1
1 363 . 17 1 1 A 35 35 ILE C C 35 178.700 177.984 0.716 1
1 364 . 17 1 1 A 36 36 HIS N N 36 119.039 121.495 -2.456 1
1 365 . 17 1 1 A 36 36 HIS H H 36 7.424 7.913 -0.489 1
1 366 . 17 1 1 A 36 36 HIS CA C 36 59.486 59.041 0.445 1
1 367 . 17 1 1 A 36 36 HIS HA H 36 4.282 4.295 -0.013 1
1 368 . 17 1 1 A 36 36 HIS CB C 36 28.563 30.237 -1.674 1
1 375 . 17 1 1 A 36 36 HIS C C 36 178.907 177.301 1.606 1
1 376 . 17 1 1 A 37 37 GLU N N 37 122.627 118.187 4.440 1
1 377 . 17 1 1 A 37 37 GLU H H 37 9.459 8.596 0.863 1
1 378 . 17 1 1 A 37 37 GLU CA C 37 61.473 59.953 1.520 1
1 379 . 17 1 1 A 37 37 GLU HA H 37 3.922 3.848 0.074 1
1 380 . 17 1 1 A 37 37 GLU CB C 37 30.028 29.271 0.757 1
1 386 . 17 1 1 A 37 37 GLU C C 37 178.840 179.120 -0.280 1
1 387 . 17 1 1 A 38 38 ARG N N 38 116.143 120.109 -3.966 1
1 388 . 17 1 1 A 38 38 ARG H H 38 7.244 8.007 -0.763 1
1 389 . 17 1 1 A 38 38 ARG CA C 38 58.258 59.454 -1.196 1
1 390 . 17 1 1 A 38 38 ARG HA H 38 4.129 3.906 0.223 1
1 391 . 17 1 1 A 38 38 ARG CB C 38 30.054 29.721 0.333 1
1 400 . 17 1 1 A 38 38 ARG C C 38 177.863 178.922 -1.059 1
1 401 . 17 1 1 A 39 39 THR N N 39 109.313 112.516 -3.203 1
1 402 . 17 1 1 A 39 39 THR H H 39 7.639 8.073 -0.434 1
1 403 . 17 1 1 A 39 39 THR CA C 39 63.892 64.665 -0.773 1
1 404 . 17 1 1 A 39 39 THR HA H 39 4.075 3.996 0.079 1
1 405 . 17 1 1 A 39 39 THR CB C 39 69.337 68.244 1.093 1
1 411 . 17 1 1 A 39 39 THR C C 39 175.843 175.008 0.835 1
1 412 . 17 1 1 A 40 40 HIS N N 40 119.019 119.412 -0.393 1
1 413 . 17 1 1 A 40 40 HIS H H 40 7.046 7.799 -0.753 1
1 414 . 17 1 1 A 40 40 HIS CA C 40 55.942 53.887 2.055 1
1 415 . 17 1 1 A 40 40 HIS HA H 40 4.410 4.519 -0.109 1
1 416 . 17 1 1 A 40 40 HIS CB C 40 27.446 26.815 0.631 1
1 423 . 17 1 1 A 40 40 HIS C C 40 175.528 174.779 0.749 1
1 424 . 17 1 1 A 41 41 THR N N 41 111.847 112.760 -0.913 1
1 425 . 17 1 1 A 41 41 THR H H 41 7.579 8.226 -0.647 1
1 426 . 17 1 1 A 41 41 THR CA C 41 62.200 62.238 -0.038 1
1 427 . 17 1 1 A 41 41 THR HA H 41 4.152 4.329 -0.177 1
1 428 . 17 1 1 A 41 41 THR CB C 41 69.440 70.242 -0.802 1
1 434 . 17 1 1 A 41 41 THR C C 41 174.484 174.263 0.221 1
1 435 . 17 1 1 A 42 42 ASP N N 42 122.207 119.469 2.738 1
1 436 . 17 1 1 A 42 42 ASP H H 42 8.191 7.756 0.435 1
1 437 . 17 1 1 A 42 42 ASP CA C 42 54.373 54.184 0.189 1
1 438 . 17 1 1 A 42 42 ASP HA H 42 4.524 4.932 -0.408 1
1 439 . 17 1 1 A 42 42 ASP CB C 42 41.045 44.455 -3.410 1
1 442 . 17 1 1 A 42 42 ASP C C 42 175.869 174.337 1.532 1
1 443 . 17 1 1 A 43 43 GLU N N 43 120.562 122.960 -2.398 1
1 444 . 17 1 1 A 43 43 GLU H H 43 8.064 9.080 -1.016 1
1 445 . 17 1 1 A 43 43 GLU CA C 43 57.378 55.998 1.380 1
1 446 . 17 1 1 A 43 43 GLU HA H 43 4.098 4.647 -0.549 1
1 447 . 17 1 1 A 43 43 GLU CB C 43 30.262 30.276 -0.014 1
1 453 . 17 1 1 A 43 43 GLU C C 43 176.313 174.569 1.744 1
1 454 . 17 1 1 A 44 44 ARG N N 44 120.015 119.646 0.369 1
1 455 . 17 1 1 A 44 44 ARG H H 44 8.190 7.622 0.568 1
1 456 . 17 1 1 A 44 44 ARG CA C 44 53.266 52.323 0.943 1
1 457 . 17 1 1 A 44 44 ARG HA H 44 4.533 4.727 -0.194 1
1 458 . 17 1 1 A 44 44 ARG CB C 44 30.702 31.592 -0.890 1
1 467 . 17 1 1 A 44 44 ARG C C 44 173.360 175.166 -1.806 1
1 468 . 17 1 1 A 45 45 PRO CA C 45 63.459 64.921 -1.462 1
1 469 . 17 1 1 A 45 45 PRO HA H 45 4.298 4.309 -0.011 1
1 470 . 17 1 1 A 45 45 PRO CB C 45 32.219 31.690 0.529 1
1 479 . 17 1 1 A 45 45 PRO C C 45 176.492 175.949 0.543 1
1 480 . 17 1 1 A 46 46 TYR N N 46 119.184 118.130 1.054 1
1 481 . 17 1 1 A 46 46 TYR H H 46 7.840 7.549 0.291 1
1 482 . 17 1 1 A 46 46 TYR CA C 46 57.533 58.596 -1.063 1
1 483 . 17 1 1 A 46 46 TYR HA H 46 4.757 4.635 0.122 1
1 484 . 17 1 1 A 46 46 TYR CB C 46 38.646 38.701 -0.055 1
1 495 . 17 1 1 A 46 46 TYR C C 46 175.414 176.063 -0.649 1
1 496 . 17 1 1 A 47 47 THR N N 47 117.631 118.667 -1.036 1
1 497 . 17 1 1 A 47 47 THR H H 47 8.607 8.931 -0.324 1
1 498 . 17 1 1 A 47 47 THR CA C 47 60.593 61.190 -0.597 1
1 499 . 17 1 1 A 47 47 THR HA H 47 5.130 5.341 -0.211 1
1 500 . 17 1 1 A 47 47 THR CB C 47 71.076 71.879 -0.803 1
1 506 . 17 1 1 A 47 47 THR C C 47 173.697 173.501 0.196 1
1 507 . 17 1 1 A 48 48 CYS N N 48 127.009 126.199 0.810 1
1 508 . 17 1 1 A 48 48 CYS H H 48 9.072 8.879 0.193 1
1 509 . 17 1 1 A 48 48 CYS CA C 48 60.153 59.074 1.079 1
1 510 . 17 1 1 A 48 48 CYS HA H 48 4.422 4.669 -0.247 1
1 511 . 17 1 1 A 48 48 CYS CB C 48 29.832 28.854 0.978 1
1 514 . 17 1 1 A 48 48 CYS C C 48 176.023 174.618 1.405 1
1 515 . 17 1 1 A 49 49 ASP N N 49 129.691 122.792 6.899 1
1 516 . 17 1 1 A 49 49 ASP H H 49 9.129 9.192 -0.063 1
1 517 . 17 1 1 A 49 49 ASP CA C 49 55.499 55.228 0.271 1
1 518 . 17 1 1 A 49 49 ASP HA H 49 4.353 4.669 -0.316 1
1 519 . 17 1 1 A 49 49 ASP CB C 49 39.656 42.664 -3.008 1
1 522 . 17 1 1 A 49 49 ASP C C 49 175.094 176.143 -1.049 1
1 523 . 17 1 1 A 50 50 ILE N N 50 121.649 116.433 5.216 1
1 524 . 17 1 1 A 50 50 ILE H H 50 8.661 7.385 1.276 1
1 525 . 17 1 1 A 50 50 ILE CA C 50 62.888 62.610 0.278 1
1 526 . 17 1 1 A 50 50 ILE HA H 50 3.837 3.889 -0.052 1
1 527 . 17 1 1 A 50 50 ILE CB C 50 38.652 38.099 0.553 1
1 540 . 17 1 1 A 50 50 ILE C C 50 176.439 177.629 -1.190 1
1 541 . 17 1 1 A 51 51 CYS N N 51 116.341 117.303 -0.962 1
1 542 . 17 1 1 A 51 51 CYS H H 51 7.973 7.722 0.251 1
1 543 . 17 1 1 A 51 51 CYS CA C 51 58.192 59.574 -1.382 1
1 544 . 17 1 1 A 51 51 CYS HA H 51 4.922 4.435 0.487 1
1 545 . 17 1 1 A 51 51 CYS CB C 51 32.086 27.865 4.221 1
1 548 . 17 1 1 A 51 51 CYS C C 51 175.814 174.900 0.914 1
1 549 . 17 1 1 A 52 52 HIS N N 52 116.961 115.602 1.359 1
1 550 . 17 1 1 A 52 52 HIS H H 52 7.714 7.850 -0.136 1
1 551 . 17 1 1 A 52 52 HIS CA C 52 58.187 56.336 1.851 1
1 552 . 17 1 1 A 52 52 HIS HA H 52 4.521 4.196 0.325 1
1 553 . 17 1 1 A 52 52 HIS CB C 52 27.079 27.031 0.048 1
1 560 . 17 1 1 A 52 52 HIS C C 52 174.215 174.514 -0.299 1
1 561 . 17 1 1 A 53 53 LYS N N 53 122.651 118.501 4.150 1
1 562 . 17 1 1 A 53 53 LYS H H 53 7.902 8.241 -0.339 1
1 563 . 17 1 1 A 53 53 LYS CA C 53 58.205 55.663 2.542 1
1 564 . 17 1 1 A 53 53 LYS HA H 53 4.051 4.379 -0.328 1
1 565 . 17 1 1 A 53 53 LYS CB C 53 33.868 34.081 -0.213 1
1 577 . 17 1 1 A 53 53 LYS C C 53 173.816 175.877 -2.061 1
1 578 . 17 1 1 A 54 54 ALA N N 54 124.589 120.994 3.595 1
1 579 . 17 1 1 A 54 54 ALA H H 54 7.885 8.312 -0.427 1
1 580 . 17 1 1 A 54 54 ALA CA C 54 50.573 50.249 0.324 1
1 581 . 17 1 1 A 54 54 ALA HA H 54 5.098 5.695 -0.597 1
1 582 . 17 1 1 A 54 54 ALA CB C 54 22.290 21.944 0.346 1
1 586 . 17 1 1 A 54 54 ALA C C 54 176.763 175.647 1.116 1
1 587 . 17 1 1 A 55 55 PHE N N 55 117.946 119.281 -1.335 1
1 588 . 17 1 1 A 55 55 PHE H H 55 9.044 8.488 0.556 1
1 589 . 17 1 1 A 55 55 PHE CA C 55 57.320 56.576 0.744 1
1 590 . 17 1 1 A 55 55 PHE HA H 55 4.724 4.813 -0.089 1
1 591 . 17 1 1 A 55 55 PHE CB C 55 43.710 43.425 0.285 1
1 604 . 17 1 1 A 55 55 PHE C C 55 175.251 175.602 -0.351 1
1 605 . 17 1 1 A 56 56 ARG N N 56 119.843 122.139 -2.296 1
1 606 . 17 1 1 A 56 56 ARG H H 56 9.587 8.817 0.770 1
1 607 . 17 1 1 A 56 56 ARG CA C 56 58.117 57.615 0.502 1
1 608 . 17 1 1 A 56 56 ARG HA H 56 4.603 4.139 0.464 1
1 609 . 17 1 1 A 56 56 ARG CB C 56 31.741 31.013 0.728 1
1 618 . 17 1 1 A 56 56 ARG C C 56 176.201 175.295 0.906 1
1 619 . 17 1 1 A 57 57 ARG N N 57 113.134 117.150 -4.016 1
1 620 . 17 1 1 A 57 57 ARG H H 57 7.273 7.736 -0.463 1
1 621 . 17 1 1 A 57 57 ARG CA C 57 53.978 54.453 -0.475 1
1 622 . 17 1 1 A 57 57 ARG HA H 57 4.650 4.423 0.227 1
1 623 . 17 1 1 A 57 57 ARG CB C 57 34.701 33.006 1.695 1
1 632 . 17 1 1 A 57 57 ARG C C 57 176.296 176.241 0.055 1
1 633 . 17 1 1 A 58 58 GLN N N 58 124.070 121.575 2.495 1
1 634 . 17 1 1 A 58 58 GLN H H 58 8.583 8.852 -0.269 1
1 635 . 17 1 1 A 58 58 GLN CA C 58 59.036 58.174 0.862 1
1 636 . 17 1 1 A 58 58 GLN HA H 58 3.004 4.144 -1.140 1
1 637 . 17 1 1 A 58 58 GLN CB C 58 28.229 28.345 -0.116 1
1 646 . 17 1 1 A 58 58 GLN C C 58 177.925 177.973 -0.048 1
1 647 . 17 1 1 A 59 59 ASP CA C 59 56.406 57.205 -0.799 1
1 648 . 17 1 1 A 59 59 ASP HA H 59 4.046 4.340 -0.294 1
1 649 . 17 1 1 A 59 59 ASP CB C 59 38.248 41.200 -2.952 1
1 652 . 17 1 1 A 59 59 ASP C C 59 177.698 178.621 -0.923 1
1 653 . 17 1 1 A 60 60 HIS N N 60 119.173 117.899 1.274 1
1 654 . 17 1 1 A 60 60 HIS H H 60 6.954 8.041 -1.087 1
1 655 . 17 1 1 A 60 60 HIS CA C 60 56.843 59.594 -2.751 1
1 656 . 17 1 1 A 60 60 HIS HA H 60 4.432 4.320 0.112 1
1 657 . 17 1 1 A 60 60 HIS CB C 60 31.752 30.014 1.738 1
1 664 . 17 1 1 A 60 60 HIS C C 60 178.617 177.715 0.902 1
1 665 . 17 1 1 A 61 61 LEU N N 61 120.844 121.278 -0.434 1
1 666 . 17 1 1 A 61 61 LEU H H 61 6.979 7.504 -0.525 1
1 667 . 17 1 1 A 61 61 LEU CA C 61 57.728 57.484 0.244 1
1 668 . 17 1 1 A 61 61 LEU HA H 61 3.145 3.189 -0.044 1
1 669 . 17 1 1 A 61 61 LEU CB C 61 40.153 41.138 -0.985 1
1 682 . 17 1 1 A 61 61 LEU C C 61 176.855 178.042 -1.187 1
1 683 . 17 1 1 A 62 62 ARG N N 62 120.225 119.429 0.796 1
1 684 . 17 1 1 A 62 62 ARG H H 62 8.012 8.486 -0.474 1
1 685 . 17 1 1 A 62 62 ARG CA C 62 59.526 59.863 -0.337 1
1 686 . 17 1 1 A 62 62 ARG HA H 62 3.724 3.925 -0.201 1
1 687 . 17 1 1 A 62 62 ARG CB C 62 29.388 30.016 -0.628 1
1 696 . 17 1 1 A 62 62 ARG C C 62 178.582 178.243 0.339 1
1 697 . 17 1 1 A 63 63 ASP N N 63 117.219 119.619 -2.400 1
1 698 . 17 1 1 A 63 63 ASP H H 63 7.823 7.656 0.167 1
1 699 . 17 1 1 A 63 63 ASP CA C 63 56.694 57.237 -0.543 1
1 700 . 17 1 1 A 63 63 ASP HA H 63 4.401 4.544 -0.143 1
1 701 . 17 1 1 A 63 63 ASP CB C 63 40.226 40.927 -0.701 1
1 704 . 17 1 1 A 63 63 ASP C C 63 178.560 178.511 0.049 1
1 705 . 17 1 1 A 64 64 HIS N N 64 119.185 119.944 -0.759 1
1 706 . 17 1 1 A 64 64 HIS H H 64 7.606 8.038 -0.432 1
1 707 . 17 1 1 A 64 64 HIS CA C 64 58.772 60.150 -1.378 1
1 708 . 17 1 1 A 64 64 HIS HA H 64 4.211 4.065 0.146 1
1 709 . 17 1 1 A 64 64 HIS CB C 64 28.533 30.030 -1.497 1
1 716 . 17 1 1 A 64 64 HIS C C 64 176.334 176.794 -0.460 1
1 717 . 17 1 1 A 65 65 ARG N N 65 116.490 117.508 -1.018 1
1 718 . 17 1 1 A 65 65 ARG H H 65 8.157 7.948 0.209 1
1 719 . 17 1 1 A 65 65 ARG CA C 65 59.666 58.805 0.861 1
1 720 . 17 1 1 A 65 65 ARG HA H 65 3.576 3.965 -0.389 1
1 721 . 17 1 1 A 65 65 ARG CB C 65 29.958 29.855 0.103 1
1 730 . 17 1 1 A 65 65 ARG C C 65 178.301 177.632 0.669 1
1 731 . 17 1 1 A 66 66 TYR N N 66 117.286 118.563 -1.277 1
1 732 . 17 1 1 A 66 66 TYR H H 66 7.169 8.171 -1.002 1
1 733 . 17 1 1 A 66 66 TYR CA C 66 60.186 60.990 -0.804 1
1 734 . 17 1 1 A 66 66 TYR HA H 66 4.339 4.274 0.065 1
1 735 . 17 1 1 A 66 66 TYR CB C 66 37.960 37.712 0.248 1
1 746 . 17 1 1 A 66 66 TYR C C 66 178.191 178.434 -0.243 1
1 747 . 17 1 1 A 67 67 ILE N N 67 117.609 114.811 2.798 1
1 748 . 17 1 1 A 67 67 ILE H H 67 7.883 7.888 -0.005 1
1 749 . 17 1 1 A 67 67 ILE CA C 67 63.440 63.930 -0.490 1
1 750 . 17 1 1 A 67 67 ILE HA H 67 3.836 3.794 0.042 1
1 751 . 17 1 1 A 67 67 ILE CB C 67 37.482 36.941 0.541 1
1 764 . 17 1 1 A 67 67 ILE C C 67 177.511 176.235 1.276 1
1 765 . 17 1 1 A 68 68 HIS N N 68 116.764 121.689 -4.925 1
1 766 . 17 1 1 A 68 68 HIS H H 68 7.140 7.201 -0.061 1
1 767 . 17 1 1 A 68 68 HIS CA C 68 55.340 55.455 -0.115 1
1 768 . 17 1 1 A 68 68 HIS HA H 68 4.768 4.670 0.098 1
1 769 . 17 1 1 A 68 68 HIS CB C 68 28.687 30.793 -2.106 1
1 776 . 17 1 1 A 68 68 HIS C C 68 175.627 175.163 0.464 1
1 777 . 17 1 1 A 69 69 SER N N 69 114.870 119.143 -4.273 1
1 778 . 17 1 1 A 69 69 SER H H 69 7.731 8.890 -1.159 1
1 779 . 17 1 1 A 69 69 SER CA C 69 59.200 57.898 1.302 1
1 780 . 17 1 1 A 69 69 SER HA H 69 4.379 4.454 -0.075 1
1 781 . 17 1 1 A 69 69 SER CB C 69 63.765 63.334 0.431 1
1 784 . 17 1 1 A 69 69 SER C C 69 174.692 174.245 0.447 1
1 785 . 17 1 1 A 70 70 LYS N N 70 121.978 128.415 -6.437 1
1 786 . 17 1 1 A 70 70 LYS H H 70 8.063 8.150 -0.087 1
1 787 . 17 1 1 A 70 70 LYS CA C 70 56.825 57.081 -0.256 1
1 788 . 17 1 1 A 70 70 LYS HA H 70 4.214 4.206 0.008 1
1 789 . 17 1 1 A 70 70 LYS CB C 70 32.539 33.394 -0.855 1
1 801 . 17 1 1 A 70 70 LYS C C 70 176.806 175.154 1.652 1
1 802 . 17 1 1 A 71 71 GLU N N 71 120.177 126.085 -5.908 1
1 803 . 17 1 1 A 71 71 GLU H H 71 8.008 8.701 -0.693 1
1 804 . 17 1 1 A 71 71 GLU CA C 71 56.472 54.786 1.686 1
1 805 . 17 1 1 A 71 71 GLU HA H 71 4.191 4.881 -0.690 1
1 806 . 17 1 1 A 71 71 GLU CB C 71 29.335 32.438 -3.103 1
1 811 . 17 1 1 A 71 71 GLU C C 71 176.040 174.922 1.118 1
1 812 . 17 1 1 A 72 72 LYS N N 72 121.800 127.557 -5.757 1
1 813 . 17 1 1 A 72 72 LYS H H 72 8.277 8.609 -0.332 1
1 814 . 17 1 1 A 72 72 LYS CA C 72 53.820 53.217 0.603 1
1 815 . 17 1 1 A 72 72 LYS HA H 72 4.391 4.127 0.264 1
1 816 . 17 1 1 A 72 72 LYS CB C 72 32.139 33.093 -0.954 1
1 828 . 17 1 1 A 72 72 LYS C C 72 174.768 175.543 -0.775 1
1 829 . 17 1 1 A 73 73 PRO CA C 73 63.978 64.326 -0.348 1
1 830 . 17 1 1 A 73 73 PRO HA H 73 4.144 4.373 -0.229 1
1 831 . 17 1 1 A 73 73 PRO CB C 73 31.953 31.667 0.286 1
1 840 . 17 1 1 A 73 73 PRO C C 73 176.402 176.956 -0.554 1
1 841 . 17 1 1 A 74 74 PHE N N 74 117.425 114.382 3.043 1
1 842 . 17 1 1 A 74 74 PHE H H 74 7.686 7.193 0.493 1
1 843 . 17 1 1 A 74 74 PHE CA C 74 57.020 55.536 1.484 1
1 844 . 17 1 1 A 74 74 PHE HA H 74 4.691 4.646 0.045 1
1 845 . 17 1 1 A 74 74 PHE CB C 74 39.403 38.883 0.520 1
1 856 . 17 1 1 A 74 74 PHE C C 74 174.442 174.067 0.375 1
1 857 . 17 1 1 A 75 75 LYS N N 75 123.931 123.444 0.487 1
1 858 . 17 1 1 A 75 75 LYS H H 75 8.590 8.076 0.514 1
1 859 . 17 1 1 A 75 75 LYS CA C 75 54.951 54.918 0.033 1
1 860 . 17 1 1 A 75 75 LYS HA H 75 5.021 5.037 -0.016 1
1 861 . 17 1 1 A 75 75 LYS CB C 75 35.286 36.311 -1.025 1
1 873 . 17 1 1 A 75 75 LYS C C 75 175.465 174.317 1.148 1
1 874 . 17 1 1 A 76 76 CYS N N 76 126.279 124.033 2.246 1
1 875 . 17 1 1 A 76 76 CYS H H 76 9.149 9.248 -0.099 1
1 876 . 17 1 1 A 76 76 CYS CA C 76 59.553 59.595 -0.042 1
1 877 . 17 1 1 A 76 76 CYS HA H 76 4.462 4.503 -0.041 1
1 878 . 17 1 1 A 76 76 CYS CB C 76 29.772 28.784 0.988 1
1 881 . 17 1 1 A 76 76 CYS C C 76 177.367 174.638 2.729 1
1 882 . 17 1 1 A 77 77 GLN CA C 77 58.117 56.716 1.401 1
1 883 . 17 1 1 A 77 77 GLN HA H 77 4.130 4.471 -0.341 1
1 884 . 17 1 1 A 77 77 GLN CB C 77 28.479 29.382 -0.903 1
1 893 . 17 1 1 A 77 77 GLN C C 77 176.283 178.045 -1.762 1
1 894 . 17 1 1 A 78 78 GLU N N 78 120.320 119.345 0.975 1
1 895 . 17 1 1 A 78 78 GLU H H 78 8.682 8.001 0.681 1
1 896 . 17 1 1 A 78 78 GLU CA C 78 58.540 58.807 -0.267 1
1 897 . 17 1 1 A 78 78 GLU HA H 78 4.165 4.040 0.125 1
1 898 . 17 1 1 A 78 78 GLU CB C 78 29.469 29.048 0.421 1
1 904 . 17 1 1 A 78 78 GLU C C 78 177.275 178.393 -1.118 1
1 905 . 17 1 1 A 79 79 CYS N N 79 114.728 114.715 0.013 1
1 906 . 17 1 1 A 79 79 CYS H H 79 8.018 7.214 0.804 1
1 907 . 17 1 1 A 79 79 CYS CA C 79 58.271 59.754 -1.483 1
1 908 . 17 1 1 A 79 79 CYS HA H 79 5.142 4.544 0.598 1
1 909 . 17 1 1 A 79 79 CYS CB C 79 32.339 29.514 2.825 1
1 912 . 17 1 1 A 79 79 CYS C C 79 176.280 175.491 0.789 1
1 913 . 17 1 1 A 80 80 GLY N N 80 113.675 111.032 2.643 1
1 914 . 17 1 1 A 80 80 GLY H H 80 8.133 8.191 -0.058 1
1 915 . 17 1 1 A 80 80 GLY CA C 80 46.206 46.860 -0.654 1
1 916 . 17 1 1 A 80 80 GLY HA2 H 80 4.213 3.965 0.248 1
1 917 . 17 1 1 A 80 80 GLY HA3 H 80 3.755 4.041 -0.286 1
1 918 . 17 1 1 A 80 80 GLY C C 80 173.619 174.336 -0.717 1
1 919 . 17 1 1 A 81 81 LYS N N 81 122.811 115.206 7.605 1
1 920 . 17 1 1 A 81 81 LYS H H 81 7.945 7.968 -0.023 1
1 921 . 17 1 1 A 81 81 LYS CA C 81 58.211 54.873 3.338 1
1 922 . 17 1 1 A 81 81 LYS HA H 81 3.947 4.634 -0.687 1
1 923 . 17 1 1 A 81 81 LYS CB C 81 33.921 33.992 -0.071 1
1 935 . 17 1 1 A 81 81 LYS C C 81 174.639 176.042 -1.403 1
1 936 . 17 1 1 A 82 82 GLY N N 82 108.366 107.628 0.738 1
1 937 . 17 1 1 A 82 82 GLY H H 82 7.936 8.528 -0.592 1
1 938 . 17 1 1 A 82 82 GLY CA C 82 44.048 45.649 -1.601 1
1 939 . 17 1 1 A 82 82 GLY HA2 H 82 4.847 3.977 0.870 1
1 940 . 17 1 1 A 82 82 GLY HA3 H 82 3.291 4.069 -0.778 1
1 941 . 17 1 1 A 82 82 GLY C C 82 172.166 172.925 -0.759 1
1 942 . 17 1 1 A 83 83 PHE N N 83 117.822 124.177 -6.355 1
1 943 . 17 1 1 A 83 83 PHE H H 83 8.697 9.042 -0.345 1
1 944 . 17 1 1 A 83 83 PHE CA C 83 57.338 57.558 -0.220 1
1 945 . 17 1 1 A 83 83 PHE HA H 83 4.755 4.891 -0.136 1
1 946 . 17 1 1 A 83 83 PHE CB C 83 43.462 41.312 2.150 1
1 959 . 17 1 1 A 83 83 PHE C C 83 175.424 175.567 -0.143 1
1 960 . 17 1 1 A 84 84 CYS CA C 84 60.706 60.691 0.015 1
1 961 . 17 1 1 A 84 84 CYS HA H 84 4.608 4.576 0.032 1
1 962 . 17 1 1 A 84 84 CYS CB C 84 28.990 29.504 -0.514 1
1 965 . 17 1 1 A 84 84 CYS C C 84 174.163 173.708 0.455 1
1 966 . 17 1 1 A 85 85 GLN N N 85 114.620 120.139 -5.519 1
1 967 . 17 1 1 A 85 85 GLN H H 85 7.326 7.922 -0.596 1
1 968 . 17 1 1 A 85 85 GLN CA C 85 54.098 53.918 0.180 1
1 969 . 17 1 1 A 85 85 GLN HA H 85 4.648 4.538 0.110 1
1 970 . 17 1 1 A 85 85 GLN CB C 85 32.066 31.131 0.935 1
1 979 . 17 1 1 A 85 85 GLN C C 85 175.230 176.048 -0.818 1
1 980 . 17 1 1 A 86 86 SER CA C 86 61.164 61.639 -0.475 1
1 981 . 17 1 1 A 86 86 SER HA H 86 3.078 4.118 -1.040 1
1 982 . 17 1 1 A 86 86 SER CB C 86 61.738 63.014 -1.276 1
1 985 . 17 1 1 A 87 87 ARG CA C 87 58.886 59.020 -0.134 1
1 986 . 17 1 1 A 87 87 ARG HA H 87 4.049 4.023 0.026 1
1 987 . 17 1 1 A 87 87 ARG CB C 87 29.519 29.707 -0.188 1
1 996 . 17 1 1 A 87 87 ARG C C 87 177.520 179.086 -1.566 1
1 997 . 17 1 1 A 88 88 THR N N 88 112.500 116.250 -3.750 1
1 998 . 17 1 1 A 88 88 THR H H 88 6.796 8.149 -1.353 1
1 999 . 17 1 1 A 88 88 THR CA C 88 64.598 66.728 -2.130 1
1 1000 . 17 1 1 A 88 88 THR HA H 88 3.844 4.138 -0.294 1
1 1001 . 17 1 1 A 88 88 THR CB C 88 67.809 68.819 -1.010 1
1 1007 . 17 1 1 A 88 88 THR C C 88 177.343 176.535 0.808 1
1 1008 . 17 1 1 A 89 89 LEU N N 89 123.163 121.768 1.395 1
1 1009 . 17 1 1 A 89 89 LEU H H 89 6.898 8.066 -1.168 1
1 1010 . 17 1 1 A 89 89 LEU CA C 89 57.692 57.394 0.298 1
1 1011 . 17 1 1 A 89 89 LEU HA H 89 3.147 3.974 -0.827 1
1 1012 . 17 1 1 A 89 89 LEU CB C 89 40.133 40.802 -0.669 1
1 1025 . 17 1 1 A 89 89 LEU C C 89 176.886 178.823 -1.937 1
1 1026 . 17 1 1 A 90 90 ALA N N 90 120.747 121.764 -1.017 1
1 1027 . 17 1 1 A 90 90 ALA H H 90 7.837 8.080 -0.243 1
1 1028 . 17 1 1 A 90 90 ALA CA C 90 55.646 55.258 0.388 1
1 1029 . 17 1 1 A 90 90 ALA HA H 90 3.914 4.067 -0.153 1
1 1030 . 17 1 1 A 90 90 ALA CB C 90 17.722 18.956 -1.234 1
1 1034 . 17 1 1 A 90 90 ALA C C 90 180.692 179.381 1.311 1
1 1035 . 17 1 1 A 91 91 VAL N N 91 117.181 117.686 -0.505 1
1 1036 . 17 1 1 A 91 91 VAL H H 91 7.475 8.114 -0.639 1
1 1037 . 17 1 1 A 91 91 VAL CA C 91 65.880 65.016 0.864 1
1 1038 . 17 1 1 A 91 91 VAL HA H 91 3.662 3.852 -0.190 1
1 1039 . 17 1 1 A 91 91 VAL CB C 91 32.018 31.277 0.741 1
1 1049 . 17 1 1 A 91 91 VAL C C 91 178.708 177.391 1.317 1
1 1050 . 17 1 1 A 92 92 HIS N N 92 121.501 121.135 0.366 1
1 1051 . 17 1 1 A 92 92 HIS H H 92 7.625 7.609 0.016 1
1 1052 . 17 1 1 A 92 92 HIS CA C 92 59.553 59.445 0.108 1
1 1053 . 17 1 1 A 92 92 HIS HA H 92 4.095 4.300 -0.205 1
1 1054 . 17 1 1 A 92 92 HIS CB C 92 28.040 30.293 -2.253 1
1 1061 . 17 1 1 A 92 92 HIS C C 92 176.518 177.376 -0.858 1
1 1062 . 17 1 1 A 93 93 LYS N N 93 116.162 118.250 -2.088 1
1 1063 . 17 1 1 A 93 93 LYS H H 93 8.372 8.365 0.007 1
1 1064 . 17 1 1 A 93 93 LYS CA C 93 60.253 59.265 0.988 1
1 1065 . 17 1 1 A 93 93 LYS HA H 93 3.732 3.960 -0.228 1
1 1066 . 17 1 1 A 93 93 LYS CB C 93 32.158 32.373 -0.215 1
1 1078 . 17 1 1 A 93 93 LYS C C 93 179.211 178.729 0.482 1
1 1079 . 17 1 1 A 94 94 THR N N 94 111.607 113.282 -1.675 1
1 1080 . 17 1 1 A 94 94 THR H H 94 7.434 8.054 -0.620 1
1 1081 . 17 1 1 A 94 94 THR CA C 94 65.106 65.668 -0.562 1
1 1082 . 17 1 1 A 94 94 THR HA H 94 4.034 4.021 0.013 1
1 1083 . 17 1 1 A 94 94 THR CB C 94 69.075 68.029 1.046 1
1 1089 . 17 1 1 A 94 94 THR C C 94 176.406 176.530 -0.124 1
1 1090 . 17 1 1 A 95 95 LEU N N 95 121.689 118.389 3.300 1
1 1091 . 17 1 1 A 95 95 LEU H H 95 7.725 7.818 -0.093 1
1 1092 . 17 1 1 A 95 95 LEU CA C 95 56.680 57.422 -0.742 1
1 1093 . 17 1 1 A 95 95 LEU HA H 95 4.020 3.988 0.032 1
1 1094 . 17 1 1 A 95 95 LEU CB C 95 41.186 41.336 -0.150 1
1 1107 . 17 1 1 A 95 95 LEU C C 95 178.956 177.439 1.517 1
1 1108 . 17 1 1 A 96 96 HIS N N 96 114.750 117.064 -2.314 1
1 1109 . 17 1 1 A 96 96 HIS H H 96 7.160 7.530 -0.370 1
1 1110 . 17 1 1 A 96 96 HIS CA C 96 55.206 55.319 -0.113 1
1 1111 . 17 1 1 A 96 96 HIS HA H 96 4.730 4.613 0.117 1
1 1112 . 17 1 1 A 96 96 HIS CB C 96 28.687 29.177 -0.490 1
1 1119 . 17 1 1 A 96 96 HIS C C 96 175.230 174.066 1.164 1
1 1120 . 17 1 1 A 97 97 MET N N 97 118.984 115.685 3.299 1
1 1121 . 17 1 1 A 97 97 MET H H 97 7.626 7.412 0.214 1
1 1122 . 17 1 1 A 97 97 MET CA C 97 55.995 54.044 1.951 1
1 1123 . 17 1 1 A 97 97 MET HA H 97 4.424 4.740 -0.316 1
1 1124 . 17 1 1 A 97 97 MET CB C 97 33.065 35.369 -2.304 1
1 1134 . 17 1 1 A 97 97 MET C C 97 176.174 174.628 1.546 1
1 1135 . 17 1 1 A 98 98 GLN N N 98 120.828 118.749 2.079 1
1 1136 . 17 1 1 A 98 98 GLN H H 98 8.271 8.595 -0.324 1
1 1137 . 17 1 1 A 98 98 GLN CA C 98 55.951 54.714 1.237 1
1 1138 . 17 1 1 A 98 98 GLN HA H 98 4.382 4.801 -0.419 1
1 1139 . 17 1 1 A 98 98 GLN CB C 98 29.364 30.179 -0.815 1
1 1148 . 17 1 1 A 98 98 GLN C C 98 176.242 175.573 0.669 1
1 1149 . 17 1 1 A 99 99 THR N N 99 114.965 112.793 2.172 1
1 1150 . 17 1 1 A 99 99 THR H H 99 8.200 8.881 -0.681 1
1 1151 . 17 1 1 A 99 99 THR CA C 99 61.773 59.806 1.967 1
1 1152 . 17 1 1 A 99 99 THR HA H 99 4.374 5.204 -0.830 1
1 1153 . 17 1 1 A 99 99 THR CB C 99 69.654 72.600 -2.946 1
1 1159 . 17 1 1 A 99 99 THR C C 99 174.491 172.714 1.777 1
1 1160 . 17 1 1 A 100 100 SER N N 100 118.047 117.224 0.823 1
1 1161 . 17 1 1 A 100 100 SER H H 100 8.311 8.734 -0.423 1
1 1162 . 17 1 1 A 100 100 SER CA C 100 58.240 57.624 0.616 1
1 1163 . 17 1 1 A 100 100 SER HA H 100 4.493 5.018 -0.525 1
1 1164 . 17 1 1 A 100 100 SER CB C 100 63.843 67.217 -3.374 1
1 1167 . 17 1 1 A 100 100 SER C C 100 174.152 172.518 1.634 1
1 1168 . 17 1 1 A 101 101 SER N N 101 118.812 116.716 2.096 1
1 1169 . 17 1 1 A 101 101 SER H H 101 8.358 8.749 -0.391 1
1 1170 . 17 1 1 A 101 101 SER CA C 101 56.348 55.216 1.132 1
1 1171 . 17 1 1 A 101 101 SER HA H 101 4.773 5.243 -0.470 1
1 1172 . 17 1 1 A 101 101 SER CB C 101 63.554 64.237 -0.683 1
1 1175 . 17 1 1 A 101 101 SER C C 101 172.898 173.650 -0.752 1
1 1176 . 17 1 1 A 102 102 PRO CA C 102 63.453 62.363 1.090 1
1 1177 . 17 1 1 A 102 102 PRO HA H 102 4.485 4.678 -0.193 1
1 1178 . 17 1 1 A 102 102 PRO CB C 102 32.126 33.222 -1.096 1
1 1187 . 17 1 1 A 102 102 PRO C C 102 177.181 175.234 1.947 1
1 1188 . 17 1 1 A 103 103 THR N N 103 114.257 115.353 -1.096 1
1 1189 . 17 1 1 A 103 103 THR H H 103 8.188 8.567 -0.379 1
1 1190 . 17 1 1 A 103 103 THR CA C 103 61.748 60.682 1.066 1
1 1191 . 17 1 1 A 103 103 THR HA H 103 4.273 4.864 -0.591 1
1 1192 . 17 1 1 A 103 103 THR CB C 103 69.833 70.429 -0.596 1
1 1198 . 17 1 1 A 103 103 THR C C 103 174.258 172.270 1.988 1
1 1199 . 17 1 1 A 104 104 ALA N N 104 126.872 126.706 0.166 1
1 1200 . 17 1 1 A 104 104 ALA H H 104 8.240 8.612 -0.372 1
1 1201 . 17 1 1 A 104 104 ALA CA C 104 52.369 51.636 0.733 1
1 1202 . 17 1 1 A 104 104 ALA HA H 104 4.316 4.961 -0.645 1
1 1203 . 17 1 1 A 104 104 ALA CB C 104 19.417 22.956 -3.539 1
1 1207 . 17 1 1 A 104 104 ALA C C 104 177.129 175.878 1.251 1
1 1208 . 17 1 1 A 105 105 ALA N N 105 124.353 122.058 2.295 1
1 1209 . 17 1 1 A 105 105 ALA H H 105 8.312 8.587 -0.275 1
1 1210 . 17 1 1 A 105 105 ALA CA C 105 52.408 52.067 0.341 1
1 1211 . 17 1 1 A 105 105 ALA HA H 105 4.327 4.990 -0.663 1
1 1212 . 17 1 1 A 105 105 ALA CB C 105 19.416 20.785 -1.369 1
1 1216 . 17 1 1 A 105 105 ALA C C 105 176.902 175.750 1.152 1
1 1 . 18 1 1 A 8 8 GLY CA C 8 45.171 45.761 -0.590 1
1 2 . 18 1 1 A 8 8 GLY HA2 H 8 3.976 4.339 -0.363 1
1 3 . 18 1 1 A 8 8 GLY HA3 H 8 3.976 4.340 -0.364 1
1 4 . 18 1 1 A 8 8 GLY C C 8 173.956 171.802 2.154 1
1 5 . 18 1 1 A 9 9 ARG N N 9 120.445 119.989 0.456 1
1 6 . 18 1 1 A 9 9 ARG H H 9 8.126 8.726 -0.600 1
1 7 . 18 1 1 A 9 9 ARG CA C 9 55.873 54.290 1.583 1
1 8 . 18 1 1 A 9 9 ARG HA H 9 4.318 5.091 -0.773 1
1 9 . 18 1 1 A 9 9 ARG CB C 9 30.899 34.938 -4.039 1
1 18 . 18 1 1 A 9 9 ARG C C 9 176.192 175.003 1.189 1
1 19 . 18 1 1 A 10 10 LEU N N 10 125.156 121.421 3.735 1
1 20 . 18 1 1 A 10 10 LEU H H 10 8.357 8.779 -0.422 1
1 21 . 18 1 1 A 10 10 LEU CA C 10 53.058 51.032 2.026 1
1 22 . 18 1 1 A 10 10 LEU HA H 10 4.589 4.874 -0.285 1
1 23 . 18 1 1 A 10 10 LEU CB C 10 41.599 45.538 -3.939 1
1 36 . 18 1 1 A 10 10 LEU C C 10 175.327 174.750 0.577 1
1 37 . 18 1 1 A 11 11 PRO CA C 11 63.064 62.307 0.757 1
1 38 . 18 1 1 A 11 11 PRO HA H 11 4.416 4.601 -0.185 1
1 39 . 18 1 1 A 11 11 PRO CB C 11 32.095 33.049 -0.954 1
1 48 . 18 1 1 A 13 13 LYS CA C 13 56.353 55.759 0.594 1
1 49 . 18 1 1 A 13 13 LYS HA H 13 4.383 4.576 -0.193 1
1 50 . 18 1 1 A 13 13 LYS CB C 13 33.019 32.682 0.337 1
1 62 . 18 1 1 A 13 13 LYS C C 13 176.694 175.636 1.058 1
1 63 . 18 1 1 A 14 14 THR N N 14 115.691 111.529 4.162 1
1 64 . 18 1 1 A 14 14 THR H H 14 8.140 7.495 0.645 1
1 65 . 18 1 1 A 14 14 THR CA C 14 61.919 60.430 1.489 1
1 66 . 18 1 1 A 14 14 THR HA H 14 4.265 4.596 -0.331 1
1 67 . 18 1 1 A 14 14 THR CB C 14 69.860 70.131 -0.271 1
1 73 . 18 1 1 A 14 14 THR C C 14 174.261 172.496 1.765 1
1 74 . 18 1 1 A 15 15 LYS N N 15 124.645 124.110 0.535 1
1 75 . 18 1 1 A 15 15 LYS H H 15 8.323 8.483 -0.160 1
1 76 . 18 1 1 A 15 15 LYS CA C 15 56.226 55.775 0.451 1
1 77 . 18 1 1 A 15 15 LYS HA H 15 4.278 4.569 -0.291 1
1 78 . 18 1 1 A 15 15 LYS CB C 15 33.220 32.056 1.164 1
1 90 . 18 1 1 A 15 15 LYS C C 15 175.921 175.645 0.276 1
1 91 . 18 1 1 A 16 16 LYS N N 16 123.830 120.547 3.283 1
1 92 . 18 1 1 A 16 16 LYS H H 16 8.332 7.627 0.705 1
1 93 . 18 1 1 A 16 16 LYS CA C 16 55.966 54.685 1.281 1
1 94 . 18 1 1 A 16 16 LYS HA H 16 4.192 4.910 -0.718 1
1 95 . 18 1 1 A 16 16 LYS CB C 16 33.028 35.263 -2.235 1
1 107 . 18 1 1 A 16 16 LYS C C 16 175.334 174.860 0.474 1
1 108 . 18 1 1 A 17 17 GLU N N 17 121.077 121.641 -0.564 1
1 109 . 18 1 1 A 17 17 GLU H H 17 7.931 8.764 -0.833 1
1 110 . 18 1 1 A 17 17 GLU CA C 17 55.463 54.608 0.855 1
1 111 . 18 1 1 A 17 17 GLU HA H 17 4.300 4.735 -0.435 1
1 112 . 18 1 1 A 17 17 GLU CB C 17 31.984 33.475 -1.491 1
1 118 . 18 1 1 A 17 17 GLU C C 17 174.646 173.470 1.176 1
1 119 . 18 1 1 A 18 18 PHE N N 18 121.605 116.530 5.075 1
1 120 . 18 1 1 A 18 18 PHE H H 18 8.560 8.489 0.071 1
1 121 . 18 1 1 A 18 18 PHE CA C 18 56.963 56.588 0.375 1
1 122 . 18 1 1 A 18 18 PHE HA H 18 4.675 5.294 -0.619 1
1 123 . 18 1 1 A 18 18 PHE CB C 18 39.653 43.651 -3.998 1
1 134 . 18 1 1 A 18 18 PHE C C 18 173.933 174.874 -0.941 1
1 135 . 18 1 1 A 19 19 ILE N N 19 123.977 119.493 4.484 1
1 136 . 18 1 1 A 19 19 ILE H H 19 8.425 8.863 -0.438 1
1 137 . 18 1 1 A 19 19 ILE CA C 19 59.740 60.054 -0.314 1
1 138 . 18 1 1 A 19 19 ILE HA H 19 4.654 5.064 -0.410 1
1 139 . 18 1 1 A 19 19 ILE CB C 19 41.000 41.780 -0.780 1
1 152 . 18 1 1 A 19 19 ILE C C 19 175.584 174.942 0.642 1
1 153 . 18 1 1 A 20 20 CYS N N 20 129.741 127.188 2.553 1
1 154 . 18 1 1 A 20 20 CYS H H 20 9.224 9.433 -0.209 1
1 155 . 18 1 1 A 20 20 CYS CA C 20 59.974 59.487 0.487 1
1 156 . 18 1 1 A 20 20 CYS HA H 20 4.827 4.555 0.272 1
1 157 . 18 1 1 A 20 20 CYS CB C 20 30.335 28.943 1.392 1
1 160 . 18 1 1 A 20 20 CYS C C 20 178.043 175.445 2.598 1
1 161 . 18 1 1 A 21 21 LYS N N 21 132.598 121.885 10.713 1
1 162 . 18 1 1 A 21 21 LYS H H 21 9.473 8.576 0.897 1
1 163 . 18 1 1 A 21 21 LYS CA C 21 58.099 56.805 1.294 1
1 164 . 18 1 1 A 21 21 LYS HA H 21 4.104 4.529 -0.425 1
1 165 . 18 1 1 A 21 21 LYS CB C 21 31.695 34.217 -2.522 1
1 177 . 18 1 1 A 21 21 LYS C C 21 175.765 178.283 -2.518 1
1 178 . 18 1 1 A 22 22 PHE N N 22 121.000 118.520 2.480 1
1 179 . 18 1 1 A 22 22 PHE H H 22 9.158 8.381 0.777 1
1 180 . 18 1 1 A 22 22 PHE CA C 22 59.743 59.669 0.074 1
1 181 . 18 1 1 A 22 22 PHE HA H 22 4.394 4.282 0.112 1
1 182 . 18 1 1 A 22 22 PHE CB C 22 37.953 37.562 0.391 1
1 195 . 18 1 1 A 22 22 PHE C C 22 176.819 177.408 -0.589 1
1 196 . 18 1 1 A 23 23 CYS N N 23 115.955 113.620 2.335 1
1 197 . 18 1 1 A 23 23 CYS H H 23 8.410 8.170 0.240 1
1 198 . 18 1 1 A 23 23 CYS CA C 23 58.486 59.615 -1.129 1
1 199 . 18 1 1 A 23 23 CYS HA H 23 5.262 4.728 0.534 1
1 200 . 18 1 1 A 23 23 CYS CB C 23 33.092 30.208 2.884 1
1 203 . 18 1 1 A 23 23 CYS C C 23 176.770 175.997 0.773 1
1 204 . 18 1 1 A 24 24 GLY N N 24 112.575 110.595 1.980 1
1 205 . 18 1 1 A 24 24 GLY H H 24 8.092 8.313 -0.221 1
1 206 . 18 1 1 A 24 24 GLY CA C 24 46.302 45.912 0.390 1
1 207 . 18 1 1 A 24 24 GLY HA2 H 24 4.238 3.926 0.312 1
1 208 . 18 1 1 A 24 24 GLY HA3 H 24 3.776 3.936 -0.160 1
1 209 . 18 1 1 A 24 24 GLY C C 24 173.621 174.641 -1.020 1
1 210 . 18 1 1 A 25 25 ARG N N 25 122.678 121.877 0.801 1
1 211 . 18 1 1 A 25 25 ARG H H 25 8.079 8.089 -0.010 1
1 212 . 18 1 1 A 25 25 ARG CA C 25 58.063 55.993 2.070 1
1 213 . 18 1 1 A 25 25 ARG HA H 25 4.096 4.467 -0.371 1
1 214 . 18 1 1 A 25 25 ARG CB C 25 31.628 31.543 0.085 1
1 223 . 18 1 1 A 25 25 ARG C C 25 174.641 175.178 -0.537 1
1 224 . 18 1 1 A 26 26 HIS N N 26 121.510 121.840 -0.330 1
1 225 . 18 1 1 A 26 26 HIS H H 26 8.454 8.781 -0.327 1
1 226 . 18 1 1 A 26 26 HIS CA C 26 55.553 54.612 0.941 1
1 227 . 18 1 1 A 26 26 HIS HA H 26 5.166 5.360 -0.194 1
1 228 . 18 1 1 A 26 26 HIS CB C 26 32.066 32.390 -0.324 1
1 235 . 18 1 1 A 26 26 HIS C C 26 174.732 173.774 0.958 1
1 236 . 18 1 1 A 27 27 PHE N N 27 119.065 118.772 0.293 1
1 237 . 18 1 1 A 27 27 PHE H H 27 9.035 8.865 0.170 1
1 238 . 18 1 1 A 27 27 PHE CA C 27 57.515 56.760 0.755 1
1 239 . 18 1 1 A 27 27 PHE HA H 27 4.724 4.887 -0.163 1
1 240 . 18 1 1 A 27 27 PHE CB C 27 43.276 43.837 -0.561 1
1 253 . 18 1 1 A 27 27 PHE C C 27 175.205 174.961 0.244 1
1 254 . 18 1 1 A 28 28 THR CA C 28 62.856 62.225 0.631 1
1 255 . 18 1 1 A 28 28 THR HA H 28 4.691 4.591 0.100 1
1 256 . 18 1 1 A 28 28 THR CB C 28 69.897 69.969 -0.072 1
1 262 . 18 1 1 A 28 28 THR C C 28 174.714 174.798 -0.084 1
1 263 . 18 1 1 A 29 29 LYS N N 29 118.993 121.929 -2.936 1
1 264 . 18 1 1 A 29 29 LYS H H 29 7.456 7.990 -0.534 1
1 265 . 18 1 1 A 29 29 LYS CA C 29 54.239 54.573 -0.334 1
1 266 . 18 1 1 A 29 29 LYS HA H 29 4.573 4.772 -0.199 1
1 267 . 18 1 1 A 29 29 LYS CB C 29 35.412 34.792 0.620 1
1 279 . 18 1 1 A 29 29 LYS C C 29 176.395 177.499 -1.104 1
1 280 . 18 1 1 A 30 30 SER CA C 30 60.921 62.620 -1.699 1
1 281 . 18 1 1 A 30 30 SER HA H 30 3.025 4.390 -1.365 1
1 282 . 18 1 1 A 30 30 SER CB C 30 61.703 63.065 -1.362 1
1 285 . 18 1 1 A 31 31 TYR CA C 31 60.807 61.447 -0.640 1
1 286 . 18 1 1 A 31 31 TYR HA H 31 4.101 4.236 -0.135 1
1 287 . 18 1 1 A 31 31 TYR CB C 31 38.408 38.559 -0.151 1
1 298 . 18 1 1 A 31 31 TYR C C 31 176.455 177.762 -1.307 1
1 299 . 18 1 1 A 32 32 ASN N N 32 114.304 117.810 -3.506 1
1 300 . 18 1 1 A 32 32 ASN H H 32 6.481 8.306 -1.825 1
1 301 . 18 1 1 A 32 32 ASN CA C 32 55.198 56.107 -0.909 1
1 302 . 18 1 1 A 32 32 ASN HA H 32 4.283 4.663 -0.380 1
1 303 . 18 1 1 A 32 32 ASN CB C 32 37.912 39.395 -1.483 1
1 309 . 18 1 1 A 32 32 ASN C C 32 177.633 177.449 0.184 1
1 310 . 18 1 1 A 33 33 LEU N N 33 121.854 120.211 1.643 1
1 311 . 18 1 1 A 33 33 LEU H H 33 7.002 7.328 -0.326 1
1 312 . 18 1 1 A 33 33 LEU CA C 33 57.820 56.751 1.069 1
1 313 . 18 1 1 A 33 33 LEU HA H 33 2.922 2.854 0.068 1
1 314 . 18 1 1 A 33 33 LEU CB C 33 40.350 41.864 -1.514 1
1 327 . 18 1 1 A 33 33 LEU C C 33 176.900 177.992 -1.092 1
1 328 . 18 1 1 A 34 34 LEU N N 34 120.140 117.124 3.016 1
1 329 . 18 1 1 A 34 34 LEU H H 34 7.795 7.664 0.131 1
1 330 . 18 1 1 A 34 34 LEU CA C 34 58.506 58.014 0.492 1
1 331 . 18 1 1 A 34 34 LEU HA H 34 3.933 3.876 0.057 1
1 332 . 18 1 1 A 34 34 LEU CB C 34 41.523 40.971 0.552 1
1 345 . 18 1 1 A 34 34 LEU C C 34 179.914 178.928 0.986 1
1 346 . 18 1 1 A 35 35 ILE N N 35 116.693 120.517 -3.824 1
1 347 . 18 1 1 A 35 35 ILE H H 35 7.368 7.820 -0.452 1
1 348 . 18 1 1 A 35 35 ILE CA C 35 63.641 65.352 -1.711 1
1 349 . 18 1 1 A 35 35 ILE HA H 35 3.533 3.479 0.054 1
1 350 . 18 1 1 A 35 35 ILE CB C 35 37.380 38.024 -0.644 1
1 363 . 18 1 1 A 35 35 ILE C C 35 178.700 178.028 0.672 1
1 364 . 18 1 1 A 36 36 HIS N N 36 119.039 119.232 -0.193 1
1 365 . 18 1 1 A 36 36 HIS H H 36 7.424 7.916 -0.492 1
1 366 . 18 1 1 A 36 36 HIS CA C 36 59.486 60.308 -0.822 1
1 367 . 18 1 1 A 36 36 HIS HA H 36 4.282 4.093 0.189 1
1 368 . 18 1 1 A 36 36 HIS CB C 36 28.563 29.630 -1.067 1
1 375 . 18 1 1 A 36 36 HIS C C 36 178.907 176.990 1.917 1
1 376 . 18 1 1 A 37 37 GLU N N 37 122.627 117.112 5.515 1
1 377 . 18 1 1 A 37 37 GLU H H 37 9.459 7.815 1.644 1
1 378 . 18 1 1 A 37 37 GLU CA C 37 61.473 59.913 1.560 1
1 379 . 18 1 1 A 37 37 GLU HA H 37 3.922 3.659 0.263 1
1 380 . 18 1 1 A 37 37 GLU CB C 37 30.028 29.180 0.848 1
1 386 . 18 1 1 A 37 37 GLU C C 37 178.840 179.332 -0.492 1
1 387 . 18 1 1 A 38 38 ARG N N 38 116.143 120.251 -4.108 1
1 388 . 18 1 1 A 38 38 ARG H H 38 7.244 7.695 -0.451 1
1 389 . 18 1 1 A 38 38 ARG CA C 38 58.258 59.219 -0.961 1
1 390 . 18 1 1 A 38 38 ARG HA H 38 4.129 4.003 0.126 1
1 391 . 18 1 1 A 38 38 ARG CB C 38 30.054 29.867 0.187 1
1 400 . 18 1 1 A 38 38 ARG C C 38 177.863 178.821 -0.958 1
1 401 . 18 1 1 A 39 39 THR N N 39 109.313 112.699 -3.386 1
1 402 . 18 1 1 A 39 39 THR H H 39 7.639 8.213 -0.574 1
1 403 . 18 1 1 A 39 39 THR CA C 39 63.892 65.680 -1.788 1
1 404 . 18 1 1 A 39 39 THR HA H 39 4.075 3.962 0.113 1
1 405 . 18 1 1 A 39 39 THR CB C 39 69.337 68.103 1.234 1
1 411 . 18 1 1 A 39 39 THR C C 39 175.843 176.655 -0.812 1
1 412 . 18 1 1 A 40 40 HIS N N 40 119.019 119.527 -0.508 1
1 413 . 18 1 1 A 40 40 HIS H H 40 7.046 7.623 -0.577 1
1 414 . 18 1 1 A 40 40 HIS CA C 40 55.942 58.840 -2.898 1
1 415 . 18 1 1 A 40 40 HIS HA H 40 4.410 4.146 0.264 1
1 416 . 18 1 1 A 40 40 HIS CB C 40 27.446 29.491 -2.045 1
1 423 . 18 1 1 A 40 40 HIS C C 40 175.528 175.980 -0.452 1
1 424 . 18 1 1 A 41 41 THR N N 41 111.847 112.271 -0.424 1
1 425 . 18 1 1 A 41 41 THR H H 41 7.579 7.116 0.463 1
1 426 . 18 1 1 A 41 41 THR CA C 41 62.200 62.010 0.190 1
1 427 . 18 1 1 A 41 41 THR HA H 41 4.152 4.182 -0.030 1
1 428 . 18 1 1 A 41 41 THR CB C 41 69.440 69.510 -0.070 1
1 434 . 18 1 1 A 41 41 THR C C 41 174.484 173.772 0.712 1
1 435 . 18 1 1 A 42 42 ASP N N 42 122.207 125.501 -3.294 1
1 436 . 18 1 1 A 42 42 ASP H H 42 8.191 8.745 -0.554 1
1 437 . 18 1 1 A 42 42 ASP CA C 42 54.373 53.001 1.372 1
1 438 . 18 1 1 A 42 42 ASP HA H 42 4.524 5.128 -0.604 1
1 439 . 18 1 1 A 42 42 ASP CB C 42 41.045 45.501 -4.456 1
1 442 . 18 1 1 A 42 42 ASP C C 42 175.869 174.223 1.646 1
1 443 . 18 1 1 A 43 43 GLU N N 43 120.562 117.854 2.708 1
1 444 . 18 1 1 A 43 43 GLU H H 43 8.064 8.854 -0.790 1
1 445 . 18 1 1 A 43 43 GLU CA C 43 57.378 54.357 3.021 1
1 446 . 18 1 1 A 43 43 GLU HA H 43 4.098 5.055 -0.957 1
1 447 . 18 1 1 A 43 43 GLU CB C 43 30.262 33.661 -3.399 1
1 453 . 18 1 1 A 43 43 GLU C C 43 176.313 174.482 1.831 1
1 454 . 18 1 1 A 44 44 ARG N N 44 120.015 121.210 -1.195 1
1 455 . 18 1 1 A 44 44 ARG H H 44 8.190 8.573 -0.383 1
1 456 . 18 1 1 A 44 44 ARG CA C 44 53.266 52.360 0.906 1
1 457 . 18 1 1 A 44 44 ARG HA H 44 4.533 4.889 -0.356 1
1 458 . 18 1 1 A 44 44 ARG CB C 44 30.702 31.346 -0.644 1
1 467 . 18 1 1 A 44 44 ARG C C 44 173.360 175.137 -1.777 1
1 468 . 18 1 1 A 45 45 PRO CA C 45 63.459 64.967 -1.508 1
1 469 . 18 1 1 A 45 45 PRO HA H 45 4.298 4.251 0.047 1
1 470 . 18 1 1 A 45 45 PRO CB C 45 32.219 31.612 0.607 1
1 479 . 18 1 1 A 45 45 PRO C C 45 176.492 176.243 0.249 1
1 480 . 18 1 1 A 46 46 TYR N N 46 119.184 117.825 1.359 1
1 481 . 18 1 1 A 46 46 TYR H H 46 7.840 7.846 -0.006 1
1 482 . 18 1 1 A 46 46 TYR CA C 46 57.533 57.412 0.121 1
1 483 . 18 1 1 A 46 46 TYR HA H 46 4.757 4.591 0.166 1
1 484 . 18 1 1 A 46 46 TYR CB C 46 38.646 37.430 1.216 1
1 495 . 18 1 1 A 46 46 TYR C C 46 175.414 175.173 0.241 1
1 496 . 18 1 1 A 47 47 THR N N 47 117.631 119.722 -2.091 1
1 497 . 18 1 1 A 47 47 THR H H 47 8.607 8.590 0.017 1
1 498 . 18 1 1 A 47 47 THR CA C 47 60.593 61.197 -0.604 1
1 499 . 18 1 1 A 47 47 THR HA H 47 5.130 5.158 -0.028 1
1 500 . 18 1 1 A 47 47 THR CB C 47 71.076 71.269 -0.193 1
1 506 . 18 1 1 A 47 47 THR C C 47 173.697 173.725 -0.028 1
1 507 . 18 1 1 A 48 48 CYS N N 48 127.009 126.514 0.495 1
1 508 . 18 1 1 A 48 48 CYS H H 48 9.072 8.736 0.336 1
1 509 . 18 1 1 A 48 48 CYS CA C 48 60.153 59.106 1.047 1
1 510 . 18 1 1 A 48 48 CYS HA H 48 4.422 4.603 -0.181 1
1 511 . 18 1 1 A 48 48 CYS CB C 48 29.832 28.790 1.042 1
1 514 . 18 1 1 A 48 48 CYS C C 48 176.023 174.744 1.279 1
1 515 . 18 1 1 A 49 49 ASP N N 49 129.691 124.290 5.401 1
1 516 . 18 1 1 A 49 49 ASP H H 49 9.129 8.945 0.184 1
1 517 . 18 1 1 A 49 49 ASP CA C 49 55.499 55.130 0.369 1
1 518 . 18 1 1 A 49 49 ASP HA H 49 4.353 4.707 -0.354 1
1 519 . 18 1 1 A 49 49 ASP CB C 49 39.656 42.291 -2.635 1
1 522 . 18 1 1 A 49 49 ASP C C 49 175.094 177.634 -2.540 1
1 523 . 18 1 1 A 50 50 ILE N N 50 121.649 117.060 4.589 1
1 524 . 18 1 1 A 50 50 ILE H H 50 8.661 7.682 0.979 1
1 525 . 18 1 1 A 50 50 ILE CA C 50 62.888 62.876 0.012 1
1 526 . 18 1 1 A 50 50 ILE HA H 50 3.837 4.157 -0.320 1
1 527 . 18 1 1 A 50 50 ILE CB C 50 38.652 38.242 0.410 1
1 540 . 18 1 1 A 50 50 ILE C C 50 176.439 177.839 -1.400 1
1 541 . 18 1 1 A 51 51 CYS N N 51 116.341 117.763 -1.422 1
1 542 . 18 1 1 A 51 51 CYS H H 51 7.973 8.011 -0.038 1
1 543 . 18 1 1 A 51 51 CYS CA C 51 58.192 60.171 -1.979 1
1 544 . 18 1 1 A 51 51 CYS HA H 51 4.922 4.520 0.402 1
1 545 . 18 1 1 A 51 51 CYS CB C 51 32.086 27.842 4.244 1
1 548 . 18 1 1 A 51 51 CYS C C 51 175.814 175.468 0.346 1
1 549 . 18 1 1 A 52 52 HIS N N 52 116.961 119.170 -2.209 1
1 550 . 18 1 1 A 52 52 HIS H H 52 7.714 8.144 -0.430 1
1 551 . 18 1 1 A 52 52 HIS CA C 52 58.187 56.640 1.547 1
1 552 . 18 1 1 A 52 52 HIS HA H 52 4.521 4.252 0.269 1
1 553 . 18 1 1 A 52 52 HIS CB C 52 27.079 27.990 -0.911 1
1 560 . 18 1 1 A 52 52 HIS C C 52 174.215 174.040 0.175 1
1 561 . 18 1 1 A 53 53 LYS N N 53 122.651 118.814 3.837 1
1 562 . 18 1 1 A 53 53 LYS H H 53 7.902 8.156 -0.254 1
1 563 . 18 1 1 A 53 53 LYS CA C 53 58.205 55.592 2.613 1
1 564 . 18 1 1 A 53 53 LYS HA H 53 4.051 4.247 -0.196 1
1 565 . 18 1 1 A 53 53 LYS CB C 53 33.868 33.604 0.264 1
1 577 . 18 1 1 A 53 53 LYS C C 53 173.816 175.752 -1.936 1
1 578 . 18 1 1 A 54 54 ALA N N 54 124.589 122.447 2.142 1
1 579 . 18 1 1 A 54 54 ALA H H 54 7.885 8.393 -0.508 1
1 580 . 18 1 1 A 54 54 ALA CA C 54 50.573 50.142 0.431 1
1 581 . 18 1 1 A 54 54 ALA HA H 54 5.098 5.468 -0.370 1
1 582 . 18 1 1 A 54 54 ALA CB C 54 22.290 21.867 0.423 1
1 586 . 18 1 1 A 54 54 ALA C C 54 176.763 176.258 0.505 1
1 587 . 18 1 1 A 55 55 PHE N N 55 117.946 117.816 0.130 1
1 588 . 18 1 1 A 55 55 PHE H H 55 9.044 8.679 0.365 1
1 589 . 18 1 1 A 55 55 PHE CA C 55 57.320 56.852 0.468 1
1 590 . 18 1 1 A 55 55 PHE HA H 55 4.724 4.972 -0.248 1
1 591 . 18 1 1 A 55 55 PHE CB C 55 43.710 43.879 -0.169 1
1 604 . 18 1 1 A 55 55 PHE C C 55 175.251 175.483 -0.232 1
1 605 . 18 1 1 A 56 56 ARG N N 56 119.843 122.011 -2.168 1
1 606 . 18 1 1 A 56 56 ARG H H 56 9.587 8.802 0.785 1
1 607 . 18 1 1 A 56 56 ARG CA C 56 58.117 57.104 1.013 1
1 608 . 18 1 1 A 56 56 ARG HA H 56 4.603 4.448 0.155 1
1 609 . 18 1 1 A 56 56 ARG CB C 56 31.741 31.436 0.305 1
1 618 . 18 1 1 A 56 56 ARG C C 56 176.201 175.466 0.735 1
1 619 . 18 1 1 A 57 57 ARG N N 57 113.134 118.051 -4.917 1
1 620 . 18 1 1 A 57 57 ARG H H 57 7.273 7.416 -0.143 1
1 621 . 18 1 1 A 57 57 ARG CA C 57 53.978 54.491 -0.513 1
1 622 . 18 1 1 A 57 57 ARG HA H 57 4.650 4.241 0.409 1
1 623 . 18 1 1 A 57 57 ARG CB C 57 34.701 31.663 3.038 1
1 632 . 18 1 1 A 57 57 ARG C C 57 176.296 176.128 0.168 1
1 633 . 18 1 1 A 58 58 GLN N N 58 124.070 124.200 -0.130 1
1 634 . 18 1 1 A 58 58 GLN H H 58 8.583 8.685 -0.102 1
1 635 . 18 1 1 A 58 58 GLN CA C 58 59.036 59.425 -0.389 1
1 636 . 18 1 1 A 58 58 GLN HA H 58 3.004 3.643 -0.639 1
1 637 . 18 1 1 A 58 58 GLN CB C 58 28.229 28.863 -0.634 1
1 646 . 18 1 1 A 58 58 GLN C C 58 177.925 177.262 0.663 1
1 647 . 18 1 1 A 59 59 ASP CA C 59 56.406 57.616 -1.210 1
1 648 . 18 1 1 A 59 59 ASP HA H 59 4.046 4.212 -0.166 1
1 649 . 18 1 1 A 59 59 ASP CB C 59 38.248 40.258 -2.010 1
1 652 . 18 1 1 A 59 59 ASP C C 59 177.698 178.849 -1.151 1
1 653 . 18 1 1 A 60 60 HIS N N 60 119.173 118.261 0.912 1
1 654 . 18 1 1 A 60 60 HIS H H 60 6.954 8.358 -1.404 1
1 655 . 18 1 1 A 60 60 HIS CA C 60 56.843 58.892 -2.049 1
1 656 . 18 1 1 A 60 60 HIS HA H 60 4.432 4.674 -0.242 1
1 657 . 18 1 1 A 60 60 HIS CB C 60 31.752 30.118 1.634 1
1 664 . 18 1 1 A 60 60 HIS C C 60 178.617 177.499 1.118 1
1 665 . 18 1 1 A 61 61 LEU N N 61 120.844 120.588 0.256 1
1 666 . 18 1 1 A 61 61 LEU H H 61 6.979 7.897 -0.918 1
1 667 . 18 1 1 A 61 61 LEU CA C 61 57.728 57.394 0.334 1
1 668 . 18 1 1 A 61 61 LEU HA H 61 3.145 2.975 0.170 1
1 669 . 18 1 1 A 61 61 LEU CB C 61 40.153 40.899 -0.746 1
1 682 . 18 1 1 A 61 61 LEU C C 61 176.855 178.174 -1.319 1
1 683 . 18 1 1 A 62 62 ARG N N 62 120.225 119.292 0.933 1
1 684 . 18 1 1 A 62 62 ARG H H 62 8.012 8.406 -0.394 1
1 685 . 18 1 1 A 62 62 ARG CA C 62 59.526 59.884 -0.358 1
1 686 . 18 1 1 A 62 62 ARG HA H 62 3.724 3.915 -0.191 1
1 687 . 18 1 1 A 62 62 ARG CB C 62 29.388 30.012 -0.624 1
1 696 . 18 1 1 A 62 62 ARG C C 62 178.582 177.888 0.694 1
1 697 . 18 1 1 A 63 63 ASP N N 63 117.219 117.305 -0.086 1
1 698 . 18 1 1 A 63 63 ASP H H 63 7.823 8.735 -0.912 1
1 699 . 18 1 1 A 63 63 ASP CA C 63 56.694 56.845 -0.151 1
1 700 . 18 1 1 A 63 63 ASP HA H 63 4.401 4.288 0.113 1
1 701 . 18 1 1 A 63 63 ASP CB C 63 40.226 39.728 0.498 1
1 704 . 18 1 1 A 63 63 ASP C C 63 178.560 178.239 0.321 1
1 705 . 18 1 1 A 64 64 HIS N N 64 119.185 119.550 -0.365 1
1 706 . 18 1 1 A 64 64 HIS H H 64 7.606 8.485 -0.879 1
1 707 . 18 1 1 A 64 64 HIS CA C 64 58.772 60.059 -1.287 1
1 708 . 18 1 1 A 64 64 HIS HA H 64 4.211 4.152 0.059 1
1 709 . 18 1 1 A 64 64 HIS CB C 64 28.533 29.511 -0.978 1
1 716 . 18 1 1 A 64 64 HIS C C 64 176.334 176.847 -0.513 1
1 717 . 18 1 1 A 65 65 ARG N N 65 116.490 117.599 -1.109 1
1 718 . 18 1 1 A 65 65 ARG H H 65 8.157 7.924 0.233 1
1 719 . 18 1 1 A 65 65 ARG CA C 65 59.666 59.120 0.546 1
1 720 . 18 1 1 A 65 65 ARG HA H 65 3.576 4.045 -0.469 1
1 721 . 18 1 1 A 65 65 ARG CB C 65 29.958 30.007 -0.049 1
1 730 . 18 1 1 A 65 65 ARG C C 65 178.301 178.993 -0.692 1
1 731 . 18 1 1 A 66 66 TYR N N 66 117.286 118.293 -1.007 1
1 732 . 18 1 1 A 66 66 TYR H H 66 7.169 8.125 -0.956 1
1 733 . 18 1 1 A 66 66 TYR CA C 66 60.186 60.998 -0.812 1
1 734 . 18 1 1 A 66 66 TYR HA H 66 4.339 4.306 0.033 1
1 735 . 18 1 1 A 66 66 TYR CB C 66 37.960 38.053 -0.093 1
1 746 . 18 1 1 A 66 66 TYR C C 66 178.191 178.695 -0.504 1
1 747 . 18 1 1 A 67 67 ILE N N 67 117.609 118.530 -0.921 1
1 748 . 18 1 1 A 67 67 ILE H H 67 7.883 7.961 -0.078 1
1 749 . 18 1 1 A 67 67 ILE CA C 67 63.440 64.336 -0.896 1
1 750 . 18 1 1 A 67 67 ILE HA H 67 3.836 3.860 -0.024 1
1 751 . 18 1 1 A 67 67 ILE CB C 67 37.482 37.210 0.272 1
1 764 . 18 1 1 A 67 67 ILE C C 67 177.511 176.352 1.159 1
1 765 . 18 1 1 A 68 68 HIS N N 68 116.764 121.428 -4.664 1
1 766 . 18 1 1 A 68 68 HIS H H 68 7.140 7.906 -0.766 1
1 767 . 18 1 1 A 68 68 HIS CA C 68 55.340 55.405 -0.065 1
1 768 . 18 1 1 A 68 68 HIS HA H 68 4.768 4.716 0.052 1
1 769 . 18 1 1 A 68 68 HIS CB C 68 28.687 28.463 0.224 1
1 776 . 18 1 1 A 68 68 HIS C C 68 175.627 174.140 1.487 1
1 777 . 18 1 1 A 69 69 SER N N 69 114.870 118.689 -3.819 1
1 778 . 18 1 1 A 69 69 SER H H 69 7.731 8.284 -0.553 1
1 779 . 18 1 1 A 69 69 SER CA C 69 59.200 58.701 0.499 1
1 780 . 18 1 1 A 69 69 SER HA H 69 4.379 4.346 0.033 1
1 781 . 18 1 1 A 69 69 SER CB C 69 63.765 64.107 -0.342 1
1 784 . 18 1 1 A 69 69 SER C C 69 174.692 174.757 -0.065 1
1 785 . 18 1 1 A 70 70 LYS N N 70 121.978 118.132 3.846 1
1 786 . 18 1 1 A 70 70 LYS H H 70 8.063 8.811 -0.748 1
1 787 . 18 1 1 A 70 70 LYS CA C 70 56.825 57.223 -0.398 1
1 788 . 18 1 1 A 70 70 LYS HA H 70 4.214 3.748 0.466 1
1 789 . 18 1 1 A 70 70 LYS CB C 70 32.539 29.900 2.639 1
1 801 . 18 1 1 A 70 70 LYS C C 70 176.806 174.905 1.901 1
1 802 . 18 1 1 A 71 71 GLU N N 71 120.177 117.037 3.140 1
1 803 . 18 1 1 A 71 71 GLU H H 71 8.008 7.568 0.440 1
1 804 . 18 1 1 A 71 71 GLU CA C 71 56.472 55.001 1.471 1
1 805 . 18 1 1 A 71 71 GLU HA H 71 4.191 4.613 -0.422 1
1 806 . 18 1 1 A 71 71 GLU CB C 71 29.335 31.802 -2.467 1
1 811 . 18 1 1 A 71 71 GLU C C 71 176.040 175.096 0.944 1
1 812 . 18 1 1 A 72 72 LYS N N 72 121.800 125.741 -3.941 1
1 813 . 18 1 1 A 72 72 LYS H H 72 8.277 8.725 -0.448 1
1 814 . 18 1 1 A 72 72 LYS CA C 72 53.820 51.895 1.925 1
1 815 . 18 1 1 A 72 72 LYS HA H 72 4.391 4.420 -0.029 1
1 816 . 18 1 1 A 72 72 LYS CB C 72 32.139 32.321 -0.182 1
1 828 . 18 1 1 A 72 72 LYS C C 72 174.768 175.707 -0.939 1
1 829 . 18 1 1 A 73 73 PRO CA C 73 63.978 64.514 -0.536 1
1 830 . 18 1 1 A 73 73 PRO HA H 73 4.144 4.398 -0.254 1
1 831 . 18 1 1 A 73 73 PRO CB C 73 31.953 31.786 0.167 1
1 840 . 18 1 1 A 73 73 PRO C C 73 176.402 176.530 -0.128 1
1 841 . 18 1 1 A 74 74 PHE N N 74 117.425 114.223 3.202 1
1 842 . 18 1 1 A 74 74 PHE H H 74 7.686 7.386 0.300 1
1 843 . 18 1 1 A 74 74 PHE CA C 74 57.020 56.475 0.545 1
1 844 . 18 1 1 A 74 74 PHE HA H 74 4.691 4.757 -0.066 1
1 845 . 18 1 1 A 74 74 PHE CB C 74 39.403 39.734 -0.331 1
1 856 . 18 1 1 A 74 74 PHE C C 74 174.442 174.432 0.010 1
1 857 . 18 1 1 A 75 75 LYS N N 75 123.931 124.351 -0.420 1
1 858 . 18 1 1 A 75 75 LYS H H 75 8.590 8.564 0.026 1
1 859 . 18 1 1 A 75 75 LYS CA C 75 54.951 55.638 -0.687 1
1 860 . 18 1 1 A 75 75 LYS HA H 75 5.021 4.781 0.240 1
1 861 . 18 1 1 A 75 75 LYS CB C 75 35.286 35.948 -0.662 1
1 873 . 18 1 1 A 75 75 LYS C C 75 175.465 174.568 0.897 1
1 874 . 18 1 1 A 76 76 CYS N N 76 126.279 124.475 1.804 1
1 875 . 18 1 1 A 76 76 CYS H H 76 9.149 9.219 -0.070 1
1 876 . 18 1 1 A 76 76 CYS CA C 76 59.553 59.956 -0.403 1
1 877 . 18 1 1 A 76 76 CYS HA H 76 4.462 4.528 -0.066 1
1 878 . 18 1 1 A 76 76 CYS CB C 76 29.772 28.988 0.784 1
1 881 . 18 1 1 A 76 76 CYS C C 76 177.367 174.877 2.490 1
1 882 . 18 1 1 A 77 77 GLN CA C 77 58.117 57.161 0.956 1
1 883 . 18 1 1 A 77 77 GLN HA H 77 4.130 4.374 -0.244 1
1 884 . 18 1 1 A 77 77 GLN CB C 77 28.479 29.372 -0.893 1
1 893 . 18 1 1 A 77 77 GLN C C 77 176.283 178.018 -1.735 1
1 894 . 18 1 1 A 78 78 GLU N N 78 120.320 118.997 1.323 1
1 895 . 18 1 1 A 78 78 GLU H H 78 8.682 7.574 1.108 1
1 896 . 18 1 1 A 78 78 GLU CA C 78 58.540 58.978 -0.438 1
1 897 . 18 1 1 A 78 78 GLU HA H 78 4.165 3.950 0.215 1
1 898 . 18 1 1 A 78 78 GLU CB C 78 29.469 28.635 0.834 1
1 904 . 18 1 1 A 78 78 GLU C C 78 177.275 178.679 -1.404 1
1 905 . 18 1 1 A 79 79 CYS N N 79 114.728 114.814 -0.086 1
1 906 . 18 1 1 A 79 79 CYS H H 79 8.018 7.364 0.654 1
1 907 . 18 1 1 A 79 79 CYS CA C 79 58.271 59.957 -1.686 1
1 908 . 18 1 1 A 79 79 CYS HA H 79 5.142 4.508 0.634 1
1 909 . 18 1 1 A 79 79 CYS CB C 79 32.339 29.130 3.209 1
1 912 . 18 1 1 A 79 79 CYS C C 79 176.280 175.463 0.817 1
1 913 . 18 1 1 A 80 80 GLY N N 80 113.675 110.648 3.027 1
1 914 . 18 1 1 A 80 80 GLY H H 80 8.133 8.256 -0.123 1
1 915 . 18 1 1 A 80 80 GLY CA C 80 46.206 46.791 -0.585 1
1 916 . 18 1 1 A 80 80 GLY HA2 H 80 4.213 3.964 0.249 1
1 917 . 18 1 1 A 80 80 GLY HA3 H 80 3.755 4.015 -0.260 1
1 918 . 18 1 1 A 80 80 GLY C C 80 173.619 174.511 -0.892 1
1 919 . 18 1 1 A 81 81 LYS N N 81 122.811 119.264 3.547 1
1 920 . 18 1 1 A 81 81 LYS H H 81 7.945 7.873 0.072 1
1 921 . 18 1 1 A 81 81 LYS CA C 81 58.211 54.358 3.853 1
1 922 . 18 1 1 A 81 81 LYS HA H 81 3.947 4.582 -0.635 1
1 923 . 18 1 1 A 81 81 LYS CB C 81 33.921 34.214 -0.293 1
1 935 . 18 1 1 A 81 81 LYS C C 81 174.639 177.338 -2.699 1
1 936 . 18 1 1 A 82 82 GLY N N 82 108.366 109.787 -1.421 1
1 937 . 18 1 1 A 82 82 GLY H H 82 7.936 8.597 -0.661 1
1 938 . 18 1 1 A 82 82 GLY CA C 82 44.048 46.107 -2.059 1
1 939 . 18 1 1 A 82 82 GLY HA2 H 82 4.847 3.815 1.032 1
1 940 . 18 1 1 A 82 82 GLY HA3 H 82 3.291 3.839 -0.548 1
1 941 . 18 1 1 A 82 82 GLY C C 82 172.166 174.298 -2.132 1
1 942 . 18 1 1 A 83 83 PHE N N 83 117.822 119.852 -2.030 1
1 943 . 18 1 1 A 83 83 PHE H H 83 8.697 7.510 1.187 1
1 944 . 18 1 1 A 83 83 PHE CA C 83 57.338 57.942 -0.604 1
1 945 . 18 1 1 A 83 83 PHE HA H 83 4.755 4.432 0.323 1
1 946 . 18 1 1 A 83 83 PHE CB C 83 43.462 38.426 5.036 1
1 959 . 18 1 1 A 83 83 PHE C C 83 175.424 176.278 -0.854 1
1 960 . 18 1 1 A 84 84 CYS CA C 84 60.706 59.057 1.649 1
1 961 . 18 1 1 A 84 84 CYS HA H 84 4.608 4.643 -0.035 1
1 962 . 18 1 1 A 84 84 CYS CB C 84 28.990 27.168 1.822 1
1 965 . 18 1 1 A 84 84 CYS C C 84 174.163 173.867 0.296 1
1 966 . 18 1 1 A 85 85 GLN N N 85 114.620 120.337 -5.717 1
1 967 . 18 1 1 A 85 85 GLN H H 85 7.326 7.901 -0.575 1
1 968 . 18 1 1 A 85 85 GLN CA C 85 54.098 54.243 -0.145 1
1 969 . 18 1 1 A 85 85 GLN HA H 85 4.648 4.866 -0.218 1
1 970 . 18 1 1 A 85 85 GLN CB C 85 32.066 33.311 -1.245 1
1 979 . 18 1 1 A 85 85 GLN C C 85 175.230 175.305 -0.075 1
1 980 . 18 1 1 A 86 86 SER CA C 86 61.164 59.182 1.982 1
1 981 . 18 1 1 A 86 86 SER HA H 86 3.078 4.299 -1.221 1
1 982 . 18 1 1 A 86 86 SER CB C 86 61.738 65.382 -3.644 1
1 985 . 18 1 1 A 87 87 ARG CA C 87 58.886 58.889 -0.003 1
1 986 . 18 1 1 A 87 87 ARG HA H 87 4.049 4.117 -0.068 1
1 987 . 18 1 1 A 87 87 ARG CB C 87 29.519 30.276 -0.757 1
1 996 . 18 1 1 A 87 87 ARG C C 87 177.520 178.079 -0.559 1
1 997 . 18 1 1 A 88 88 THR N N 88 112.500 113.994 -1.494 1
1 998 . 18 1 1 A 88 88 THR H H 88 6.796 7.958 -1.162 1
1 999 . 18 1 1 A 88 88 THR CA C 88 64.598 65.543 -0.945 1
1 1000 . 18 1 1 A 88 88 THR HA H 88 3.844 3.903 -0.059 1
1 1001 . 18 1 1 A 88 88 THR CB C 88 67.809 68.963 -1.154 1
1 1007 . 18 1 1 A 88 88 THR C C 88 177.343 176.467 0.876 1
1 1008 . 18 1 1 A 89 89 LEU N N 89 123.163 122.508 0.655 1
1 1009 . 18 1 1 A 89 89 LEU H H 89 6.898 8.164 -1.266 1
1 1010 . 18 1 1 A 89 89 LEU CA C 89 57.692 57.663 0.029 1
1 1011 . 18 1 1 A 89 89 LEU HA H 89 3.147 3.570 -0.423 1
1 1012 . 18 1 1 A 89 89 LEU CB C 89 40.133 41.240 -1.107 1
1 1025 . 18 1 1 A 89 89 LEU C C 89 176.886 178.367 -1.481 1
1 1026 . 18 1 1 A 90 90 ALA N N 90 120.747 120.191 0.556 1
1 1027 . 18 1 1 A 90 90 ALA H H 90 7.837 8.043 -0.206 1
1 1028 . 18 1 1 A 90 90 ALA CA C 90 55.646 54.451 1.195 1
1 1029 . 18 1 1 A 90 90 ALA HA H 90 3.914 4.110 -0.196 1
1 1030 . 18 1 1 A 90 90 ALA CB C 90 17.722 18.300 -0.578 1
1 1034 . 18 1 1 A 90 90 ALA C C 90 180.692 179.486 1.206 1
1 1035 . 18 1 1 A 91 91 VAL N N 91 117.181 117.759 -0.578 1
1 1036 . 18 1 1 A 91 91 VAL H H 91 7.475 7.941 -0.466 1
1 1037 . 18 1 1 A 91 91 VAL CA C 91 65.880 65.879 0.001 1
1 1038 . 18 1 1 A 91 91 VAL HA H 91 3.662 3.720 -0.058 1
1 1039 . 18 1 1 A 91 91 VAL CB C 91 32.018 31.636 0.382 1
1 1049 . 18 1 1 A 91 91 VAL C C 91 178.708 177.887 0.821 1
1 1050 . 18 1 1 A 92 92 HIS N N 92 121.501 119.285 2.216 1
1 1051 . 18 1 1 A 92 92 HIS H H 92 7.625 8.180 -0.555 1
1 1052 . 18 1 1 A 92 92 HIS CA C 92 59.553 59.684 -0.131 1
1 1053 . 18 1 1 A 92 92 HIS HA H 92 4.095 3.921 0.174 1
1 1054 . 18 1 1 A 92 92 HIS CB C 92 28.040 29.515 -1.475 1
1 1061 . 18 1 1 A 92 92 HIS C C 92 176.518 176.448 0.070 1
1 1062 . 18 1 1 A 93 93 LYS N N 93 116.162 116.980 -0.818 1
1 1063 . 18 1 1 A 93 93 LYS H H 93 8.372 7.585 0.787 1
1 1064 . 18 1 1 A 93 93 LYS CA C 93 60.253 59.408 0.845 1
1 1065 . 18 1 1 A 93 93 LYS HA H 93 3.732 3.619 0.113 1
1 1066 . 18 1 1 A 93 93 LYS CB C 93 32.158 32.378 -0.220 1
1 1078 . 18 1 1 A 93 93 LYS C C 93 179.211 178.330 0.881 1
1 1079 . 18 1 1 A 94 94 THR N N 94 111.607 112.740 -1.133 1
1 1080 . 18 1 1 A 94 94 THR H H 94 7.434 8.242 -0.808 1
1 1081 . 18 1 1 A 94 94 THR CA C 94 65.106 65.673 -0.567 1
1 1082 . 18 1 1 A 94 94 THR HA H 94 4.034 4.213 -0.179 1
1 1083 . 18 1 1 A 94 94 THR CB C 94 69.075 68.117 0.958 1
1 1089 . 18 1 1 A 94 94 THR C C 94 176.406 177.248 -0.842 1
1 1090 . 18 1 1 A 95 95 LEU N N 95 121.689 123.142 -1.453 1
1 1091 . 18 1 1 A 95 95 LEU H H 95 7.725 8.124 -0.399 1
1 1092 . 18 1 1 A 95 95 LEU CA C 95 56.680 58.149 -1.469 1
1 1093 . 18 1 1 A 95 95 LEU HA H 95 4.020 3.852 0.168 1
1 1094 . 18 1 1 A 95 95 LEU CB C 95 41.186 41.539 -0.353 1
1 1107 . 18 1 1 A 95 95 LEU C C 95 178.956 179.500 -0.544 1
1 1108 . 18 1 1 A 96 96 HIS N N 96 114.750 115.849 -1.099 1
1 1109 . 18 1 1 A 96 96 HIS H H 96 7.160 7.728 -0.568 1
1 1110 . 18 1 1 A 96 96 HIS CA C 96 55.206 58.158 -2.952 1
1 1111 . 18 1 1 A 96 96 HIS HA H 96 4.730 4.445 0.285 1
1 1112 . 18 1 1 A 96 96 HIS CB C 96 28.687 29.573 -0.886 1
1 1119 . 18 1 1 A 96 96 HIS C C 96 175.230 175.500 -0.270 1
1 1120 . 18 1 1 A 97 97 MET N N 97 118.984 113.592 5.392 1
1 1121 . 18 1 1 A 97 97 MET H H 97 7.626 8.218 -0.592 1
1 1122 . 18 1 1 A 97 97 MET CA C 97 55.995 53.453 2.542 1
1 1123 . 18 1 1 A 97 97 MET HA H 97 4.424 5.026 -0.602 1
1 1124 . 18 1 1 A 97 97 MET CB C 97 33.065 34.811 -1.746 1
1 1134 . 18 1 1 A 97 97 MET C C 97 176.174 174.886 1.288 1
1 1135 . 18 1 1 A 98 98 GLN N N 98 120.828 120.560 0.268 1
1 1136 . 18 1 1 A 98 98 GLN H H 98 8.271 9.076 -0.805 1
1 1137 . 18 1 1 A 98 98 GLN CA C 98 55.951 53.667 2.284 1
1 1138 . 18 1 1 A 98 98 GLN HA H 98 4.382 4.955 -0.573 1
1 1139 . 18 1 1 A 98 98 GLN CB C 98 29.364 32.256 -2.892 1
1 1148 . 18 1 1 A 98 98 GLN C C 98 176.242 174.403 1.839 1
1 1149 . 18 1 1 A 99 99 THR N N 99 114.965 113.199 1.766 1
1 1150 . 18 1 1 A 99 99 THR H H 99 8.200 8.341 -0.141 1
1 1151 . 18 1 1 A 99 99 THR CA C 99 61.773 60.347 1.426 1
1 1152 . 18 1 1 A 99 99 THR HA H 99 4.374 5.058 -0.684 1
1 1153 . 18 1 1 A 99 99 THR CB C 99 69.654 70.910 -1.256 1
1 1159 . 18 1 1 A 99 99 THR C C 99 174.491 174.205 0.286 1
1 1160 . 18 1 1 A 100 100 SER N N 100 118.047 115.230 2.817 1
1 1161 . 18 1 1 A 100 100 SER H H 100 8.311 8.765 -0.454 1
1 1162 . 18 1 1 A 100 100 SER CA C 100 58.240 57.495 0.745 1
1 1163 . 18 1 1 A 100 100 SER HA H 100 4.493 5.064 -0.571 1
1 1164 . 18 1 1 A 100 100 SER CB C 100 63.843 66.489 -2.646 1
1 1167 . 18 1 1 A 100 100 SER C C 100 174.152 172.526 1.626 1
1 1168 . 18 1 1 A 101 101 SER N N 101 118.812 117.113 1.699 1
1 1169 . 18 1 1 A 101 101 SER H H 101 8.358 8.698 -0.340 1
1 1170 . 18 1 1 A 101 101 SER CA C 101 56.348 55.797 0.551 1
1 1171 . 18 1 1 A 101 101 SER HA H 101 4.773 5.094 -0.321 1
1 1172 . 18 1 1 A 101 101 SER CB C 101 63.554 66.250 -2.696 1
1 1175 . 18 1 1 A 101 101 SER C C 101 172.898 172.045 0.853 1
1 1176 . 18 1 1 A 102 102 PRO CA C 102 63.453 62.372 1.081 1
1 1177 . 18 1 1 A 102 102 PRO HA H 102 4.485 4.673 -0.188 1
1 1178 . 18 1 1 A 102 102 PRO CB C 102 32.126 33.273 -1.147 1
1 1187 . 18 1 1 A 102 102 PRO C C 102 177.181 175.383 1.798 1
1 1188 . 18 1 1 A 103 103 THR N N 103 114.257 113.690 0.567 1
1 1189 . 18 1 1 A 103 103 THR H H 103 8.188 8.335 -0.147 1
1 1190 . 18 1 1 A 103 103 THR CA C 103 61.748 61.016 0.732 1
1 1191 . 18 1 1 A 103 103 THR HA H 103 4.273 4.724 -0.451 1
1 1192 . 18 1 1 A 103 103 THR CB C 103 69.833 72.297 -2.464 1
1 1198 . 18 1 1 A 103 103 THR C C 103 174.258 173.390 0.868 1
1 1199 . 18 1 1 A 104 104 ALA N N 104 126.872 126.904 -0.032 1
1 1200 . 18 1 1 A 104 104 ALA H H 104 8.240 8.708 -0.468 1
1 1201 . 18 1 1 A 104 104 ALA CA C 104 52.369 50.289 2.080 1
1 1202 . 18 1 1 A 104 104 ALA HA H 104 4.316 5.425 -1.109 1
1 1203 . 18 1 1 A 104 104 ALA CB C 104 19.417 22.572 -3.155 1
1 1207 . 18 1 1 A 104 104 ALA C C 104 177.129 175.860 1.269 1
1 1208 . 18 1 1 A 105 105 ALA N N 105 124.353 120.703 3.650 1
1 1209 . 18 1 1 A 105 105 ALA H H 105 8.312 8.540 -0.228 1
1 1210 . 18 1 1 A 105 105 ALA CA C 105 52.408 51.608 0.800 1
1 1211 . 18 1 1 A 105 105 ALA HA H 105 4.327 4.843 -0.516 1
1 1212 . 18 1 1 A 105 105 ALA CB C 105 19.416 23.219 -3.803 1
1 1216 . 18 1 1 A 105 105 ALA C C 105 176.902 175.363 1.539 1
1 1 . 19 1 1 A 8 8 GLY CA C 8 45.171 45.708 -0.537 1
1 2 . 19 1 1 A 8 8 GLY HA2 H 8 3.976 4.169 -0.193 1
1 3 . 19 1 1 A 8 8 GLY HA3 H 8 3.976 4.188 -0.212 1
1 4 . 19 1 1 A 8 8 GLY C C 8 173.956 171.809 2.147 1
1 5 . 19 1 1 A 9 9 ARG N N 9 120.445 120.185 0.260 1
1 6 . 19 1 1 A 9 9 ARG H H 9 8.126 8.592 -0.466 1
1 7 . 19 1 1 A 9 9 ARG CA C 9 55.873 54.384 1.489 1
1 8 . 19 1 1 A 9 9 ARG HA H 9 4.318 5.179 -0.861 1
1 9 . 19 1 1 A 9 9 ARG CB C 9 30.899 33.993 -3.094 1
1 18 . 19 1 1 A 9 9 ARG C C 9 176.192 174.697 1.495 1
1 19 . 19 1 1 A 10 10 LEU N N 10 125.156 123.383 1.773 1
1 20 . 19 1 1 A 10 10 LEU H H 10 8.357 8.893 -0.536 1
1 21 . 19 1 1 A 10 10 LEU CA C 10 53.058 51.318 1.740 1
1 22 . 19 1 1 A 10 10 LEU HA H 10 4.589 4.813 -0.224 1
1 23 . 19 1 1 A 10 10 LEU CB C 10 41.599 45.206 -3.607 1
1 36 . 19 1 1 A 10 10 LEU C C 10 175.327 174.339 0.988 1
1 37 . 19 1 1 A 11 11 PRO CA C 11 63.064 62.584 0.480 1
1 38 . 19 1 1 A 11 11 PRO HA H 11 4.416 4.752 -0.336 1
1 39 . 19 1 1 A 11 11 PRO CB C 11 32.095 31.755 0.340 1
1 48 . 19 1 1 A 13 13 LYS CA C 13 56.353 55.192 1.161 1
1 49 . 19 1 1 A 13 13 LYS HA H 13 4.383 4.432 -0.049 1
1 50 . 19 1 1 A 13 13 LYS CB C 13 33.019 31.035 1.984 1
1 62 . 19 1 1 A 13 13 LYS C C 13 176.694 175.988 0.706 1
1 63 . 19 1 1 A 14 14 THR N N 14 115.691 115.622 0.069 1
1 64 . 19 1 1 A 14 14 THR H H 14 8.140 8.025 0.115 1
1 65 . 19 1 1 A 14 14 THR CA C 14 61.919 62.901 -0.982 1
1 66 . 19 1 1 A 14 14 THR HA H 14 4.265 4.034 0.231 1
1 67 . 19 1 1 A 14 14 THR CB C 14 69.860 67.400 2.460 1
1 73 . 19 1 1 A 14 14 THR C C 14 174.261 174.376 -0.115 1
1 74 . 19 1 1 A 15 15 LYS N N 15 124.645 119.193 5.452 1
1 75 . 19 1 1 A 15 15 LYS H H 15 8.323 8.131 0.192 1
1 76 . 19 1 1 A 15 15 LYS CA C 15 56.226 57.430 -1.204 1
1 77 . 19 1 1 A 15 15 LYS HA H 15 4.278 4.357 -0.079 1
1 78 . 19 1 1 A 15 15 LYS CB C 15 33.220 33.983 -0.763 1
1 90 . 19 1 1 A 15 15 LYS C C 15 175.921 178.038 -2.117 1
1 91 . 19 1 1 A 16 16 LYS N N 16 123.830 115.696 8.134 1
1 92 . 19 1 1 A 16 16 LYS H H 16 8.332 7.494 0.838 1
1 93 . 19 1 1 A 16 16 LYS CA C 16 55.966 55.492 0.474 1
1 94 . 19 1 1 A 16 16 LYS HA H 16 4.192 4.413 -0.221 1
1 95 . 19 1 1 A 16 16 LYS CB C 16 33.028 32.381 0.647 1
1 107 . 19 1 1 A 16 16 LYS C C 16 175.334 175.663 -0.329 1
1 108 . 19 1 1 A 17 17 GLU N N 17 121.077 118.701 2.376 1
1 109 . 19 1 1 A 17 17 GLU H H 17 7.931 7.471 0.460 1
1 110 . 19 1 1 A 17 17 GLU CA C 17 55.463 55.113 0.350 1
1 111 . 19 1 1 A 17 17 GLU HA H 17 4.300 4.132 0.168 1
1 112 . 19 1 1 A 17 17 GLU CB C 17 31.984 30.250 1.734 1
1 118 . 19 1 1 A 17 17 GLU C C 17 174.646 175.678 -1.032 1
1 119 . 19 1 1 A 18 18 PHE N N 18 121.605 116.960 4.645 1
1 120 . 19 1 1 A 18 18 PHE H H 18 8.560 8.907 -0.347 1
1 121 . 19 1 1 A 18 18 PHE CA C 18 56.963 56.682 0.281 1
1 122 . 19 1 1 A 18 18 PHE HA H 18 4.675 5.284 -0.609 1
1 123 . 19 1 1 A 18 18 PHE CB C 18 39.653 43.114 -3.461 1
1 134 . 19 1 1 A 18 18 PHE C C 18 173.933 175.174 -1.241 1
1 135 . 19 1 1 A 19 19 ILE N N 19 123.977 119.442 4.535 1
1 136 . 19 1 1 A 19 19 ILE H H 19 8.425 8.921 -0.496 1
1 137 . 19 1 1 A 19 19 ILE CA C 19 59.740 60.004 -0.264 1
1 138 . 19 1 1 A 19 19 ILE HA H 19 4.654 4.949 -0.295 1
1 139 . 19 1 1 A 19 19 ILE CB C 19 41.000 41.613 -0.613 1
1 152 . 19 1 1 A 19 19 ILE C C 19 175.584 174.921 0.663 1
1 153 . 19 1 1 A 20 20 CYS N N 20 129.741 127.234 2.507 1
1 154 . 19 1 1 A 20 20 CYS H H 20 9.224 8.981 0.243 1
1 155 . 19 1 1 A 20 20 CYS CA C 20 59.974 59.452 0.522 1
1 156 . 19 1 1 A 20 20 CYS HA H 20 4.827 4.435 0.392 1
1 157 . 19 1 1 A 20 20 CYS CB C 20 30.335 29.087 1.248 1
1 160 . 19 1 1 A 20 20 CYS C C 20 178.043 175.540 2.503 1
1 161 . 19 1 1 A 21 21 LYS N N 21 132.598 122.538 10.060 1
1 162 . 19 1 1 A 21 21 LYS H H 21 9.473 8.461 1.012 1
1 163 . 19 1 1 A 21 21 LYS CA C 21 58.099 56.699 1.400 1
1 164 . 19 1 1 A 21 21 LYS HA H 21 4.104 4.447 -0.343 1
1 165 . 19 1 1 A 21 21 LYS CB C 21 31.695 33.947 -2.252 1
1 177 . 19 1 1 A 21 21 LYS C C 21 175.765 178.297 -2.532 1
1 178 . 19 1 1 A 22 22 PHE N N 22 121.000 118.101 2.899 1
1 179 . 19 1 1 A 22 22 PHE H H 22 9.158 8.123 1.035 1
1 180 . 19 1 1 A 22 22 PHE CA C 22 59.743 59.781 -0.038 1
1 181 . 19 1 1 A 22 22 PHE HA H 22 4.394 4.117 0.277 1
1 182 . 19 1 1 A 22 22 PHE CB C 22 37.953 37.394 0.559 1
1 195 . 19 1 1 A 22 22 PHE C C 22 176.819 176.867 -0.048 1
1 196 . 19 1 1 A 23 23 CYS N N 23 115.955 113.418 2.537 1
1 197 . 19 1 1 A 23 23 CYS H H 23 8.410 7.889 0.521 1
1 198 . 19 1 1 A 23 23 CYS CA C 23 58.486 59.348 -0.862 1
1 199 . 19 1 1 A 23 23 CYS HA H 23 5.262 4.749 0.513 1
1 200 . 19 1 1 A 23 23 CYS CB C 23 33.092 30.536 2.556 1
1 203 . 19 1 1 A 23 23 CYS C C 23 176.770 175.912 0.858 1
1 204 . 19 1 1 A 24 24 GLY N N 24 112.575 111.137 1.438 1
1 205 . 19 1 1 A 24 24 GLY H H 24 8.092 8.173 -0.081 1
1 206 . 19 1 1 A 24 24 GLY CA C 24 46.302 46.332 -0.030 1
1 207 . 19 1 1 A 24 24 GLY HA2 H 24 4.238 3.943 0.295 1
1 208 . 19 1 1 A 24 24 GLY HA3 H 24 3.776 3.946 -0.170 1
1 209 . 19 1 1 A 24 24 GLY C C 24 173.621 174.628 -1.007 1
1 210 . 19 1 1 A 25 25 ARG N N 25 122.678 121.308 1.370 1
1 211 . 19 1 1 A 25 25 ARG H H 25 8.079 7.849 0.230 1
1 212 . 19 1 1 A 25 25 ARG CA C 25 58.063 55.250 2.813 1
1 213 . 19 1 1 A 25 25 ARG HA H 25 4.096 4.628 -0.532 1
1 214 . 19 1 1 A 25 25 ARG CB C 25 31.628 31.919 -0.291 1
1 223 . 19 1 1 A 25 25 ARG C C 25 174.641 175.355 -0.714 1
1 224 . 19 1 1 A 26 26 HIS N N 26 121.510 123.229 -1.719 1
1 225 . 19 1 1 A 26 26 HIS H H 26 8.454 9.063 -0.609 1
1 226 . 19 1 1 A 26 26 HIS CA C 26 55.553 54.362 1.191 1
1 227 . 19 1 1 A 26 26 HIS HA H 26 5.166 5.516 -0.350 1
1 228 . 19 1 1 A 26 26 HIS CB C 26 32.066 32.100 -0.034 1
1 235 . 19 1 1 A 26 26 HIS C C 26 174.732 174.468 0.264 1
1 236 . 19 1 1 A 27 27 PHE N N 27 119.065 120.236 -1.171 1
1 237 . 19 1 1 A 27 27 PHE H H 27 9.035 8.840 0.195 1
1 238 . 19 1 1 A 27 27 PHE CA C 27 57.515 56.650 0.865 1
1 239 . 19 1 1 A 27 27 PHE HA H 27 4.724 4.881 -0.157 1
1 240 . 19 1 1 A 27 27 PHE CB C 27 43.276 43.577 -0.301 1
1 253 . 19 1 1 A 27 27 PHE C C 27 175.205 175.991 -0.786 1
1 254 . 19 1 1 A 28 28 THR CA C 28 62.856 63.858 -1.002 1
1 255 . 19 1 1 A 28 28 THR HA H 28 4.691 4.341 0.350 1
1 256 . 19 1 1 A 28 28 THR CB C 28 69.897 69.209 0.688 1
1 262 . 19 1 1 A 28 28 THR C C 28 174.714 175.077 -0.363 1
1 263 . 19 1 1 A 29 29 LYS N N 29 118.993 121.295 -2.302 1
1 264 . 19 1 1 A 29 29 LYS H H 29 7.456 7.977 -0.521 1
1 265 . 19 1 1 A 29 29 LYS CA C 29 54.239 54.692 -0.453 1
1 266 . 19 1 1 A 29 29 LYS HA H 29 4.573 4.741 -0.168 1
1 267 . 19 1 1 A 29 29 LYS CB C 29 35.412 34.101 1.311 1
1 279 . 19 1 1 A 29 29 LYS C C 29 176.395 177.131 -0.736 1
1 280 . 19 1 1 A 30 30 SER CA C 30 60.921 59.942 0.979 1
1 281 . 19 1 1 A 30 30 SER HA H 30 3.025 4.543 -1.518 1
1 282 . 19 1 1 A 30 30 SER CB C 30 61.703 63.904 -2.201 1
1 285 . 19 1 1 A 31 31 TYR CA C 31 60.807 60.471 0.336 1
1 286 . 19 1 1 A 31 31 TYR HA H 31 4.101 4.320 -0.219 1
1 287 . 19 1 1 A 31 31 TYR CB C 31 38.408 37.950 0.458 1
1 298 . 19 1 1 A 31 31 TYR C C 31 176.455 177.621 -1.166 1
1 299 . 19 1 1 A 32 32 ASN N N 32 114.304 119.898 -5.594 1
1 300 . 19 1 1 A 32 32 ASN H H 32 6.481 7.226 -0.745 1
1 301 . 19 1 1 A 32 32 ASN CA C 32 55.198 55.995 -0.797 1
1 302 . 19 1 1 A 32 32 ASN HA H 32 4.283 3.901 0.382 1
1 303 . 19 1 1 A 32 32 ASN CB C 32 37.912 39.075 -1.163 1
1 309 . 19 1 1 A 32 32 ASN C C 32 177.633 177.120 0.513 1
1 310 . 19 1 1 A 33 33 LEU N N 33 121.854 120.071 1.783 1
1 311 . 19 1 1 A 33 33 LEU H H 33 7.002 7.579 -0.577 1
1 312 . 19 1 1 A 33 33 LEU CA C 33 57.820 57.821 -0.001 1
1 313 . 19 1 1 A 33 33 LEU HA H 33 2.922 2.848 0.074 1
1 314 . 19 1 1 A 33 33 LEU CB C 33 40.350 41.413 -1.063 1
1 327 . 19 1 1 A 33 33 LEU C C 33 176.900 178.181 -1.281 1
1 328 . 19 1 1 A 34 34 LEU N N 34 120.140 116.955 3.185 1
1 329 . 19 1 1 A 34 34 LEU H H 34 7.795 7.696 0.099 1
1 330 . 19 1 1 A 34 34 LEU CA C 34 58.506 58.000 0.506 1
1 331 . 19 1 1 A 34 34 LEU HA H 34 3.933 4.147 -0.214 1
1 332 . 19 1 1 A 34 34 LEU CB C 34 41.523 41.547 -0.024 1
1 345 . 19 1 1 A 34 34 LEU C C 34 179.914 179.171 0.743 1
1 346 . 19 1 1 A 35 35 ILE N N 35 116.693 120.218 -3.525 1
1 347 . 19 1 1 A 35 35 ILE H H 35 7.368 7.941 -0.573 1
1 348 . 19 1 1 A 35 35 ILE CA C 35 63.641 65.218 -1.577 1
1 349 . 19 1 1 A 35 35 ILE HA H 35 3.533 3.562 -0.029 1
1 350 . 19 1 1 A 35 35 ILE CB C 35 37.380 37.819 -0.439 1
1 363 . 19 1 1 A 35 35 ILE C C 35 178.700 178.307 0.393 1
1 364 . 19 1 1 A 36 36 HIS N N 36 119.039 119.975 -0.936 1
1 365 . 19 1 1 A 36 36 HIS H H 36 7.424 7.908 -0.484 1
1 366 . 19 1 1 A 36 36 HIS CA C 36 59.486 60.230 -0.744 1
1 367 . 19 1 1 A 36 36 HIS HA H 36 4.282 4.186 0.096 1
1 368 . 19 1 1 A 36 36 HIS CB C 36 28.563 29.932 -1.369 1
1 375 . 19 1 1 A 36 36 HIS C C 36 178.907 177.149 1.758 1
1 376 . 19 1 1 A 37 37 GLU N N 37 122.627 117.571 5.056 1
1 377 . 19 1 1 A 37 37 GLU H H 37 9.459 8.089 1.370 1
1 378 . 19 1 1 A 37 37 GLU CA C 37 61.473 59.954 1.519 1
1 379 . 19 1 1 A 37 37 GLU HA H 37 3.922 3.809 0.113 1
1 380 . 19 1 1 A 37 37 GLU CB C 37 30.028 29.200 0.828 1
1 386 . 19 1 1 A 37 37 GLU C C 37 178.840 179.129 -0.289 1
1 387 . 19 1 1 A 38 38 ARG N N 38 116.143 120.218 -4.075 1
1 388 . 19 1 1 A 38 38 ARG H H 38 7.244 7.922 -0.678 1
1 389 . 19 1 1 A 38 38 ARG CA C 38 58.258 59.355 -1.097 1
1 390 . 19 1 1 A 38 38 ARG HA H 38 4.129 4.055 0.074 1
1 391 . 19 1 1 A 38 38 ARG CB C 38 30.054 29.752 0.302 1
1 400 . 19 1 1 A 38 38 ARG C C 38 177.863 178.446 -0.583 1
1 401 . 19 1 1 A 39 39 THR N N 39 109.313 112.511 -3.198 1
1 402 . 19 1 1 A 39 39 THR H H 39 7.639 8.052 -0.413 1
1 403 . 19 1 1 A 39 39 THR CA C 39 63.892 65.511 -1.619 1
1 404 . 19 1 1 A 39 39 THR HA H 39 4.075 3.897 0.178 1
1 405 . 19 1 1 A 39 39 THR CB C 39 69.337 67.841 1.496 1
1 411 . 19 1 1 A 39 39 THR C C 39 175.843 176.761 -0.918 1
1 412 . 19 1 1 A 40 40 HIS N N 40 119.019 119.281 -0.262 1
1 413 . 19 1 1 A 40 40 HIS H H 40 7.046 7.175 -0.129 1
1 414 . 19 1 1 A 40 40 HIS CA C 40 55.942 58.791 -2.849 1
1 415 . 19 1 1 A 40 40 HIS HA H 40 4.410 4.066 0.344 1
1 416 . 19 1 1 A 40 40 HIS CB C 40 27.446 29.216 -1.770 1
1 423 . 19 1 1 A 40 40 HIS C C 40 175.528 175.386 0.142 1
1 424 . 19 1 1 A 41 41 THR N N 41 111.847 111.047 0.800 1
1 425 . 19 1 1 A 41 41 THR H H 41 7.579 7.361 0.218 1
1 426 . 19 1 1 A 41 41 THR CA C 41 62.200 62.121 0.079 1
1 427 . 19 1 1 A 41 41 THR HA H 41 4.152 4.049 0.103 1
1 428 . 19 1 1 A 41 41 THR CB C 41 69.440 69.735 -0.295 1
1 434 . 19 1 1 A 41 41 THR C C 41 174.484 174.232 0.252 1
1 435 . 19 1 1 A 42 42 ASP N N 42 122.207 121.446 0.761 1
1 436 . 19 1 1 A 42 42 ASP H H 42 8.191 8.968 -0.777 1
1 437 . 19 1 1 A 42 42 ASP CA C 42 54.373 53.897 0.476 1
1 438 . 19 1 1 A 42 42 ASP HA H 42 4.524 4.947 -0.423 1
1 439 . 19 1 1 A 42 42 ASP CB C 42 41.045 41.321 -0.276 1
1 442 . 19 1 1 A 42 42 ASP C C 42 175.869 175.120 0.749 1
1 443 . 19 1 1 A 43 43 GLU N N 43 120.562 116.466 4.096 1
1 444 . 19 1 1 A 43 43 GLU H H 43 8.064 7.596 0.468 1
1 445 . 19 1 1 A 43 43 GLU CA C 43 57.378 54.775 2.603 1
1 446 . 19 1 1 A 43 43 GLU HA H 43 4.098 4.872 -0.774 1
1 447 . 19 1 1 A 43 43 GLU CB C 43 30.262 32.177 -1.915 1
1 453 . 19 1 1 A 43 43 GLU C C 43 176.313 175.215 1.098 1
1 454 . 19 1 1 A 44 44 ARG N N 44 120.015 121.416 -1.401 1
1 455 . 19 1 1 A 44 44 ARG H H 44 8.190 8.481 -0.291 1
1 456 . 19 1 1 A 44 44 ARG CA C 44 53.266 55.124 -1.858 1
1 457 . 19 1 1 A 44 44 ARG HA H 44 4.533 4.368 0.165 1
1 458 . 19 1 1 A 44 44 ARG CB C 44 30.702 30.490 0.212 1
1 467 . 19 1 1 A 44 44 ARG C C 44 173.360 176.563 -3.203 1
1 468 . 19 1 1 A 45 45 PRO CA C 45 63.459 64.349 -0.890 1
1 469 . 19 1 1 A 45 45 PRO HA H 45 4.298 4.440 -0.142 1
1 470 . 19 1 1 A 45 45 PRO CB C 45 32.219 31.533 0.686 1
1 479 . 19 1 1 A 45 45 PRO C C 45 176.492 176.065 0.427 1
1 480 . 19 1 1 A 46 46 TYR N N 46 119.184 118.431 0.753 1
1 481 . 19 1 1 A 46 46 TYR H H 46 7.840 8.257 -0.417 1
1 482 . 19 1 1 A 46 46 TYR CA C 46 57.533 56.830 0.703 1
1 483 . 19 1 1 A 46 46 TYR HA H 46 4.757 4.748 0.009 1
1 484 . 19 1 1 A 46 46 TYR CB C 46 38.646 36.246 2.400 1
1 495 . 19 1 1 A 46 46 TYR C C 46 175.414 175.062 0.352 1
1 496 . 19 1 1 A 47 47 THR N N 47 117.631 115.614 2.017 1
1 497 . 19 1 1 A 47 47 THR H H 47 8.607 7.399 1.208 1
1 498 . 19 1 1 A 47 47 THR CA C 47 60.593 61.388 -0.795 1
1 499 . 19 1 1 A 47 47 THR HA H 47 5.130 5.004 0.126 1
1 500 . 19 1 1 A 47 47 THR CB C 47 71.076 70.334 0.742 1
1 506 . 19 1 1 A 47 47 THR C C 47 173.697 174.176 -0.479 1
1 507 . 19 1 1 A 48 48 CYS N N 48 127.009 126.424 0.585 1
1 508 . 19 1 1 A 48 48 CYS H H 48 9.072 8.552 0.520 1
1 509 . 19 1 1 A 48 48 CYS CA C 48 60.153 59.080 1.073 1
1 510 . 19 1 1 A 48 48 CYS HA H 48 4.422 4.506 -0.084 1
1 511 . 19 1 1 A 48 48 CYS CB C 48 29.832 28.822 1.010 1
1 514 . 19 1 1 A 48 48 CYS C C 48 176.023 174.835 1.188 1
1 515 . 19 1 1 A 49 49 ASP N N 49 129.691 123.119 6.572 1
1 516 . 19 1 1 A 49 49 ASP H H 49 9.129 9.182 -0.053 1
1 517 . 19 1 1 A 49 49 ASP CA C 49 55.499 55.371 0.128 1
1 518 . 19 1 1 A 49 49 ASP HA H 49 4.353 4.617 -0.264 1
1 519 . 19 1 1 A 49 49 ASP CB C 49 39.656 42.577 -2.921 1
1 522 . 19 1 1 A 49 49 ASP C C 49 175.094 176.523 -1.429 1
1 523 . 19 1 1 A 50 50 ILE N N 50 121.649 116.273 5.376 1
1 524 . 19 1 1 A 50 50 ILE H H 50 8.661 7.561 1.100 1
1 525 . 19 1 1 A 50 50 ILE CA C 50 62.888 62.794 0.094 1
1 526 . 19 1 1 A 50 50 ILE HA H 50 3.837 4.193 -0.356 1
1 527 . 19 1 1 A 50 50 ILE CB C 50 38.652 39.000 -0.348 1
1 540 . 19 1 1 A 50 50 ILE C C 50 176.439 177.720 -1.281 1
1 541 . 19 1 1 A 51 51 CYS N N 51 116.341 117.730 -1.389 1
1 542 . 19 1 1 A 51 51 CYS H H 51 7.973 7.822 0.151 1
1 543 . 19 1 1 A 51 51 CYS CA C 51 58.192 60.058 -1.866 1
1 544 . 19 1 1 A 51 51 CYS HA H 51 4.922 4.507 0.415 1
1 545 . 19 1 1 A 51 51 CYS CB C 51 32.086 28.009 4.077 1
1 548 . 19 1 1 A 51 51 CYS C C 51 175.814 174.923 0.891 1
1 549 . 19 1 1 A 52 52 HIS N N 52 116.961 115.552 1.409 1
1 550 . 19 1 1 A 52 52 HIS H H 52 7.714 8.208 -0.494 1
1 551 . 19 1 1 A 52 52 HIS CA C 52 58.187 56.336 1.851 1
1 552 . 19 1 1 A 52 52 HIS HA H 52 4.521 4.178 0.343 1
1 553 . 19 1 1 A 52 52 HIS CB C 52 27.079 26.909 0.170 1
1 560 . 19 1 1 A 52 52 HIS C C 52 174.215 174.296 -0.081 1
1 561 . 19 1 1 A 53 53 LYS N N 53 122.651 118.464 4.187 1
1 562 . 19 1 1 A 53 53 LYS H H 53 7.902 8.111 -0.209 1
1 563 . 19 1 1 A 53 53 LYS CA C 53 58.205 55.323 2.882 1
1 564 . 19 1 1 A 53 53 LYS HA H 53 4.051 4.270 -0.219 1
1 565 . 19 1 1 A 53 53 LYS CB C 53 33.868 33.102 0.766 1
1 577 . 19 1 1 A 53 53 LYS C C 53 173.816 175.682 -1.866 1
1 578 . 19 1 1 A 54 54 ALA N N 54 124.589 125.916 -1.327 1
1 579 . 19 1 1 A 54 54 ALA H H 54 7.885 8.325 -0.440 1
1 580 . 19 1 1 A 54 54 ALA CA C 54 50.573 51.178 -0.605 1
1 581 . 19 1 1 A 54 54 ALA HA H 54 5.098 5.124 -0.026 1
1 582 . 19 1 1 A 54 54 ALA CB C 54 22.290 20.498 1.792 1
1 586 . 19 1 1 A 54 54 ALA C C 54 176.763 176.593 0.170 1
1 587 . 19 1 1 A 55 55 PHE N N 55 117.946 118.951 -1.005 1
1 588 . 19 1 1 A 55 55 PHE H H 55 9.044 8.723 0.321 1
1 589 . 19 1 1 A 55 55 PHE CA C 55 57.320 56.425 0.895 1
1 590 . 19 1 1 A 55 55 PHE HA H 55 4.724 4.860 -0.136 1
1 591 . 19 1 1 A 55 55 PHE CB C 55 43.710 43.933 -0.223 1
1 604 . 19 1 1 A 55 55 PHE C C 55 175.251 175.299 -0.048 1
1 605 . 19 1 1 A 56 56 ARG N N 56 119.843 118.961 0.882 1
1 606 . 19 1 1 A 56 56 ARG H H 56 9.587 8.705 0.882 1
1 607 . 19 1 1 A 56 56 ARG CA C 56 58.117 56.396 1.721 1
1 608 . 19 1 1 A 56 56 ARG HA H 56 4.603 4.295 0.308 1
1 609 . 19 1 1 A 56 56 ARG CB C 56 31.741 31.789 -0.048 1
1 618 . 19 1 1 A 56 56 ARG C C 56 176.201 175.969 0.232 1
1 619 . 19 1 1 A 57 57 ARG N N 57 113.134 119.559 -6.425 1
1 620 . 19 1 1 A 57 57 ARG H H 57 7.273 7.668 -0.395 1
1 621 . 19 1 1 A 57 57 ARG CA C 57 53.978 54.210 -0.232 1
1 622 . 19 1 1 A 57 57 ARG HA H 57 4.650 4.684 -0.034 1
1 623 . 19 1 1 A 57 57 ARG CB C 57 34.701 33.105 1.596 1
1 632 . 19 1 1 A 57 57 ARG C C 57 176.296 176.353 -0.057 1
1 633 . 19 1 1 A 58 58 GLN N N 58 124.070 123.297 0.773 1
1 634 . 19 1 1 A 58 58 GLN H H 58 8.583 9.062 -0.479 1
1 635 . 19 1 1 A 58 58 GLN CA C 58 59.036 59.280 -0.244 1
1 636 . 19 1 1 A 58 58 GLN HA H 58 3.004 4.020 -1.016 1
1 637 . 19 1 1 A 58 58 GLN CB C 58 28.229 28.576 -0.347 1
1 646 . 19 1 1 A 58 58 GLN C C 58 177.925 177.614 0.311 1
1 647 . 19 1 1 A 59 59 ASP CA C 59 56.406 57.157 -0.751 1
1 648 . 19 1 1 A 59 59 ASP HA H 59 4.046 4.267 -0.221 1
1 649 . 19 1 1 A 59 59 ASP CB C 59 38.248 40.863 -2.615 1
1 652 . 19 1 1 A 59 59 ASP C C 59 177.698 178.522 -0.824 1
1 653 . 19 1 1 A 60 60 HIS N N 60 119.173 118.183 0.990 1
1 654 . 19 1 1 A 60 60 HIS H H 60 6.954 7.867 -0.913 1
1 655 . 19 1 1 A 60 60 HIS CA C 60 56.843 59.457 -2.614 1
1 656 . 19 1 1 A 60 60 HIS HA H 60 4.432 4.332 0.100 1
1 657 . 19 1 1 A 60 60 HIS CB C 60 31.752 30.102 1.650 1
1 664 . 19 1 1 A 60 60 HIS C C 60 178.617 177.798 0.819 1
1 665 . 19 1 1 A 61 61 LEU N N 61 120.844 120.928 -0.084 1
1 666 . 19 1 1 A 61 61 LEU H H 61 6.979 8.028 -1.049 1
1 667 . 19 1 1 A 61 61 LEU CA C 61 57.728 57.590 0.138 1
1 668 . 19 1 1 A 61 61 LEU HA H 61 3.145 2.860 0.285 1
1 669 . 19 1 1 A 61 61 LEU CB C 61 40.153 40.968 -0.815 1
1 682 . 19 1 1 A 61 61 LEU C C 61 176.855 178.211 -1.356 1
1 683 . 19 1 1 A 62 62 ARG N N 62 120.225 119.114 1.111 1
1 684 . 19 1 1 A 62 62 ARG H H 62 8.012 8.286 -0.274 1
1 685 . 19 1 1 A 62 62 ARG CA C 62 59.526 59.672 -0.146 1
1 686 . 19 1 1 A 62 62 ARG HA H 62 3.724 3.975 -0.251 1
1 687 . 19 1 1 A 62 62 ARG CB C 62 29.388 29.974 -0.586 1
1 696 . 19 1 1 A 62 62 ARG C C 62 178.582 178.289 0.293 1
1 697 . 19 1 1 A 63 63 ASP N N 63 117.219 119.452 -2.233 1
1 698 . 19 1 1 A 63 63 ASP H H 63 7.823 8.189 -0.366 1
1 699 . 19 1 1 A 63 63 ASP CA C 63 56.694 57.229 -0.535 1
1 700 . 19 1 1 A 63 63 ASP HA H 63 4.401 4.335 0.066 1
1 701 . 19 1 1 A 63 63 ASP CB C 63 40.226 41.569 -1.343 1
1 704 . 19 1 1 A 63 63 ASP C C 63 178.560 178.260 0.300 1
1 705 . 19 1 1 A 64 64 HIS N N 64 119.185 119.414 -0.229 1
1 706 . 19 1 1 A 64 64 HIS H H 64 7.606 8.589 -0.983 1
1 707 . 19 1 1 A 64 64 HIS CA C 64 58.772 59.887 -1.115 1
1 708 . 19 1 1 A 64 64 HIS HA H 64 4.211 4.202 0.009 1
1 709 . 19 1 1 A 64 64 HIS CB C 64 28.533 29.639 -1.106 1
1 716 . 19 1 1 A 64 64 HIS C C 64 176.334 177.344 -1.010 1
1 717 . 19 1 1 A 65 65 ARG N N 65 116.490 118.310 -1.820 1
1 718 . 19 1 1 A 65 65 ARG H H 65 8.157 8.013 0.144 1
1 719 . 19 1 1 A 65 65 ARG CA C 65 59.666 59.391 0.275 1
1 720 . 19 1 1 A 65 65 ARG HA H 65 3.576 4.084 -0.508 1
1 721 . 19 1 1 A 65 65 ARG CB C 65 29.958 29.973 -0.015 1
1 730 . 19 1 1 A 65 65 ARG C C 65 178.301 177.865 0.436 1
1 731 . 19 1 1 A 66 66 TYR N N 66 117.286 120.217 -2.931 1
1 732 . 19 1 1 A 66 66 TYR H H 66 7.169 7.997 -0.828 1
1 733 . 19 1 1 A 66 66 TYR CA C 66 60.186 61.131 -0.945 1
1 734 . 19 1 1 A 66 66 TYR HA H 66 4.339 4.086 0.253 1
1 735 . 19 1 1 A 66 66 TYR CB C 66 37.960 38.503 -0.543 1
1 746 . 19 1 1 A 66 66 TYR C C 66 178.191 177.585 0.606 1
1 747 . 19 1 1 A 67 67 ILE N N 67 117.609 115.658 1.951 1
1 748 . 19 1 1 A 67 67 ILE H H 67 7.883 8.168 -0.285 1
1 749 . 19 1 1 A 67 67 ILE CA C 67 63.440 64.092 -0.652 1
1 750 . 19 1 1 A 67 67 ILE HA H 67 3.836 3.860 -0.024 1
1 751 . 19 1 1 A 67 67 ILE CB C 67 37.482 37.246 0.236 1
1 764 . 19 1 1 A 67 67 ILE C C 67 177.511 176.224 1.287 1
1 765 . 19 1 1 A 68 68 HIS N N 68 116.764 121.408 -4.644 1
1 766 . 19 1 1 A 68 68 HIS H H 68 7.140 8.002 -0.862 1
1 767 . 19 1 1 A 68 68 HIS CA C 68 55.340 54.907 0.433 1
1 768 . 19 1 1 A 68 68 HIS HA H 68 4.768 4.739 0.029 1
1 769 . 19 1 1 A 68 68 HIS CB C 68 28.687 28.947 -0.260 1
1 776 . 19 1 1 A 68 68 HIS C C 68 175.627 174.420 1.207 1
1 777 . 19 1 1 A 69 69 SER N N 69 114.870 120.403 -5.533 1
1 778 . 19 1 1 A 69 69 SER H H 69 7.731 8.658 -0.927 1
1 779 . 19 1 1 A 69 69 SER CA C 69 59.200 58.216 0.984 1
1 780 . 19 1 1 A 69 69 SER HA H 69 4.379 4.300 0.079 1
1 781 . 19 1 1 A 69 69 SER CB C 69 63.765 62.549 1.216 1
1 784 . 19 1 1 A 69 69 SER C C 69 174.692 173.767 0.925 1
1 785 . 19 1 1 A 70 70 LYS N N 70 121.978 127.283 -5.305 1
1 786 . 19 1 1 A 70 70 LYS H H 70 8.063 7.787 0.276 1
1 787 . 19 1 1 A 70 70 LYS CA C 70 56.825 57.178 -0.353 1
1 788 . 19 1 1 A 70 70 LYS HA H 70 4.214 4.194 0.020 1
1 789 . 19 1 1 A 70 70 LYS CB C 70 32.539 32.988 -0.449 1
1 801 . 19 1 1 A 70 70 LYS C C 70 176.806 175.956 0.850 1
1 802 . 19 1 1 A 71 71 GLU N N 71 120.177 125.304 -5.127 1
1 803 . 19 1 1 A 71 71 GLU H H 71 8.008 8.539 -0.531 1
1 804 . 19 1 1 A 71 71 GLU CA C 71 56.472 56.524 -0.052 1
1 805 . 19 1 1 A 71 71 GLU HA H 71 4.191 4.280 -0.089 1
1 806 . 19 1 1 A 71 71 GLU CB C 71 29.335 29.980 -0.645 1
1 811 . 19 1 1 A 71 71 GLU C C 71 176.040 176.084 -0.044 1
1 812 . 19 1 1 A 72 72 LYS N N 72 121.800 122.873 -1.073 1
1 813 . 19 1 1 A 72 72 LYS H H 72 8.277 8.441 -0.164 1
1 814 . 19 1 1 A 72 72 LYS CA C 72 53.820 52.248 1.572 1
1 815 . 19 1 1 A 72 72 LYS HA H 72 4.391 4.916 -0.525 1
1 816 . 19 1 1 A 72 72 LYS CB C 72 32.139 33.432 -1.293 1
1 828 . 19 1 1 A 72 72 LYS C C 72 174.768 175.893 -1.125 1
1 829 . 19 1 1 A 73 73 PRO CA C 73 63.978 64.863 -0.885 1
1 830 . 19 1 1 A 73 73 PRO HA H 73 4.144 4.561 -0.417 1
1 831 . 19 1 1 A 73 73 PRO CB C 73 31.953 32.372 -0.419 1
1 840 . 19 1 1 A 73 73 PRO C C 73 176.402 176.683 -0.281 1
1 841 . 19 1 1 A 74 74 PHE N N 74 117.425 117.409 0.016 1
1 842 . 19 1 1 A 74 74 PHE H H 74 7.686 8.011 -0.325 1
1 843 . 19 1 1 A 74 74 PHE CA C 74 57.020 56.533 0.487 1
1 844 . 19 1 1 A 74 74 PHE HA H 74 4.691 5.039 -0.348 1
1 845 . 19 1 1 A 74 74 PHE CB C 74 39.403 40.026 -0.623 1
1 856 . 19 1 1 A 74 74 PHE C C 74 174.442 174.910 -0.468 1
1 857 . 19 1 1 A 75 75 LYS N N 75 123.931 120.817 3.114 1
1 858 . 19 1 1 A 75 75 LYS H H 75 8.590 9.053 -0.463 1
1 859 . 19 1 1 A 75 75 LYS CA C 75 54.951 54.433 0.518 1
1 860 . 19 1 1 A 75 75 LYS HA H 75 5.021 5.122 -0.101 1
1 861 . 19 1 1 A 75 75 LYS CB C 75 35.286 35.836 -0.550 1
1 873 . 19 1 1 A 75 75 LYS C C 75 175.465 175.291 0.174 1
1 874 . 19 1 1 A 76 76 CYS N N 76 126.279 121.712 4.567 1
1 875 . 19 1 1 A 76 76 CYS H H 76 9.149 9.194 -0.045 1
1 876 . 19 1 1 A 76 76 CYS CA C 76 59.553 59.693 -0.140 1
1 877 . 19 1 1 A 76 76 CYS HA H 76 4.462 4.520 -0.058 1
1 878 . 19 1 1 A 76 76 CYS CB C 76 29.772 28.796 0.976 1
1 881 . 19 1 1 A 76 76 CYS C C 76 177.367 174.716 2.651 1
1 882 . 19 1 1 A 77 77 GLN CA C 77 58.117 56.817 1.300 1
1 883 . 19 1 1 A 77 77 GLN HA H 77 4.130 4.385 -0.255 1
1 884 . 19 1 1 A 77 77 GLN CB C 77 28.479 29.845 -1.366 1
1 893 . 19 1 1 A 77 77 GLN C C 77 176.283 178.089 -1.806 1
1 894 . 19 1 1 A 78 78 GLU N N 78 120.320 118.597 1.723 1
1 895 . 19 1 1 A 78 78 GLU H H 78 8.682 7.966 0.716 1
1 896 . 19 1 1 A 78 78 GLU CA C 78 58.540 58.982 -0.442 1
1 897 . 19 1 1 A 78 78 GLU HA H 78 4.165 4.026 0.139 1
1 898 . 19 1 1 A 78 78 GLU CB C 78 29.469 28.924 0.545 1
1 904 . 19 1 1 A 78 78 GLU C C 78 177.275 178.273 -0.998 1
1 905 . 19 1 1 A 79 79 CYS N N 79 114.728 114.623 0.105 1
1 906 . 19 1 1 A 79 79 CYS H H 79 8.018 7.180 0.838 1
1 907 . 19 1 1 A 79 79 CYS CA C 79 58.271 59.676 -1.405 1
1 908 . 19 1 1 A 79 79 CYS HA H 79 5.142 4.571 0.571 1
1 909 . 19 1 1 A 79 79 CYS CB C 79 32.339 29.670 2.669 1
1 912 . 19 1 1 A 79 79 CYS C C 79 176.280 175.482 0.798 1
1 913 . 19 1 1 A 80 80 GLY N N 80 113.675 111.045 2.630 1
1 914 . 19 1 1 A 80 80 GLY H H 80 8.133 8.131 0.002 1
1 915 . 19 1 1 A 80 80 GLY CA C 80 46.206 46.790 -0.584 1
1 916 . 19 1 1 A 80 80 GLY HA2 H 80 4.213 3.951 0.262 1
1 917 . 19 1 1 A 80 80 GLY HA3 H 80 3.755 4.002 -0.247 1
1 918 . 19 1 1 A 80 80 GLY C C 80 173.619 174.658 -1.039 1
1 919 . 19 1 1 A 81 81 LYS N N 81 122.811 119.264 3.547 1
1 920 . 19 1 1 A 81 81 LYS H H 81 7.945 8.161 -0.216 1
1 921 . 19 1 1 A 81 81 LYS CA C 81 58.211 54.915 3.296 1
1 922 . 19 1 1 A 81 81 LYS HA H 81 3.947 4.463 -0.516 1
1 923 . 19 1 1 A 81 81 LYS CB C 81 33.921 33.804 0.117 1
1 935 . 19 1 1 A 81 81 LYS C C 81 174.639 176.503 -1.864 1
1 936 . 19 1 1 A 82 82 GLY N N 82 108.366 109.735 -1.369 1
1 937 . 19 1 1 A 82 82 GLY H H 82 7.936 8.274 -0.338 1
1 938 . 19 1 1 A 82 82 GLY CA C 82 44.048 46.315 -2.267 1
1 939 . 19 1 1 A 82 82 GLY HA2 H 82 4.847 3.934 0.913 1
1 940 . 19 1 1 A 82 82 GLY HA3 H 82 3.291 3.981 -0.690 1
1 941 . 19 1 1 A 82 82 GLY C C 82 172.166 173.677 -1.511 1
1 942 . 19 1 1 A 83 83 PHE N N 83 117.822 121.999 -4.177 1
1 943 . 19 1 1 A 83 83 PHE H H 83 8.697 7.544 1.153 1
1 944 . 19 1 1 A 83 83 PHE CA C 83 57.338 58.004 -0.666 1
1 945 . 19 1 1 A 83 83 PHE HA H 83 4.755 4.443 0.312 1
1 946 . 19 1 1 A 83 83 PHE CB C 83 43.462 39.889 3.573 1
1 959 . 19 1 1 A 83 83 PHE C C 83 175.424 176.318 -0.894 1
1 960 . 19 1 1 A 84 84 CYS CA C 84 60.706 58.294 2.412 1
1 961 . 19 1 1 A 84 84 CYS HA H 84 4.608 4.922 -0.314 1
1 962 . 19 1 1 A 84 84 CYS CB C 84 28.990 29.667 -0.677 1
1 965 . 19 1 1 A 84 84 CYS C C 84 174.163 174.313 -0.150 1
1 966 . 19 1 1 A 85 85 GLN N N 85 114.620 120.916 -6.296 1
1 967 . 19 1 1 A 85 85 GLN H H 85 7.326 7.765 -0.439 1
1 968 . 19 1 1 A 85 85 GLN CA C 85 54.098 53.953 0.145 1
1 969 . 19 1 1 A 85 85 GLN HA H 85 4.648 4.795 -0.147 1
1 970 . 19 1 1 A 85 85 GLN CB C 85 32.066 31.390 0.676 1
1 979 . 19 1 1 A 85 85 GLN C C 85 175.230 176.353 -1.123 1
1 980 . 19 1 1 A 86 86 SER CA C 86 61.164 61.392 -0.228 1
1 981 . 19 1 1 A 86 86 SER HA H 86 3.078 4.160 -1.082 1
1 982 . 19 1 1 A 86 86 SER CB C 86 61.738 62.224 -0.486 1
1 985 . 19 1 1 A 87 87 ARG CA C 87 58.886 59.435 -0.549 1
1 986 . 19 1 1 A 87 87 ARG HA H 87 4.049 4.152 -0.103 1
1 987 . 19 1 1 A 87 87 ARG CB C 87 29.519 29.969 -0.450 1
1 996 . 19 1 1 A 87 87 ARG C C 87 177.520 179.059 -1.539 1
1 997 . 19 1 1 A 88 88 THR N N 88 112.500 118.925 -6.425 1
1 998 . 19 1 1 A 88 88 THR H H 88 6.796 7.949 -1.153 1
1 999 . 19 1 1 A 88 88 THR CA C 88 64.598 66.064 -1.466 1
1 1000 . 19 1 1 A 88 88 THR HA H 88 3.844 4.131 -0.287 1
1 1001 . 19 1 1 A 88 88 THR CB C 88 67.809 68.427 -0.618 1
1 1007 . 19 1 1 A 88 88 THR C C 88 177.343 176.099 1.244 1
1 1008 . 19 1 1 A 89 89 LEU N N 89 123.163 121.859 1.304 1
1 1009 . 19 1 1 A 89 89 LEU H H 89 6.898 7.693 -0.795 1
1 1010 . 19 1 1 A 89 89 LEU CA C 89 57.692 56.807 0.885 1
1 1011 . 19 1 1 A 89 89 LEU HA H 89 3.147 3.465 -0.318 1
1 1012 . 19 1 1 A 89 89 LEU CB C 89 40.133 41.848 -1.715 1
1 1025 . 19 1 1 A 89 89 LEU C C 89 176.886 178.523 -1.637 1
1 1026 . 19 1 1 A 90 90 ALA N N 90 120.747 121.503 -0.756 1
1 1027 . 19 1 1 A 90 90 ALA H H 90 7.837 7.932 -0.095 1
1 1028 . 19 1 1 A 90 90 ALA CA C 90 55.646 55.032 0.614 1
1 1029 . 19 1 1 A 90 90 ALA HA H 90 3.914 4.104 -0.190 1
1 1030 . 19 1 1 A 90 90 ALA CB C 90 17.722 18.149 -0.427 1
1 1034 . 19 1 1 A 90 90 ALA C C 90 180.692 180.101 0.591 1
1 1035 . 19 1 1 A 91 91 VAL N N 91 117.181 117.614 -0.433 1
1 1036 . 19 1 1 A 91 91 VAL H H 91 7.475 7.972 -0.497 1
1 1037 . 19 1 1 A 91 91 VAL CA C 91 65.880 64.633 1.247 1
1 1038 . 19 1 1 A 91 91 VAL HA H 91 3.662 3.844 -0.182 1
1 1039 . 19 1 1 A 91 91 VAL CB C 91 32.018 31.698 0.320 1
1 1049 . 19 1 1 A 91 91 VAL C C 91 178.708 177.377 1.331 1
1 1050 . 19 1 1 A 92 92 HIS N N 92 121.501 121.787 -0.286 1
1 1051 . 19 1 1 A 92 92 HIS H H 92 7.625 8.034 -0.409 1
1 1052 . 19 1 1 A 92 92 HIS CA C 92 59.553 59.288 0.265 1
1 1053 . 19 1 1 A 92 92 HIS HA H 92 4.095 4.272 -0.177 1
1 1054 . 19 1 1 A 92 92 HIS CB C 92 28.040 30.317 -2.277 1
1 1061 . 19 1 1 A 92 92 HIS C C 92 176.518 177.117 -0.599 1
1 1062 . 19 1 1 A 93 93 LYS N N 93 116.162 117.650 -1.488 1
1 1063 . 19 1 1 A 93 93 LYS H H 93 8.372 8.305 0.067 1
1 1064 . 19 1 1 A 93 93 LYS CA C 93 60.253 59.710 0.543 1
1 1065 . 19 1 1 A 93 93 LYS HA H 93 3.732 3.929 -0.197 1
1 1066 . 19 1 1 A 93 93 LYS CB C 93 32.158 32.509 -0.351 1
1 1078 . 19 1 1 A 93 93 LYS C C 93 179.211 178.706 0.505 1
1 1079 . 19 1 1 A 94 94 THR N N 94 111.607 114.782 -3.175 1
1 1080 . 19 1 1 A 94 94 THR H H 94 7.434 8.199 -0.765 1
1 1081 . 19 1 1 A 94 94 THR CA C 94 65.106 65.912 -0.806 1
1 1082 . 19 1 1 A 94 94 THR HA H 94 4.034 4.016 0.018 1
1 1083 . 19 1 1 A 94 94 THR CB C 94 69.075 68.102 0.973 1
1 1089 . 19 1 1 A 94 94 THR C C 94 176.406 176.739 -0.333 1
1 1090 . 19 1 1 A 95 95 LEU N N 95 121.689 123.208 -1.519 1
1 1091 . 19 1 1 A 95 95 LEU H H 95 7.725 8.012 -0.287 1
1 1092 . 19 1 1 A 95 95 LEU CA C 95 56.680 58.244 -1.564 1
1 1093 . 19 1 1 A 95 95 LEU HA H 95 4.020 3.809 0.211 1
1 1094 . 19 1 1 A 95 95 LEU CB C 95 41.186 41.548 -0.362 1
1 1107 . 19 1 1 A 95 95 LEU C C 95 178.956 179.207 -0.251 1
1 1108 . 19 1 1 A 96 96 HIS N N 96 114.750 116.111 -1.361 1
1 1109 . 19 1 1 A 96 96 HIS H H 96 7.160 7.512 -0.352 1
1 1110 . 19 1 1 A 96 96 HIS CA C 96 55.206 58.676 -3.470 1
1 1111 . 19 1 1 A 96 96 HIS HA H 96 4.730 4.248 0.482 1
1 1112 . 19 1 1 A 96 96 HIS CB C 96 28.687 29.782 -1.095 1
1 1119 . 19 1 1 A 96 96 HIS C C 96 175.230 176.189 -0.959 1
1 1120 . 19 1 1 A 97 97 MET N N 97 118.984 117.128 1.856 1
1 1121 . 19 1 1 A 97 97 MET H H 97 7.626 7.460 0.166 1
1 1122 . 19 1 1 A 97 97 MET CA C 97 55.995 54.531 1.464 1
1 1123 . 19 1 1 A 97 97 MET HA H 97 4.424 4.463 -0.039 1
1 1124 . 19 1 1 A 97 97 MET CB C 97 33.065 33.676 -0.611 1
1 1134 . 19 1 1 A 97 97 MET C C 97 176.174 177.476 -1.302 1
1 1135 . 19 1 1 A 98 98 GLN N N 98 120.828 121.267 -0.439 1
1 1136 . 19 1 1 A 98 98 GLN H H 98 8.271 8.828 -0.557 1
1 1137 . 19 1 1 A 98 98 GLN CA C 98 55.951 58.498 -2.547 1
1 1138 . 19 1 1 A 98 98 GLN HA H 98 4.382 4.010 0.372 1
1 1139 . 19 1 1 A 98 98 GLN CB C 98 29.364 28.067 1.297 1
1 1148 . 19 1 1 A 98 98 GLN C C 98 176.242 176.520 -0.278 1
1 1149 . 19 1 1 A 99 99 THR N N 99 114.965 114.557 0.408 1
1 1150 . 19 1 1 A 99 99 THR H H 99 8.200 7.951 0.249 1
1 1151 . 19 1 1 A 99 99 THR CA C 99 61.773 62.949 -1.176 1
1 1152 . 19 1 1 A 99 99 THR HA H 99 4.374 4.006 0.368 1
1 1153 . 19 1 1 A 99 99 THR CB C 99 69.654 67.107 2.547 1
1 1159 . 19 1 1 A 99 99 THR C C 99 174.491 174.904 -0.413 1
1 1160 . 19 1 1 A 100 100 SER N N 100 118.047 116.580 1.467 1
1 1161 . 19 1 1 A 100 100 SER H H 100 8.311 7.982 0.329 1
1 1162 . 19 1 1 A 100 100 SER CA C 100 58.240 58.455 -0.215 1
1 1163 . 19 1 1 A 100 100 SER HA H 100 4.493 4.371 0.122 1
1 1164 . 19 1 1 A 100 100 SER CB C 100 63.843 62.663 1.180 1
1 1167 . 19 1 1 A 100 100 SER C C 100 174.152 174.322 -0.170 1
1 1168 . 19 1 1 A 101 101 SER N N 101 118.812 121.539 -2.727 1
1 1169 . 19 1 1 A 101 101 SER H H 101 8.358 8.559 -0.201 1
1 1170 . 19 1 1 A 101 101 SER CA C 101 56.348 62.671 -6.323 1
1 1171 . 19 1 1 A 101 101 SER HA H 101 4.773 4.404 0.369 1
1 1172 . 19 1 1 A 101 101 SER CB C 101 63.554 63.724 -0.170 1
1 1175 . 19 1 1 A 101 101 SER C C 101 172.898 173.820 -0.922 1
1 1176 . 19 1 1 A 102 102 PRO CA C 102 63.453 63.927 -0.474 1
1 1177 . 19 1 1 A 102 102 PRO HA H 102 4.485 4.466 0.019 1
1 1178 . 19 1 1 A 102 102 PRO CB C 102 32.126 31.604 0.522 1
1 1187 . 19 1 1 A 102 102 PRO C C 102 177.181 176.355 0.826 1
1 1188 . 19 1 1 A 103 103 THR N N 103 114.257 114.827 -0.570 1
1 1189 . 19 1 1 A 103 103 THR H H 103 8.188 7.566 0.622 1
1 1190 . 19 1 1 A 103 103 THR CA C 103 61.748 63.182 -1.434 1
1 1191 . 19 1 1 A 103 103 THR HA H 103 4.273 4.224 0.049 1
1 1192 . 19 1 1 A 103 103 THR CB C 103 69.833 69.540 0.293 1
1 1198 . 19 1 1 A 103 103 THR C C 103 174.258 173.663 0.595 1
1 1199 . 19 1 1 A 104 104 ALA N N 104 126.872 131.441 -4.569 1
1 1200 . 19 1 1 A 104 104 ALA H H 104 8.240 8.639 -0.399 1
1 1201 . 19 1 1 A 104 104 ALA CA C 104 52.369 50.842 1.527 1
1 1202 . 19 1 1 A 104 104 ALA HA H 104 4.316 5.023 -0.707 1
1 1203 . 19 1 1 A 104 104 ALA CB C 104 19.417 22.885 -3.468 1
1 1207 . 19 1 1 A 104 104 ALA C C 104 177.129 176.861 0.268 1
1 1208 . 19 1 1 A 105 105 ALA N N 105 124.353 125.809 -1.456 1
1 1209 . 19 1 1 A 105 105 ALA H H 105 8.312 8.534 -0.222 1
1 1210 . 19 1 1 A 105 105 ALA CA C 105 52.408 51.446 0.962 1
1 1211 . 19 1 1 A 105 105 ALA HA H 105 4.327 4.670 -0.343 1
1 1212 . 19 1 1 A 105 105 ALA CB C 105 19.416 19.343 0.073 1
1 1216 . 19 1 1 A 105 105 ALA C C 105 176.902 177.361 -0.459 1
1 1 . 20 1 1 A 8 8 GLY CA C 8 45.171 45.624 -0.453 1
1 2 . 20 1 1 A 8 8 GLY HA2 H 8 3.976 4.159 -0.183 1
1 3 . 20 1 1 A 8 8 GLY HA3 H 8 3.976 4.159 -0.183 1
1 4 . 20 1 1 A 8 8 GLY C C 8 173.956 172.090 1.866 1
1 5 . 20 1 1 A 9 9 ARG N N 9 120.445 124.867 -4.422 1
1 6 . 20 1 1 A 9 9 ARG H H 9 8.126 8.892 -0.766 1
1 7 . 20 1 1 A 9 9 ARG CA C 9 55.873 54.205 1.668 1
1 8 . 20 1 1 A 9 9 ARG HA H 9 4.318 4.998 -0.680 1
1 9 . 20 1 1 A 9 9 ARG CB C 9 30.899 34.615 -3.716 1
1 18 . 20 1 1 A 9 9 ARG C C 9 176.192 174.724 1.468 1
1 19 . 20 1 1 A 10 10 LEU N N 10 125.156 121.530 3.626 1
1 20 . 20 1 1 A 10 10 LEU H H 10 8.357 8.836 -0.479 1
1 21 . 20 1 1 A 10 10 LEU CA C 10 53.058 51.390 1.668 1
1 22 . 20 1 1 A 10 10 LEU HA H 10 4.589 4.930 -0.341 1
1 23 . 20 1 1 A 10 10 LEU CB C 10 41.599 44.953 -3.354 1
1 36 . 20 1 1 A 10 10 LEU C C 10 175.327 174.845 0.482 1
1 37 . 20 1 1 A 11 11 PRO CA C 11 63.064 62.463 0.601 1
1 38 . 20 1 1 A 11 11 PRO HA H 11 4.416 4.666 -0.250 1
1 39 . 20 1 1 A 11 11 PRO CB C 11 32.095 33.354 -1.259 1
1 48 . 20 1 1 A 13 13 LYS CA C 13 56.353 54.438 1.915 1
1 49 . 20 1 1 A 13 13 LYS HA H 13 4.383 5.152 -0.769 1
1 50 . 20 1 1 A 13 13 LYS CB C 13 33.019 36.858 -3.839 1
1 62 . 20 1 1 A 13 13 LYS C C 13 176.694 174.872 1.822 1
1 63 . 20 1 1 A 14 14 THR N N 14 115.691 112.161 3.530 1
1 64 . 20 1 1 A 14 14 THR H H 14 8.140 8.689 -0.549 1
1 65 . 20 1 1 A 14 14 THR CA C 14 61.919 60.579 1.340 1
1 66 . 20 1 1 A 14 14 THR HA H 14 4.265 5.145 -0.880 1
1 67 . 20 1 1 A 14 14 THR CB C 14 69.860 71.055 -1.195 1
1 73 . 20 1 1 A 14 14 THR C C 14 174.261 173.706 0.555 1
1 74 . 20 1 1 A 15 15 LYS N N 15 124.645 124.834 -0.189 1
1 75 . 20 1 1 A 15 15 LYS H H 15 8.323 8.717 -0.394 1
1 76 . 20 1 1 A 15 15 LYS CA C 15 56.226 54.791 1.435 1
1 77 . 20 1 1 A 15 15 LYS HA H 15 4.278 4.906 -0.628 1
1 78 . 20 1 1 A 15 15 LYS CB C 15 33.220 37.162 -3.942 1
1 90 . 20 1 1 A 15 15 LYS C C 15 175.921 175.126 0.795 1
1 91 . 20 1 1 A 16 16 LYS N N 16 123.830 121.239 2.591 1
1 92 . 20 1 1 A 16 16 LYS H H 16 8.332 8.469 -0.137 1
1 93 . 20 1 1 A 16 16 LYS CA C 16 55.966 54.899 1.067 1
1 94 . 20 1 1 A 16 16 LYS HA H 16 4.192 4.795 -0.603 1
1 95 . 20 1 1 A 16 16 LYS CB C 16 33.028 33.513 -0.485 1
1 107 . 20 1 1 A 16 16 LYS C C 16 175.334 175.057 0.277 1
1 108 . 20 1 1 A 17 17 GLU N N 17 121.077 122.041 -0.964 1
1 109 . 20 1 1 A 17 17 GLU H H 17 7.931 8.331 -0.400 1
1 110 . 20 1 1 A 17 17 GLU CA C 17 55.463 54.091 1.372 1
1 111 . 20 1 1 A 17 17 GLU HA H 17 4.300 4.530 -0.230 1
1 112 . 20 1 1 A 17 17 GLU CB C 17 31.984 34.368 -2.384 1
1 118 . 20 1 1 A 17 17 GLU C C 17 174.646 174.836 -0.190 1
1 119 . 20 1 1 A 18 18 PHE N N 18 121.605 118.048 3.557 1
1 120 . 20 1 1 A 18 18 PHE H H 18 8.560 8.550 0.010 1
1 121 . 20 1 1 A 18 18 PHE CA C 18 56.963 56.373 0.590 1
1 122 . 20 1 1 A 18 18 PHE HA H 18 4.675 5.153 -0.478 1
1 123 . 20 1 1 A 18 18 PHE CB C 18 39.653 41.185 -1.532 1
1 134 . 20 1 1 A 18 18 PHE C C 18 173.933 175.114 -1.181 1
1 135 . 20 1 1 A 19 19 ILE N N 19 123.977 121.934 2.043 1
1 136 . 20 1 1 A 19 19 ILE H H 19 8.425 8.903 -0.478 1
1 137 . 20 1 1 A 19 19 ILE CA C 19 59.740 59.611 0.129 1
1 138 . 20 1 1 A 19 19 ILE HA H 19 4.654 4.790 -0.136 1
1 139 . 20 1 1 A 19 19 ILE CB C 19 41.000 41.418 -0.418 1
1 152 . 20 1 1 A 19 19 ILE C C 19 175.584 175.189 0.395 1
1 153 . 20 1 1 A 20 20 CYS N N 20 129.741 127.425 2.316 1
1 154 . 20 1 1 A 20 20 CYS H H 20 9.224 9.048 0.176 1
1 155 . 20 1 1 A 20 20 CYS CA C 20 59.974 59.517 0.457 1
1 156 . 20 1 1 A 20 20 CYS HA H 20 4.827 4.377 0.450 1
1 157 . 20 1 1 A 20 20 CYS CB C 20 30.335 29.101 1.234 1
1 160 . 20 1 1 A 20 20 CYS C C 20 178.043 175.469 2.574 1
1 161 . 20 1 1 A 21 21 LYS N N 21 132.598 122.622 9.976 1
1 162 . 20 1 1 A 21 21 LYS H H 21 9.473 8.306 1.167 1
1 163 . 20 1 1 A 21 21 LYS CA C 21 58.099 56.667 1.432 1
1 164 . 20 1 1 A 21 21 LYS HA H 21 4.104 4.475 -0.371 1
1 165 . 20 1 1 A 21 21 LYS CB C 21 31.695 34.007 -2.312 1
1 177 . 20 1 1 A 21 21 LYS C C 21 175.765 178.294 -2.529 1
1 178 . 20 1 1 A 22 22 PHE N N 22 121.000 117.923 3.077 1
1 179 . 20 1 1 A 22 22 PHE H H 22 9.158 7.977 1.181 1
1 180 . 20 1 1 A 22 22 PHE CA C 22 59.743 59.571 0.172 1
1 181 . 20 1 1 A 22 22 PHE HA H 22 4.394 4.228 0.166 1
1 182 . 20 1 1 A 22 22 PHE CB C 22 37.953 37.462 0.491 1
1 195 . 20 1 1 A 22 22 PHE C C 22 176.819 177.237 -0.418 1
1 196 . 20 1 1 A 23 23 CYS N N 23 115.955 113.539 2.416 1
1 197 . 20 1 1 A 23 23 CYS H H 23 8.410 7.833 0.577 1
1 198 . 20 1 1 A 23 23 CYS CA C 23 58.486 59.645 -1.159 1
1 199 . 20 1 1 A 23 23 CYS HA H 23 5.262 4.727 0.535 1
1 200 . 20 1 1 A 23 23 CYS CB C 23 33.092 30.069 3.023 1
1 203 . 20 1 1 A 23 23 CYS C C 23 176.770 175.902 0.868 1
1 204 . 20 1 1 A 24 24 GLY N N 24 112.575 110.582 1.993 1
1 205 . 20 1 1 A 24 24 GLY H H 24 8.092 8.302 -0.210 1
1 206 . 20 1 1 A 24 24 GLY CA C 24 46.302 45.716 0.586 1
1 207 . 20 1 1 A 24 24 GLY HA2 H 24 4.238 3.996 0.242 1
1 208 . 20 1 1 A 24 24 GLY HA3 H 24 3.776 4.004 -0.228 1
1 209 . 20 1 1 A 24 24 GLY C C 24 173.621 174.584 -0.963 1
1 210 . 20 1 1 A 25 25 ARG N N 25 122.678 122.286 0.392 1
1 211 . 20 1 1 A 25 25 ARG H H 25 8.079 7.692 0.387 1
1 212 . 20 1 1 A 25 25 ARG CA C 25 58.063 56.064 1.999 1
1 213 . 20 1 1 A 25 25 ARG HA H 25 4.096 4.407 -0.311 1
1 214 . 20 1 1 A 25 25 ARG CB C 25 31.628 31.482 0.146 1
1 223 . 20 1 1 A 25 25 ARG C C 25 174.641 175.538 -0.897 1
1 224 . 20 1 1 A 26 26 HIS N N 26 121.510 123.512 -2.002 1
1 225 . 20 1 1 A 26 26 HIS H H 26 8.454 8.822 -0.368 1
1 226 . 20 1 1 A 26 26 HIS CA C 26 55.553 54.715 0.838 1
1 227 . 20 1 1 A 26 26 HIS HA H 26 5.166 5.431 -0.265 1
1 228 . 20 1 1 A 26 26 HIS CB C 26 32.066 32.400 -0.334 1
1 235 . 20 1 1 A 26 26 HIS C C 26 174.732 174.015 0.717 1
1 236 . 20 1 1 A 27 27 PHE N N 27 119.065 119.001 0.064 1
1 237 . 20 1 1 A 27 27 PHE H H 27 9.035 8.824 0.211 1
1 238 . 20 1 1 A 27 27 PHE CA C 27 57.515 56.709 0.806 1
1 239 . 20 1 1 A 27 27 PHE HA H 27 4.724 4.895 -0.171 1
1 240 . 20 1 1 A 27 27 PHE CB C 27 43.276 43.466 -0.190 1
1 253 . 20 1 1 A 27 27 PHE C C 27 175.205 175.596 -0.391 1
1 254 . 20 1 1 A 28 28 THR CA C 28 62.856 63.653 -0.797 1
1 255 . 20 1 1 A 28 28 THR HA H 28 4.691 4.464 0.227 1
1 256 . 20 1 1 A 28 28 THR CB C 28 69.897 69.573 0.324 1
1 262 . 20 1 1 A 28 28 THR C C 28 174.714 174.850 -0.136 1
1 263 . 20 1 1 A 29 29 LYS N N 29 118.993 121.812 -2.819 1
1 264 . 20 1 1 A 29 29 LYS H H 29 7.456 7.943 -0.487 1
1 265 . 20 1 1 A 29 29 LYS CA C 29 54.239 54.647 -0.408 1
1 266 . 20 1 1 A 29 29 LYS HA H 29 4.573 4.724 -0.151 1
1 267 . 20 1 1 A 29 29 LYS CB C 29 35.412 34.761 0.651 1
1 279 . 20 1 1 A 29 29 LYS C C 29 176.395 176.822 -0.427 1
1 280 . 20 1 1 A 30 30 SER CA C 30 60.921 61.545 -0.624 1
1 281 . 20 1 1 A 30 30 SER HA H 30 3.025 4.415 -1.390 1
1 282 . 20 1 1 A 30 30 SER CB C 30 61.703 63.180 -1.477 1
1 285 . 20 1 1 A 31 31 TYR CA C 31 60.807 61.268 -0.461 1
1 286 . 20 1 1 A 31 31 TYR HA H 31 4.101 4.207 -0.106 1
1 287 . 20 1 1 A 31 31 TYR CB C 31 38.408 38.295 0.113 1
1 298 . 20 1 1 A 31 31 TYR C C 31 176.455 177.322 -0.867 1
1 299 . 20 1 1 A 32 32 ASN N N 32 114.304 117.347 -3.043 1
1 300 . 20 1 1 A 32 32 ASN H H 32 6.481 8.668 -2.187 1
1 301 . 20 1 1 A 32 32 ASN CA C 32 55.198 56.543 -1.345 1
1 302 . 20 1 1 A 32 32 ASN HA H 32 4.283 4.552 -0.269 1
1 303 . 20 1 1 A 32 32 ASN CB C 32 37.912 38.420 -0.508 1
1 309 . 20 1 1 A 32 32 ASN C C 32 177.633 178.033 -0.400 1
1 310 . 20 1 1 A 33 33 LEU N N 33 121.854 120.498 1.356 1
1 311 . 20 1 1 A 33 33 LEU H H 33 7.002 7.437 -0.435 1
1 312 . 20 1 1 A 33 33 LEU CA C 33 57.820 57.424 0.396 1
1 313 . 20 1 1 A 33 33 LEU HA H 33 2.922 2.594 0.328 1
1 314 . 20 1 1 A 33 33 LEU CB C 33 40.350 41.441 -1.091 1
1 327 . 20 1 1 A 33 33 LEU C C 33 176.900 178.098 -1.198 1
1 328 . 20 1 1 A 34 34 LEU N N 34 120.140 116.917 3.223 1
1 329 . 20 1 1 A 34 34 LEU H H 34 7.795 7.640 0.155 1
1 330 . 20 1 1 A 34 34 LEU CA C 34 58.506 57.931 0.575 1
1 331 . 20 1 1 A 34 34 LEU HA H 34 3.933 3.879 0.054 1
1 332 . 20 1 1 A 34 34 LEU CB C 34 41.523 41.320 0.203 1
1 345 . 20 1 1 A 34 34 LEU C C 34 179.914 178.964 0.950 1
1 346 . 20 1 1 A 35 35 ILE N N 35 116.693 120.129 -3.436 1
1 347 . 20 1 1 A 35 35 ILE H H 35 7.368 7.665 -0.297 1
1 348 . 20 1 1 A 35 35 ILE CA C 35 63.641 64.954 -1.313 1
1 349 . 20 1 1 A 35 35 ILE HA H 35 3.533 3.725 -0.192 1
1 350 . 20 1 1 A 35 35 ILE CB C 35 37.380 37.745 -0.365 1
1 363 . 20 1 1 A 35 35 ILE C C 35 178.700 178.553 0.147 1
1 364 . 20 1 1 A 36 36 HIS N N 36 119.039 121.282 -2.243 1
1 365 . 20 1 1 A 36 36 HIS H H 36 7.424 8.054 -0.630 1
1 366 . 20 1 1 A 36 36 HIS CA C 36 59.486 59.010 0.476 1
1 367 . 20 1 1 A 36 36 HIS HA H 36 4.282 4.313 -0.031 1
1 368 . 20 1 1 A 36 36 HIS CB C 36 28.563 30.329 -1.766 1
1 375 . 20 1 1 A 36 36 HIS C C 36 178.907 177.272 1.635 1
1 376 . 20 1 1 A 37 37 GLU N N 37 122.627 117.247 5.380 1
1 377 . 20 1 1 A 37 37 GLU H H 37 9.459 8.747 0.712 1
1 378 . 20 1 1 A 37 37 GLU CA C 37 61.473 59.902 1.571 1
1 379 . 20 1 1 A 37 37 GLU HA H 37 3.922 3.941 -0.019 1
1 380 . 20 1 1 A 37 37 GLU CB C 37 30.028 29.286 0.742 1
1 386 . 20 1 1 A 37 37 GLU C C 37 178.840 178.910 -0.070 1
1 387 . 20 1 1 A 38 38 ARG N N 38 116.143 118.719 -2.576 1
1 388 . 20 1 1 A 38 38 ARG H H 38 7.244 7.790 -0.546 1
1 389 . 20 1 1 A 38 38 ARG CA C 38 58.258 58.661 -0.403 1
1 390 . 20 1 1 A 38 38 ARG HA H 38 4.129 4.036 0.093 1
1 391 . 20 1 1 A 38 38 ARG CB C 38 30.054 29.970 0.084 1
1 400 . 20 1 1 A 38 38 ARG C C 38 177.863 178.193 -0.330 1
1 401 . 20 1 1 A 39 39 THR N N 39 109.313 114.333 -5.020 1
1 402 . 20 1 1 A 39 39 THR H H 39 7.639 8.294 -0.655 1
1 403 . 20 1 1 A 39 39 THR CA C 39 63.892 64.107 -0.215 1
1 404 . 20 1 1 A 39 39 THR HA H 39 4.075 3.895 0.180 1
1 405 . 20 1 1 A 39 39 THR CB C 39 69.337 68.505 0.832 1
1 411 . 20 1 1 A 39 39 THR C C 39 175.843 175.550 0.293 1
1 412 . 20 1 1 A 40 40 HIS N N 40 119.019 117.579 1.440 1
1 413 . 20 1 1 A 40 40 HIS H H 40 7.046 7.283 -0.237 1
1 414 . 20 1 1 A 40 40 HIS CA C 40 55.942 54.790 1.152 1
1 415 . 20 1 1 A 40 40 HIS HA H 40 4.410 4.396 0.014 1
1 416 . 20 1 1 A 40 40 HIS CB C 40 27.446 28.144 -0.698 1
1 423 . 20 1 1 A 40 40 HIS C C 40 175.528 173.607 1.921 1
1 424 . 20 1 1 A 41 41 THR N N 41 111.847 109.781 2.066 1
1 425 . 20 1 1 A 41 41 THR H H 41 7.579 7.143 0.436 1
1 426 . 20 1 1 A 41 41 THR CA C 41 62.200 60.382 1.818 1
1 427 . 20 1 1 A 41 41 THR HA H 41 4.152 4.920 -0.768 1
1 428 . 20 1 1 A 41 41 THR CB C 41 69.440 71.149 -1.709 1
1 434 . 20 1 1 A 41 41 THR C C 41 174.484 173.006 1.478 1
1 435 . 20 1 1 A 42 42 ASP N N 42 122.207 126.091 -3.884 1
1 436 . 20 1 1 A 42 42 ASP H H 42 8.191 8.920 -0.729 1
1 437 . 20 1 1 A 42 42 ASP CA C 42 54.373 53.063 1.310 1
1 438 . 20 1 1 A 42 42 ASP HA H 42 4.524 5.192 -0.668 1
1 439 . 20 1 1 A 42 42 ASP CB C 42 41.045 43.154 -2.109 1
1 442 . 20 1 1 A 42 42 ASP C C 42 175.869 176.219 -0.350 1
1 443 . 20 1 1 A 43 43 GLU N N 43 120.562 121.194 -0.632 1
1 444 . 20 1 1 A 43 43 GLU H H 43 8.064 8.793 -0.729 1
1 445 . 20 1 1 A 43 43 GLU CA C 43 57.378 57.237 0.141 1
1 446 . 20 1 1 A 43 43 GLU HA H 43 4.098 4.512 -0.414 1
1 447 . 20 1 1 A 43 43 GLU CB C 43 30.262 31.194 -0.932 1
1 453 . 20 1 1 A 43 43 GLU C C 43 176.313 176.540 -0.227 1
1 454 . 20 1 1 A 44 44 ARG N N 44 120.015 119.934 0.081 1
1 455 . 20 1 1 A 44 44 ARG H H 44 8.190 7.806 0.384 1
1 456 . 20 1 1 A 44 44 ARG CA C 44 53.266 53.448 -0.182 1
1 457 . 20 1 1 A 44 44 ARG HA H 44 4.533 4.855 -0.322 1
1 458 . 20 1 1 A 44 44 ARG CB C 44 30.702 30.941 -0.239 1
1 467 . 20 1 1 A 44 44 ARG C C 44 173.360 174.720 -1.360 1
1 468 . 20 1 1 A 45 45 PRO CA C 45 63.459 64.342 -0.883 1
1 469 . 20 1 1 A 45 45 PRO HA H 45 4.298 4.512 -0.214 1
1 470 . 20 1 1 A 45 45 PRO CB C 45 32.219 31.766 0.453 1
1 479 . 20 1 1 A 45 45 PRO C C 45 176.492 176.502 -0.010 1
1 480 . 20 1 1 A 46 46 TYR N N 46 119.184 117.878 1.306 1
1 481 . 20 1 1 A 46 46 TYR H H 46 7.840 8.301 -0.461 1
1 482 . 20 1 1 A 46 46 TYR CA C 46 57.533 56.916 0.617 1
1 483 . 20 1 1 A 46 46 TYR HA H 46 4.757 4.767 -0.010 1
1 484 . 20 1 1 A 46 46 TYR CB C 46 38.646 36.681 1.965 1
1 495 . 20 1 1 A 46 46 TYR C C 46 175.414 175.234 0.180 1
1 496 . 20 1 1 A 47 47 THR N N 47 117.631 116.068 1.563 1
1 497 . 20 1 1 A 47 47 THR H H 47 8.607 7.725 0.882 1
1 498 . 20 1 1 A 47 47 THR CA C 47 60.593 62.275 -1.682 1
1 499 . 20 1 1 A 47 47 THR HA H 47 5.130 4.803 0.327 1
1 500 . 20 1 1 A 47 47 THR CB C 47 71.076 69.931 1.145 1
1 506 . 20 1 1 A 47 47 THR C C 47 173.697 174.354 -0.657 1
1 507 . 20 1 1 A 48 48 CYS N N 48 127.009 126.270 0.739 1
1 508 . 20 1 1 A 48 48 CYS H H 48 9.072 8.440 0.632 1
1 509 . 20 1 1 A 48 48 CYS CA C 48 60.153 59.207 0.946 1
1 510 . 20 1 1 A 48 48 CYS HA H 48 4.422 4.673 -0.251 1
1 511 . 20 1 1 A 48 48 CYS CB C 48 29.832 28.847 0.985 1
1 514 . 20 1 1 A 48 48 CYS C C 48 176.023 174.956 1.067 1
1 515 . 20 1 1 A 49 49 ASP N N 49 129.691 123.300 6.391 1
1 516 . 20 1 1 A 49 49 ASP H H 49 9.129 9.224 -0.095 1
1 517 . 20 1 1 A 49 49 ASP CA C 49 55.499 55.903 -0.404 1
1 518 . 20 1 1 A 49 49 ASP HA H 49 4.353 4.809 -0.456 1
1 519 . 20 1 1 A 49 49 ASP CB C 49 39.656 42.876 -3.220 1
1 522 . 20 1 1 A 49 49 ASP C C 49 175.094 176.525 -1.431 1
1 523 . 20 1 1 A 50 50 ILE N N 50 121.649 116.466 5.183 1
1 524 . 20 1 1 A 50 50 ILE H H 50 8.661 7.612 1.049 1
1 525 . 20 1 1 A 50 50 ILE CA C 50 62.888 62.859 0.029 1
1 526 . 20 1 1 A 50 50 ILE HA H 50 3.837 4.218 -0.381 1
1 527 . 20 1 1 A 50 50 ILE CB C 50 38.652 38.501 0.151 1
1 540 . 20 1 1 A 50 50 ILE C C 50 176.439 177.790 -1.351 1
1 541 . 20 1 1 A 51 51 CYS N N 51 116.341 118.950 -2.609 1
1 542 . 20 1 1 A 51 51 CYS H H 51 7.973 8.034 -0.061 1
1 543 . 20 1 1 A 51 51 CYS CA C 51 58.192 60.696 -2.504 1
1 544 . 20 1 1 A 51 51 CYS HA H 51 4.922 4.286 0.636 1
1 545 . 20 1 1 A 51 51 CYS CB C 51 32.086 28.237 3.849 1
1 548 . 20 1 1 A 51 51 CYS C C 51 175.814 175.521 0.293 1
1 549 . 20 1 1 A 52 52 HIS N N 52 116.961 119.193 -2.232 1
1 550 . 20 1 1 A 52 52 HIS H H 52 7.714 8.159 -0.445 1
1 551 . 20 1 1 A 52 52 HIS CA C 52 58.187 56.785 1.402 1
1 552 . 20 1 1 A 52 52 HIS HA H 52 4.521 4.259 0.262 1
1 553 . 20 1 1 A 52 52 HIS CB C 52 27.079 27.481 -0.402 1
1 560 . 20 1 1 A 52 52 HIS C C 52 174.215 174.547 -0.332 1
1 561 . 20 1 1 A 53 53 LYS N N 53 122.651 118.909 3.742 1
1 562 . 20 1 1 A 53 53 LYS H H 53 7.902 7.673 0.229 1
1 563 . 20 1 1 A 53 53 LYS CA C 53 58.205 56.035 2.170 1
1 564 . 20 1 1 A 53 53 LYS HA H 53 4.051 4.162 -0.111 1
1 565 . 20 1 1 A 53 53 LYS CB C 53 33.868 33.802 0.066 1
1 577 . 20 1 1 A 53 53 LYS C C 53 173.816 175.298 -1.482 1
1 578 . 20 1 1 A 54 54 ALA N N 54 124.589 120.825 3.764 1
1 579 . 20 1 1 A 54 54 ALA H H 54 7.885 8.189 -0.304 1
1 580 . 20 1 1 A 54 54 ALA CA C 54 50.573 50.350 0.223 1
1 581 . 20 1 1 A 54 54 ALA HA H 54 5.098 5.276 -0.178 1
1 582 . 20 1 1 A 54 54 ALA CB C 54 22.290 21.491 0.799 1
1 586 . 20 1 1 A 54 54 ALA C C 54 176.763 175.721 1.042 1
1 587 . 20 1 1 A 55 55 PHE N N 55 117.946 120.235 -2.289 1
1 588 . 20 1 1 A 55 55 PHE H H 55 9.044 9.172 -0.128 1
1 589 . 20 1 1 A 55 55 PHE CA C 55 57.320 56.881 0.439 1
1 590 . 20 1 1 A 55 55 PHE HA H 55 4.724 4.976 -0.252 1
1 591 . 20 1 1 A 55 55 PHE CB C 55 43.710 43.119 0.591 1
1 604 . 20 1 1 A 55 55 PHE C C 55 175.251 175.518 -0.267 1
1 605 . 20 1 1 A 56 56 ARG N N 56 119.843 118.736 1.107 1
1 606 . 20 1 1 A 56 56 ARG H H 56 9.587 8.643 0.944 1
1 607 . 20 1 1 A 56 56 ARG CA C 56 58.117 56.650 1.467 1
1 608 . 20 1 1 A 56 56 ARG HA H 56 4.603 4.261 0.342 1
1 609 . 20 1 1 A 56 56 ARG CB C 56 31.741 31.530 0.211 1
1 618 . 20 1 1 A 56 56 ARG C C 56 176.201 176.071 0.130 1
1 619 . 20 1 1 A 57 57 ARG N N 57 113.134 118.723 -5.589 1
1 620 . 20 1 1 A 57 57 ARG H H 57 7.273 7.766 -0.493 1
1 621 . 20 1 1 A 57 57 ARG CA C 57 53.978 54.406 -0.428 1
1 622 . 20 1 1 A 57 57 ARG HA H 57 4.650 4.538 0.112 1
1 623 . 20 1 1 A 57 57 ARG CB C 57 34.701 31.612 3.089 1
1 632 . 20 1 1 A 57 57 ARG C C 57 176.296 177.331 -1.035 1
1 633 . 20 1 1 A 58 58 GLN N N 58 124.070 121.895 2.175 1
1 634 . 20 1 1 A 58 58 GLN H H 58 8.583 8.948 -0.365 1
1 635 . 20 1 1 A 58 58 GLN CA C 58 59.036 59.021 0.015 1
1 636 . 20 1 1 A 58 58 GLN HA H 58 3.004 4.201 -1.197 1
1 637 . 20 1 1 A 58 58 GLN CB C 58 28.229 28.634 -0.405 1
1 646 . 20 1 1 A 58 58 GLN C C 58 177.925 177.944 -0.019 1
1 647 . 20 1 1 A 59 59 ASP CA C 59 56.406 57.183 -0.777 1
1 648 . 20 1 1 A 59 59 ASP HA H 59 4.046 4.289 -0.243 1
1 649 . 20 1 1 A 59 59 ASP CB C 59 38.248 40.961 -2.713 1
1 652 . 20 1 1 A 59 59 ASP C C 59 177.698 178.491 -0.793 1
1 653 . 20 1 1 A 60 60 HIS N N 60 119.173 118.295 0.878 1
1 654 . 20 1 1 A 60 60 HIS H H 60 6.954 7.878 -0.924 1
1 655 . 20 1 1 A 60 60 HIS CA C 60 56.843 59.241 -2.398 1
1 656 . 20 1 1 A 60 60 HIS HA H 60 4.432 4.317 0.115 1
1 657 . 20 1 1 A 60 60 HIS CB C 60 31.752 29.941 1.811 1
1 664 . 20 1 1 A 60 60 HIS C C 60 178.617 177.980 0.637 1
1 665 . 20 1 1 A 61 61 LEU N N 61 120.844 120.632 0.212 1
1 666 . 20 1 1 A 61 61 LEU H H 61 6.979 8.356 -1.377 1
1 667 . 20 1 1 A 61 61 LEU CA C 61 57.728 57.523 0.205 1
1 668 . 20 1 1 A 61 61 LEU HA H 61 3.145 2.928 0.217 1
1 669 . 20 1 1 A 61 61 LEU CB C 61 40.153 41.389 -1.236 1
1 682 . 20 1 1 A 61 61 LEU C C 61 176.855 178.616 -1.761 1
1 683 . 20 1 1 A 62 62 ARG N N 62 120.225 119.443 0.782 1
1 684 . 20 1 1 A 62 62 ARG H H 62 8.012 8.577 -0.565 1
1 685 . 20 1 1 A 62 62 ARG CA C 62 59.526 59.441 0.085 1
1 686 . 20 1 1 A 62 62 ARG HA H 62 3.724 4.055 -0.331 1
1 687 . 20 1 1 A 62 62 ARG CB C 62 29.388 29.966 -0.578 1
1 696 . 20 1 1 A 62 62 ARG C C 62 178.582 178.619 -0.037 1
1 697 . 20 1 1 A 63 63 ASP N N 63 117.219 119.673 -2.454 1
1 698 . 20 1 1 A 63 63 ASP H H 63 7.823 8.512 -0.689 1
1 699 . 20 1 1 A 63 63 ASP CA C 63 56.694 56.804 -0.110 1
1 700 . 20 1 1 A 63 63 ASP HA H 63 4.401 4.387 0.014 1
1 701 . 20 1 1 A 63 63 ASP CB C 63 40.226 41.423 -1.197 1
1 704 . 20 1 1 A 63 63 ASP C C 63 178.560 178.601 -0.041 1
1 705 . 20 1 1 A 64 64 HIS N N 64 119.185 119.189 -0.004 1
1 706 . 20 1 1 A 64 64 HIS H H 64 7.606 7.915 -0.309 1
1 707 . 20 1 1 A 64 64 HIS CA C 64 58.772 59.821 -1.049 1
1 708 . 20 1 1 A 64 64 HIS HA H 64 4.211 4.127 0.084 1
1 709 . 20 1 1 A 64 64 HIS CB C 64 28.533 29.960 -1.427 1
1 716 . 20 1 1 A 64 64 HIS C C 64 176.334 177.213 -0.879 1
1 717 . 20 1 1 A 65 65 ARG N N 65 116.490 118.080 -1.590 1
1 718 . 20 1 1 A 65 65 ARG H H 65 8.157 8.006 0.151 1
1 719 . 20 1 1 A 65 65 ARG CA C 65 59.666 59.073 0.593 1
1 720 . 20 1 1 A 65 65 ARG HA H 65 3.576 3.957 -0.381 1
1 721 . 20 1 1 A 65 65 ARG CB C 65 29.958 29.896 0.062 1
1 730 . 20 1 1 A 65 65 ARG C C 65 178.301 177.974 0.327 1
1 731 . 20 1 1 A 66 66 TYR N N 66 117.286 121.401 -4.115 1
1 732 . 20 1 1 A 66 66 TYR H H 66 7.169 7.718 -0.549 1
1 733 . 20 1 1 A 66 66 TYR CA C 66 60.186 61.204 -1.018 1
1 734 . 20 1 1 A 66 66 TYR HA H 66 4.339 4.147 0.192 1
1 735 . 20 1 1 A 66 66 TYR CB C 66 37.960 38.454 -0.494 1
1 746 . 20 1 1 A 66 66 TYR C C 66 178.191 177.213 0.978 1
1 747 . 20 1 1 A 67 67 ILE N N 67 117.609 116.635 0.974 1
1 748 . 20 1 1 A 67 67 ILE H H 67 7.883 7.695 0.188 1
1 749 . 20 1 1 A 67 67 ILE CA C 67 63.440 63.724 -0.284 1
1 750 . 20 1 1 A 67 67 ILE HA H 67 3.836 3.856 -0.020 1
1 751 . 20 1 1 A 67 67 ILE CB C 67 37.482 37.333 0.149 1
1 764 . 20 1 1 A 67 67 ILE C C 67 177.511 176.663 0.848 1
1 765 . 20 1 1 A 68 68 HIS N N 68 116.764 120.530 -3.766 1
1 766 . 20 1 1 A 68 68 HIS H H 68 7.140 7.478 -0.338 1
1 767 . 20 1 1 A 68 68 HIS CA C 68 55.340 54.717 0.623 1
1 768 . 20 1 1 A 68 68 HIS HA H 68 4.768 4.730 0.038 1
1 769 . 20 1 1 A 68 68 HIS CB C 68 28.687 28.306 0.381 1
1 776 . 20 1 1 A 68 68 HIS C C 68 175.627 175.278 0.349 1
1 777 . 20 1 1 A 69 69 SER N N 69 114.870 112.117 2.753 1
1 778 . 20 1 1 A 69 69 SER H H 69 7.731 7.257 0.474 1
1 779 . 20 1 1 A 69 69 SER CA C 69 59.200 58.543 0.657 1
1 780 . 20 1 1 A 69 69 SER HA H 69 4.379 4.467 -0.088 1
1 781 . 20 1 1 A 69 69 SER CB C 69 63.765 64.180 -0.415 1
1 784 . 20 1 1 A 69 69 SER C C 69 174.692 174.705 -0.013 1
1 785 . 20 1 1 A 70 70 LYS N N 70 121.978 120.104 1.874 1
1 786 . 20 1 1 A 70 70 LYS H H 70 8.063 7.382 0.681 1
1 787 . 20 1 1 A 70 70 LYS CA C 70 56.825 56.418 0.407 1
1 788 . 20 1 1 A 70 70 LYS HA H 70 4.214 4.370 -0.156 1
1 789 . 20 1 1 A 70 70 LYS CB C 70 32.539 32.784 -0.245 1
1 801 . 20 1 1 A 70 70 LYS C C 70 176.806 176.146 0.660 1
1 802 . 20 1 1 A 71 71 GLU N N 71 120.177 119.941 0.236 1
1 803 . 20 1 1 A 71 71 GLU H H 71 8.008 8.541 -0.533 1
1 804 . 20 1 1 A 71 71 GLU CA C 71 56.472 56.965 -0.493 1
1 805 . 20 1 1 A 71 71 GLU HA H 71 4.191 4.211 -0.020 1
1 806 . 20 1 1 A 71 71 GLU CB C 71 29.335 29.815 -0.480 1
1 811 . 20 1 1 A 71 71 GLU C C 71 176.040 176.290 -0.250 1
1 812 . 20 1 1 A 72 72 LYS N N 72 121.800 123.737 -1.937 1
1 813 . 20 1 1 A 72 72 LYS H H 72 8.277 8.695 -0.418 1
1 814 . 20 1 1 A 72 72 LYS CA C 72 53.820 54.358 -0.538 1
1 815 . 20 1 1 A 72 72 LYS HA H 72 4.391 4.448 -0.057 1
1 816 . 20 1 1 A 72 72 LYS CB C 72 32.139 31.978 0.161 1
1 828 . 20 1 1 A 72 72 LYS C C 72 174.768 176.651 -1.883 1
1 829 . 20 1 1 A 73 73 PRO CA C 73 63.978 64.341 -0.363 1
1 830 . 20 1 1 A 73 73 PRO HA H 73 4.144 4.538 -0.394 1
1 831 . 20 1 1 A 73 73 PRO CB C 73 31.953 31.757 0.196 1
1 840 . 20 1 1 A 73 73 PRO C C 73 176.402 177.187 -0.785 1
1 841 . 20 1 1 A 74 74 PHE N N 74 117.425 118.837 -1.412 1
1 842 . 20 1 1 A 74 74 PHE H H 74 7.686 7.835 -0.149 1
1 843 . 20 1 1 A 74 74 PHE CA C 74 57.020 59.128 -2.108 1
1 844 . 20 1 1 A 74 74 PHE HA H 74 4.691 4.317 0.374 1
1 845 . 20 1 1 A 74 74 PHE CB C 74 39.403 39.259 0.144 1
1 856 . 20 1 1 A 74 74 PHE C C 74 174.442 174.725 -0.283 1
1 857 . 20 1 1 A 75 75 LYS N N 75 123.931 122.257 1.674 1
1 858 . 20 1 1 A 75 75 LYS H H 75 8.590 8.271 0.319 1
1 859 . 20 1 1 A 75 75 LYS CA C 75 54.951 54.696 0.255 1
1 860 . 20 1 1 A 75 75 LYS HA H 75 5.021 4.937 0.084 1
1 861 . 20 1 1 A 75 75 LYS CB C 75 35.286 35.362 -0.076 1
1 873 . 20 1 1 A 75 75 LYS C C 75 175.465 175.349 0.116 1
1 874 . 20 1 1 A 76 76 CYS N N 76 126.279 121.314 4.965 1
1 875 . 20 1 1 A 76 76 CYS H H 76 9.149 8.839 0.310 1
1 876 . 20 1 1 A 76 76 CYS CA C 76 59.553 59.792 -0.239 1
1 877 . 20 1 1 A 76 76 CYS HA H 76 4.462 4.247 0.215 1
1 878 . 20 1 1 A 76 76 CYS CB C 76 29.772 28.766 1.006 1
1 881 . 20 1 1 A 76 76 CYS C C 76 177.367 174.979 2.388 1
1 882 . 20 1 1 A 77 77 GLN CA C 77 58.117 57.045 1.072 1
1 883 . 20 1 1 A 77 77 GLN HA H 77 4.130 4.315 -0.185 1
1 884 . 20 1 1 A 77 77 GLN CB C 77 28.479 29.852 -1.373 1
1 893 . 20 1 1 A 77 77 GLN C C 77 176.283 178.001 -1.718 1
1 894 . 20 1 1 A 78 78 GLU N N 78 120.320 118.927 1.393 1
1 895 . 20 1 1 A 78 78 GLU H H 78 8.682 7.736 0.946 1
1 896 . 20 1 1 A 78 78 GLU CA C 78 58.540 58.967 -0.427 1
1 897 . 20 1 1 A 78 78 GLU HA H 78 4.165 3.964 0.201 1
1 898 . 20 1 1 A 78 78 GLU CB C 78 29.469 29.206 0.263 1
1 904 . 20 1 1 A 78 78 GLU C C 78 177.275 178.306 -1.031 1
1 905 . 20 1 1 A 79 79 CYS N N 79 114.728 114.110 0.618 1
1 906 . 20 1 1 A 79 79 CYS H H 79 8.018 7.593 0.425 1
1 907 . 20 1 1 A 79 79 CYS CA C 79 58.271 59.803 -1.532 1
1 908 . 20 1 1 A 79 79 CYS HA H 79 5.142 4.452 0.690 1
1 909 . 20 1 1 A 79 79 CYS CB C 79 32.339 29.058 3.281 1
1 912 . 20 1 1 A 79 79 CYS C C 79 176.280 175.670 0.610 1
1 913 . 20 1 1 A 80 80 GLY N N 80 113.675 110.356 3.319 1
1 914 . 20 1 1 A 80 80 GLY H H 80 8.133 8.034 0.099 1
1 915 . 20 1 1 A 80 80 GLY CA C 80 46.206 45.864 0.342 1
1 916 . 20 1 1 A 80 80 GLY HA2 H 80 4.213 3.916 0.297 1
1 917 . 20 1 1 A 80 80 GLY HA3 H 80 3.755 3.931 -0.176 1
1 918 . 20 1 1 A 80 80 GLY C C 80 173.619 175.139 -1.520 1
1 919 . 20 1 1 A 81 81 LYS N N 81 122.811 119.732 3.079 1
1 920 . 20 1 1 A 81 81 LYS H H 81 7.945 7.469 0.476 1
1 921 . 20 1 1 A 81 81 LYS CA C 81 58.211 56.587 1.624 1
1 922 . 20 1 1 A 81 81 LYS HA H 81 3.947 4.255 -0.308 1
1 923 . 20 1 1 A 81 81 LYS CB C 81 33.921 33.794 0.127 1
1 935 . 20 1 1 A 81 81 LYS C C 81 174.639 176.012 -1.373 1
1 936 . 20 1 1 A 82 82 GLY N N 82 108.366 109.278 -0.912 1
1 937 . 20 1 1 A 82 82 GLY H H 82 7.936 8.153 -0.217 1
1 938 . 20 1 1 A 82 82 GLY CA C 82 44.048 45.704 -1.656 1
1 939 . 20 1 1 A 82 82 GLY HA2 H 82 4.847 4.194 0.653 1
1 940 . 20 1 1 A 82 82 GLY HA3 H 82 3.291 4.250 -0.959 1
1 941 . 20 1 1 A 82 82 GLY C C 82 172.166 174.188 -2.022 1
1 942 . 20 1 1 A 83 83 PHE N N 83 117.822 120.675 -2.853 1
1 943 . 20 1 1 A 83 83 PHE H H 83 8.697 7.755 0.942 1
1 944 . 20 1 1 A 83 83 PHE CA C 83 57.338 58.018 -0.680 1
1 945 . 20 1 1 A 83 83 PHE HA H 83 4.755 4.538 0.217 1
1 946 . 20 1 1 A 83 83 PHE CB C 83 43.462 39.707 3.755 1
1 959 . 20 1 1 A 83 83 PHE C C 83 175.424 176.365 -0.941 1
1 960 . 20 1 1 A 84 84 CYS CA C 84 60.706 58.066 2.640 1
1 961 . 20 1 1 A 84 84 CYS HA H 84 4.608 4.775 -0.167 1
1 962 . 20 1 1 A 84 84 CYS CB C 84 28.990 29.764 -0.774 1
1 965 . 20 1 1 A 84 84 CYS C C 84 174.163 174.250 -0.087 1
1 966 . 20 1 1 A 85 85 GLN N N 85 114.620 120.743 -6.123 1
1 967 . 20 1 1 A 85 85 GLN H H 85 7.326 7.792 -0.466 1
1 968 . 20 1 1 A 85 85 GLN CA C 85 54.098 54.436 -0.338 1
1 969 . 20 1 1 A 85 85 GLN HA H 85 4.648 4.698 -0.050 1
1 970 . 20 1 1 A 85 85 GLN CB C 85 32.066 31.812 0.254 1
1 979 . 20 1 1 A 85 85 GLN C C 85 175.230 175.689 -0.459 1
1 980 . 20 1 1 A 86 86 SER CA C 86 61.164 60.390 0.774 1
1 981 . 20 1 1 A 86 86 SER HA H 86 3.078 4.468 -1.390 1
1 982 . 20 1 1 A 86 86 SER CB C 86 61.738 64.208 -2.470 1
1 985 . 20 1 1 A 87 87 ARG CA C 87 58.886 59.552 -0.666 1
1 986 . 20 1 1 A 87 87 ARG HA H 87 4.049 4.029 0.020 1
1 987 . 20 1 1 A 87 87 ARG CB C 87 29.519 30.079 -0.560 1
1 996 . 20 1 1 A 87 87 ARG C C 87 177.520 178.992 -1.472 1
1 997 . 20 1 1 A 88 88 THR N N 88 112.500 117.902 -5.402 1
1 998 . 20 1 1 A 88 88 THR H H 88 6.796 7.775 -0.979 1
1 999 . 20 1 1 A 88 88 THR CA C 88 64.598 66.999 -2.401 1
1 1000 . 20 1 1 A 88 88 THR HA H 88 3.844 3.928 -0.084 1
1 1001 . 20 1 1 A 88 88 THR CB C 88 67.809 68.001 -0.192 1
1 1007 . 20 1 1 A 88 88 THR C C 88 177.343 176.353 0.990 1
1 1008 . 20 1 1 A 89 89 LEU N N 89 123.163 121.606 1.557 1
1 1009 . 20 1 1 A 89 89 LEU H H 89 6.898 8.126 -1.228 1
1 1010 . 20 1 1 A 89 89 LEU CA C 89 57.692 57.914 -0.222 1
1 1011 . 20 1 1 A 89 89 LEU HA H 89 3.147 3.517 -0.370 1
1 1012 . 20 1 1 A 89 89 LEU CB C 89 40.133 41.860 -1.727 1
1 1025 . 20 1 1 A 89 89 LEU C C 89 176.886 177.958 -1.072 1
1 1026 . 20 1 1 A 90 90 ALA N N 90 120.747 120.207 0.540 1
1 1027 . 20 1 1 A 90 90 ALA H H 90 7.837 8.357 -0.520 1
1 1028 . 20 1 1 A 90 90 ALA CA C 90 55.646 55.539 0.107 1
1 1029 . 20 1 1 A 90 90 ALA HA H 90 3.914 4.070 -0.156 1
1 1030 . 20 1 1 A 90 90 ALA CB C 90 17.722 18.635 -0.913 1
1 1034 . 20 1 1 A 90 90 ALA C C 90 180.692 179.958 0.734 1
1 1035 . 20 1 1 A 91 91 VAL N N 91 117.181 118.872 -1.691 1
1 1036 . 20 1 1 A 91 91 VAL H H 91 7.475 7.974 -0.499 1
1 1037 . 20 1 1 A 91 91 VAL CA C 91 65.880 65.790 0.090 1
1 1038 . 20 1 1 A 91 91 VAL HA H 91 3.662 3.686 -0.024 1
1 1039 . 20 1 1 A 91 91 VAL CB C 91 32.018 31.270 0.748 1
1 1049 . 20 1 1 A 91 91 VAL C C 91 178.708 178.024 0.684 1
1 1050 . 20 1 1 A 92 92 HIS N N 92 121.501 120.754 0.747 1
1 1051 . 20 1 1 A 92 92 HIS H H 92 7.625 8.336 -0.711 1
1 1052 . 20 1 1 A 92 92 HIS CA C 92 59.553 59.668 -0.115 1
1 1053 . 20 1 1 A 92 92 HIS HA H 92 4.095 4.173 -0.078 1
1 1054 . 20 1 1 A 92 92 HIS CB C 92 28.040 29.758 -1.718 1
1 1061 . 20 1 1 A 92 92 HIS C C 92 176.518 177.417 -0.899 1
1 1062 . 20 1 1 A 93 93 LYS N N 93 116.162 117.952 -1.790 1
1 1063 . 20 1 1 A 93 93 LYS H H 93 8.372 8.022 0.350 1
1 1064 . 20 1 1 A 93 93 LYS CA C 93 60.253 58.442 1.811 1
1 1065 . 20 1 1 A 93 93 LYS HA H 93 3.732 4.118 -0.386 1
1 1066 . 20 1 1 A 93 93 LYS CB C 93 32.158 32.310 -0.152 1
1 1078 . 20 1 1 A 93 93 LYS C C 93 179.211 177.942 1.269 1
1 1079 . 20 1 1 A 94 94 THR N N 94 111.607 112.187 -0.580 1
1 1080 . 20 1 1 A 94 94 THR H H 94 7.434 7.755 -0.321 1
1 1081 . 20 1 1 A 94 94 THR CA C 94 65.106 64.959 0.147 1
1 1082 . 20 1 1 A 94 94 THR HA H 94 4.034 4.208 -0.174 1
1 1083 . 20 1 1 A 94 94 THR CB C 94 69.075 68.987 0.088 1
1 1089 . 20 1 1 A 94 94 THR C C 94 176.406 176.521 -0.115 1
1 1090 . 20 1 1 A 95 95 LEU N N 95 121.689 119.477 2.212 1
1 1091 . 20 1 1 A 95 95 LEU H H 95 7.725 7.720 0.005 1
1 1092 . 20 1 1 A 95 95 LEU CA C 95 56.680 58.052 -1.372 1
1 1093 . 20 1 1 A 95 95 LEU HA H 95 4.020 3.939 0.081 1
1 1094 . 20 1 1 A 95 95 LEU CB C 95 41.186 41.321 -0.135 1
1 1107 . 20 1 1 A 95 95 LEU C C 95 178.956 178.612 0.344 1
1 1108 . 20 1 1 A 96 96 HIS N N 96 114.750 118.611 -3.861 1
1 1109 . 20 1 1 A 96 96 HIS H H 96 7.160 7.644 -0.484 1
1 1110 . 20 1 1 A 96 96 HIS CA C 96 55.206 59.125 -3.919 1
1 1111 . 20 1 1 A 96 96 HIS HA H 96 4.730 4.177 0.553 1
1 1112 . 20 1 1 A 96 96 HIS CB C 96 28.687 29.616 -0.929 1
1 1119 . 20 1 1 A 96 96 HIS C C 96 175.230 175.931 -0.701 1
1 1120 . 20 1 1 A 97 97 MET N N 97 118.984 116.347 2.637 1
1 1121 . 20 1 1 A 97 97 MET H H 97 7.626 7.696 -0.070 1
1 1122 . 20 1 1 A 97 97 MET CA C 97 55.995 55.037 0.958 1
1 1123 . 20 1 1 A 97 97 MET HA H 97 4.424 4.419 0.005 1
1 1124 . 20 1 1 A 97 97 MET CB C 97 33.065 33.525 -0.460 1
1 1134 . 20 1 1 A 97 97 MET C C 97 176.174 175.350 0.824 1
1 1135 . 20 1 1 A 98 98 GLN N N 98 120.828 122.276 -1.448 1
1 1136 . 20 1 1 A 98 98 GLN H H 98 8.271 8.531 -0.260 1
1 1137 . 20 1 1 A 98 98 GLN CA C 98 55.951 55.295 0.656 1
1 1138 . 20 1 1 A 98 98 GLN HA H 98 4.382 4.579 -0.197 1
1 1139 . 20 1 1 A 98 98 GLN CB C 98 29.364 29.797 -0.433 1
1 1148 . 20 1 1 A 98 98 GLN C C 98 176.242 175.418 0.824 1
1 1149 . 20 1 1 A 99 99 THR N N 99 114.965 118.294 -3.329 1
1 1150 . 20 1 1 A 99 99 THR H H 99 8.200 8.416 -0.216 1
1 1151 . 20 1 1 A 99 99 THR CA C 99 61.773 62.109 -0.336 1
1 1152 . 20 1 1 A 99 99 THR HA H 99 4.374 4.383 -0.009 1
1 1153 . 20 1 1 A 99 99 THR CB C 99 69.654 69.041 0.613 1
1 1159 . 20 1 1 A 99 99 THR C C 99 174.491 173.923 0.568 1
1 1160 . 20 1 1 A 100 100 SER N N 100 118.047 120.916 -2.869 1
1 1161 . 20 1 1 A 100 100 SER H H 100 8.311 8.746 -0.435 1
1 1162 . 20 1 1 A 100 100 SER CA C 100 58.240 57.194 1.046 1
1 1163 . 20 1 1 A 100 100 SER HA H 100 4.493 4.882 -0.389 1
1 1164 . 20 1 1 A 100 100 SER CB C 100 63.843 64.565 -0.722 1
1 1167 . 20 1 1 A 100 100 SER C C 100 174.152 172.035 2.117 1
1 1168 . 20 1 1 A 101 101 SER N N 101 118.812 118.862 -0.050 1
1 1169 . 20 1 1 A 101 101 SER H H 101 8.358 8.725 -0.367 1
1 1170 . 20 1 1 A 101 101 SER CA C 101 56.348 55.450 0.898 1
1 1171 . 20 1 1 A 101 101 SER HA H 101 4.773 4.964 -0.191 1
1 1172 . 20 1 1 A 101 101 SER CB C 101 63.554 66.022 -2.468 1
1 1175 . 20 1 1 A 101 101 SER C C 101 172.898 171.937 0.961 1
1 1176 . 20 1 1 A 102 102 PRO CA C 102 63.453 62.615 0.838 1
1 1177 . 20 1 1 A 102 102 PRO HA H 102 4.485 4.641 -0.156 1
1 1178 . 20 1 1 A 102 102 PRO CB C 102 32.126 33.423 -1.297 1
1 1187 . 20 1 1 A 102 102 PRO C C 102 177.181 175.302 1.879 1
1 1188 . 20 1 1 A 103 103 THR N N 103 114.257 115.916 -1.659 1
1 1189 . 20 1 1 A 103 103 THR H H 103 8.188 8.596 -0.408 1
1 1190 . 20 1 1 A 103 103 THR CA C 103 61.748 61.249 0.499 1
1 1191 . 20 1 1 A 103 103 THR HA H 103 4.273 4.776 -0.503 1
1 1192 . 20 1 1 A 103 103 THR CB C 103 69.833 71.734 -1.901 1
1 1198 . 20 1 1 A 103 103 THR C C 103 174.258 172.193 2.065 1
1 1199 . 20 1 1 A 104 104 ALA N N 104 126.872 129.711 -2.839 1
1 1200 . 20 1 1 A 104 104 ALA H H 104 8.240 8.604 -0.364 1
1 1201 . 20 1 1 A 104 104 ALA CA C 104 52.369 51.467 0.902 1
1 1202 . 20 1 1 A 104 104 ALA HA H 104 4.316 5.109 -0.793 1
1 1203 . 20 1 1 A 104 104 ALA CB C 104 19.417 23.327 -3.910 1
1 1207 . 20 1 1 A 104 104 ALA C C 104 177.129 175.454 1.675 1
1 1208 . 20 1 1 A 105 105 ALA N N 105 124.353 121.973 2.380 1
1 1209 . 20 1 1 A 105 105 ALA H H 105 8.312 8.617 -0.305 1
1 1210 . 20 1 1 A 105 105 ALA CA C 105 52.408 51.436 0.972 1
1 1211 . 20 1 1 A 105 105 ALA HA H 105 4.327 5.176 -0.849 1
1 1212 . 20 1 1 A 105 105 ALA CB C 105 19.416 22.543 -3.127 1
1 1216 . 20 1 1 A 105 105 ALA C C 105 176.902 175.624 1.278 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 94 1.083 1
2 1 1 1 "RMS(OBS, PRED)" CA 97 1.236 1
3 1 1 1 "RMS(OBS, PRED)" CB 93 1.446 1
4 1 1 1 "RMS(OBS, PRED)" H 83 0.644 1
5 1 1 1 "RMS(OBS, PRED)" HA 101 0.404 1
6 1 1 1 "RMS(OBS, PRED)" N 83 3.338 1
7 1 2 1 "RMS(OBS, PRED)" C 94 1.204 1
8 1 2 1 "RMS(OBS, PRED)" CA 97 1.328 1
9 1 2 1 "RMS(OBS, PRED)" CB 93 1.683 1
10 1 2 1 "RMS(OBS, PRED)" H 83 0.638 1
11 1 2 1 "RMS(OBS, PRED)" HA 101 0.455 1
12 1 2 1 "RMS(OBS, PRED)" N 83 3.507 1
13 1 3 1 "RMS(OBS, PRED)" C 94 1.106 1
14 1 3 1 "RMS(OBS, PRED)" CA 97 1.234 1
15 1 3 1 "RMS(OBS, PRED)" CB 93 1.545 1
16 1 3 1 "RMS(OBS, PRED)" H 83 0.609 1
17 1 3 1 "RMS(OBS, PRED)" HA 101 0.404 1
18 1 3 1 "RMS(OBS, PRED)" N 83 3.126 1
19 1 4 1 "RMS(OBS, PRED)" C 94 1.126 1
20 1 4 1 "RMS(OBS, PRED)" CA 97 1.224 1
21 1 4 1 "RMS(OBS, PRED)" CB 93 1.741 1
22 1 4 1 "RMS(OBS, PRED)" H 83 0.661 1
23 1 4 1 "RMS(OBS, PRED)" HA 101 0.400 1
24 1 4 1 "RMS(OBS, PRED)" N 83 3.108 1
25 1 5 1 "RMS(OBS, PRED)" C 94 1.060 1
26 1 5 1 "RMS(OBS, PRED)" CA 97 1.249 1
27 1 5 1 "RMS(OBS, PRED)" CB 93 1.670 1
28 1 5 1 "RMS(OBS, PRED)" H 83 0.609 1
29 1 5 1 "RMS(OBS, PRED)" HA 101 0.388 1
30 1 5 1 "RMS(OBS, PRED)" N 83 3.171 1
31 1 6 1 "RMS(OBS, PRED)" C 94 1.086 1
32 1 6 1 "RMS(OBS, PRED)" CA 97 1.429 1
33 1 6 1 "RMS(OBS, PRED)" CB 93 1.630 1
34 1 6 1 "RMS(OBS, PRED)" H 83 0.625 1
35 1 6 1 "RMS(OBS, PRED)" HA 101 0.434 1
36 1 6 1 "RMS(OBS, PRED)" N 83 3.234 1
37 1 7 1 "RMS(OBS, PRED)" C 94 1.032 1
38 1 7 1 "RMS(OBS, PRED)" CA 97 1.315 1
39 1 7 1 "RMS(OBS, PRED)" CB 93 1.612 1
40 1 7 1 "RMS(OBS, PRED)" H 83 0.587 1
41 1 7 1 "RMS(OBS, PRED)" HA 101 0.396 1
42 1 7 1 "RMS(OBS, PRED)" N 83 3.396 1
43 1 8 1 "RMS(OBS, PRED)" C 94 1.128 1
44 1 8 1 "RMS(OBS, PRED)" CA 97 1.404 1
45 1 8 1 "RMS(OBS, PRED)" CB 93 1.673 1
46 1 8 1 "RMS(OBS, PRED)" H 83 0.657 1
47 1 8 1 "RMS(OBS, PRED)" HA 101 0.439 1
48 1 8 1 "RMS(OBS, PRED)" N 83 3.072 1
49 1 9 1 "RMS(OBS, PRED)" C 94 1.121 1
50 1 9 1 "RMS(OBS, PRED)" CA 97 1.298 1
51 1 9 1 "RMS(OBS, PRED)" CB 93 1.677 1
52 1 9 1 "RMS(OBS, PRED)" H 83 0.634 1
53 1 9 1 "RMS(OBS, PRED)" HA 101 0.433 1
54 1 9 1 "RMS(OBS, PRED)" N 83 3.251 1
55 1 10 1 "RMS(OBS, PRED)" C 94 1.015 1
56 1 10 1 "RMS(OBS, PRED)" CA 97 1.402 1
57 1 10 1 "RMS(OBS, PRED)" CB 93 1.408 1
58 1 10 1 "RMS(OBS, PRED)" H 83 0.605 1
59 1 10 1 "RMS(OBS, PRED)" HA 101 0.346 1
60 1 10 1 "RMS(OBS, PRED)" N 83 3.321 1
61 1 11 1 "RMS(OBS, PRED)" C 94 1.106 1
62 1 11 1 "RMS(OBS, PRED)" CA 97 1.307 1
63 1 11 1 "RMS(OBS, PRED)" CB 93 1.491 1
64 1 11 1 "RMS(OBS, PRED)" H 83 0.657 1
65 1 11 1 "RMS(OBS, PRED)" HA 101 0.403 1
66 1 11 1 "RMS(OBS, PRED)" N 83 3.383 1
67 1 12 1 "RMS(OBS, PRED)" C 94 1.093 1
68 1 12 1 "RMS(OBS, PRED)" CA 97 1.314 1
69 1 12 1 "RMS(OBS, PRED)" CB 93 1.709 1
70 1 12 1 "RMS(OBS, PRED)" H 83 0.581 1
71 1 12 1 "RMS(OBS, PRED)" HA 101 0.438 1
72 1 12 1 "RMS(OBS, PRED)" N 83 3.244 1
73 1 13 1 "RMS(OBS, PRED)" C 94 1.047 1
74 1 13 1 "RMS(OBS, PRED)" CA 97 1.280 1
75 1 13 1 "RMS(OBS, PRED)" CB 93 1.576 1
76 1 13 1 "RMS(OBS, PRED)" H 83 0.603 1
77 1 13 1 "RMS(OBS, PRED)" HA 101 0.381 1
78 1 13 1 "RMS(OBS, PRED)" N 83 3.330 1
79 1 14 1 "RMS(OBS, PRED)" C 94 1.132 1
80 1 14 1 "RMS(OBS, PRED)" CA 97 1.501 1
81 1 14 1 "RMS(OBS, PRED)" CB 93 1.681 1
82 1 14 1 "RMS(OBS, PRED)" H 83 0.577 1
83 1 14 1 "RMS(OBS, PRED)" HA 101 0.430 1
84 1 14 1 "RMS(OBS, PRED)" N 83 3.140 1
85 1 15 1 "RMS(OBS, PRED)" C 94 1.076 1
86 1 15 1 "RMS(OBS, PRED)" CA 97 1.356 1
87 1 15 1 "RMS(OBS, PRED)" CB 93 1.561 1
88 1 15 1 "RMS(OBS, PRED)" H 83 0.617 1
89 1 15 1 "RMS(OBS, PRED)" HA 101 0.388 1
90 1 15 1 "RMS(OBS, PRED)" N 83 3.172 1
91 1 16 1 "RMS(OBS, PRED)" C 94 1.206 1
92 1 16 1 "RMS(OBS, PRED)" CA 97 1.165 1
93 1 16 1 "RMS(OBS, PRED)" CB 93 1.664 1
94 1 16 1 "RMS(OBS, PRED)" H 83 0.600 1
95 1 16 1 "RMS(OBS, PRED)" HA 101 0.421 1
96 1 16 1 "RMS(OBS, PRED)" N 83 3.537 1
97 1 17 1 "RMS(OBS, PRED)" C 94 1.149 1
98 1 17 1 "RMS(OBS, PRED)" CA 97 1.156 1
99 1 17 1 "RMS(OBS, PRED)" CB 93 1.633 1
100 1 17 1 "RMS(OBS, PRED)" H 83 0.627 1
101 1 17 1 "RMS(OBS, PRED)" HA 101 0.429 1
102 1 17 1 "RMS(OBS, PRED)" N 83 3.203 1
103 1 18 1 "RMS(OBS, PRED)" C 94 1.187 1
104 1 18 1 "RMS(OBS, PRED)" CA 97 1.291 1
105 1 18 1 "RMS(OBS, PRED)" CB 93 1.826 1
106 1 18 1 "RMS(OBS, PRED)" H 83 0.642 1
107 1 18 1 "RMS(OBS, PRED)" HA 101 0.412 1
108 1 18 1 "RMS(OBS, PRED)" N 83 2.905 1
109 1 19 1 "RMS(OBS, PRED)" C 94 1.085 1
110 1 19 1 "RMS(OBS, PRED)" CA 97 1.424 1
111 1 19 1 "RMS(OBS, PRED)" CB 93 1.477 1
112 1 19 1 "RMS(OBS, PRED)" H 83 0.587 1
113 1 19 1 "RMS(OBS, PRED)" HA 101 0.378 1
114 1 19 1 "RMS(OBS, PRED)" N 83 3.307 1
115 1 20 1 "RMS(OBS, PRED)" C 94 1.094 1
116 1 20 1 "RMS(OBS, PRED)" CA 97 1.151 1
117 1 20 1 "RMS(OBS, PRED)" CB 93 1.619 1
118 1 20 1 "RMS(OBS, PRED)" H 83 0.609 1
119 1 20 1 "RMS(OBS, PRED)" HA 101 0.420 1
120 1 20 1 "RMS(OBS, PRED)" N 83 3.006 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 8 8 GLY CA C 8 45.171 45.468 -0.297 2
1 2 . 1 1 A 8 8 GLY HA2 H 8 3.976 4.193 -0.217 2
1 3 . 1 1 A 8 8 GLY HA3 H 8 3.976 4.194 -0.218 2
1 4 . 1 1 A 8 8 GLY C C 8 173.956 172.571 1.385 2
1 5 . 1 1 A 9 9 ARG N N 9 120.445 121.864 -1.419 2
1 6 . 1 1 A 9 9 ARG H H 9 8.126 8.730 -0.604 2
1 7 . 1 1 A 9 9 ARG CA C 9 55.873 55.133 0.740 2
1 8 . 1 1 A 9 9 ARG HA H 9 4.318 4.923 -0.605 2
1 9 . 1 1 A 9 9 ARG CB C 9 30.899 33.124 -2.225 2
1 18 . 1 1 A 9 9 ARG C C 9 176.192 175.019 1.173 2
1 19 . 1 1 A 10 10 LEU N N 10 125.156 121.597 3.559 2
1 20 . 1 1 A 10 10 LEU H H 10 8.357 8.560 -0.203 2
1 21 . 1 1 A 10 10 LEU CA C 10 53.058 51.739 1.319 2
1 22 . 1 1 A 10 10 LEU HA H 10 4.589 4.785 -0.196 2
1 23 . 1 1 A 10 10 LEU CB C 10 41.599 44.343 -2.744 2
1 36 . 1 1 A 10 10 LEU C C 10 175.327 174.794 0.533 2
1 37 . 1 1 A 11 11 PRO CA C 11 63.064 62.749 0.315 2
1 38 . 1 1 A 11 11 PRO HA H 11 4.416 4.634 -0.218 2
1 39 . 1 1 A 11 11 PRO CB C 11 32.095 32.581 -0.486 2
1 48 . 1 1 A 13 13 LYS CA C 13 56.353 55.710 0.643 2
1 49 . 1 1 A 13 13 LYS HA H 13 4.383 4.736 -0.353 2
1 50 . 1 1 A 13 13 LYS CB C 13 33.019 34.680 -1.661 2
1 62 . 1 1 A 13 13 LYS C C 13 176.694 175.467 1.227 2
1 63 . 1 1 A 14 14 THR N N 14 115.691 115.290 0.401 2
1 64 . 1 1 A 14 14 THR H H 14 8.140 8.532 -0.392 2
1 65 . 1 1 A 14 14 THR CA C 14 61.919 60.920 0.999 2
1 66 . 1 1 A 14 14 THR HA H 14 4.265 4.914 -0.649 2
1 67 . 1 1 A 14 14 THR CB C 14 69.860 70.707 -0.847 2
1 73 . 1 1 A 14 14 THR C C 14 174.261 173.453 0.808 2
1 74 . 1 1 A 15 15 LYS N N 15 124.645 124.769 -0.124 2
1 75 . 1 1 A 15 15 LYS H H 15 8.323 8.615 -0.292 2
1 76 . 1 1 A 15 15 LYS CA C 15 56.226 55.662 0.564 2
1 77 . 1 1 A 15 15 LYS HA H 15 4.278 4.741 -0.463 2
1 78 . 1 1 A 15 15 LYS CB C 15 33.220 35.220 -2.000 2
1 90 . 1 1 A 15 15 LYS C C 15 175.921 175.520 0.401 2
1 91 . 1 1 A 16 16 LYS N N 16 123.830 121.624 2.206 2
1 92 . 1 1 A 16 16 LYS H H 16 8.332 8.392 -0.060 2
1 93 . 1 1 A 16 16 LYS CA C 16 55.966 55.226 0.740 2
1 94 . 1 1 A 16 16 LYS HA H 16 4.192 4.761 -0.569 2
1 95 . 1 1 A 16 16 LYS CB C 16 33.028 34.230 -1.202 2
1 107 . 1 1 A 16 16 LYS C C 16 175.334 175.073 0.261 2
1 108 . 1 1 A 17 17 GLU N N 17 121.077 120.774 0.303 2
1 109 . 1 1 A 17 17 GLU H H 17 7.931 8.402 -0.471 2
1 110 . 1 1 A 17 17 GLU CA C 17 55.463 54.716 0.747 2
1 111 . 1 1 A 17 17 GLU HA H 17 4.300 4.622 -0.322 2
1 112 . 1 1 A 17 17 GLU CB C 17 31.984 32.914 -0.930 2
1 118 . 1 1 A 17 17 GLU C C 17 174.646 174.843 -0.197 2
1 119 . 1 1 A 18 18 PHE N N 18 121.605 117.784 3.821 2
1 120 . 1 1 A 18 18 PHE H H 18 8.560 8.615 -0.055 2
1 121 . 1 1 A 18 18 PHE CA C 18 56.963 56.803 0.160 2
1 122 . 1 1 A 18 18 PHE HA H 18 4.675 5.210 -0.535 2
1 123 . 1 1 A 18 18 PHE CB C 18 39.653 42.597 -2.944 2
1 134 . 1 1 A 18 18 PHE C C 18 173.933 175.228 -1.295 2
1 135 . 1 1 A 19 19 ILE N N 19 123.977 119.989 3.988 2
1 136 . 1 1 A 19 19 ILE H H 19 8.425 8.859 -0.434 2
1 137 . 1 1 A 19 19 ILE CA C 19 59.740 59.784 -0.044 2
1 138 . 1 1 A 19 19 ILE HA H 19 4.654 5.013 -0.358 2
1 139 . 1 1 A 19 19 ILE CB C 19 41.000 41.681 -0.681 2
1 152 . 1 1 A 19 19 ILE C C 19 175.584 174.935 0.649 2
1 153 . 1 1 A 20 20 CYS N N 20 129.741 127.225 2.516 2
1 154 . 1 1 A 20 20 CYS H H 20 9.224 9.094 0.130 2
1 155 . 1 1 A 20 20 CYS CA C 20 59.974 59.428 0.546 2
1 156 . 1 1 A 20 20 CYS HA H 20 4.827 4.479 0.348 2
1 157 . 1 1 A 20 20 CYS CB C 20 30.335 29.008 1.327 2
1 160 . 1 1 A 20 20 CYS C C 20 178.043 175.522 2.521 2
1 161 . 1 1 A 21 21 LYS N N 21 132.598 122.487 10.111 2
1 162 . 1 1 A 21 21 LYS H H 21 9.473 8.412 1.061 2
1 163 . 1 1 A 21 21 LYS CA C 21 58.099 56.739 1.360 2
1 164 . 1 1 A 21 21 LYS HA H 21 4.104 4.491 -0.387 2
1 165 . 1 1 A 21 21 LYS CB C 21 31.695 34.034 -2.339 2
1 177 . 1 1 A 21 21 LYS C C 21 175.765 178.263 -2.498 2
1 178 . 1 1 A 22 22 PHE N N 22 121.000 118.093 2.907 2
1 179 . 1 1 A 22 22 PHE H H 22 9.158 7.942 1.216 2
1 180 . 1 1 A 22 22 PHE CA C 22 59.743 59.764 -0.021 2
1 181 . 1 1 A 22 22 PHE HA H 22 4.394 4.162 0.232 2
1 182 . 1 1 A 22 22 PHE CB C 22 37.953 37.669 0.284 2
1 195 . 1 1 A 22 22 PHE C C 22 176.819 177.116 -0.297 2
1 196 . 1 1 A 23 23 CYS N N 23 115.955 113.535 2.420 2
1 197 . 1 1 A 23 23 CYS H H 23 8.410 7.908 0.502 2
1 198 . 1 1 A 23 23 CYS CA C 23 58.486 59.524 -1.038 2
1 199 . 1 1 A 23 23 CYS HA H 23 5.262 4.720 0.542 2
1 200 . 1 1 A 23 23 CYS CB C 23 33.092 30.266 2.826 2
1 203 . 1 1 A 23 23 CYS C C 23 176.770 175.861 0.909 2
1 204 . 1 1 A 24 24 GLY N N 24 112.575 110.770 1.805 2
1 205 . 1 1 A 24 24 GLY H H 24 8.092 8.287 -0.195 2
1 206 . 1 1 A 24 24 GLY CA C 24 46.302 46.219 0.083 2
1 207 . 1 1 A 24 24 GLY HA2 H 24 4.238 3.967 0.271 2
1 208 . 1 1 A 24 24 GLY HA3 H 24 3.776 3.976 -0.200 2
1 209 . 1 1 A 24 24 GLY C C 24 173.621 174.351 -0.730 2
1 210 . 1 1 A 25 25 ARG N N 25 122.678 121.365 1.312 2
1 211 . 1 1 A 25 25 ARG H H 25 8.079 7.841 0.238 2
1 212 . 1 1 A 25 25 ARG CA C 25 58.063 55.117 2.946 2
1 213 . 1 1 A 25 25 ARG HA H 25 4.096 4.711 -0.615 2
1 214 . 1 1 A 25 25 ARG CB C 25 31.628 32.466 -0.838 2
1 223 . 1 1 A 25 25 ARG C C 25 174.641 175.109 -0.468 2
1 224 . 1 1 A 26 26 HIS N N 26 121.510 123.296 -1.786 2
1 225 . 1 1 A 26 26 HIS H H 26 8.454 8.948 -0.494 2
1 226 . 1 1 A 26 26 HIS CA C 26 55.553 55.165 0.388 2
1 227 . 1 1 A 26 26 HIS HA H 26 5.166 5.267 -0.101 2
1 228 . 1 1 A 26 26 HIS CB C 26 32.066 31.792 0.274 2
1 235 . 1 1 A 26 26 HIS C C 26 174.732 174.556 0.176 2
1 236 . 1 1 A 27 27 PHE N N 27 119.065 119.819 -0.754 2
1 237 . 1 1 A 27 27 PHE H H 27 9.035 8.791 0.244 2
1 238 . 1 1 A 27 27 PHE CA C 27 57.515 56.565 0.950 2
1 239 . 1 1 A 27 27 PHE HA H 27 4.724 4.888 -0.164 2
1 240 . 1 1 A 27 27 PHE CB C 27 43.276 43.345 -0.069 2
1 253 . 1 1 A 27 27 PHE C C 27 175.205 175.762 -0.556 2
1 254 . 1 1 A 28 28 THR CA C 28 62.856 64.100 -1.244 2
1 255 . 1 1 A 28 28 THR HA H 28 4.691 4.371 0.320 2
1 256 . 1 1 A 28 28 THR CB C 28 69.897 69.438 0.459 2
1 262 . 1 1 A 28 28 THR C C 28 174.714 174.526 0.188 2
1 263 . 1 1 A 29 29 LYS N N 29 118.993 120.695 -1.702 2
1 264 . 1 1 A 29 29 LYS H H 29 7.456 7.836 -0.380 2
1 265 . 1 1 A 29 29 LYS CA C 29 54.239 54.802 -0.563 2
1 266 . 1 1 A 29 29 LYS HA H 29 4.573 4.789 -0.216 2
1 267 . 1 1 A 29 29 LYS CB C 29 35.412 34.703 0.709 2
1 279 . 1 1 A 29 29 LYS C C 29 176.395 176.977 -0.582 2
1 280 . 1 1 A 30 30 SER CA C 30 60.921 61.664 -0.743 2
1 281 . 1 1 A 30 30 SER HA H 30 3.025 4.300 -1.275 2
1 282 . 1 1 A 30 30 SER CB C 30 61.703 62.923 -1.220 2
1 285 . 1 1 A 31 31 TYR CA C 31 60.807 61.413 -0.606 2
1 286 . 1 1 A 31 31 TYR HA H 31 4.101 4.172 -0.071 2
1 287 . 1 1 A 31 31 TYR CB C 31 38.408 38.507 -0.099 2
1 298 . 1 1 A 31 31 TYR C C 31 176.455 177.678 -1.223 2
1 299 . 1 1 A 32 32 ASN N N 32 114.304 118.298 -3.994 2
1 300 . 1 1 A 32 32 ASN H H 32 6.481 8.263 -1.782 2
1 301 . 1 1 A 32 32 ASN CA C 32 55.198 56.483 -1.285 2
1 302 . 1 1 A 32 32 ASN HA H 32 4.283 4.510 -0.227 2
1 303 . 1 1 A 32 32 ASN CB C 32 37.912 39.397 -1.485 2
1 309 . 1 1 A 32 32 ASN C C 32 177.633 177.624 0.009 2
1 310 . 1 1 A 33 33 LEU N N 33 121.854 120.444 1.410 2
1 311 . 1 1 A 33 33 LEU H H 33 7.002 7.561 -0.559 2
1 312 . 1 1 A 33 33 LEU CA C 33 57.820 57.624 0.196 2
1 313 . 1 1 A 33 33 LEU HA H 33 2.922 2.790 0.132 2
1 314 . 1 1 A 33 33 LEU CB C 33 40.350 41.422 -1.072 2
1 327 . 1 1 A 33 33 LEU C C 33 176.900 178.118 -1.217 2
1 328 . 1 1 A 34 34 LEU N N 34 120.140 116.726 3.414 2
1 329 . 1 1 A 34 34 LEU H H 34 7.795 7.660 0.135 2
1 330 . 1 1 A 34 34 LEU CA C 34 58.506 57.974 0.532 2
1 331 . 1 1 A 34 34 LEU HA H 34 3.933 3.954 -0.021 2
1 332 . 1 1 A 34 34 LEU CB C 34 41.523 41.336 0.187 2
1 345 . 1 1 A 34 34 LEU C C 34 179.914 179.098 0.816 2
1 346 . 1 1 A 35 35 ILE N N 35 116.693 120.025 -3.332 2
1 347 . 1 1 A 35 35 ILE H H 35 7.368 7.906 -0.538 2
1 348 . 1 1 A 35 35 ILE CA C 35 63.641 65.070 -1.429 2
1 349 . 1 1 A 35 35 ILE HA H 35 3.533 3.652 -0.119 2
1 350 . 1 1 A 35 35 ILE CB C 35 37.380 37.794 -0.414 2
1 363 . 1 1 A 35 35 ILE C C 35 178.700 178.136 0.564 2
1 364 . 1 1 A 36 36 HIS N N 36 119.039 120.438 -1.399 2
1 365 . 1 1 A 36 36 HIS H H 36 7.424 7.997 -0.573 2
1 366 . 1 1 A 36 36 HIS CA C 36 59.486 59.482 0.004 2
1 367 . 1 1 A 36 36 HIS HA H 36 4.282 4.270 0.012 2
1 368 . 1 1 A 36 36 HIS CB C 36 28.563 30.168 -1.605 2
1 375 . 1 1 A 36 36 HIS C C 36 178.907 177.307 1.600 2
1 376 . 1 1 A 37 37 GLU N N 37 122.627 117.814 4.813 2
1 377 . 1 1 A 37 37 GLU H H 37 9.459 8.345 1.114 2
1 378 . 1 1 A 37 37 GLU CA C 37 61.473 59.820 1.653 2
1 379 . 1 1 A 37 37 GLU HA H 37 3.922 3.889 0.033 2
1 380 . 1 1 A 37 37 GLU CB C 37 30.028 29.232 0.796 2
1 386 . 1 1 A 37 37 GLU C C 37 178.840 179.142 -0.302 2
1 387 . 1 1 A 38 38 ARG N N 38 116.143 119.546 -3.403 2
1 388 . 1 1 A 38 38 ARG H H 38 7.244 7.777 -0.533 2
1 389 . 1 1 A 38 38 ARG CA C 38 58.258 58.988 -0.730 2
1 390 . 1 1 A 38 38 ARG HA H 38 4.129 4.029 0.100 2
1 391 . 1 1 A 38 38 ARG CB C 38 30.054 29.800 0.254 2
1 400 . 1 1 A 38 38 ARG C C 38 177.863 178.703 -0.840 2
1 401 . 1 1 A 39 39 THR N N 39 109.313 113.213 -3.900 2
1 402 . 1 1 A 39 39 THR H H 39 7.639 8.065 -0.426 2
1 403 . 1 1 A 39 39 THR CA C 39 63.892 64.800 -0.908 2
1 404 . 1 1 A 39 39 THR HA H 39 4.075 3.961 0.115 2
1 405 . 1 1 A 39 39 THR CB C 39 69.337 68.361 0.976 2
1 411 . 1 1 A 39 39 THR C C 39 175.843 176.040 -0.197 2
1 412 . 1 1 A 40 40 HIS N N 40 119.019 118.343 0.676 2
1 413 . 1 1 A 40 40 HIS H H 40 7.046 7.386 -0.340 2
1 414 . 1 1 A 40 40 HIS CA C 40 55.942 57.701 -1.759 2
1 415 . 1 1 A 40 40 HIS HA H 40 4.410 4.194 0.215 2
1 416 . 1 1 A 40 40 HIS CB C 40 27.446 29.137 -1.691 2
1 423 . 1 1 A 40 40 HIS C C 40 175.528 175.425 0.103 2
1 424 . 1 1 A 41 41 THR N N 41 111.847 111.547 0.300 2
1 425 . 1 1 A 41 41 THR H H 41 7.579 7.484 0.095 2
1 426 . 1 1 A 41 41 THR CA C 41 62.200 62.298 -0.098 2
1 427 . 1 1 A 41 41 THR HA H 41 4.152 4.179 -0.027 2
1 428 . 1 1 A 41 41 THR CB C 41 69.440 69.276 0.164 2
1 434 . 1 1 A 41 41 THR C C 41 174.484 174.006 0.479 2
1 435 . 1 1 A 42 42 ASP N N 42 122.207 124.280 -2.073 2
1 436 . 1 1 A 42 42 ASP H H 42 8.191 8.423 -0.232 2
1 437 . 1 1 A 42 42 ASP CA C 42 54.373 53.287 1.086 2
1 438 . 1 1 A 42 42 ASP HA H 42 4.524 4.881 -0.357 2
1 439 . 1 1 A 42 42 ASP CB C 42 41.045 41.744 -0.699 2
1 442 . 1 1 A 42 42 ASP C C 42 175.869 175.764 0.105 2
1 443 . 1 1 A 43 43 GLU N N 43 120.562 121.611 -1.049 2
1 444 . 1 1 A 43 43 GLU H H 43 8.064 8.390 -0.326 2
1 445 . 1 1 A 43 43 GLU CA C 43 57.378 56.474 0.904 2
1 446 . 1 1 A 43 43 GLU HA H 43 4.098 4.543 -0.445 2
1 447 . 1 1 A 43 43 GLU CB C 43 30.262 30.831 -0.569 2
1 453 . 1 1 A 43 43 GLU C C 43 176.313 175.957 0.356 2
1 454 . 1 1 A 44 44 ARG N N 44 120.015 120.754 -0.739 2
1 455 . 1 1 A 44 44 ARG H H 44 8.190 8.259 -0.069 2
1 456 . 1 1 A 44 44 ARG CA C 44 53.266 54.059 -0.793 2
1 457 . 1 1 A 44 44 ARG HA H 44 4.533 4.642 -0.109 2
1 458 . 1 1 A 44 44 ARG CB C 44 30.702 30.706 -0.005 2
1 467 . 1 1 A 44 44 ARG C C 44 173.360 175.714 -2.354 2
1 468 . 1 1 A 45 45 PRO CA C 45 63.459 64.795 -1.336 2
1 469 . 1 1 A 45 45 PRO HA H 45 4.298 4.378 -0.080 2
1 470 . 1 1 A 45 45 PRO CB C 45 32.219 31.589 0.630 2
1 479 . 1 1 A 45 45 PRO C C 45 176.492 176.134 0.358 2
1 480 . 1 1 A 46 46 TYR N N 46 119.184 118.039 1.145 2
1 481 . 1 1 A 46 46 TYR H H 46 7.840 7.858 -0.018 2
1 482 . 1 1 A 46 46 TYR CA C 46 57.533 57.765 -0.232 2
1 483 . 1 1 A 46 46 TYR HA H 46 4.757 4.681 0.076 2
1 484 . 1 1 A 46 46 TYR CB C 46 38.646 37.668 0.978 2
1 495 . 1 1 A 46 46 TYR C C 46 175.414 175.613 -0.200 2
1 496 . 1 1 A 47 47 THR N N 47 117.631 118.034 -0.403 2
1 497 . 1 1 A 47 47 THR H H 47 8.607 8.396 0.211 2
1 498 . 1 1 A 47 47 THR CA C 47 60.593 61.560 -0.967 2
1 499 . 1 1 A 47 47 THR HA H 47 5.130 5.115 0.015 2
1 500 . 1 1 A 47 47 THR CB C 47 71.076 71.091 -0.015 2
1 506 . 1 1 A 47 47 THR C C 47 173.697 173.746 -0.049 2
1 507 . 1 1 A 48 48 CYS N N 48 127.009 126.045 0.964 2
1 508 . 1 1 A 48 48 CYS H H 48 9.072 8.801 0.271 2
1 509 . 1 1 A 48 48 CYS CA C 48 60.153 59.137 1.016 2
1 510 . 1 1 A 48 48 CYS HA H 48 4.422 4.607 -0.185 2
1 511 . 1 1 A 48 48 CYS CB C 48 29.832 28.887 0.945 2
1 514 . 1 1 A 48 48 CYS C C 48 176.023 174.952 1.071 2
1 515 . 1 1 A 49 49 ASP N N 49 129.691 123.628 6.063 2
1 516 . 1 1 A 49 49 ASP H H 49 9.129 9.056 0.073 2
1 517 . 1 1 A 49 49 ASP CA C 49 55.499 55.297 0.202 2
1 518 . 1 1 A 49 49 ASP HA H 49 4.353 4.686 -0.333 2
1 519 . 1 1 A 49 49 ASP CB C 49 39.656 42.289 -2.633 2
1 522 . 1 1 A 49 49 ASP C C 49 175.094 176.657 -1.563 2
1 523 . 1 1 A 50 50 ILE N N 50 121.649 116.785 4.864 2
1 524 . 1 1 A 50 50 ILE H H 50 8.661 7.563 1.098 2
1 525 . 1 1 A 50 50 ILE CA C 50 62.888 62.795 0.093 2
1 526 . 1 1 A 50 50 ILE HA H 50 3.837 4.103 -0.266 2
1 527 . 1 1 A 50 50 ILE CB C 50 38.652 38.481 0.171 2
1 540 . 1 1 A 50 50 ILE C C 50 176.439 177.722 -1.283 2
1 541 . 1 1 A 51 51 CYS N N 51 116.341 117.834 -1.493 2
1 542 . 1 1 A 51 51 CYS H H 51 7.973 7.929 0.044 2
1 543 . 1 1 A 51 51 CYS CA C 51 58.192 60.191 -1.999 2
1 544 . 1 1 A 51 51 CYS HA H 51 4.922 4.428 0.494 2
1 545 . 1 1 A 51 51 CYS CB C 51 32.086 28.172 3.914 2
1 548 . 1 1 A 51 51 CYS C C 51 175.814 175.162 0.652 2
1 549 . 1 1 A 52 52 HIS N N 52 116.961 117.078 -0.117 2
1 550 . 1 1 A 52 52 HIS H H 52 7.714 8.104 -0.390 2
1 551 . 1 1 A 52 52 HIS CA C 52 58.187 56.517 1.670 2
1 552 . 1 1 A 52 52 HIS HA H 52 4.521 4.234 0.287 2
1 553 . 1 1 A 52 52 HIS CB C 52 27.079 27.270 -0.191 2
1 560 . 1 1 A 52 52 HIS C C 52 174.215 174.369 -0.154 2
1 561 . 1 1 A 53 53 LYS N N 53 122.651 118.567 4.084 2
1 562 . 1 1 A 53 53 LYS H H 53 7.902 7.924 -0.022 2
1 563 . 1 1 A 53 53 LYS CA C 53 58.205 55.494 2.711 2
1 564 . 1 1 A 53 53 LYS HA H 53 4.051 4.314 -0.263 2
1 565 . 1 1 A 53 53 LYS CB C 53 33.868 33.726 0.142 2
1 577 . 1 1 A 53 53 LYS C C 53 173.816 175.657 -1.841 2
1 578 . 1 1 A 54 54 ALA N N 54 124.589 122.154 2.435 2
1 579 . 1 1 A 54 54 ALA H H 54 7.885 8.303 -0.417 2
1 580 . 1 1 A 54 54 ALA CA C 54 50.573 50.249 0.324 2
1 581 . 1 1 A 54 54 ALA HA H 54 5.098 5.512 -0.414 2
1 582 . 1 1 A 54 54 ALA CB C 54 22.290 21.728 0.562 2
1 586 . 1 1 A 54 54 ALA C C 54 176.763 175.981 0.782 2
1 587 . 1 1 A 55 55 PHE N N 55 117.946 118.759 -0.813 2
1 588 . 1 1 A 55 55 PHE H H 55 9.044 8.867 0.177 2
1 589 . 1 1 A 55 55 PHE CA C 55 57.320 56.630 0.690 2
1 590 . 1 1 A 55 55 PHE HA H 55 4.724 4.907 -0.183 2
1 591 . 1 1 A 55 55 PHE CB C 55 43.710 43.427 0.283 2
1 604 . 1 1 A 55 55 PHE C C 55 175.251 175.431 -0.180 2
1 605 . 1 1 A 56 56 ARG N N 56 119.843 121.231 -1.388 2
1 606 . 1 1 A 56 56 ARG H H 56 9.587 8.759 0.828 2
1 607 . 1 1 A 56 56 ARG CA C 56 58.117 57.309 0.808 2
1 608 . 1 1 A 56 56 ARG HA H 56 4.603 4.214 0.389 2
1 609 . 1 1 A 56 56 ARG CB C 56 31.741 31.380 0.361 2
1 618 . 1 1 A 56 56 ARG C C 56 176.201 175.843 0.358 2
1 619 . 1 1 A 57 57 ARG N N 57 113.134 118.374 -5.240 2
1 620 . 1 1 A 57 57 ARG H H 57 7.273 7.647 -0.374 2
1 621 . 1 1 A 57 57 ARG CA C 57 53.978 54.719 -0.741 2
1 622 . 1 1 A 57 57 ARG HA H 57 4.650 4.433 0.217 2
1 623 . 1 1 A 57 57 ARG CB C 57 34.701 31.903 2.798 2
1 632 . 1 1 A 57 57 ARG C C 57 176.296 176.720 -0.424 2
1 633 . 1 1 A 58 58 GLN N N 58 124.070 122.719 1.351 2
1 634 . 1 1 A 58 58 GLN H H 58 8.583 8.859 -0.276 2
1 635 . 1 1 A 58 58 GLN CA C 58 59.036 58.950 0.087 2
1 636 . 1 1 A 58 58 GLN HA H 58 3.004 3.992 -0.988 2
1 637 . 1 1 A 58 58 GLN CB C 58 28.229 28.715 -0.486 2
1 646 . 1 1 A 58 58 GLN C C 58 177.925 177.523 0.402 2
1 647 . 1 1 A 59 59 ASP CA C 59 56.406 57.164 -0.758 2
1 648 . 1 1 A 59 59 ASP HA H 59 4.046 4.285 -0.239 2
1 649 . 1 1 A 59 59 ASP CB C 59 38.248 40.622 -2.374 2
1 652 . 1 1 A 59 59 ASP C C 59 177.698 178.677 -0.979 2
1 653 . 1 1 A 60 60 HIS N N 60 119.173 118.148 1.025 2
1 654 . 1 1 A 60 60 HIS H H 60 6.954 7.884 -0.930 2
1 655 . 1 1 A 60 60 HIS CA C 60 56.843 59.445 -2.602 2
1 656 . 1 1 A 60 60 HIS HA H 60 4.432 4.430 0.002 2
1 657 . 1 1 A 60 60 HIS CB C 60 31.752 30.132 1.620 2
1 664 . 1 1 A 60 60 HIS C C 60 178.617 177.817 0.800 2
1 665 . 1 1 A 61 61 LEU N N 61 120.844 120.795 0.049 2
1 666 . 1 1 A 61 61 LEU H H 61 6.979 7.957 -0.978 2
1 667 . 1 1 A 61 61 LEU CA C 61 57.728 57.330 0.398 2
1 668 . 1 1 A 61 61 LEU HA H 61 3.145 3.056 0.089 2
1 669 . 1 1 A 61 61 LEU CB C 61 40.153 41.398 -1.245 2
1 682 . 1 1 A 61 61 LEU C C 61 176.855 178.364 -1.509 2
1 683 . 1 1 A 62 62 ARG N N 62 120.225 119.427 0.798 2
1 684 . 1 1 A 62 62 ARG H H 62 8.012 8.374 -0.362 2
1 685 . 1 1 A 62 62 ARG CA C 62 59.526 59.618 -0.092 2
1 686 . 1 1 A 62 62 ARG HA H 62 3.724 3.969 -0.245 2
1 687 . 1 1 A 62 62 ARG CB C 62 29.388 30.024 -0.636 2
1 696 . 1 1 A 62 62 ARG C C 62 178.582 178.471 0.111 2
1 697 . 1 1 A 63 63 ASP N N 63 117.219 119.276 -2.057 2
1 698 . 1 1 A 63 63 ASP H H 63 7.823 8.255 -0.432 2
1 699 . 1 1 A 63 63 ASP CA C 63 56.694 56.912 -0.218 2
1 700 . 1 1 A 63 63 ASP HA H 63 4.401 4.409 -0.008 2
1 701 . 1 1 A 63 63 ASP CB C 63 40.226 40.515 -0.289 2
1 704 . 1 1 A 63 63 ASP C C 63 178.560 178.463 0.097 2
1 705 . 1 1 A 64 64 HIS N N 64 119.185 119.907 -0.722 2
1 706 . 1 1 A 64 64 HIS H H 64 7.606 8.219 -0.613 2
1 707 . 1 1 A 64 64 HIS CA C 64 58.772 59.936 -1.164 2
1 708 . 1 1 A 64 64 HIS HA H 64 4.211 4.145 0.066 2
1 709 . 1 1 A 64 64 HIS CB C 64 28.533 29.775 -1.242 2
1 716 . 1 1 A 64 64 HIS C C 64 176.334 177.068 -0.734 2
1 717 . 1 1 A 65 65 ARG N N 65 116.490 117.975 -1.485 2
1 718 . 1 1 A 65 65 ARG H H 65 8.157 8.028 0.129 2
1 719 . 1 1 A 65 65 ARG CA C 65 59.666 59.008 0.658 2
1 720 . 1 1 A 65 65 ARG HA H 65 3.576 4.042 -0.466 2
1 721 . 1 1 A 65 65 ARG CB C 65 29.958 29.887 0.072 2
1 730 . 1 1 A 65 65 ARG C C 65 178.301 178.226 0.075 2
1 731 . 1 1 A 66 66 TYR N N 66 117.286 119.928 -2.642 2
1 732 . 1 1 A 66 66 TYR H H 66 7.169 8.084 -0.914 2
1 733 . 1 1 A 66 66 TYR CA C 66 60.186 61.027 -0.841 2
1 734 . 1 1 A 66 66 TYR HA H 66 4.339 4.169 0.170 2
1 735 . 1 1 A 66 66 TYR CB C 66 37.960 38.373 -0.413 2
1 746 . 1 1 A 66 66 TYR C C 66 178.191 177.968 0.223 2
1 747 . 1 1 A 67 67 ILE N N 67 117.609 116.019 1.590 2
1 748 . 1 1 A 67 67 ILE H H 67 7.883 7.932 -0.049 2
1 749 . 1 1 A 67 67 ILE CA C 67 63.440 63.960 -0.520 2
1 750 . 1 1 A 67 67 ILE HA H 67 3.836 3.776 0.060 2
1 751 . 1 1 A 67 67 ILE CB C 67 37.482 37.158 0.324 2
1 764 . 1 1 A 67 67 ILE C C 67 177.511 176.442 1.069 2
1 765 . 1 1 A 68 68 HIS N N 68 116.764 121.289 -4.525 2
1 766 . 1 1 A 68 68 HIS H H 68 7.140 7.630 -0.490 2
1 767 . 1 1 A 68 68 HIS CA C 68 55.340 55.713 -0.373 2
1 768 . 1 1 A 68 68 HIS HA H 68 4.768 4.612 0.156 2
1 769 . 1 1 A 68 68 HIS CB C 68 28.687 29.618 -0.931 2
1 776 . 1 1 A 68 68 HIS C C 68 175.627 175.179 0.448 2
1 777 . 1 1 A 69 69 SER N N 69 114.870 117.874 -3.004 2
1 778 . 1 1 A 69 69 SER H H 69 7.731 8.466 -0.735 2
1 779 . 1 1 A 69 69 SER CA C 69 59.200 58.559 0.641 2
1 780 . 1 1 A 69 69 SER HA H 69 4.379 4.376 0.003 2
1 781 . 1 1 A 69 69 SER CB C 69 63.765 63.707 0.058 2
1 784 . 1 1 A 69 69 SER C C 69 174.692 174.174 0.518 2
1 785 . 1 1 A 70 70 LYS N N 70 121.978 123.749 -1.771 2
1 786 . 1 1 A 70 70 LYS H H 70 8.063 8.310 -0.247 2
1 787 . 1 1 A 70 70 LYS CA C 70 56.825 56.281 0.544 2
1 788 . 1 1 A 70 70 LYS HA H 70 4.214 4.401 -0.187 2
1 789 . 1 1 A 70 70 LYS CB C 70 32.539 33.269 -0.730 2
1 801 . 1 1 A 70 70 LYS C C 70 176.806 175.586 1.220 2
1 802 . 1 1 A 71 71 GLU N N 71 120.177 123.467 -3.290 2
1 803 . 1 1 A 71 71 GLU H H 71 8.008 8.567 -0.559 2
1 804 . 1 1 A 71 71 GLU CA C 71 56.472 56.144 0.328 2
1 805 . 1 1 A 71 71 GLU HA H 71 4.191 4.525 -0.334 2
1 806 . 1 1 A 71 71 GLU CB C 71 29.335 31.260 -1.925 2
1 811 . 1 1 A 71 71 GLU C C 71 176.040 175.651 0.389 2
1 812 . 1 1 A 72 72 LYS N N 72 121.800 123.881 -2.081 2
1 813 . 1 1 A 72 72 LYS H H 72 8.277 8.468 -0.191 2
1 814 . 1 1 A 72 72 LYS CA C 72 53.820 53.544 0.276 2
1 815 . 1 1 A 72 72 LYS HA H 72 4.391 4.552 -0.161 2
1 816 . 1 1 A 72 72 LYS CB C 72 32.139 32.855 -0.716 2
1 828 . 1 1 A 72 72 LYS C C 72 174.768 176.218 -1.450 2
1 829 . 1 1 A 73 73 PRO CA C 73 63.978 64.593 -0.615 2
1 830 . 1 1 A 73 73 PRO HA H 73 4.144 4.408 -0.264 2
1 831 . 1 1 A 73 73 PRO CB C 73 31.953 31.798 0.155 2
1 840 . 1 1 A 73 73 PRO C C 73 176.402 176.725 -0.323 2
1 841 . 1 1 A 74 74 PHE N N 74 117.425 116.112 1.313 2
1 842 . 1 1 A 74 74 PHE H H 74 7.686 7.785 -0.099 2
1 843 . 1 1 A 74 74 PHE CA C 74 57.020 57.508 -0.488 2
1 844 . 1 1 A 74 74 PHE HA H 74 4.691 4.645 0.046 2
1 845 . 1 1 A 74 74 PHE CB C 74 39.403 39.142 0.261 2
1 856 . 1 1 A 74 74 PHE C C 74 174.442 174.614 -0.172 2
1 857 . 1 1 A 75 75 LYS N N 75 123.931 120.916 3.015 2
1 858 . 1 1 A 75 75 LYS H H 75 8.590 8.255 0.335 2
1 859 . 1 1 A 75 75 LYS CA C 75 54.951 54.845 0.106 2
1 860 . 1 1 A 75 75 LYS HA H 75 5.021 4.946 0.075 2
1 861 . 1 1 A 75 75 LYS CB C 75 35.286 35.652 -0.366 2
1 873 . 1 1 A 75 75 LYS C C 75 175.465 175.096 0.369 2
1 874 . 1 1 A 76 76 CYS N N 76 126.279 123.847 2.432 2
1 875 . 1 1 A 76 76 CYS H H 76 9.149 9.017 0.132 2
1 876 . 1 1 A 76 76 CYS CA C 76 59.553 59.624 -0.071 2
1 877 . 1 1 A 76 76 CYS HA H 76 4.462 4.529 -0.067 2
1 878 . 1 1 A 76 76 CYS CB C 76 29.772 28.787 0.986 2
1 881 . 1 1 A 76 76 CYS C C 76 177.367 175.159 2.208 2
1 882 . 1 1 A 77 77 GLN CA C 77 58.117 57.271 0.846 2
1 883 . 1 1 A 77 77 GLN HA H 77 4.130 4.341 -0.211 2
1 884 . 1 1 A 77 77 GLN CB C 77 28.479 29.301 -0.822 2
1 893 . 1 1 A 77 77 GLN C C 77 176.283 177.959 -1.676 2
1 894 . 1 1 A 78 78 GLU N N 78 120.320 119.261 1.059 2
1 895 . 1 1 A 78 78 GLU H H 78 8.682 7.985 0.697 2
1 896 . 1 1 A 78 78 GLU CA C 78 58.540 58.872 -0.332 2
1 897 . 1 1 A 78 78 GLU HA H 78 4.165 4.009 0.156 2
1 898 . 1 1 A 78 78 GLU CB C 78 29.469 28.931 0.538 2
1 904 . 1 1 A 78 78 GLU C C 78 177.275 178.384 -1.109 2
1 905 . 1 1 A 79 79 CYS N N 79 114.728 114.734 -0.006 2
1 906 . 1 1 A 79 79 CYS H H 79 8.018 7.481 0.537 2
1 907 . 1 1 A 79 79 CYS CA C 79 58.271 59.795 -1.524 2
1 908 . 1 1 A 79 79 CYS HA H 79 5.142 4.568 0.574 2
1 909 . 1 1 A 79 79 CYS CB C 79 32.339 29.515 2.824 2
1 912 . 1 1 A 79 79 CYS C C 79 176.280 175.622 0.658 2
1 913 . 1 1 A 80 80 GLY N N 80 113.675 110.682 2.993 2
1 914 . 1 1 A 80 80 GLY H H 80 8.133 8.237 -0.104 2
1 915 . 1 1 A 80 80 GLY CA C 80 46.206 46.531 -0.325 2
1 916 . 1 1 A 80 80 GLY HA2 H 80 4.213 3.962 0.251 2
1 917 . 1 1 A 80 80 GLY HA3 H 80 3.755 4.001 -0.246 2
1 918 . 1 1 A 80 80 GLY C C 80 173.619 174.636 -1.017 2
1 919 . 1 1 A 81 81 LYS N N 81 122.811 118.485 4.326 2
1 920 . 1 1 A 81 81 LYS H H 81 7.945 7.844 0.101 2
1 921 . 1 1 A 81 81 LYS CA C 81 58.211 55.226 2.985 2
1 922 . 1 1 A 81 81 LYS HA H 81 3.947 4.414 -0.467 2
1 923 . 1 1 A 81 81 LYS CB C 81 33.921 33.743 0.178 2
1 935 . 1 1 A 81 81 LYS C C 81 174.639 176.250 -1.611 2
1 936 . 1 1 A 82 82 GLY N N 82 108.366 109.187 -0.821 2
1 937 . 1 1 A 82 82 GLY H H 82 7.936 8.339 -0.403 2
1 938 . 1 1 A 82 82 GLY CA C 82 44.048 46.235 -2.187 2
1 939 . 1 1 A 82 82 GLY HA2 H 82 4.847 3.926 0.921 2
1 940 . 1 1 A 82 82 GLY HA3 H 82 3.291 3.970 -0.679 2
1 941 . 1 1 A 82 82 GLY C C 82 172.166 173.616 -1.450 2
1 942 . 1 1 A 83 83 PHE N N 83 117.822 121.921 -4.099 2
1 943 . 1 1 A 83 83 PHE H H 83 8.697 7.923 0.774 2
1 944 . 1 1 A 83 83 PHE CA C 83 57.338 58.255 -0.917 2
1 945 . 1 1 A 83 83 PHE HA H 83 4.755 4.576 0.179 2
1 946 . 1 1 A 83 83 PHE CB C 83 43.462 39.812 3.650 2
1 959 . 1 1 A 83 83 PHE C C 83 175.424 175.998 -0.574 2
1 960 . 1 1 A 84 84 CYS CA C 84 60.706 59.861 0.845 2
1 961 . 1 1 A 84 84 CYS HA H 84 4.608 4.634 -0.026 2
1 962 . 1 1 A 84 84 CYS CB C 84 28.990 28.841 0.149 2
1 965 . 1 1 A 84 84 CYS C C 84 174.163 174.453 -0.290 2
1 966 . 1 1 A 85 85 GLN N N 85 114.620 120.170 -5.550 2
1 967 . 1 1 A 85 85 GLN H H 85 7.326 7.821 -0.494 2
1 968 . 1 1 A 85 85 GLN CA C 85 54.098 54.381 -0.283 2
1 969 . 1 1 A 85 85 GLN HA H 85 4.648 4.693 -0.045 2
1 970 . 1 1 A 85 85 GLN CB C 85 32.066 31.210 0.856 2
1 979 . 1 1 A 85 85 GLN C C 85 175.230 175.916 -0.686 2
1 980 . 1 1 A 86 86 SER CA C 86 61.164 60.535 0.628 2
1 981 . 1 1 A 86 86 SER HA H 86 3.078 4.302 -1.224 2
1 982 . 1 1 A 86 86 SER CB C 86 61.738 63.541 -1.803 2
1 985 . 1 1 A 87 87 ARG CA C 87 58.886 58.915 -0.029 2
1 986 . 1 1 A 87 87 ARG HA H 87 4.049 4.062 -0.013 2
1 987 . 1 1 A 87 87 ARG CB C 87 29.519 30.155 -0.636 2
1 996 . 1 1 A 87 87 ARG C C 87 177.520 178.443 -0.923 2
1 997 . 1 1 A 88 88 THR N N 88 112.500 115.529 -3.029 2
1 998 . 1 1 A 88 88 THR H H 88 6.796 7.986 -1.190 2
1 999 . 1 1 A 88 88 THR CA C 88 64.598 66.312 -1.714 2
1 1000 . 1 1 A 88 88 THR HA H 88 3.844 3.977 -0.133 2
1 1001 . 1 1 A 88 88 THR CB C 88 67.809 68.517 -0.708 2
1 1007 . 1 1 A 88 88 THR C C 88 177.343 176.199 1.144 2
1 1008 . 1 1 A 89 89 LEU N N 89 123.163 121.606 1.557 2
1 1009 . 1 1 A 89 89 LEU H H 89 6.898 7.958 -1.060 2
1 1010 . 1 1 A 89 89 LEU CA C 89 57.692 57.526 0.166 2
1 1011 . 1 1 A 89 89 LEU HA H 89 3.147 3.451 -0.304 2
1 1012 . 1 1 A 89 89 LEU CB C 89 40.133 41.398 -1.265 2
1 1025 . 1 1 A 89 89 LEU C C 89 176.886 178.388 -1.502 2
1 1026 . 1 1 A 90 90 ALA N N 90 120.747 120.880 -0.133 2
1 1027 . 1 1 A 90 90 ALA H H 90 7.837 7.955 -0.118 2
1 1028 . 1 1 A 90 90 ALA CA C 90 55.646 55.246 0.400 2
1 1029 . 1 1 A 90 90 ALA HA H 90 3.914 4.019 -0.105 2
1 1030 . 1 1 A 90 90 ALA CB C 90 17.722 18.526 -0.804 2
1 1034 . 1 1 A 90 90 ALA C C 90 180.692 179.834 0.858 2
1 1035 . 1 1 A 91 91 VAL N N 91 117.181 118.082 -0.901 2
1 1036 . 1 1 A 91 91 VAL H H 91 7.475 7.916 -0.441 2
1 1037 . 1 1 A 91 91 VAL CA C 91 65.880 65.952 -0.072 2
1 1038 . 1 1 A 91 91 VAL HA H 91 3.662 3.717 -0.055 2
1 1039 . 1 1 A 91 91 VAL CB C 91 32.018 31.575 0.443 2
1 1049 . 1 1 A 91 91 VAL C C 91 178.708 177.970 0.738 2
1 1050 . 1 1 A 92 92 HIS N N 92 121.501 119.930 1.571 2
1 1051 . 1 1 A 92 92 HIS H H 92 7.625 8.138 -0.513 2
1 1052 . 1 1 A 92 92 HIS CA C 92 59.553 59.618 -0.065 2
1 1053 . 1 1 A 92 92 HIS HA H 92 4.095 4.128 -0.033 2
1 1054 . 1 1 A 92 92 HIS CB C 92 28.040 29.846 -1.806 2
1 1061 . 1 1 A 92 92 HIS C C 92 176.518 176.926 -0.408 2
1 1062 . 1 1 A 93 93 LYS N N 93 116.162 117.714 -1.552 2
1 1063 . 1 1 A 93 93 LYS H H 93 8.372 8.041 0.331 2
1 1064 . 1 1 A 93 93 LYS CA C 93 60.253 59.215 1.038 2
1 1065 . 1 1 A 93 93 LYS HA H 93 3.732 3.897 -0.165 2
1 1066 . 1 1 A 93 93 LYS CB C 93 32.158 32.373 -0.215 2
1 1078 . 1 1 A 93 93 LYS C C 93 179.211 178.611 0.600 2
1 1079 . 1 1 A 94 94 THR N N 94 111.607 113.344 -1.737 2
1 1080 . 1 1 A 94 94 THR H H 94 7.434 8.010 -0.576 2
1 1081 . 1 1 A 94 94 THR CA C 94 65.106 65.449 -0.343 2
1 1082 . 1 1 A 94 94 THR HA H 94 4.034 4.070 -0.036 2
1 1083 . 1 1 A 94 94 THR CB C 94 69.075 68.359 0.716 2
1 1089 . 1 1 A 94 94 THR C C 94 176.406 176.762 -0.356 2
1 1090 . 1 1 A 95 95 LEU N N 95 121.689 122.080 -0.391 2
1 1091 . 1 1 A 95 95 LEU H H 95 7.725 7.878 -0.153 2
1 1092 . 1 1 A 95 95 LEU CA C 95 56.680 57.637 -0.957 2
1 1093 . 1 1 A 95 95 LEU HA H 95 4.020 3.922 0.098 2
1 1094 . 1 1 A 95 95 LEU CB C 95 41.186 41.500 -0.314 2
1 1107 . 1 1 A 95 95 LEU C C 95 178.956 178.321 0.634 2
1 1108 . 1 1 A 96 96 HIS N N 96 114.750 116.071 -1.321 2
1 1109 . 1 1 A 96 96 HIS H H 96 7.160 7.623 -0.463 2
1 1110 . 1 1 A 96 96 HIS CA C 96 55.206 56.733 -1.528 2
1 1111 . 1 1 A 96 96 HIS HA H 96 4.730 4.509 0.221 2
1 1112 . 1 1 A 96 96 HIS CB C 96 28.687 29.059 -0.373 2
1 1119 . 1 1 A 96 96 HIS C C 96 175.230 175.130 0.100 2
1 1120 . 1 1 A 97 97 MET N N 97 118.984 116.815 2.169 2
1 1121 . 1 1 A 97 97 MET H H 97 7.626 7.705 -0.079 2
1 1122 . 1 1 A 97 97 MET CA C 97 55.995 54.913 1.082 2
1 1123 . 1 1 A 97 97 MET HA H 97 4.424 4.686 -0.261 2
1 1124 . 1 1 A 97 97 MET CB C 97 33.065 34.375 -1.310 2
1 1134 . 1 1 A 97 97 MET C C 97 176.174 175.354 0.820 2
1 1135 . 1 1 A 98 98 GLN N N 98 120.828 120.213 0.615 2
1 1136 . 1 1 A 98 98 GLN H H 98 8.271 8.583 -0.312 2
1 1137 . 1 1 A 98 98 GLN CA C 98 55.951 55.159 0.792 2
1 1138 . 1 1 A 98 98 GLN HA H 98 4.382 4.706 -0.324 2
1 1139 . 1 1 A 98 98 GLN CB C 98 29.364 30.888 -1.524 2
1 1148 . 1 1 A 98 98 GLN C C 98 176.242 174.897 1.345 2
1 1149 . 1 1 A 99 99 THR N N 99 114.965 117.487 -2.522 2
1 1150 . 1 1 A 99 99 THR H H 99 8.200 8.603 -0.403 2
1 1151 . 1 1 A 99 99 THR CA C 99 61.773 61.638 0.135 2
1 1152 . 1 1 A 99 99 THR HA H 99 4.374 4.754 -0.380 2
1 1153 . 1 1 A 99 99 THR CB C 99 69.654 70.445 -0.791 2
1 1159 . 1 1 A 99 99 THR C C 99 174.491 173.939 0.552 2
1 1160 . 1 1 A 100 100 SER N N 100 118.047 120.166 -2.119 2
1 1161 . 1 1 A 100 100 SER H H 100 8.311 8.692 -0.381 2
1 1162 . 1 1 A 100 100 SER CA C 100 58.240 58.228 0.012 2
1 1163 . 1 1 A 100 100 SER HA H 100 4.493 4.708 -0.215 2
1 1164 . 1 1 A 100 100 SER CB C 100 63.843 64.315 -0.472 2
1 1167 . 1 1 A 100 100 SER C C 100 174.152 173.565 0.587 2
1 1168 . 1 1 A 101 101 SER N N 101 118.812 118.958 -0.146 2
1 1169 . 1 1 A 101 101 SER H H 101 8.358 8.519 -0.161 2
1 1170 . 1 1 A 101 101 SER CA C 101 56.348 56.531 -0.183 2
1 1171 . 1 1 A 101 101 SER HA H 101 4.773 4.876 -0.103 2
1 1172 . 1 1 A 101 101 SER CB C 101 63.554 64.424 -0.870 2
1 1175 . 1 1 A 101 101 SER C C 101 172.898 172.821 0.077 2
1 1176 . 1 1 A 102 102 PRO CA C 102 63.453 62.768 0.685 2
1 1177 . 1 1 A 102 102 PRO HA H 102 4.485 4.619 -0.134 2
1 1178 . 1 1 A 102 102 PRO CB C 102 32.126 32.705 -0.579 2
1 1187 . 1 1 A 102 102 PRO C C 102 177.181 176.048 1.133 2
1 1188 . 1 1 A 103 103 THR N N 103 114.257 113.998 0.259 2
1 1189 . 1 1 A 103 103 THR H H 103 8.188 8.406 -0.218 2
1 1190 . 1 1 A 103 103 THR CA C 103 61.748 61.801 -0.053 2
1 1191 . 1 1 A 103 103 THR HA H 103 4.273 4.544 -0.271 2
1 1192 . 1 1 A 103 103 THR CB C 103 69.833 70.304 -0.471 2
1 1198 . 1 1 A 103 103 THR C C 103 174.258 173.638 0.620 2
1 1199 . 1 1 A 104 104 ALA N N 104 126.872 125.408 1.464 2
1 1200 . 1 1 A 104 104 ALA H H 104 8.240 8.323 -0.083 2
1 1201 . 1 1 A 104 104 ALA CA C 104 52.369 51.926 0.443 2
1 1202 . 1 1 A 104 104 ALA HA H 104 4.316 4.691 -0.375 2
1 1203 . 1 1 A 104 104 ALA CB C 104 19.417 21.372 -1.955 2
1 1207 . 1 1 A 104 104 ALA C C 104 177.129 176.189 0.940 2
1 1208 . 1 1 A 105 105 ALA N N 105 124.353 121.132 3.221 2
1 1209 . 1 1 A 105 105 ALA H H 105 8.312 8.377 -0.065 2
1 1210 . 1 1 A 105 105 ALA CA C 105 52.408 51.924 0.484 2
1 1211 . 1 1 A 105 105 ALA HA H 105 4.327 4.693 -0.366 2
1 1212 . 1 1 A 105 105 ALA CB C 105 19.416 21.382 -1.966 2
1 1216 . 1 1 A 105 105 ALA C C 105 176.902 176.286 0.616 2
stop_
save_