data_10189_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10189
_Entry.PDB_ID 2EOM
_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 HIS CA C 8 56.329 56.737 -0.408 1
1 2 . 1 1 1 A 8 8 HIS HA H 8 4.628 4.246 0.382 1
1 3 . 1 1 1 A 8 8 HIS CB C 8 30.709 28.286 2.423 1
1 10 . 1 1 1 A 9 9 GLY CA C 9 45.330 45.222 0.108 1
1 11 . 1 1 1 A 9 9 GLY HA3 H 9 3.909 4.146 -0.237 1
1 12 . 1 1 1 A 9 9 GLY C C 9 174.145 174.173 -0.028 1
1 13 . 1 1 1 A 9 9 GLY HA2 H 9 3.909 4.140 -0.231 1
1 14 . 1 1 1 A 10 10 GLU N N 10 120.846 121.721 -0.875 1
1 15 . 1 1 1 A 10 10 GLU H H 10 8.353 8.497 -0.144 1
1 16 . 1 1 1 A 10 10 GLU CA C 10 56.524 56.081 0.443 1
1 17 . 1 1 1 A 10 10 GLU HA H 10 4.225 4.174 0.051 1
1 18 . 1 1 1 A 10 10 GLU CB C 10 30.384 28.948 1.436 1
1 22 . 1 1 1 A 10 10 GLU C C 10 176.348 175.325 1.023 1
1 25 . 1 1 1 A 11 11 ARG N N 11 121.539 122.238 -0.699 1
1 26 . 1 1 1 A 11 11 ARG H H 11 8.281 8.024 0.257 1
1 27 . 1 1 1 A 11 11 ARG CA C 11 56.005 54.705 1.300 1
1 28 . 1 1 1 A 11 11 ARG HA H 11 4.316 4.612 -0.296 1
1 29 . 1 1 1 A 11 11 ARG CB C 11 31.130 31.539 -0.409 1
1 35 . 1 1 1 A 11 11 ARG C C 11 176.001 176.065 -0.064 1
1 39 . 1 1 1 A 12 12 GLY N N 12 107.819 115.298 -7.479 1
1 40 . 1 1 1 A 12 12 GLY H H 12 8.075 8.811 -0.736 1
1 41 . 1 1 1 A 12 12 GLY CA C 12 44.814 44.818 -0.004 1
1 42 . 1 1 1 A 12 12 GLY HA3 H 12 4.014 3.893 0.121 1
1 43 . 1 1 1 A 12 12 GLY C C 12 172.193 172.395 -0.202 1
1 44 . 1 1 1 A 12 12 GLY HA2 H 12 3.651 3.686 -0.035 1
1 45 . 1 1 1 A 13 13 HIS N N 13 119.279 118.306 0.973 1
1 46 . 1 1 1 A 13 13 HIS H H 13 8.024 7.846 0.178 1
1 47 . 1 1 1 A 13 13 HIS CA C 13 55.118 54.173 0.945 1
1 48 . 1 1 1 A 13 13 HIS HA H 13 4.235 4.800 -0.565 1
1 49 . 1 1 1 A 13 13 HIS CB C 13 31.866 31.816 0.050 1
1 55 . 1 1 1 A 13 13 HIS C C 13 173.211 173.416 -0.205 1
1 57 . 1 1 1 A 14 14 ARG N N 14 124.116 125.289 -1.173 1
1 58 . 1 1 1 A 14 14 ARG H H 14 8.606 8.999 -0.393 1
1 59 . 1 1 1 A 14 14 ARG CA C 14 54.263 54.561 -0.298 1
1 60 . 1 1 1 A 14 14 ARG HA H 14 4.820 5.450 -0.630 1
1 61 . 1 1 1 A 14 14 ARG CB C 14 32.523 32.638 -0.115 1
1 67 . 1 1 1 A 14 14 ARG C C 14 175.690 176.486 -0.796 1
1 71 . 1 1 1 A 15 15 CYS N N 15 128.999 125.290 3.709 1
1 72 . 1 1 1 A 15 15 CYS H H 15 9.354 9.159 0.195 1
1 73 . 1 1 1 A 15 15 CYS CA C 15 59.902 59.445 0.457 1
1 74 . 1 1 1 A 15 15 CYS HA H 15 4.843 4.954 -0.111 1
1 75 . 1 1 1 A 15 15 CYS CB C 15 30.080 29.285 0.795 1
1 77 . 1 1 1 A 15 15 CYS C C 15 177.294 174.962 2.332 1
1 79 . 1 1 1 A 16 16 SER CA C 16 61.138 59.988 1.150 1
1 80 . 1 1 1 A 16 16 SER HA H 16 4.245 4.513 -0.268 1
1 81 . 1 1 1 A 16 16 SER CB C 16 63.060 63.851 -0.791 1
1 83 . 1 1 1 A 16 16 SER C C 16 174.763 176.212 -1.449 1
1 85 . 1 1 1 A 17 17 ASP N N 17 121.918 122.183 -0.265 1
1 86 . 1 1 1 A 17 17 ASP H H 17 8.415 7.601 0.814 1
1 87 . 1 1 1 A 17 17 ASP CA C 17 57.173 57.204 -0.031 1
1 88 . 1 1 1 A 17 17 ASP HA H 17 4.602 4.219 0.383 1
1 89 . 1 1 1 A 17 17 ASP CB C 17 41.250 39.684 1.566 1
1 91 . 1 1 1 A 17 17 ASP C C 17 176.420 177.620 -1.200 1
1 93 . 1 1 1 A 18 18 CYS N N 18 114.553 114.278 0.275 1
1 94 . 1 1 1 A 18 18 CYS H H 18 7.796 7.438 0.358 1
1 95 . 1 1 1 A 18 18 CYS CA C 18 58.608 59.538 -0.930 1
1 96 . 1 1 1 A 18 18 CYS HA H 18 5.206 4.617 0.589 1
1 97 . 1 1 1 A 18 18 CYS CB C 18 32.187 29.940 2.247 1
1 99 . 1 1 1 A 18 18 CYS C C 18 176.107 175.598 0.509 1
1 101 . 1 1 1 A 19 19 GLY N N 19 113.601 110.372 3.229 1
1 102 . 1 1 1 A 19 19 GLY H H 19 8.268 8.279 -0.011 1
1 103 . 1 1 1 A 19 19 GLY CA C 19 46.294 45.682 0.612 1
1 104 . 1 1 1 A 19 19 GLY HA3 H 19 4.251 4.127 0.124 1
1 105 . 1 1 1 A 19 19 GLY C C 19 173.687 174.406 -0.719 1
1 106 . 1 1 1 A 19 19 GLY HA2 H 19 3.794 4.093 -0.299 1
1 107 . 1 1 1 A 20 20 LYS N N 20 121.922 119.026 2.896 1
1 108 . 1 1 1 A 20 20 LYS H H 20 7.833 8.012 -0.179 1
1 109 . 1 1 1 A 20 20 LYS CA C 20 58.157 55.441 2.716 1
1 110 . 1 1 1 A 20 20 LYS HA H 20 4.133 4.794 -0.661 1
1 111 . 1 1 1 A 20 20 LYS CB C 20 34.348 34.589 -0.241 1
1 119 . 1 1 1 A 20 20 LYS C C 20 174.006 175.336 -1.330 1
1 124 . 1 1 1 A 21 21 PHE N N 21 121.592 122.638 -1.046 1
1 125 . 1 1 1 A 21 21 PHE H H 21 8.197 8.716 -0.519 1
1 126 . 1 1 1 A 21 21 PHE CA C 21 57.064 56.755 0.309 1
1 127 . 1 1 1 A 21 21 PHE HA H 21 5.118 5.635 -0.517 1
1 128 . 1 1 1 A 21 21 PHE CB C 21 42.295 43.213 -0.918 1
1 140 . 1 1 1 A 21 21 PHE C C 21 174.756 173.313 1.443 1
1 142 . 1 1 1 A 22 22 PHE N N 22 122.744 122.744 0.000 1
1 143 . 1 1 1 A 22 22 PHE H H 22 8.535 7.672 0.863 1
1 144 . 1 1 1 A 22 22 PHE CA C 22 56.937 56.293 0.644 1
1 145 . 1 1 1 A 22 22 PHE HA H 22 4.467 4.955 -0.488 1
1 146 . 1 1 1 A 22 22 PHE CB C 22 42.745 44.261 -1.516 1
1 158 . 1 1 1 A 22 22 PHE C C 22 174.570 174.884 -0.314 1
1 160 . 1 1 1 A 23 23 LEU N N 23 124.547 120.828 3.719 1
1 161 . 1 1 1 A 23 23 LEU H H 23 8.632 8.445 0.187 1
1 162 . 1 1 1 A 23 23 LEU CA C 23 57.016 55.578 1.438 1
1 163 . 1 1 1 A 23 23 LEU HA H 23 4.190 4.440 -0.250 1
1 164 . 1 1 1 A 23 23 LEU CB C 23 43.006 43.791 -0.785 1
1 176 . 1 1 1 A 23 23 LEU C C 23 177.399 176.288 1.111 1
1 178 . 1 1 1 A 24 24 GLN N N 24 115.779 118.229 -2.450 1
1 179 . 1 1 1 A 24 24 GLN H H 24 8.246 7.583 0.663 1
1 180 . 1 1 1 A 24 24 GLN CA C 24 54.687 54.894 -0.207 1
1 181 . 1 1 1 A 24 24 GLN HA H 24 4.787 4.616 0.171 1
1 182 . 1 1 1 A 24 24 GLN CB C 24 29.974 28.734 1.240 1
1 189 . 1 1 1 A 24 24 GLN C C 24 176.712 176.192 0.520 1
1 192 . 1 1 1 A 25 25 ALA CA C 25 55.575 55.567 0.008 1
1 193 . 1 1 1 A 25 25 ALA HA H 25 3.542 3.395 0.147 1
1 194 . 1 1 1 A 25 25 ALA CB C 25 18.019 18.337 -0.318 1
1 198 . 1 1 1 A 25 25 ALA C C 25 179.282 179.468 -0.186 1
1 199 . 1 1 1 A 26 26 SER N N 26 111.647 112.697 -1.050 1
1 200 . 1 1 1 A 26 26 SER H H 26 8.886 8.396 0.490 1
1 201 . 1 1 1 A 26 26 SER CA C 26 61.362 61.378 -0.016 1
1 202 . 1 1 1 A 26 26 SER HA H 26 4.039 4.142 -0.103 1
1 203 . 1 1 1 A 26 26 SER CB C 26 61.561 62.352 -0.791 1
1 205 . 1 1 1 A 26 26 SER C C 26 177.406 177.431 -0.025 1
1 207 . 1 1 1 A 27 27 ASN N N 27 119.503 119.081 0.422 1
1 208 . 1 1 1 A 27 27 ASN H H 27 7.021 8.228 -1.207 1
1 209 . 1 1 1 A 27 27 ASN CA C 27 55.428 56.400 -0.972 1
1 210 . 1 1 1 A 27 27 ASN HA H 27 4.575 4.431 0.144 1
1 211 . 1 1 1 A 27 27 ASN CB C 27 38.410 38.059 0.351 1
1 216 . 1 1 1 A 27 27 ASN C C 27 177.285 178.109 -0.824 1
1 218 . 1 1 1 A 28 28 PHE N N 28 123.068 121.826 1.242 1
1 219 . 1 1 1 A 28 28 PHE H H 28 7.786 8.064 -0.278 1
1 220 . 1 1 1 A 28 28 PHE CA C 28 60.488 60.117 0.371 1
1 221 . 1 1 1 A 28 28 PHE HA H 28 3.240 3.124 0.116 1
1 222 . 1 1 1 A 28 28 PHE CB C 28 38.809 39.049 -0.240 1
1 234 . 1 1 1 A 28 28 PHE C C 28 175.850 176.794 -0.944 1
1 236 . 1 1 1 A 29 29 ILE N N 29 119.421 119.500 -0.079 1
1 237 . 1 1 1 A 29 29 ILE H H 29 8.501 7.943 0.558 1
1 238 . 1 1 1 A 29 29 ILE CA C 29 64.558 64.403 0.155 1
1 239 . 1 1 1 A 29 29 ILE HA H 29 3.221 3.455 -0.234 1
1 240 . 1 1 1 A 29 29 ILE CB C 29 37.818 37.428 0.390 1
1 252 . 1 1 1 A 29 29 ILE C C 29 178.885 178.802 0.083 1
1 254 . 1 1 1 A 30 30 GLN N N 30 117.482 117.595 -0.113 1
1 255 . 1 1 1 A 30 30 GLN H H 30 7.343 7.919 -0.576 1
1 256 . 1 1 1 A 30 30 GLN CA C 30 58.656 57.748 0.908 1
1 257 . 1 1 1 A 30 30 GLN HA H 30 3.885 4.088 -0.203 1
1 258 . 1 1 1 A 30 30 GLN CB C 30 28.460 28.386 0.074 1
1 265 . 1 1 1 A 30 30 GLN C C 30 178.347 177.376 0.971 1
1 268 . 1 1 1 A 31 31 HIS N N 31 119.125 120.629 -1.504 1
1 269 . 1 1 1 A 31 31 HIS H H 31 7.738 7.882 -0.144 1
1 270 . 1 1 1 A 31 31 HIS CA C 31 59.348 58.563 0.785 1
1 271 . 1 1 1 A 31 31 HIS HA H 31 4.052 4.240 -0.188 1
1 272 . 1 1 1 A 31 31 HIS CB C 31 28.129 29.905 -1.776 1
1 278 . 1 1 1 A 31 31 HIS C C 31 176.394 176.960 -0.566 1
1 280 . 1 1 1 A 32 32 ARG N N 32 115.404 118.140 -2.736 1
1 281 . 1 1 1 A 32 32 ARG H H 32 7.920 7.542 0.378 1
1 282 . 1 1 1 A 32 32 ARG CA C 32 58.191 58.100 0.091 1
1 283 . 1 1 1 A 32 32 ARG HA H 32 3.510 4.004 -0.494 1
1 284 . 1 1 1 A 32 32 ARG CB C 32 28.088 29.750 -1.662 1
1 290 . 1 1 1 A 32 32 ARG C C 32 177.828 178.111 -0.283 1
1 294 . 1 1 1 A 33 33 ARG N N 33 116.284 118.232 -1.948 1
1 295 . 1 1 1 A 33 33 ARG H H 33 7.025 7.759 -0.734 1
1 296 . 1 1 1 A 33 33 ARG CA C 33 58.538 59.062 -0.524 1
1 297 . 1 1 1 A 33 33 ARG HA H 33 4.094 3.983 0.111 1
1 298 . 1 1 1 A 33 33 ARG CB C 33 29.994 30.351 -0.357 1
1 304 . 1 1 1 A 33 33 ARG C C 33 178.632 178.920 -0.288 1
1 308 . 1 1 1 A 34 34 ILE N N 34 116.774 116.911 -0.137 1
1 309 . 1 1 1 A 34 34 ILE H H 34 7.715 7.587 0.128 1
1 310 . 1 1 1 A 34 34 ILE CA C 34 63.294 64.085 -0.791 1
1 311 . 1 1 1 A 34 34 ILE HA H 34 3.886 3.731 0.155 1
1 312 . 1 1 1 A 34 34 ILE CB C 34 37.481 37.264 0.217 1
1 324 . 1 1 1 A 34 34 ILE C C 34 177.422 177.340 0.082 1
1 326 . 1 1 1 A 35 35 HIS N N 35 117.061 119.690 -2.629 1
1 327 . 1 1 1 A 35 35 HIS H H 35 7.143 7.396 -0.253 1
1 328 . 1 1 1 A 35 35 HIS CA C 35 55.554 59.374 -3.820 1
1 329 . 1 1 1 A 35 35 HIS HA H 35 4.798 4.283 0.515 1
1 330 . 1 1 1 A 35 35 HIS CB C 35 28.994 30.607 -1.613 1
1 336 . 1 1 1 A 35 35 HIS C C 35 176.009 175.499 0.510 1
1 338 . 1 1 1 A 36 36 THR N N 36 110.946 110.376 0.570 1
1 339 . 1 1 1 A 36 36 THR H H 36 7.834 8.000 -0.166 1
1 340 . 1 1 1 A 36 36 THR CA C 36 62.550 62.508 0.042 1
1 341 . 1 1 1 A 36 36 THR HA H 36 4.312 4.188 0.124 1
1 342 . 1 1 1 A 36 36 THR CB C 36 69.804 68.692 1.112 1
1 348 . 1 1 1 A 36 36 THR C C 36 175.635 174.335 1.300 1
1 349 . 1 1 1 A 37 37 GLY N N 37 110.649 110.709 -0.060 1
1 350 . 1 1 1 A 37 37 GLY H H 37 8.196 8.364 -0.168 1
1 351 . 1 1 1 A 37 37 GLY CA C 37 45.414 46.065 -0.651 1
1 352 . 1 1 1 A 37 37 GLY HA3 H 37 3.920 4.123 -0.203 1
1 353 . 1 1 1 A 37 37 GLY C C 37 174.050 173.322 0.728 1
1 354 . 1 1 1 A 37 37 GLY HA2 H 37 4.016 4.122 -0.106 1
1 355 . 1 1 1 A 38 38 GLU N N 38 120.504 122.091 -1.587 1
1 356 . 1 1 1 A 38 38 GLU H H 38 8.039 8.104 -0.065 1
1 357 . 1 1 1 A 38 38 GLU CA C 38 56.537 55.181 1.356 1
1 358 . 1 1 1 A 38 38 GLU HA H 38 4.215 4.765 -0.550 1
1 359 . 1 1 1 A 38 38 GLU CB C 38 30.588 32.152 -1.564 1
1 363 . 1 1 1 A 38 38 GLU C C 38 176.107 175.317 0.790 1
1 366 . 1 1 1 A 39 39 LYS N N 39 123.777 123.637 0.140 1
1 367 . 1 1 1 A 39 39 LYS H H 39 8.401 9.125 -0.724 1
1 368 . 1 1 1 A 39 39 LYS CA C 39 54.099 53.347 0.752 1
1 369 . 1 1 1 A 39 39 LYS HA H 39 4.599 5.004 -0.405 1
1 370 . 1 1 1 A 39 39 LYS CB C 39 32.530 35.655 -3.125 1
1 378 . 1 1 1 A 39 39 LYS C C 39 174.452 174.134 0.318 1
1 383 . 1 1 1 A 40 40 PRO CA C 40 63.195 62.849 0.346 1
1 384 . 1 1 1 A 40 40 PRO HA H 40 4.445 4.428 0.017 1
1 385 . 1 1 1 A 40 40 PRO CB C 40 32.187 32.083 0.104 1
1 391 . 1 1 1 A 40 40 PRO C C 40 176.911 176.989 -0.078 1
1 395 . 1 1 1 A 41 41 SER N N 41 116.485 118.373 -1.888 1
1 396 . 1 1 1 A 41 41 SER H H 41 8.449 8.434 0.015 1
1 397 . 1 1 1 A 41 41 SER CA C 41 58.467 60.380 -1.913 1
1 398 . 1 1 1 A 41 41 SER HA H 41 4.468 4.070 0.398 1
1 399 . 1 1 1 A 41 41 SER CB C 41 63.909 62.901 1.008 1
1 401 . 1 1 1 A 41 41 SER C C 41 174.617 175.373 -0.756 1
1 403 . 1 1 1 A 42 42 GLY N N 42 110.609 113.335 -2.726 1
1 404 . 1 1 1 A 42 42 GLY H H 42 8.216 8.718 -0.502 1
1 405 . 1 1 1 A 42 42 GLY CA C 42 44.673 45.039 -0.366 1
1 406 . 1 1 1 A 42 42 GLY HA3 H 42 4.114 4.089 0.025 1
1 407 . 1 1 1 A 42 42 GLY C C 42 171.713 173.415 -1.702 1
1 408 . 1 1 1 A 42 42 GLY HA2 H 42 4.158 4.089 0.069 1
1 409 . 1 1 1 A 43 43 PRO CA C 43 63.260 62.733 0.527 1
1 410 . 1 1 1 A 43 43 PRO HA H 43 4.484 4.704 -0.220 1
1 411 . 1 1 1 A 43 43 PRO CB C 43 32.216 31.686 0.530 1
1 417 . 1 1 1 A 43 43 PRO C C 43 177.352 176.410 0.942 1
1 421 . 1 1 1 A 44 44 SER N N 44 116.409 115.028 1.381 1
1 422 . 1 1 1 A 44 44 SER H H 44 8.511 8.382 0.129 1
1 423 . 1 1 1 A 44 44 SER CA C 44 58.392 56.475 1.917 1
1 424 . 1 1 1 A 44 44 SER HA H 44 4.466 4.962 -0.496 1
1 425 . 1 1 1 A 44 44 SER CB C 44 63.748 65.925 -2.177 1
1 427 . 1 1 1 A 44 44 SER C C 44 174.615 173.536 1.079 1
1 429 . 1 1 1 A 45 45 SER N N 45 117.817 117.796 0.021 1
1 430 . 1 1 1 A 45 45 SER H H 45 8.303 8.625 -0.322 1
1 431 . 1 1 1 A 45 45 SER CA C 45 58.381 58.481 -0.100 1
1 432 . 1 1 1 A 45 45 SER HA H 45 4.452 4.672 -0.220 1
1 433 . 1 1 1 A 45 45 SER CB C 45 64.070 63.781 0.289 1
1 435 . 1 1 1 A 45 45 SER C C 45 173.885 174.728 -0.843 1
1 1 . 2 1 1 A 8 8 HIS CA C 8 56.329 53.427 2.902 1
1 2 . 2 1 1 A 8 8 HIS HA H 8 4.628 5.583 -0.955 1
1 3 . 2 1 1 A 8 8 HIS CB C 8 30.709 33.480 -2.771 1
1 10 . 2 1 1 A 9 9 GLY CA C 9 45.330 45.739 -0.409 1
1 11 . 2 1 1 A 9 9 GLY HA3 H 9 3.909 4.153 -0.244 1
1 12 . 2 1 1 A 9 9 GLY C C 9 174.145 174.731 -0.586 1
1 13 . 2 1 1 A 9 9 GLY HA2 H 9 3.909 4.065 -0.156 1
1 14 . 2 1 1 A 10 10 GLU N N 10 120.846 123.325 -2.479 1
1 15 . 2 1 1 A 10 10 GLU H H 10 8.353 8.780 -0.427 1
1 16 . 2 1 1 A 10 10 GLU CA C 10 56.524 59.488 -2.964 1
1 17 . 2 1 1 A 10 10 GLU HA H 10 4.225 4.019 0.206 1
1 18 . 2 1 1 A 10 10 GLU CB C 10 30.384 29.782 0.602 1
1 22 . 2 1 1 A 10 10 GLU C C 10 176.348 176.759 -0.411 1
1 25 . 2 1 1 A 11 11 ARG N N 11 121.539 119.042 2.497 1
1 26 . 2 1 1 A 11 11 ARG H H 11 8.281 8.138 0.143 1
1 27 . 2 1 1 A 11 11 ARG CA C 11 56.005 55.666 0.339 1
1 28 . 2 1 1 A 11 11 ARG HA H 11 4.316 4.554 -0.238 1
1 29 . 2 1 1 A 11 11 ARG CB C 11 31.130 31.740 -0.610 1
1 35 . 2 1 1 A 11 11 ARG C C 11 176.001 176.022 -0.021 1
1 39 . 2 1 1 A 12 12 GLY N N 12 107.819 114.651 -6.832 1
1 40 . 2 1 1 A 12 12 GLY H H 12 8.075 8.437 -0.362 1
1 41 . 2 1 1 A 12 12 GLY CA C 12 44.814 44.599 0.215 1
1 42 . 2 1 1 A 12 12 GLY HA3 H 12 4.014 3.865 0.149 1
1 43 . 2 1 1 A 12 12 GLY C C 12 172.193 172.304 -0.111 1
1 44 . 2 1 1 A 12 12 GLY HA2 H 12 3.651 3.731 -0.080 1
1 45 . 2 1 1 A 13 13 HIS N N 13 119.279 118.266 1.013 1
1 46 . 2 1 1 A 13 13 HIS H H 13 8.024 7.760 0.264 1
1 47 . 2 1 1 A 13 13 HIS CA C 13 55.118 54.065 1.053 1
1 48 . 2 1 1 A 13 13 HIS HA H 13 4.235 4.811 -0.576 1
1 49 . 2 1 1 A 13 13 HIS CB C 13 31.866 31.838 0.028 1
1 55 . 2 1 1 A 13 13 HIS C C 13 173.211 173.269 -0.058 1
1 57 . 2 1 1 A 14 14 ARG N N 14 124.116 125.381 -1.265 1
1 58 . 2 1 1 A 14 14 ARG H H 14 8.606 8.888 -0.282 1
1 59 . 2 1 1 A 14 14 ARG CA C 14 54.263 54.933 -0.670 1
1 60 . 2 1 1 A 14 14 ARG HA H 14 4.820 5.300 -0.480 1
1 61 . 2 1 1 A 14 14 ARG CB C 14 32.523 32.125 0.398 1
1 67 . 2 1 1 A 14 14 ARG C C 14 175.690 176.497 -0.807 1
1 71 . 2 1 1 A 15 15 CYS N N 15 128.999 125.234 3.765 1
1 72 . 2 1 1 A 15 15 CYS H H 15 9.354 9.109 0.245 1
1 73 . 2 1 1 A 15 15 CYS CA C 15 59.902 59.413 0.489 1
1 74 . 2 1 1 A 15 15 CYS HA H 15 4.843 5.018 -0.175 1
1 75 . 2 1 1 A 15 15 CYS CB C 15 30.080 29.472 0.608 1
1 77 . 2 1 1 A 15 15 CYS C C 15 177.294 174.816 2.478 1
1 79 . 2 1 1 A 16 16 SER CA C 16 61.138 59.940 1.198 1
1 80 . 2 1 1 A 16 16 SER HA H 16 4.245 4.585 -0.340 1
1 81 . 2 1 1 A 16 16 SER CB C 16 63.060 64.159 -1.099 1
1 83 . 2 1 1 A 16 16 SER C C 16 174.763 175.204 -0.441 1
1 85 . 2 1 1 A 17 17 ASP N N 17 121.918 122.143 -0.225 1
1 86 . 2 1 1 A 17 17 ASP H H 17 8.415 7.828 0.587 1
1 87 . 2 1 1 A 17 17 ASP CA C 17 57.173 57.121 0.052 1
1 88 . 2 1 1 A 17 17 ASP HA H 17 4.602 4.215 0.387 1
1 89 . 2 1 1 A 17 17 ASP CB C 17 41.250 39.720 1.530 1
1 91 . 2 1 1 A 17 17 ASP C C 17 176.420 177.673 -1.253 1
1 93 . 2 1 1 A 18 18 CYS N N 18 114.553 114.254 0.299 1
1 94 . 2 1 1 A 18 18 CYS H H 18 7.796 7.391 0.405 1
1 95 . 2 1 1 A 18 18 CYS CA C 18 58.608 59.594 -0.986 1
1 96 . 2 1 1 A 18 18 CYS HA H 18 5.206 4.606 0.600 1
1 97 . 2 1 1 A 18 18 CYS CB C 18 32.187 29.844 2.343 1
1 99 . 2 1 1 A 18 18 CYS C C 18 176.107 175.579 0.528 1
1 101 . 2 1 1 A 19 19 GLY N N 19 113.601 110.435 3.166 1
1 102 . 2 1 1 A 19 19 GLY H H 19 8.268 8.278 -0.010 1
1 103 . 2 1 1 A 19 19 GLY CA C 19 46.294 45.552 0.742 1
1 104 . 2 1 1 A 19 19 GLY HA3 H 19 4.251 4.150 0.101 1
1 105 . 2 1 1 A 19 19 GLY C C 19 173.687 174.412 -0.725 1
1 106 . 2 1 1 A 19 19 GLY HA2 H 19 3.794 4.118 -0.324 1
1 107 . 2 1 1 A 20 20 LYS N N 20 121.922 119.136 2.786 1
1 108 . 2 1 1 A 20 20 LYS H H 20 7.833 8.012 -0.179 1
1 109 . 2 1 1 A 20 20 LYS CA C 20 58.157 55.496 2.661 1
1 110 . 2 1 1 A 20 20 LYS HA H 20 4.133 4.760 -0.627 1
1 111 . 2 1 1 A 20 20 LYS CB C 20 34.348 34.593 -0.245 1
1 119 . 2 1 1 A 20 20 LYS C C 20 174.006 175.304 -1.298 1
1 124 . 2 1 1 A 21 21 PHE N N 21 121.592 122.726 -1.134 1
1 125 . 2 1 1 A 21 21 PHE H H 21 8.197 8.715 -0.518 1
1 126 . 2 1 1 A 21 21 PHE CA C 21 57.064 56.737 0.327 1
1 127 . 2 1 1 A 21 21 PHE HA H 21 5.118 5.639 -0.521 1
1 128 . 2 1 1 A 21 21 PHE CB C 21 42.295 43.222 -0.927 1
1 140 . 2 1 1 A 21 21 PHE C C 21 174.756 173.309 1.447 1
1 142 . 2 1 1 A 22 22 PHE N N 22 122.744 122.748 -0.004 1
1 143 . 2 1 1 A 22 22 PHE H H 22 8.535 7.977 0.558 1
1 144 . 2 1 1 A 22 22 PHE CA C 22 56.937 56.161 0.776 1
1 145 . 2 1 1 A 22 22 PHE HA H 22 4.467 4.966 -0.499 1
1 146 . 2 1 1 A 22 22 PHE CB C 22 42.745 44.436 -1.691 1
1 158 . 2 1 1 A 22 22 PHE C C 22 174.570 174.889 -0.319 1
1 160 . 2 1 1 A 23 23 LEU N N 23 124.547 120.809 3.738 1
1 161 . 2 1 1 A 23 23 LEU H H 23 8.632 8.547 0.085 1
1 162 . 2 1 1 A 23 23 LEU CA C 23 57.016 55.586 1.430 1
1 163 . 2 1 1 A 23 23 LEU HA H 23 4.190 4.471 -0.281 1
1 164 . 2 1 1 A 23 23 LEU CB C 23 43.006 43.872 -0.866 1
1 176 . 2 1 1 A 23 23 LEU C C 23 177.399 176.301 1.098 1
1 178 . 2 1 1 A 24 24 GLN N N 24 115.779 118.444 -2.665 1
1 179 . 2 1 1 A 24 24 GLN H H 24 8.246 7.544 0.702 1
1 180 . 2 1 1 A 24 24 GLN CA C 24 54.687 54.926 -0.239 1
1 181 . 2 1 1 A 24 24 GLN HA H 24 4.787 4.613 0.174 1
1 182 . 2 1 1 A 24 24 GLN CB C 24 29.974 28.864 1.110 1
1 189 . 2 1 1 A 24 24 GLN C C 24 176.712 176.227 0.485 1
1 192 . 2 1 1 A 25 25 ALA CA C 25 55.575 55.616 -0.041 1
1 193 . 2 1 1 A 25 25 ALA HA H 25 3.542 3.509 0.033 1
1 194 . 2 1 1 A 25 25 ALA CB C 25 18.019 18.316 -0.297 1
1 198 . 2 1 1 A 25 25 ALA C C 25 179.282 179.499 -0.217 1
1 199 . 2 1 1 A 26 26 SER N N 26 111.647 112.710 -1.063 1
1 200 . 2 1 1 A 26 26 SER H H 26 8.886 8.375 0.511 1
1 201 . 2 1 1 A 26 26 SER CA C 26 61.362 61.404 -0.042 1
1 202 . 2 1 1 A 26 26 SER HA H 26 4.039 4.150 -0.111 1
1 203 . 2 1 1 A 26 26 SER CB C 26 61.561 62.394 -0.833 1
1 205 . 2 1 1 A 26 26 SER C C 26 177.406 177.440 -0.034 1
1 207 . 2 1 1 A 27 27 ASN N N 27 119.503 119.917 -0.414 1
1 208 . 2 1 1 A 27 27 ASN H H 27 7.021 8.220 -1.199 1
1 209 . 2 1 1 A 27 27 ASN CA C 27 55.428 56.419 -0.991 1
1 210 . 2 1 1 A 27 27 ASN HA H 27 4.575 4.435 0.140 1
1 211 . 2 1 1 A 27 27 ASN CB C 27 38.410 38.080 0.330 1
1 216 . 2 1 1 A 27 27 ASN C C 27 177.285 178.183 -0.898 1
1 218 . 2 1 1 A 28 28 PHE N N 28 123.068 121.786 1.282 1
1 219 . 2 1 1 A 28 28 PHE H H 28 7.786 8.096 -0.310 1
1 220 . 2 1 1 A 28 28 PHE CA C 28 60.488 60.192 0.296 1
1 221 . 2 1 1 A 28 28 PHE HA H 28 3.240 3.155 0.085 1
1 222 . 2 1 1 A 28 28 PHE CB C 28 38.809 39.096 -0.287 1
1 234 . 2 1 1 A 28 28 PHE C C 28 175.850 176.805 -0.955 1
1 236 . 2 1 1 A 29 29 ILE N N 29 119.421 119.525 -0.104 1
1 237 . 2 1 1 A 29 29 ILE H H 29 8.501 7.950 0.551 1
1 238 . 2 1 1 A 29 29 ILE CA C 29 64.558 64.350 0.208 1
1 239 . 2 1 1 A 29 29 ILE HA H 29 3.221 3.448 -0.227 1
1 240 . 2 1 1 A 29 29 ILE CB C 29 37.818 37.410 0.408 1
1 252 . 2 1 1 A 29 29 ILE C C 29 178.885 178.793 0.092 1
1 254 . 2 1 1 A 30 30 GLN N N 30 117.482 117.617 -0.135 1
1 255 . 2 1 1 A 30 30 GLN H H 30 7.343 7.944 -0.601 1
1 256 . 2 1 1 A 30 30 GLN CA C 30 58.656 57.750 0.906 1
1 257 . 2 1 1 A 30 30 GLN HA H 30 3.885 4.085 -0.200 1
1 258 . 2 1 1 A 30 30 GLN CB C 30 28.460 28.387 0.073 1
1 265 . 2 1 1 A 30 30 GLN C C 30 178.347 177.369 0.978 1
1 268 . 2 1 1 A 31 31 HIS N N 31 119.125 120.572 -1.447 1
1 269 . 2 1 1 A 31 31 HIS H H 31 7.738 7.880 -0.142 1
1 270 . 2 1 1 A 31 31 HIS CA C 31 59.348 58.536 0.812 1
1 271 . 2 1 1 A 31 31 HIS HA H 31 4.052 4.239 -0.187 1
1 272 . 2 1 1 A 31 31 HIS CB C 31 28.129 30.006 -1.877 1
1 278 . 2 1 1 A 31 31 HIS C C 31 176.394 177.016 -0.622 1
1 280 . 2 1 1 A 32 32 ARG N N 32 115.404 118.186 -2.782 1
1 281 . 2 1 1 A 32 32 ARG H H 32 7.920 7.523 0.397 1
1 282 . 2 1 1 A 32 32 ARG CA C 32 58.191 58.070 0.121 1
1 283 . 2 1 1 A 32 32 ARG HA H 32 3.510 3.990 -0.480 1
1 284 . 2 1 1 A 32 32 ARG CB C 32 28.088 29.740 -1.652 1
1 290 . 2 1 1 A 32 32 ARG C C 32 177.828 177.773 0.055 1
1 294 . 2 1 1 A 33 33 ARG N N 33 116.284 118.214 -1.930 1
1 295 . 2 1 1 A 33 33 ARG H H 33 7.025 7.783 -0.758 1
1 296 . 2 1 1 A 33 33 ARG CA C 33 58.538 58.993 -0.455 1
1 297 . 2 1 1 A 33 33 ARG HA H 33 4.094 3.987 0.107 1
1 298 . 2 1 1 A 33 33 ARG CB C 33 29.994 30.210 -0.216 1
1 304 . 2 1 1 A 33 33 ARG C C 33 178.632 178.916 -0.284 1
1 308 . 2 1 1 A 34 34 ILE N N 34 116.774 116.917 -0.143 1
1 309 . 2 1 1 A 34 34 ILE H H 34 7.715 7.572 0.143 1
1 310 . 2 1 1 A 34 34 ILE CA C 34 63.294 64.088 -0.794 1
1 311 . 2 1 1 A 34 34 ILE HA H 34 3.886 3.709 0.177 1
1 312 . 2 1 1 A 34 34 ILE CB C 34 37.481 37.179 0.302 1
1 324 . 2 1 1 A 34 34 ILE C C 34 177.422 177.607 -0.185 1
1 326 . 2 1 1 A 35 35 HIS N N 35 117.061 121.150 -4.089 1
1 327 . 2 1 1 A 35 35 HIS H H 35 7.143 7.524 -0.381 1
1 328 . 2 1 1 A 35 35 HIS CA C 35 55.554 59.823 -4.269 1
1 329 . 2 1 1 A 35 35 HIS HA H 35 4.798 4.141 0.657 1
1 330 . 2 1 1 A 35 35 HIS CB C 35 28.994 29.946 -0.952 1
1 336 . 2 1 1 A 35 35 HIS C C 35 176.009 177.810 -1.801 1
1 338 . 2 1 1 A 36 36 THR N N 36 110.946 112.121 -1.175 1
1 339 . 2 1 1 A 36 36 THR H H 36 7.834 8.555 -0.721 1
1 340 . 2 1 1 A 36 36 THR CA C 36 62.550 65.481 -2.931 1
1 341 . 2 1 1 A 36 36 THR HA H 36 4.312 3.925 0.387 1
1 342 . 2 1 1 A 36 36 THR CB C 36 69.804 68.067 1.737 1
1 348 . 2 1 1 A 36 36 THR C C 36 175.635 176.794 -1.159 1
1 349 . 2 1 1 A 37 37 GLY N N 37 110.649 110.733 -0.084 1
1 350 . 2 1 1 A 37 37 GLY H H 37 8.196 8.196 0.000 1
1 351 . 2 1 1 A 37 37 GLY CA C 37 45.414 47.412 -1.998 1
1 352 . 2 1 1 A 37 37 GLY HA3 H 37 3.920 3.766 0.154 1
1 353 . 2 1 1 A 37 37 GLY C C 37 174.050 174.065 -0.015 1
1 354 . 2 1 1 A 37 37 GLY HA2 H 37 4.016 3.755 0.261 1
1 355 . 2 1 1 A 38 38 GLU N N 38 120.504 119.755 0.749 1
1 356 . 2 1 1 A 38 38 GLU H H 38 8.039 7.639 0.400 1
1 357 . 2 1 1 A 38 38 GLU CA C 38 56.537 54.852 1.685 1
1 358 . 2 1 1 A 38 38 GLU HA H 38 4.215 4.793 -0.578 1
1 359 . 2 1 1 A 38 38 GLU CB C 38 30.588 32.565 -1.977 1
1 363 . 2 1 1 A 38 38 GLU C C 38 176.107 174.834 1.273 1
1 366 . 2 1 1 A 39 39 LYS N N 39 123.777 125.908 -2.131 1
1 367 . 2 1 1 A 39 39 LYS H H 39 8.401 8.690 -0.289 1
1 368 . 2 1 1 A 39 39 LYS CA C 39 54.099 53.016 1.083 1
1 369 . 2 1 1 A 39 39 LYS HA H 39 4.599 4.794 -0.195 1
1 370 . 2 1 1 A 39 39 LYS CB C 39 32.530 33.894 -1.364 1
1 378 . 2 1 1 A 39 39 LYS C C 39 174.452 173.890 0.562 1
1 383 . 2 1 1 A 40 40 PRO CA C 40 63.195 62.630 0.565 1
1 384 . 2 1 1 A 40 40 PRO HA H 40 4.445 4.495 -0.050 1
1 385 . 2 1 1 A 40 40 PRO CB C 40 32.187 32.191 -0.004 1
1 391 . 2 1 1 A 40 40 PRO C C 40 176.911 176.300 0.611 1
1 395 . 2 1 1 A 41 41 SER N N 41 116.485 118.140 -1.655 1
1 396 . 2 1 1 A 41 41 SER H H 41 8.449 8.437 0.012 1
1 397 . 2 1 1 A 41 41 SER CA C 41 58.467 59.523 -1.056 1
1 398 . 2 1 1 A 41 41 SER HA H 41 4.468 4.332 0.136 1
1 399 . 2 1 1 A 41 41 SER CB C 41 63.909 63.139 0.770 1
1 401 . 2 1 1 A 41 41 SER C C 41 174.617 174.820 -0.203 1
1 403 . 2 1 1 A 42 42 GLY N N 42 110.609 115.141 -4.532 1
1 404 . 2 1 1 A 42 42 GLY H H 42 8.216 8.956 -0.740 1
1 405 . 2 1 1 A 42 42 GLY CA C 42 44.673 47.148 -2.475 1
1 406 . 2 1 1 A 42 42 GLY HA3 H 42 4.114 3.835 0.279 1
1 407 . 2 1 1 A 42 42 GLY C C 42 171.713 173.975 -2.262 1
1 408 . 2 1 1 A 42 42 GLY HA2 H 42 4.158 3.834 0.324 1
1 409 . 2 1 1 A 43 43 PRO CA C 43 63.260 62.725 0.535 1
1 410 . 2 1 1 A 43 43 PRO HA H 43 4.484 4.564 -0.080 1
1 411 . 2 1 1 A 43 43 PRO CB C 43 32.216 32.471 -0.255 1
1 417 . 2 1 1 A 43 43 PRO C C 43 177.352 176.828 0.524 1
1 421 . 2 1 1 A 44 44 SER N N 44 116.409 115.731 0.678 1
1 422 . 2 1 1 A 44 44 SER H H 44 8.511 8.604 -0.093 1
1 423 . 2 1 1 A 44 44 SER CA C 44 58.392 60.820 -2.428 1
1 424 . 2 1 1 A 44 44 SER HA H 44 4.466 4.287 0.179 1
1 425 . 2 1 1 A 44 44 SER CB C 44 63.748 64.173 -0.425 1
1 427 . 2 1 1 A 44 44 SER C C 44 174.615 175.298 -0.683 1
1 429 . 2 1 1 A 45 45 SER N N 45 117.817 116.687 1.130 1
1 430 . 2 1 1 A 45 45 SER H H 45 8.303 8.151 0.152 1
1 431 . 2 1 1 A 45 45 SER CA C 45 58.381 59.048 -0.667 1
1 432 . 2 1 1 A 45 45 SER HA H 45 4.452 4.161 0.291 1
1 433 . 2 1 1 A 45 45 SER CB C 45 64.070 61.043 3.027 1
1 435 . 2 1 1 A 45 45 SER C C 45 173.885 174.019 -0.134 1
1 1 . 3 1 1 A 8 8 HIS CA C 8 56.329 54.201 2.128 1
1 2 . 3 1 1 A 8 8 HIS HA H 8 4.628 4.953 -0.325 1
1 3 . 3 1 1 A 8 8 HIS CB C 8 30.709 33.753 -3.044 1
1 10 . 3 1 1 A 9 9 GLY CA C 9 45.330 44.939 0.391 1
1 11 . 3 1 1 A 9 9 GLY HA3 H 9 3.909 4.075 -0.166 1
1 12 . 3 1 1 A 9 9 GLY C C 9 174.145 174.328 -0.183 1
1 13 . 3 1 1 A 9 9 GLY HA2 H 9 3.909 4.069 -0.160 1
1 14 . 3 1 1 A 10 10 GLU N N 10 120.846 123.729 -2.883 1
1 15 . 3 1 1 A 10 10 GLU H H 10 8.353 8.857 -0.504 1
1 16 . 3 1 1 A 10 10 GLU CA C 10 56.524 56.085 0.439 1
1 17 . 3 1 1 A 10 10 GLU HA H 10 4.225 4.639 -0.414 1
1 18 . 3 1 1 A 10 10 GLU CB C 10 30.384 29.623 0.761 1
1 22 . 3 1 1 A 10 10 GLU C C 10 176.348 175.994 0.354 1
1 25 . 3 1 1 A 11 11 ARG N N 11 121.539 119.794 1.745 1
1 26 . 3 1 1 A 11 11 ARG H H 11 8.281 7.544 0.737 1
1 27 . 3 1 1 A 11 11 ARG CA C 11 56.005 56.220 -0.215 1
1 28 . 3 1 1 A 11 11 ARG HA H 11 4.316 4.367 -0.051 1
1 29 . 3 1 1 A 11 11 ARG CB C 11 31.130 29.445 1.685 1
1 35 . 3 1 1 A 11 11 ARG C C 11 176.001 176.426 -0.425 1
1 39 . 3 1 1 A 12 12 GLY N N 12 107.819 109.424 -1.605 1
1 40 . 3 1 1 A 12 12 GLY H H 12 8.075 7.800 0.275 1
1 41 . 3 1 1 A 12 12 GLY CA C 12 44.814 45.790 -0.976 1
1 42 . 3 1 1 A 12 12 GLY HA3 H 12 4.014 3.999 0.015 1
1 43 . 3 1 1 A 12 12 GLY C C 12 172.193 170.965 1.228 1
1 44 . 3 1 1 A 12 12 GLY HA2 H 12 3.651 3.789 -0.138 1
1 45 . 3 1 1 A 13 13 HIS N N 13 119.279 118.533 0.746 1
1 46 . 3 1 1 A 13 13 HIS H H 13 8.024 8.094 -0.070 1
1 47 . 3 1 1 A 13 13 HIS CA C 13 55.118 54.182 0.936 1
1 48 . 3 1 1 A 13 13 HIS HA H 13 4.235 4.743 -0.508 1
1 49 . 3 1 1 A 13 13 HIS CB C 13 31.866 30.882 0.984 1
1 55 . 3 1 1 A 13 13 HIS C C 13 173.211 173.276 -0.065 1
1 57 . 3 1 1 A 14 14 ARG N N 14 124.116 125.388 -1.272 1
1 58 . 3 1 1 A 14 14 ARG H H 14 8.606 8.776 -0.170 1
1 59 . 3 1 1 A 14 14 ARG CA C 14 54.263 55.262 -0.999 1
1 60 . 3 1 1 A 14 14 ARG HA H 14 4.820 5.172 -0.352 1
1 61 . 3 1 1 A 14 14 ARG CB C 14 32.523 31.779 0.744 1
1 67 . 3 1 1 A 14 14 ARG C C 14 175.690 176.378 -0.688 1
1 71 . 3 1 1 A 15 15 CYS N N 15 128.999 125.198 3.801 1
1 72 . 3 1 1 A 15 15 CYS H H 15 9.354 9.129 0.225 1
1 73 . 3 1 1 A 15 15 CYS CA C 15 59.902 58.927 0.975 1
1 74 . 3 1 1 A 15 15 CYS HA H 15 4.843 5.076 -0.233 1
1 75 . 3 1 1 A 15 15 CYS CB C 15 30.080 29.650 0.430 1
1 77 . 3 1 1 A 15 15 CYS C C 15 177.294 176.168 1.126 1
1 79 . 3 1 1 A 16 16 SER CA C 16 61.138 59.369 1.769 1
1 80 . 3 1 1 A 16 16 SER HA H 16 4.245 4.442 -0.197 1
1 81 . 3 1 1 A 16 16 SER CB C 16 63.060 64.217 -1.157 1
1 83 . 3 1 1 A 16 16 SER C C 16 174.763 176.204 -1.441 1
1 85 . 3 1 1 A 17 17 ASP N N 17 121.918 121.954 -0.036 1
1 86 . 3 1 1 A 17 17 ASP H H 17 8.415 7.756 0.659 1
1 87 . 3 1 1 A 17 17 ASP CA C 17 57.173 57.109 0.064 1
1 88 . 3 1 1 A 17 17 ASP HA H 17 4.602 4.216 0.386 1
1 89 . 3 1 1 A 17 17 ASP CB C 17 41.250 39.663 1.587 1
1 91 . 3 1 1 A 17 17 ASP C C 17 176.420 177.674 -1.254 1
1 93 . 3 1 1 A 18 18 CYS N N 18 114.553 114.254 0.299 1
1 94 . 3 1 1 A 18 18 CYS H H 18 7.796 7.417 0.379 1
1 95 . 3 1 1 A 18 18 CYS CA C 18 58.608 59.524 -0.916 1
1 96 . 3 1 1 A 18 18 CYS HA H 18 5.206 4.626 0.580 1
1 97 . 3 1 1 A 18 18 CYS CB C 18 32.187 30.040 2.147 1
1 99 . 3 1 1 A 18 18 CYS C C 18 176.107 175.474 0.633 1
1 101 . 3 1 1 A 19 19 GLY N N 19 113.601 110.440 3.161 1
1 102 . 3 1 1 A 19 19 GLY H H 19 8.268 8.300 -0.032 1
1 103 . 3 1 1 A 19 19 GLY CA C 19 46.294 45.508 0.786 1
1 104 . 3 1 1 A 19 19 GLY HA3 H 19 4.251 4.153 0.098 1
1 105 . 3 1 1 A 19 19 GLY C C 19 173.687 174.390 -0.703 1
1 106 . 3 1 1 A 19 19 GLY HA2 H 19 3.794 4.119 -0.325 1
1 107 . 3 1 1 A 20 20 LYS N N 20 121.922 119.174 2.748 1
1 108 . 3 1 1 A 20 20 LYS H H 20 7.833 8.028 -0.195 1
1 109 . 3 1 1 A 20 20 LYS CA C 20 58.157 55.764 2.393 1
1 110 . 3 1 1 A 20 20 LYS HA H 20 4.133 4.726 -0.593 1
1 111 . 3 1 1 A 20 20 LYS CB C 20 34.348 34.486 -0.138 1
1 119 . 3 1 1 A 20 20 LYS C C 20 174.006 175.293 -1.287 1
1 124 . 3 1 1 A 21 21 PHE N N 21 121.592 123.011 -1.419 1
1 125 . 3 1 1 A 21 21 PHE H H 21 8.197 8.719 -0.522 1
1 126 . 3 1 1 A 21 21 PHE CA C 21 57.064 56.739 0.325 1
1 127 . 3 1 1 A 21 21 PHE HA H 21 5.118 5.622 -0.504 1
1 128 . 3 1 1 A 21 21 PHE CB C 21 42.295 43.205 -0.910 1
1 140 . 3 1 1 A 21 21 PHE C C 21 174.756 173.300 1.456 1
1 142 . 3 1 1 A 22 22 PHE N N 22 122.744 122.741 0.003 1
1 143 . 3 1 1 A 22 22 PHE H H 22 8.535 7.989 0.546 1
1 144 . 3 1 1 A 22 22 PHE CA C 22 56.937 56.266 0.671 1
1 145 . 3 1 1 A 22 22 PHE HA H 22 4.467 4.941 -0.474 1
1 146 . 3 1 1 A 22 22 PHE CB C 22 42.745 44.188 -1.443 1
1 158 . 3 1 1 A 22 22 PHE C C 22 174.570 174.916 -0.346 1
1 160 . 3 1 1 A 23 23 LEU N N 23 124.547 121.054 3.493 1
1 161 . 3 1 1 A 23 23 LEU H H 23 8.632 8.459 0.173 1
1 162 . 3 1 1 A 23 23 LEU CA C 23 57.016 55.588 1.428 1
1 163 . 3 1 1 A 23 23 LEU HA H 23 4.190 4.442 -0.252 1
1 164 . 3 1 1 A 23 23 LEU CB C 23 43.006 43.677 -0.671 1
1 176 . 3 1 1 A 23 23 LEU C C 23 177.399 176.222 1.177 1
1 178 . 3 1 1 A 24 24 GLN N N 24 115.779 118.304 -2.525 1
1 179 . 3 1 1 A 24 24 GLN H H 24 8.246 7.614 0.632 1
1 180 . 3 1 1 A 24 24 GLN CA C 24 54.687 54.812 -0.125 1
1 181 . 3 1 1 A 24 24 GLN HA H 24 4.787 4.659 0.128 1
1 182 . 3 1 1 A 24 24 GLN CB C 24 29.974 29.029 0.945 1
1 189 . 3 1 1 A 24 24 GLN C C 24 176.712 176.098 0.614 1
1 192 . 3 1 1 A 25 25 ALA CA C 25 55.575 55.608 -0.033 1
1 193 . 3 1 1 A 25 25 ALA HA H 25 3.542 3.620 -0.078 1
1 194 . 3 1 1 A 25 25 ALA CB C 25 18.019 18.241 -0.222 1
1 198 . 3 1 1 A 25 25 ALA C C 25 179.282 179.515 -0.233 1
1 199 . 3 1 1 A 26 26 SER N N 26 111.647 112.900 -1.253 1
1 200 . 3 1 1 A 26 26 SER H H 26 8.886 8.342 0.544 1
1 201 . 3 1 1 A 26 26 SER CA C 26 61.362 61.472 -0.110 1
1 202 . 3 1 1 A 26 26 SER HA H 26 4.039 4.177 -0.138 1
1 203 . 3 1 1 A 26 26 SER CB C 26 61.561 62.602 -1.041 1
1 205 . 3 1 1 A 26 26 SER C C 26 177.406 177.330 0.076 1
1 207 . 3 1 1 A 27 27 ASN N N 27 119.503 118.959 0.544 1
1 208 . 3 1 1 A 27 27 ASN H H 27 7.021 8.113 -1.092 1
1 209 . 3 1 1 A 27 27 ASN CA C 27 55.428 56.400 -0.972 1
1 210 . 3 1 1 A 27 27 ASN HA H 27 4.575 4.433 0.142 1
1 211 . 3 1 1 A 27 27 ASN CB C 27 38.410 38.027 0.383 1
1 216 . 3 1 1 A 27 27 ASN C C 27 177.285 178.024 -0.739 1
1 218 . 3 1 1 A 28 28 PHE N N 28 123.068 121.837 1.231 1
1 219 . 3 1 1 A 28 28 PHE H H 28 7.786 8.318 -0.532 1
1 220 . 3 1 1 A 28 28 PHE CA C 28 60.488 60.146 0.342 1
1 221 . 3 1 1 A 28 28 PHE HA H 28 3.240 3.096 0.144 1
1 222 . 3 1 1 A 28 28 PHE CB C 28 38.809 39.093 -0.284 1
1 234 . 3 1 1 A 28 28 PHE C C 28 175.850 176.850 -1.000 1
1 236 . 3 1 1 A 29 29 ILE N N 29 119.421 119.520 -0.099 1
1 237 . 3 1 1 A 29 29 ILE H H 29 8.501 8.068 0.433 1
1 238 . 3 1 1 A 29 29 ILE CA C 29 64.558 64.343 0.215 1
1 239 . 3 1 1 A 29 29 ILE HA H 29 3.221 3.437 -0.216 1
1 240 . 3 1 1 A 29 29 ILE CB C 29 37.818 37.406 0.412 1
1 252 . 3 1 1 A 29 29 ILE C C 29 178.885 178.764 0.121 1
1 254 . 3 1 1 A 30 30 GLN N N 30 117.482 117.611 -0.129 1
1 255 . 3 1 1 A 30 30 GLN H H 30 7.343 7.947 -0.604 1
1 256 . 3 1 1 A 30 30 GLN CA C 30 58.656 57.714 0.942 1
1 257 . 3 1 1 A 30 30 GLN HA H 30 3.885 4.082 -0.197 1
1 258 . 3 1 1 A 30 30 GLN CB C 30 28.460 28.405 0.055 1
1 265 . 3 1 1 A 30 30 GLN C C 30 178.347 177.387 0.960 1
1 268 . 3 1 1 A 31 31 HIS N N 31 119.125 120.570 -1.445 1
1 269 . 3 1 1 A 31 31 HIS H H 31 7.738 7.768 -0.030 1
1 270 . 3 1 1 A 31 31 HIS CA C 31 59.348 58.652 0.696 1
1 271 . 3 1 1 A 31 31 HIS HA H 31 4.052 4.216 -0.164 1
1 272 . 3 1 1 A 31 31 HIS CB C 31 28.129 29.886 -1.757 1
1 278 . 3 1 1 A 31 31 HIS C C 31 176.394 177.025 -0.631 1
1 280 . 3 1 1 A 32 32 ARG N N 32 115.404 118.196 -2.792 1
1 281 . 3 1 1 A 32 32 ARG H H 32 7.920 7.579 0.341 1
1 282 . 3 1 1 A 32 32 ARG CA C 32 58.191 58.227 -0.036 1
1 283 . 3 1 1 A 32 32 ARG HA H 32 3.510 3.996 -0.486 1
1 284 . 3 1 1 A 32 32 ARG CB C 32 28.088 29.851 -1.763 1
1 290 . 3 1 1 A 32 32 ARG C C 32 177.828 178.368 -0.540 1
1 294 . 3 1 1 A 33 33 ARG N N 33 116.284 118.139 -1.855 1
1 295 . 3 1 1 A 33 33 ARG H H 33 7.025 7.722 -0.697 1
1 296 . 3 1 1 A 33 33 ARG CA C 33 58.538 59.210 -0.672 1
1 297 . 3 1 1 A 33 33 ARG HA H 33 4.094 3.981 0.113 1
1 298 . 3 1 1 A 33 33 ARG CB C 33 29.994 30.187 -0.193 1
1 304 . 3 1 1 A 33 33 ARG C C 33 178.632 178.845 -0.213 1
1 308 . 3 1 1 A 34 34 ILE N N 34 116.774 116.978 -0.204 1
1 309 . 3 1 1 A 34 34 ILE H H 34 7.715 7.579 0.136 1
1 310 . 3 1 1 A 34 34 ILE CA C 34 63.294 64.068 -0.774 1
1 311 . 3 1 1 A 34 34 ILE HA H 34 3.886 3.739 0.147 1
1 312 . 3 1 1 A 34 34 ILE CB C 34 37.481 37.252 0.229 1
1 324 . 3 1 1 A 34 34 ILE C C 34 177.422 177.386 0.036 1
1 326 . 3 1 1 A 35 35 HIS N N 35 117.061 120.896 -3.835 1
1 327 . 3 1 1 A 35 35 HIS H H 35 7.143 7.421 -0.278 1
1 328 . 3 1 1 A 35 35 HIS CA C 35 55.554 60.070 -4.516 1
1 329 . 3 1 1 A 35 35 HIS HA H 35 4.798 4.198 0.600 1
1 330 . 3 1 1 A 35 35 HIS CB C 35 28.994 30.472 -1.478 1
1 336 . 3 1 1 A 35 35 HIS C C 35 176.009 178.396 -2.387 1
1 338 . 3 1 1 A 36 36 THR N N 36 110.946 111.521 -0.575 1
1 339 . 3 1 1 A 36 36 THR H H 36 7.834 8.172 -0.338 1
1 340 . 3 1 1 A 36 36 THR CA C 36 62.550 63.250 -0.700 1
1 341 . 3 1 1 A 36 36 THR HA H 36 4.312 4.167 0.145 1
1 342 . 3 1 1 A 36 36 THR CB C 36 69.804 70.093 -0.289 1
1 348 . 3 1 1 A 36 36 THR C C 36 175.635 175.171 0.464 1
1 349 . 3 1 1 A 37 37 GLY N N 37 110.649 110.233 0.416 1
1 350 . 3 1 1 A 37 37 GLY H H 37 8.196 7.458 0.738 1
1 351 . 3 1 1 A 37 37 GLY CA C 37 45.414 45.334 0.080 1
1 352 . 3 1 1 A 37 37 GLY HA3 H 37 3.920 4.016 -0.096 1
1 353 . 3 1 1 A 37 37 GLY C C 37 174.050 174.962 -0.912 1
1 354 . 3 1 1 A 37 37 GLY HA2 H 37 4.016 4.015 0.001 1
1 355 . 3 1 1 A 38 38 GLU N N 38 120.504 120.448 0.056 1
1 356 . 3 1 1 A 38 38 GLU H H 38 8.039 7.440 0.599 1
1 357 . 3 1 1 A 38 38 GLU CA C 38 56.537 55.894 0.643 1
1 358 . 3 1 1 A 38 38 GLU HA H 38 4.215 4.380 -0.165 1
1 359 . 3 1 1 A 38 38 GLU CB C 38 30.588 27.957 2.631 1
1 363 . 3 1 1 A 38 38 GLU C C 38 176.107 175.068 1.039 1
1 366 . 3 1 1 A 39 39 LYS N N 39 123.777 121.745 2.032 1
1 367 . 3 1 1 A 39 39 LYS H H 39 8.401 7.867 0.534 1
1 368 . 3 1 1 A 39 39 LYS CA C 39 54.099 53.504 0.595 1
1 369 . 3 1 1 A 39 39 LYS HA H 39 4.599 4.716 -0.117 1
1 370 . 3 1 1 A 39 39 LYS CB C 39 32.530 35.961 -3.431 1
1 378 . 3 1 1 A 39 39 LYS C C 39 174.452 173.821 0.631 1
1 383 . 3 1 1 A 40 40 PRO CA C 40 63.195 62.215 0.980 1
1 384 . 3 1 1 A 40 40 PRO HA H 40 4.445 4.544 -0.099 1
1 385 . 3 1 1 A 40 40 PRO CB C 40 32.187 32.800 -0.613 1
1 391 . 3 1 1 A 40 40 PRO C C 40 176.911 177.535 -0.624 1
1 395 . 3 1 1 A 41 41 SER N N 41 116.485 116.433 0.052 1
1 396 . 3 1 1 A 41 41 SER H H 41 8.449 8.791 -0.342 1
1 397 . 3 1 1 A 41 41 SER CA C 41 58.467 61.613 -3.146 1
1 398 . 3 1 1 A 41 41 SER HA H 41 4.468 4.164 0.304 1
1 399 . 3 1 1 A 41 41 SER CB C 41 63.909 63.274 0.635 1
1 401 . 3 1 1 A 41 41 SER C C 41 174.617 175.708 -1.091 1
1 403 . 3 1 1 A 42 42 GLY N N 42 110.609 104.504 6.105 1
1 404 . 3 1 1 A 42 42 GLY H H 42 8.216 7.303 0.913 1
1 405 . 3 1 1 A 42 42 GLY CA C 42 44.673 45.772 -1.099 1
1 406 . 3 1 1 A 42 42 GLY HA3 H 42 4.114 4.262 -0.148 1
1 407 . 3 1 1 A 42 42 GLY C C 42 171.713 173.382 -1.669 1
1 408 . 3 1 1 A 42 42 GLY HA2 H 42 4.158 4.261 -0.103 1
1 409 . 3 1 1 A 43 43 PRO CA C 43 63.260 64.101 -0.841 1
1 410 . 3 1 1 A 43 43 PRO HA H 43 4.484 4.549 -0.065 1
1 411 . 3 1 1 A 43 43 PRO CB C 43 32.216 31.804 0.412 1
1 417 . 3 1 1 A 43 43 PRO C C 43 177.352 177.363 -0.011 1
1 421 . 3 1 1 A 44 44 SER N N 44 116.409 113.316 3.093 1
1 422 . 3 1 1 A 44 44 SER H H 44 8.511 8.344 0.167 1
1 423 . 3 1 1 A 44 44 SER CA C 44 58.392 57.730 0.662 1
1 424 . 3 1 1 A 44 44 SER HA H 44 4.466 4.612 -0.146 1
1 425 . 3 1 1 A 44 44 SER CB C 44 63.748 63.047 0.701 1
1 427 . 3 1 1 A 44 44 SER C C 44 174.615 174.967 -0.352 1
1 429 . 3 1 1 A 45 45 SER N N 45 117.817 117.968 -0.151 1
1 430 . 3 1 1 A 45 45 SER H H 45 8.303 7.839 0.464 1
1 431 . 3 1 1 A 45 45 SER CA C 45 58.381 59.919 -1.538 1
1 432 . 3 1 1 A 45 45 SER HA H 45 4.452 4.370 0.082 1
1 433 . 3 1 1 A 45 45 SER CB C 45 64.070 63.511 0.559 1
1 435 . 3 1 1 A 45 45 SER C C 45 173.885 175.447 -1.562 1
1 1 . 4 1 1 A 8 8 HIS CA C 8 56.329 56.714 -0.385 1
1 2 . 4 1 1 A 8 8 HIS HA H 8 4.628 4.264 0.364 1
1 3 . 4 1 1 A 8 8 HIS CB C 8 30.709 28.028 2.681 1
1 10 . 4 1 1 A 9 9 GLY CA C 9 45.330 45.931 -0.601 1
1 11 . 4 1 1 A 9 9 GLY HA3 H 9 3.909 3.745 0.164 1
1 12 . 4 1 1 A 9 9 GLY C C 9 174.145 174.364 -0.219 1
1 13 . 4 1 1 A 9 9 GLY HA2 H 9 3.909 3.703 0.206 1
1 14 . 4 1 1 A 10 10 GLU N N 10 120.846 116.898 3.948 1
1 15 . 4 1 1 A 10 10 GLU H H 10 8.353 7.887 0.466 1
1 16 . 4 1 1 A 10 10 GLU CA C 10 56.524 57.425 -0.901 1
1 17 . 4 1 1 A 10 10 GLU HA H 10 4.225 3.849 0.376 1
1 18 . 4 1 1 A 10 10 GLU CB C 10 30.384 28.360 2.024 1
1 22 . 4 1 1 A 10 10 GLU C C 10 176.348 175.322 1.026 1
1 25 . 4 1 1 A 11 11 ARG N N 11 121.539 119.495 2.044 1
1 26 . 4 1 1 A 11 11 ARG H H 11 8.281 8.321 -0.040 1
1 27 . 4 1 1 A 11 11 ARG CA C 11 56.005 55.901 0.104 1
1 28 . 4 1 1 A 11 11 ARG HA H 11 4.316 4.315 0.001 1
1 29 . 4 1 1 A 11 11 ARG CB C 11 31.130 29.435 1.695 1
1 35 . 4 1 1 A 11 11 ARG C C 11 176.001 176.243 -0.242 1
1 39 . 4 1 1 A 12 12 GLY N N 12 107.819 110.116 -2.297 1
1 40 . 4 1 1 A 12 12 GLY H H 12 8.075 7.778 0.297 1
1 41 . 4 1 1 A 12 12 GLY CA C 12 44.814 46.056 -1.242 1
1 42 . 4 1 1 A 12 12 GLY HA3 H 12 4.014 4.170 -0.156 1
1 43 . 4 1 1 A 12 12 GLY C C 12 172.193 170.955 1.238 1
1 44 . 4 1 1 A 12 12 GLY HA2 H 12 3.651 3.938 -0.287 1
1 45 . 4 1 1 A 13 13 HIS N N 13 119.279 118.226 1.053 1
1 46 . 4 1 1 A 13 13 HIS H H 13 8.024 7.731 0.293 1
1 47 . 4 1 1 A 13 13 HIS CA C 13 55.118 54.099 1.019 1
1 48 . 4 1 1 A 13 13 HIS HA H 13 4.235 4.765 -0.530 1
1 49 . 4 1 1 A 13 13 HIS CB C 13 31.866 31.343 0.523 1
1 55 . 4 1 1 A 13 13 HIS C C 13 173.211 173.079 0.132 1
1 57 . 4 1 1 A 14 14 ARG N N 14 124.116 125.143 -1.027 1
1 58 . 4 1 1 A 14 14 ARG H H 14 8.606 8.796 -0.190 1
1 59 . 4 1 1 A 14 14 ARG CA C 14 54.263 55.288 -1.025 1
1 60 . 4 1 1 A 14 14 ARG HA H 14 4.820 5.266 -0.446 1
1 61 . 4 1 1 A 14 14 ARG CB C 14 32.523 31.866 0.657 1
1 67 . 4 1 1 A 14 14 ARG C C 14 175.690 176.665 -0.975 1
1 71 . 4 1 1 A 15 15 CYS N N 15 128.999 125.401 3.598 1
1 72 . 4 1 1 A 15 15 CYS H H 15 9.354 9.366 -0.012 1
1 73 . 4 1 1 A 15 15 CYS CA C 15 59.902 59.504 0.398 1
1 74 . 4 1 1 A 15 15 CYS HA H 15 4.843 4.932 -0.089 1
1 75 . 4 1 1 A 15 15 CYS CB C 15 30.080 29.210 0.870 1
1 77 . 4 1 1 A 15 15 CYS C C 15 177.294 174.980 2.314 1
1 79 . 4 1 1 A 16 16 SER CA C 16 61.138 60.260 0.878 1
1 80 . 4 1 1 A 16 16 SER HA H 16 4.245 4.595 -0.350 1
1 81 . 4 1 1 A 16 16 SER CB C 16 63.060 64.045 -0.985 1
1 83 . 4 1 1 A 16 16 SER C C 16 174.763 175.338 -0.575 1
1 85 . 4 1 1 A 17 17 ASP N N 17 121.918 122.204 -0.286 1
1 86 . 4 1 1 A 17 17 ASP H H 17 8.415 7.733 0.682 1
1 87 . 4 1 1 A 17 17 ASP CA C 17 57.173 57.105 0.068 1
1 88 . 4 1 1 A 17 17 ASP HA H 17 4.602 4.192 0.410 1
1 89 . 4 1 1 A 17 17 ASP CB C 17 41.250 39.497 1.753 1
1 91 . 4 1 1 A 17 17 ASP C C 17 176.420 177.606 -1.186 1
1 93 . 4 1 1 A 18 18 CYS N N 18 114.553 114.262 0.291 1
1 94 . 4 1 1 A 18 18 CYS H H 18 7.796 7.454 0.342 1
1 95 . 4 1 1 A 18 18 CYS CA C 18 58.608 59.534 -0.926 1
1 96 . 4 1 1 A 18 18 CYS HA H 18 5.206 4.632 0.574 1
1 97 . 4 1 1 A 18 18 CYS CB C 18 32.187 29.966 2.221 1
1 99 . 4 1 1 A 18 18 CYS C C 18 176.107 175.491 0.616 1
1 101 . 4 1 1 A 19 19 GLY N N 19 113.601 110.567 3.034 1
1 102 . 4 1 1 A 19 19 GLY H H 19 8.268 8.307 -0.039 1
1 103 . 4 1 1 A 19 19 GLY CA C 19 46.294 45.439 0.855 1
1 104 . 4 1 1 A 19 19 GLY HA3 H 19 4.251 4.133 0.118 1
1 105 . 4 1 1 A 19 19 GLY C C 19 173.687 174.591 -0.904 1
1 106 . 4 1 1 A 19 19 GLY HA2 H 19 3.794 4.101 -0.307 1
1 107 . 4 1 1 A 20 20 LYS N N 20 121.922 119.324 2.598 1
1 108 . 4 1 1 A 20 20 LYS H H 20 7.833 8.018 -0.185 1
1 109 . 4 1 1 A 20 20 LYS CA C 20 58.157 55.771 2.386 1
1 110 . 4 1 1 A 20 20 LYS HA H 20 4.133 4.732 -0.599 1
1 111 . 4 1 1 A 20 20 LYS CB C 20 34.348 34.441 -0.093 1
1 119 . 4 1 1 A 20 20 LYS C C 20 174.006 175.428 -1.422 1
1 124 . 4 1 1 A 21 21 PHE N N 21 121.592 122.748 -1.156 1
1 125 . 4 1 1 A 21 21 PHE H H 21 8.197 8.760 -0.563 1
1 126 . 4 1 1 A 21 21 PHE CA C 21 57.064 56.766 0.298 1
1 127 . 4 1 1 A 21 21 PHE HA H 21 5.118 5.591 -0.473 1
1 128 . 4 1 1 A 21 21 PHE CB C 21 42.295 43.237 -0.942 1
1 140 . 4 1 1 A 21 21 PHE C C 21 174.756 173.290 1.466 1
1 142 . 4 1 1 A 22 22 PHE N N 22 122.744 122.691 0.053 1
1 143 . 4 1 1 A 22 22 PHE H H 22 8.535 7.975 0.560 1
1 144 . 4 1 1 A 22 22 PHE CA C 22 56.937 56.126 0.811 1
1 145 . 4 1 1 A 22 22 PHE HA H 22 4.467 4.931 -0.464 1
1 146 . 4 1 1 A 22 22 PHE CB C 22 42.745 44.319 -1.574 1
1 158 . 4 1 1 A 22 22 PHE C C 22 174.570 174.903 -0.333 1
1 160 . 4 1 1 A 23 23 LEU N N 23 124.547 120.266 4.281 1
1 161 . 4 1 1 A 23 23 LEU H H 23 8.632 8.485 0.147 1
1 162 . 4 1 1 A 23 23 LEU CA C 23 57.016 55.347 1.669 1
1 163 . 4 1 1 A 23 23 LEU HA H 23 4.190 4.502 -0.312 1
1 164 . 4 1 1 A 23 23 LEU CB C 23 43.006 44.286 -1.280 1
1 176 . 4 1 1 A 23 23 LEU C C 23 177.399 176.245 1.154 1
1 178 . 4 1 1 A 24 24 GLN N N 24 115.779 118.322 -2.543 1
1 179 . 4 1 1 A 24 24 GLN H H 24 8.246 7.610 0.636 1
1 180 . 4 1 1 A 24 24 GLN CA C 24 54.687 54.819 -0.132 1
1 181 . 4 1 1 A 24 24 GLN HA H 24 4.787 4.653 0.134 1
1 182 . 4 1 1 A 24 24 GLN CB C 24 29.974 29.021 0.953 1
1 189 . 4 1 1 A 24 24 GLN C C 24 176.712 176.150 0.562 1
1 192 . 4 1 1 A 25 25 ALA CA C 25 55.575 55.733 -0.158 1
1 193 . 4 1 1 A 25 25 ALA HA H 25 3.542 3.702 -0.160 1
1 194 . 4 1 1 A 25 25 ALA CB C 25 18.019 18.384 -0.365 1
1 198 . 4 1 1 A 25 25 ALA C C 25 179.282 179.519 -0.237 1
1 199 . 4 1 1 A 26 26 SER N N 26 111.647 112.656 -1.009 1
1 200 . 4 1 1 A 26 26 SER H H 26 8.886 8.417 0.469 1
1 201 . 4 1 1 A 26 26 SER CA C 26 61.362 61.424 -0.062 1
1 202 . 4 1 1 A 26 26 SER HA H 26 4.039 4.187 -0.148 1
1 203 . 4 1 1 A 26 26 SER CB C 26 61.561 62.713 -1.152 1
1 205 . 4 1 1 A 26 26 SER C C 26 177.406 177.241 0.165 1
1 207 . 4 1 1 A 27 27 ASN N N 27 119.503 118.990 0.513 1
1 208 . 4 1 1 A 27 27 ASN H H 27 7.021 8.440 -1.419 1
1 209 . 4 1 1 A 27 27 ASN CA C 27 55.428 56.420 -0.992 1
1 210 . 4 1 1 A 27 27 ASN HA H 27 4.575 4.427 0.148 1
1 211 . 4 1 1 A 27 27 ASN CB C 27 38.410 38.077 0.333 1
1 216 . 4 1 1 A 27 27 ASN C C 27 177.285 178.210 -0.925 1
1 218 . 4 1 1 A 28 28 PHE N N 28 123.068 122.008 1.060 1
1 219 . 4 1 1 A 28 28 PHE H H 28 7.786 8.330 -0.544 1
1 220 . 4 1 1 A 28 28 PHE CA C 28 60.488 60.130 0.358 1
1 221 . 4 1 1 A 28 28 PHE HA H 28 3.240 3.098 0.142 1
1 222 . 4 1 1 A 28 28 PHE CB C 28 38.809 39.160 -0.351 1
1 234 . 4 1 1 A 28 28 PHE C C 28 175.850 176.899 -1.049 1
1 236 . 4 1 1 A 29 29 ILE N N 29 119.421 119.027 0.394 1
1 237 . 4 1 1 A 29 29 ILE H H 29 8.501 8.036 0.465 1
1 238 . 4 1 1 A 29 29 ILE CA C 29 64.558 64.302 0.256 1
1 239 . 4 1 1 A 29 29 ILE HA H 29 3.221 3.439 -0.218 1
1 240 . 4 1 1 A 29 29 ILE CB C 29 37.818 37.428 0.390 1
1 252 . 4 1 1 A 29 29 ILE C C 29 178.885 178.763 0.122 1
1 254 . 4 1 1 A 30 30 GLN N N 30 117.482 117.642 -0.160 1
1 255 . 4 1 1 A 30 30 GLN H H 30 7.343 8.068 -0.725 1
1 256 . 4 1 1 A 30 30 GLN CA C 30 58.656 57.708 0.948 1
1 257 . 4 1 1 A 30 30 GLN HA H 30 3.885 4.085 -0.200 1
1 258 . 4 1 1 A 30 30 GLN CB C 30 28.460 28.400 0.060 1
1 265 . 4 1 1 A 30 30 GLN C C 30 178.347 177.385 0.962 1
1 268 . 4 1 1 A 31 31 HIS N N 31 119.125 120.630 -1.505 1
1 269 . 4 1 1 A 31 31 HIS H H 31 7.738 7.879 -0.141 1
1 270 . 4 1 1 A 31 31 HIS CA C 31 59.348 58.657 0.691 1
1 271 . 4 1 1 A 31 31 HIS HA H 31 4.052 4.243 -0.191 1
1 272 . 4 1 1 A 31 31 HIS CB C 31 28.129 29.908 -1.779 1
1 278 . 4 1 1 A 31 31 HIS C C 31 176.394 177.038 -0.644 1
1 280 . 4 1 1 A 32 32 ARG N N 32 115.404 118.173 -2.769 1
1 281 . 4 1 1 A 32 32 ARG H H 32 7.920 7.638 0.282 1
1 282 . 4 1 1 A 32 32 ARG CA C 32 58.191 58.110 0.081 1
1 283 . 4 1 1 A 32 32 ARG HA H 32 3.510 4.055 -0.545 1
1 284 . 4 1 1 A 32 32 ARG CB C 32 28.088 29.696 -1.608 1
1 290 . 4 1 1 A 32 32 ARG C C 32 177.828 177.706 0.122 1
1 294 . 4 1 1 A 33 33 ARG N N 33 116.284 117.960 -1.676 1
1 295 . 4 1 1 A 33 33 ARG H H 33 7.025 7.786 -0.761 1
1 296 . 4 1 1 A 33 33 ARG CA C 33 58.538 58.933 -0.395 1
1 297 . 4 1 1 A 33 33 ARG HA H 33 4.094 3.999 0.095 1
1 298 . 4 1 1 A 33 33 ARG CB C 33 29.994 30.285 -0.291 1
1 304 . 4 1 1 A 33 33 ARG C C 33 178.632 178.818 -0.186 1
1 308 . 4 1 1 A 34 34 ILE N N 34 116.774 116.914 -0.140 1
1 309 . 4 1 1 A 34 34 ILE H H 34 7.715 7.596 0.119 1
1 310 . 4 1 1 A 34 34 ILE CA C 34 63.294 64.105 -0.811 1
1 311 . 4 1 1 A 34 34 ILE HA H 34 3.886 3.733 0.153 1
1 312 . 4 1 1 A 34 34 ILE CB C 34 37.481 37.239 0.242 1
1 324 . 4 1 1 A 34 34 ILE C C 34 177.422 177.659 -0.237 1
1 326 . 4 1 1 A 35 35 HIS N N 35 117.061 119.839 -2.778 1
1 327 . 4 1 1 A 35 35 HIS H H 35 7.143 7.401 -0.258 1
1 328 . 4 1 1 A 35 35 HIS CA C 35 55.554 59.436 -3.882 1
1 329 . 4 1 1 A 35 35 HIS HA H 35 4.798 4.289 0.509 1
1 330 . 4 1 1 A 35 35 HIS CB C 35 28.994 30.645 -1.651 1
1 336 . 4 1 1 A 35 35 HIS C C 35 176.009 175.437 0.572 1
1 338 . 4 1 1 A 36 36 THR N N 36 110.946 111.052 -0.106 1
1 339 . 4 1 1 A 36 36 THR H H 36 7.834 8.052 -0.218 1
1 340 . 4 1 1 A 36 36 THR CA C 36 62.550 62.495 0.055 1
1 341 . 4 1 1 A 36 36 THR HA H 36 4.312 4.241 0.071 1
1 342 . 4 1 1 A 36 36 THR CB C 36 69.804 68.906 0.898 1
1 348 . 4 1 1 A 36 36 THR C C 36 175.635 174.282 1.353 1
1 349 . 4 1 1 A 37 37 GLY N N 37 110.649 109.874 0.775 1
1 350 . 4 1 1 A 37 37 GLY H H 37 8.196 8.329 -0.133 1
1 351 . 4 1 1 A 37 37 GLY CA C 37 45.414 46.111 -0.697 1
1 352 . 4 1 1 A 37 37 GLY HA3 H 37 3.920 4.241 -0.321 1
1 353 . 4 1 1 A 37 37 GLY C C 37 174.050 171.545 2.505 1
1 354 . 4 1 1 A 37 37 GLY HA2 H 37 4.016 4.240 -0.224 1
1 355 . 4 1 1 A 38 38 GLU N N 38 120.504 120.054 0.450 1
1 356 . 4 1 1 A 38 38 GLU H H 38 8.039 8.321 -0.282 1
1 357 . 4 1 1 A 38 38 GLU CA C 38 56.537 55.760 0.777 1
1 358 . 4 1 1 A 38 38 GLU HA H 38 4.215 4.844 -0.629 1
1 359 . 4 1 1 A 38 38 GLU CB C 38 30.588 33.926 -3.338 1
1 363 . 4 1 1 A 38 38 GLU C C 38 176.107 174.611 1.496 1
1 366 . 4 1 1 A 39 39 LYS N N 39 123.777 123.445 0.332 1
1 367 . 4 1 1 A 39 39 LYS H H 39 8.401 8.760 -0.359 1
1 368 . 4 1 1 A 39 39 LYS CA C 39 54.099 53.495 0.604 1
1 369 . 4 1 1 A 39 39 LYS HA H 39 4.599 4.996 -0.397 1
1 370 . 4 1 1 A 39 39 LYS CB C 39 32.530 35.364 -2.834 1
1 378 . 4 1 1 A 39 39 LYS C C 39 174.452 173.880 0.572 1
1 383 . 4 1 1 A 40 40 PRO CA C 40 63.195 62.854 0.341 1
1 384 . 4 1 1 A 40 40 PRO HA H 40 4.445 4.561 -0.116 1
1 385 . 4 1 1 A 40 40 PRO CB C 40 32.187 31.875 0.312 1
1 391 . 4 1 1 A 40 40 PRO C C 40 176.911 177.035 -0.124 1
1 395 . 4 1 1 A 41 41 SER N N 41 116.485 118.628 -2.143 1
1 396 . 4 1 1 A 41 41 SER H H 41 8.449 8.415 0.034 1
1 397 . 4 1 1 A 41 41 SER CA C 41 58.467 60.408 -1.941 1
1 398 . 4 1 1 A 41 41 SER HA H 41 4.468 4.101 0.367 1
1 399 . 4 1 1 A 41 41 SER CB C 41 63.909 62.417 1.492 1
1 401 . 4 1 1 A 41 41 SER C C 41 174.617 175.340 -0.723 1
1 403 . 4 1 1 A 42 42 GLY N N 42 110.609 113.595 -2.986 1
1 404 . 4 1 1 A 42 42 GLY H H 42 8.216 8.418 -0.202 1
1 405 . 4 1 1 A 42 42 GLY CA C 42 44.673 45.728 -1.055 1
1 406 . 4 1 1 A 42 42 GLY HA3 H 42 4.114 3.994 0.120 1
1 407 . 4 1 1 A 42 42 GLY C C 42 171.713 174.489 -2.776 1
1 408 . 4 1 1 A 42 42 GLY HA2 H 42 4.158 3.993 0.165 1
1 409 . 4 1 1 A 43 43 PRO CA C 43 63.260 64.643 -1.383 1
1 410 . 4 1 1 A 43 43 PRO HA H 43 4.484 4.400 0.084 1
1 411 . 4 1 1 A 43 43 PRO CB C 43 32.216 31.815 0.401 1
1 417 . 4 1 1 A 43 43 PRO C C 43 177.352 176.389 0.963 1
1 421 . 4 1 1 A 44 44 SER N N 44 116.409 114.608 1.801 1
1 422 . 4 1 1 A 44 44 SER H H 44 8.511 7.606 0.905 1
1 423 . 4 1 1 A 44 44 SER CA C 44 58.392 57.991 0.401 1
1 424 . 4 1 1 A 44 44 SER HA H 44 4.466 4.664 -0.198 1
1 425 . 4 1 1 A 44 44 SER CB C 44 63.748 62.639 1.109 1
1 427 . 4 1 1 A 44 44 SER C C 44 174.615 173.454 1.161 1
1 429 . 4 1 1 A 45 45 SER N N 45 117.817 122.010 -4.193 1
1 430 . 4 1 1 A 45 45 SER H H 45 8.303 8.898 -0.595 1
1 431 . 4 1 1 A 45 45 SER CA C 45 58.381 58.737 -0.356 1
1 432 . 4 1 1 A 45 45 SER HA H 45 4.452 4.407 0.045 1
1 433 . 4 1 1 A 45 45 SER CB C 45 64.070 64.011 0.059 1
1 435 . 4 1 1 A 45 45 SER C C 45 173.885 175.102 -1.217 1
1 1 . 5 1 1 A 8 8 HIS CA C 8 56.329 54.486 1.843 1
1 2 . 5 1 1 A 8 8 HIS HA H 8 4.628 5.009 -0.381 1
1 3 . 5 1 1 A 8 8 HIS CB C 8 30.709 33.075 -2.366 1
1 10 . 5 1 1 A 9 9 GLY CA C 9 45.330 46.387 -1.057 1
1 11 . 5 1 1 A 9 9 GLY HA3 H 9 3.909 3.655 0.254 1
1 12 . 5 1 1 A 9 9 GLY C C 9 174.145 174.569 -0.424 1
1 13 . 5 1 1 A 9 9 GLY HA2 H 9 3.909 3.642 0.267 1
1 14 . 5 1 1 A 10 10 GLU N N 10 120.846 119.491 1.355 1
1 15 . 5 1 1 A 10 10 GLU H H 10 8.353 8.066 0.287 1
1 16 . 5 1 1 A 10 10 GLU CA C 10 56.524 55.953 0.571 1
1 17 . 5 1 1 A 10 10 GLU HA H 10 4.225 4.434 -0.209 1
1 18 . 5 1 1 A 10 10 GLU CB C 10 30.384 30.940 -0.556 1
1 22 . 5 1 1 A 10 10 GLU C C 10 176.348 175.585 0.763 1
1 25 . 5 1 1 A 11 11 ARG N N 11 121.539 124.918 -3.379 1
1 26 . 5 1 1 A 11 11 ARG H H 11 8.281 8.830 -0.549 1
1 27 . 5 1 1 A 11 11 ARG CA C 11 56.005 55.599 0.406 1
1 28 . 5 1 1 A 11 11 ARG HA H 11 4.316 4.859 -0.543 1
1 29 . 5 1 1 A 11 11 ARG CB C 11 31.130 33.325 -2.195 1
1 35 . 5 1 1 A 11 11 ARG C C 11 176.001 175.043 0.958 1
1 39 . 5 1 1 A 12 12 GLY N N 12 107.819 112.441 -4.622 1
1 40 . 5 1 1 A 12 12 GLY H H 12 8.075 8.219 -0.144 1
1 41 . 5 1 1 A 12 12 GLY CA C 12 44.814 45.065 -0.251 1
1 42 . 5 1 1 A 12 12 GLY HA3 H 12 4.014 4.052 -0.038 1
1 43 . 5 1 1 A 12 12 GLY C C 12 172.193 171.242 0.951 1
1 44 . 5 1 1 A 12 12 GLY HA2 H 12 3.651 3.864 -0.213 1
1 45 . 5 1 1 A 13 13 HIS N N 13 119.279 118.793 0.486 1
1 46 . 5 1 1 A 13 13 HIS H H 13 8.024 7.683 0.341 1
1 47 . 5 1 1 A 13 13 HIS CA C 13 55.118 53.810 1.308 1
1 48 . 5 1 1 A 13 13 HIS HA H 13 4.235 4.760 -0.525 1
1 49 . 5 1 1 A 13 13 HIS CB C 13 31.866 31.561 0.305 1
1 55 . 5 1 1 A 13 13 HIS C C 13 173.211 173.238 -0.027 1
1 57 . 5 1 1 A 14 14 ARG N N 14 124.116 125.444 -1.328 1
1 58 . 5 1 1 A 14 14 ARG H H 14 8.606 8.827 -0.221 1
1 59 . 5 1 1 A 14 14 ARG CA C 14 54.263 55.048 -0.785 1
1 60 . 5 1 1 A 14 14 ARG HA H 14 4.820 5.215 -0.395 1
1 61 . 5 1 1 A 14 14 ARG CB C 14 32.523 31.897 0.626 1
1 67 . 5 1 1 A 14 14 ARG C C 14 175.690 176.640 -0.950 1
1 71 . 5 1 1 A 15 15 CYS N N 15 128.999 125.348 3.651 1
1 72 . 5 1 1 A 15 15 CYS H H 15 9.354 9.192 0.162 1
1 73 . 5 1 1 A 15 15 CYS CA C 15 59.902 59.525 0.377 1
1 74 . 5 1 1 A 15 15 CYS HA H 15 4.843 4.935 -0.092 1
1 75 . 5 1 1 A 15 15 CYS CB C 15 30.080 29.417 0.663 1
1 77 . 5 1 1 A 15 15 CYS C C 15 177.294 175.063 2.231 1
1 79 . 5 1 1 A 16 16 SER CA C 16 61.138 60.452 0.686 1
1 80 . 5 1 1 A 16 16 SER HA H 16 4.245 4.495 -0.250 1
1 81 . 5 1 1 A 16 16 SER CB C 16 63.060 63.648 -0.588 1
1 83 . 5 1 1 A 16 16 SER C C 16 174.763 176.197 -1.434 1
1 85 . 5 1 1 A 17 17 ASP N N 17 121.918 122.091 -0.173 1
1 86 . 5 1 1 A 17 17 ASP H H 17 8.415 7.705 0.710 1
1 87 . 5 1 1 A 17 17 ASP CA C 17 57.173 57.154 0.019 1
1 88 . 5 1 1 A 17 17 ASP HA H 17 4.602 4.227 0.375 1
1 89 . 5 1 1 A 17 17 ASP CB C 17 41.250 39.763 1.487 1
1 91 . 5 1 1 A 17 17 ASP C C 17 176.420 177.676 -1.256 1
1 93 . 5 1 1 A 18 18 CYS N N 18 114.553 114.303 0.250 1
1 94 . 5 1 1 A 18 18 CYS H H 18 7.796 7.406 0.390 1
1 95 . 5 1 1 A 18 18 CYS CA C 18 58.608 59.639 -1.031 1
1 96 . 5 1 1 A 18 18 CYS HA H 18 5.206 4.631 0.575 1
1 97 . 5 1 1 A 18 18 CYS CB C 18 32.187 29.789 2.398 1
1 99 . 5 1 1 A 18 18 CYS C C 18 176.107 175.482 0.625 1
1 101 . 5 1 1 A 19 19 GLY N N 19 113.601 110.569 3.032 1
1 102 . 5 1 1 A 19 19 GLY H H 19 8.268 8.288 -0.020 1
1 103 . 5 1 1 A 19 19 GLY CA C 19 46.294 45.439 0.855 1
1 104 . 5 1 1 A 19 19 GLY HA3 H 19 4.251 4.154 0.097 1
1 105 . 5 1 1 A 19 19 GLY C C 19 173.687 174.397 -0.710 1
1 106 . 5 1 1 A 19 19 GLY HA2 H 19 3.794 4.122 -0.328 1
1 107 . 5 1 1 A 20 20 LYS N N 20 121.922 119.209 2.713 1
1 108 . 5 1 1 A 20 20 LYS H H 20 7.833 8.025 -0.192 1
1 109 . 5 1 1 A 20 20 LYS CA C 20 58.157 55.826 2.331 1
1 110 . 5 1 1 A 20 20 LYS HA H 20 4.133 4.723 -0.590 1
1 111 . 5 1 1 A 20 20 LYS CB C 20 34.348 34.491 -0.143 1
1 119 . 5 1 1 A 20 20 LYS C C 20 174.006 175.350 -1.344 1
1 124 . 5 1 1 A 21 21 PHE N N 21 121.592 122.622 -1.030 1
1 125 . 5 1 1 A 21 21 PHE H H 21 8.197 8.702 -0.505 1
1 126 . 5 1 1 A 21 21 PHE CA C 21 57.064 56.858 0.206 1
1 127 . 5 1 1 A 21 21 PHE HA H 21 5.118 5.570 -0.452 1
1 128 . 5 1 1 A 21 21 PHE CB C 21 42.295 43.197 -0.902 1
1 140 . 5 1 1 A 21 21 PHE C C 21 174.756 173.300 1.456 1
1 142 . 5 1 1 A 22 22 PHE N N 22 122.744 122.723 0.021 1
1 143 . 5 1 1 A 22 22 PHE H H 22 8.535 7.989 0.546 1
1 144 . 5 1 1 A 22 22 PHE CA C 22 56.937 56.070 0.867 1
1 145 . 5 1 1 A 22 22 PHE HA H 22 4.467 4.980 -0.513 1
1 146 . 5 1 1 A 22 22 PHE CB C 22 42.745 44.435 -1.690 1
1 158 . 5 1 1 A 22 22 PHE C C 22 174.570 174.876 -0.306 1
1 160 . 5 1 1 A 23 23 LEU N N 23 124.547 120.371 4.176 1
1 161 . 5 1 1 A 23 23 LEU H H 23 8.632 8.550 0.082 1
1 162 . 5 1 1 A 23 23 LEU CA C 23 57.016 55.581 1.435 1
1 163 . 5 1 1 A 23 23 LEU HA H 23 4.190 4.455 -0.265 1
1 164 . 5 1 1 A 23 23 LEU CB C 23 43.006 44.060 -1.054 1
1 176 . 5 1 1 A 23 23 LEU C C 23 177.399 176.319 1.080 1
1 178 . 5 1 1 A 24 24 GLN N N 24 115.779 118.205 -2.426 1
1 179 . 5 1 1 A 24 24 GLN H H 24 8.246 7.588 0.658 1
1 180 . 5 1 1 A 24 24 GLN CA C 24 54.687 55.105 -0.418 1
1 181 . 5 1 1 A 24 24 GLN HA H 24 4.787 4.627 0.160 1
1 182 . 5 1 1 A 24 24 GLN CB C 24 29.974 29.351 0.623 1
1 189 . 5 1 1 A 24 24 GLN C C 24 176.712 176.151 0.561 1
1 192 . 5 1 1 A 25 25 ALA CA C 25 55.575 55.599 -0.024 1
1 193 . 5 1 1 A 25 25 ALA HA H 25 3.542 3.630 -0.088 1
1 194 . 5 1 1 A 25 25 ALA CB C 25 18.019 18.282 -0.263 1
1 198 . 5 1 1 A 25 25 ALA C C 25 179.282 179.512 -0.230 1
1 199 . 5 1 1 A 26 26 SER N N 26 111.647 112.915 -1.268 1
1 200 . 5 1 1 A 26 26 SER H H 26 8.886 8.428 0.458 1
1 201 . 5 1 1 A 26 26 SER CA C 26 61.362 61.470 -0.108 1
1 202 . 5 1 1 A 26 26 SER HA H 26 4.039 4.185 -0.146 1
1 203 . 5 1 1 A 26 26 SER CB C 26 61.561 62.525 -0.964 1
1 205 . 5 1 1 A 26 26 SER C C 26 177.406 177.266 0.140 1
1 207 . 5 1 1 A 27 27 ASN N N 27 119.503 119.940 -0.437 1
1 208 . 5 1 1 A 27 27 ASN H H 27 7.021 8.399 -1.378 1
1 209 . 5 1 1 A 27 27 ASN CA C 27 55.428 56.462 -1.034 1
1 210 . 5 1 1 A 27 27 ASN HA H 27 4.575 4.437 0.138 1
1 211 . 5 1 1 A 27 27 ASN CB C 27 38.410 38.169 0.241 1
1 216 . 5 1 1 A 27 27 ASN C C 27 177.285 178.194 -0.909 1
1 218 . 5 1 1 A 28 28 PHE N N 28 123.068 122.045 1.023 1
1 219 . 5 1 1 A 28 28 PHE H H 28 7.786 8.166 -0.380 1
1 220 . 5 1 1 A 28 28 PHE CA C 28 60.488 60.264 0.224 1
1 221 . 5 1 1 A 28 28 PHE HA H 28 3.240 3.168 0.072 1
1 222 . 5 1 1 A 28 28 PHE CB C 28 38.809 39.003 -0.194 1
1 234 . 5 1 1 A 28 28 PHE C C 28 175.850 176.895 -1.045 1
1 236 . 5 1 1 A 29 29 ILE N N 29 119.421 119.706 -0.285 1
1 237 . 5 1 1 A 29 29 ILE H H 29 8.501 7.938 0.563 1
1 238 . 5 1 1 A 29 29 ILE CA C 29 64.558 64.495 0.063 1
1 239 . 5 1 1 A 29 29 ILE HA H 29 3.221 3.419 -0.198 1
1 240 . 5 1 1 A 29 29 ILE CB C 29 37.818 37.521 0.297 1
1 252 . 5 1 1 A 29 29 ILE C C 29 178.885 178.744 0.141 1
1 254 . 5 1 1 A 30 30 GLN N N 30 117.482 117.263 0.219 1
1 255 . 5 1 1 A 30 30 GLN H H 30 7.343 7.971 -0.628 1
1 256 . 5 1 1 A 30 30 GLN CA C 30 58.656 57.682 0.974 1
1 257 . 5 1 1 A 30 30 GLN HA H 30 3.885 4.141 -0.256 1
1 258 . 5 1 1 A 30 30 GLN CB C 30 28.460 28.353 0.107 1
1 265 . 5 1 1 A 30 30 GLN C C 30 178.347 177.246 1.101 1
1 268 . 5 1 1 A 31 31 HIS N N 31 119.125 120.460 -1.335 1
1 269 . 5 1 1 A 31 31 HIS H H 31 7.738 7.877 -0.139 1
1 270 . 5 1 1 A 31 31 HIS CA C 31 59.348 58.559 0.789 1
1 271 . 5 1 1 A 31 31 HIS HA H 31 4.052 4.241 -0.189 1
1 272 . 5 1 1 A 31 31 HIS CB C 31 28.129 30.008 -1.879 1
1 278 . 5 1 1 A 31 31 HIS C C 31 176.394 176.955 -0.561 1
1 280 . 5 1 1 A 32 32 ARG N N 32 115.404 118.177 -2.773 1
1 281 . 5 1 1 A 32 32 ARG H H 32 7.920 7.567 0.353 1
1 282 . 5 1 1 A 32 32 ARG CA C 32 58.191 58.161 0.030 1
1 283 . 5 1 1 A 32 32 ARG HA H 32 3.510 3.995 -0.485 1
1 284 . 5 1 1 A 32 32 ARG CB C 32 28.088 29.709 -1.621 1
1 290 . 5 1 1 A 32 32 ARG C C 32 177.828 178.127 -0.299 1
1 294 . 5 1 1 A 33 33 ARG N N 33 116.284 118.249 -1.965 1
1 295 . 5 1 1 A 33 33 ARG H H 33 7.025 7.774 -0.749 1
1 296 . 5 1 1 A 33 33 ARG CA C 33 58.538 59.176 -0.638 1
1 297 . 5 1 1 A 33 33 ARG HA H 33 4.094 3.985 0.109 1
1 298 . 5 1 1 A 33 33 ARG CB C 33 29.994 30.366 -0.372 1
1 304 . 5 1 1 A 33 33 ARG C C 33 178.632 178.925 -0.293 1
1 308 . 5 1 1 A 34 34 ILE N N 34 116.774 117.027 -0.253 1
1 309 . 5 1 1 A 34 34 ILE H H 34 7.715 7.584 0.131 1
1 310 . 5 1 1 A 34 34 ILE CA C 34 63.294 64.073 -0.779 1
1 311 . 5 1 1 A 34 34 ILE HA H 34 3.886 3.727 0.159 1
1 312 . 5 1 1 A 34 34 ILE CB C 34 37.481 37.263 0.218 1
1 324 . 5 1 1 A 34 34 ILE C C 34 177.422 177.337 0.085 1
1 326 . 5 1 1 A 35 35 HIS N N 35 117.061 119.652 -2.591 1
1 327 . 5 1 1 A 35 35 HIS H H 35 7.143 7.417 -0.274 1
1 328 . 5 1 1 A 35 35 HIS CA C 35 55.554 59.184 -3.630 1
1 329 . 5 1 1 A 35 35 HIS HA H 35 4.798 4.294 0.504 1
1 330 . 5 1 1 A 35 35 HIS CB C 35 28.994 30.648 -1.654 1
1 336 . 5 1 1 A 35 35 HIS C C 35 176.009 175.487 0.522 1
1 338 . 5 1 1 A 36 36 THR N N 36 110.946 110.172 0.774 1
1 339 . 5 1 1 A 36 36 THR H H 36 7.834 7.927 -0.093 1
1 340 . 5 1 1 A 36 36 THR CA C 36 62.550 62.834 -0.284 1
1 341 . 5 1 1 A 36 36 THR HA H 36 4.312 4.229 0.083 1
1 342 . 5 1 1 A 36 36 THR CB C 36 69.804 68.472 1.332 1
1 348 . 5 1 1 A 36 36 THR C C 36 175.635 174.907 0.728 1
1 349 . 5 1 1 A 37 37 GLY N N 37 110.649 112.798 -2.149 1
1 350 . 5 1 1 A 37 37 GLY H H 37 8.196 8.675 -0.479 1
1 351 . 5 1 1 A 37 37 GLY CA C 37 45.414 45.468 -0.054 1
1 352 . 5 1 1 A 37 37 GLY HA3 H 37 3.920 4.144 -0.224 1
1 353 . 5 1 1 A 37 37 GLY C C 37 174.050 174.299 -0.249 1
1 354 . 5 1 1 A 37 37 GLY HA2 H 37 4.016 4.140 -0.124 1
1 355 . 5 1 1 A 38 38 GLU N N 38 120.504 121.192 -0.688 1
1 356 . 5 1 1 A 38 38 GLU H H 38 8.039 8.043 -0.004 1
1 357 . 5 1 1 A 38 38 GLU CA C 38 56.537 54.860 1.677 1
1 358 . 5 1 1 A 38 38 GLU HA H 38 4.215 4.720 -0.505 1
1 359 . 5 1 1 A 38 38 GLU CB C 38 30.588 31.775 -1.187 1
1 363 . 5 1 1 A 38 38 GLU C C 38 176.107 175.478 0.629 1
1 366 . 5 1 1 A 39 39 LYS N N 39 123.777 125.401 -1.624 1
1 367 . 5 1 1 A 39 39 LYS H H 39 8.401 8.559 -0.158 1
1 368 . 5 1 1 A 39 39 LYS CA C 39 54.099 53.039 1.060 1
1 369 . 5 1 1 A 39 39 LYS HA H 39 4.599 4.818 -0.219 1
1 370 . 5 1 1 A 39 39 LYS CB C 39 32.530 32.650 -0.120 1
1 378 . 5 1 1 A 39 39 LYS C C 39 174.452 174.770 -0.318 1
1 383 . 5 1 1 A 40 40 PRO CA C 40 63.195 62.306 0.889 1
1 384 . 5 1 1 A 40 40 PRO HA H 40 4.445 4.578 -0.133 1
1 385 . 5 1 1 A 40 40 PRO CB C 40 32.187 33.284 -1.097 1
1 391 . 5 1 1 A 40 40 PRO C C 40 176.911 176.860 0.051 1
1 395 . 5 1 1 A 41 41 SER N N 41 116.485 115.499 0.986 1
1 396 . 5 1 1 A 41 41 SER H H 41 8.449 8.821 -0.372 1
1 397 . 5 1 1 A 41 41 SER CA C 41 58.467 62.191 -3.724 1
1 398 . 5 1 1 A 41 41 SER HA H 41 4.468 4.186 0.282 1
1 399 . 5 1 1 A 41 41 SER CB C 41 63.909 63.078 0.831 1
1 401 . 5 1 1 A 41 41 SER C C 41 174.617 175.626 -1.009 1
1 403 . 5 1 1 A 42 42 GLY N N 42 110.609 105.297 5.312 1
1 404 . 5 1 1 A 42 42 GLY H H 42 8.216 7.763 0.453 1
1 405 . 5 1 1 A 42 42 GLY CA C 42 44.673 45.429 -0.756 1
1 406 . 5 1 1 A 42 42 GLY HA3 H 42 4.114 4.344 -0.230 1
1 407 . 5 1 1 A 42 42 GLY C C 42 171.713 171.654 0.059 1
1 408 . 5 1 1 A 42 42 GLY HA2 H 42 4.158 4.344 -0.186 1
1 409 . 5 1 1 A 43 43 PRO CA C 43 63.260 62.781 0.479 1
1 410 . 5 1 1 A 43 43 PRO HA H 43 4.484 4.550 -0.066 1
1 411 . 5 1 1 A 43 43 PRO CB C 43 32.216 32.914 -0.698 1
1 417 . 5 1 1 A 43 43 PRO C C 43 177.352 175.516 1.836 1
1 421 . 5 1 1 A 44 44 SER N N 44 116.409 119.804 -3.395 1
1 422 . 5 1 1 A 44 44 SER H H 44 8.511 8.812 -0.301 1
1 423 . 5 1 1 A 44 44 SER CA C 44 58.392 57.830 0.562 1
1 424 . 5 1 1 A 44 44 SER HA H 44 4.466 4.811 -0.345 1
1 425 . 5 1 1 A 44 44 SER CB C 44 63.748 63.926 -0.178 1
1 427 . 5 1 1 A 44 44 SER C C 44 174.615 173.849 0.766 1
1 429 . 5 1 1 A 45 45 SER N N 45 117.817 121.732 -3.915 1
1 430 . 5 1 1 A 45 45 SER H H 45 8.303 8.671 -0.368 1
1 431 . 5 1 1 A 45 45 SER CA C 45 58.381 59.606 -1.225 1
1 432 . 5 1 1 A 45 45 SER HA H 45 4.452 4.599 -0.147 1
1 433 . 5 1 1 A 45 45 SER CB C 45 64.070 64.849 -0.779 1
1 435 . 5 1 1 A 45 45 SER C C 45 173.885 175.599 -1.714 1
1 1 . 6 1 1 A 8 8 HIS CA C 8 56.329 55.390 0.939 1
1 2 . 6 1 1 A 8 8 HIS HA H 8 4.628 5.137 -0.509 1
1 3 . 6 1 1 A 8 8 HIS CB C 8 30.709 33.326 -2.617 1
1 10 . 6 1 1 A 9 9 GLY CA C 9 45.330 45.623 -0.293 1
1 11 . 6 1 1 A 9 9 GLY HA3 H 9 3.909 4.156 -0.247 1
1 12 . 6 1 1 A 9 9 GLY C C 9 174.145 174.716 -0.571 1
1 13 . 6 1 1 A 9 9 GLY HA2 H 9 3.909 4.088 -0.179 1
1 14 . 6 1 1 A 10 10 GLU N N 10 120.846 119.687 1.159 1
1 15 . 6 1 1 A 10 10 GLU H H 10 8.353 8.016 0.337 1
1 16 . 6 1 1 A 10 10 GLU CA C 10 56.524 56.880 -0.356 1
1 17 . 6 1 1 A 10 10 GLU HA H 10 4.225 4.323 -0.098 1
1 18 . 6 1 1 A 10 10 GLU CB C 10 30.384 30.696 -0.312 1
1 22 . 6 1 1 A 10 10 GLU C C 10 176.348 175.233 1.115 1
1 25 . 6 1 1 A 11 11 ARG N N 11 121.539 123.958 -2.419 1
1 26 . 6 1 1 A 11 11 ARG H H 11 8.281 8.692 -0.411 1
1 27 . 6 1 1 A 11 11 ARG CA C 11 56.005 54.728 1.277 1
1 28 . 6 1 1 A 11 11 ARG HA H 11 4.316 4.956 -0.640 1
1 29 . 6 1 1 A 11 11 ARG CB C 11 31.130 33.287 -2.157 1
1 35 . 6 1 1 A 11 11 ARG C C 11 176.001 175.967 0.034 1
1 39 . 6 1 1 A 12 12 GLY N N 12 107.819 113.588 -5.769 1
1 40 . 6 1 1 A 12 12 GLY H H 12 8.075 8.471 -0.396 1
1 41 . 6 1 1 A 12 12 GLY CA C 12 44.814 44.963 -0.149 1
1 42 . 6 1 1 A 12 12 GLY HA3 H 12 4.014 3.757 0.257 1
1 43 . 6 1 1 A 12 12 GLY C C 12 172.193 172.292 -0.099 1
1 44 . 6 1 1 A 12 12 GLY HA2 H 12 3.651 3.590 0.061 1
1 45 . 6 1 1 A 13 13 HIS N N 13 119.279 118.650 0.629 1
1 46 . 6 1 1 A 13 13 HIS H H 13 8.024 7.728 0.296 1
1 47 . 6 1 1 A 13 13 HIS CA C 13 55.118 54.193 0.925 1
1 48 . 6 1 1 A 13 13 HIS HA H 13 4.235 4.918 -0.683 1
1 49 . 6 1 1 A 13 13 HIS CB C 13 31.866 31.790 0.076 1
1 55 . 6 1 1 A 13 13 HIS C C 13 173.211 173.346 -0.135 1
1 57 . 6 1 1 A 14 14 ARG N N 14 124.116 125.458 -1.342 1
1 58 . 6 1 1 A 14 14 ARG H H 14 8.606 9.015 -0.409 1
1 59 . 6 1 1 A 14 14 ARG CA C 14 54.263 54.508 -0.245 1
1 60 . 6 1 1 A 14 14 ARG HA H 14 4.820 5.481 -0.661 1
1 61 . 6 1 1 A 14 14 ARG CB C 14 32.523 32.254 0.269 1
1 67 . 6 1 1 A 14 14 ARG C C 14 175.690 176.411 -0.721 1
1 71 . 6 1 1 A 15 15 CYS N N 15 128.999 125.206 3.793 1
1 72 . 6 1 1 A 15 15 CYS H H 15 9.354 9.075 0.279 1
1 73 . 6 1 1 A 15 15 CYS CA C 15 59.902 59.400 0.502 1
1 74 . 6 1 1 A 15 15 CYS HA H 15 4.843 4.979 -0.136 1
1 75 . 6 1 1 A 15 15 CYS CB C 15 30.080 29.465 0.615 1
1 77 . 6 1 1 A 15 15 CYS C C 15 177.294 174.782 2.512 1
1 79 . 6 1 1 A 16 16 SER CA C 16 61.138 60.165 0.973 1
1 80 . 6 1 1 A 16 16 SER HA H 16 4.245 4.572 -0.327 1
1 81 . 6 1 1 A 16 16 SER CB C 16 63.060 63.964 -0.904 1
1 83 . 6 1 1 A 16 16 SER C C 16 174.763 175.302 -0.539 1
1 85 . 6 1 1 A 17 17 ASP N N 17 121.918 122.083 -0.165 1
1 86 . 6 1 1 A 17 17 ASP H H 17 8.415 7.716 0.699 1
1 87 . 6 1 1 A 17 17 ASP CA C 17 57.173 57.234 -0.061 1
1 88 . 6 1 1 A 17 17 ASP HA H 17 4.602 4.222 0.380 1
1 89 . 6 1 1 A 17 17 ASP CB C 17 41.250 39.836 1.414 1
1 91 . 6 1 1 A 17 17 ASP C C 17 176.420 177.608 -1.188 1
1 93 . 6 1 1 A 18 18 CYS N N 18 114.553 114.287 0.266 1
1 94 . 6 1 1 A 18 18 CYS H H 18 7.796 7.386 0.410 1
1 95 . 6 1 1 A 18 18 CYS CA C 18 58.608 59.690 -1.082 1
1 96 . 6 1 1 A 18 18 CYS HA H 18 5.206 4.631 0.575 1
1 97 . 6 1 1 A 18 18 CYS CB C 18 32.187 29.774 2.413 1
1 99 . 6 1 1 A 18 18 CYS C C 18 176.107 175.516 0.591 1
1 101 . 6 1 1 A 19 19 GLY N N 19 113.601 110.362 3.239 1
1 102 . 6 1 1 A 19 19 GLY H H 19 8.268 8.276 -0.008 1
1 103 . 6 1 1 A 19 19 GLY CA C 19 46.294 45.775 0.519 1
1 104 . 6 1 1 A 19 19 GLY HA3 H 19 4.251 4.122 0.129 1
1 105 . 6 1 1 A 19 19 GLY C C 19 173.687 174.395 -0.708 1
1 106 . 6 1 1 A 19 19 GLY HA2 H 19 3.794 4.089 -0.295 1
1 107 . 6 1 1 A 20 20 LYS N N 20 121.922 119.168 2.754 1
1 108 . 6 1 1 A 20 20 LYS H H 20 7.833 8.013 -0.180 1
1 109 . 6 1 1 A 20 20 LYS CA C 20 58.157 55.297 2.860 1
1 110 . 6 1 1 A 20 20 LYS HA H 20 4.133 4.807 -0.674 1
1 111 . 6 1 1 A 20 20 LYS CB C 20 34.348 34.681 -0.333 1
1 119 . 6 1 1 A 20 20 LYS C C 20 174.006 175.322 -1.316 1
1 124 . 6 1 1 A 21 21 PHE N N 21 121.592 122.892 -1.300 1
1 125 . 6 1 1 A 21 21 PHE H H 21 8.197 8.700 -0.503 1
1 126 . 6 1 1 A 21 21 PHE CA C 21 57.064 56.719 0.345 1
1 127 . 6 1 1 A 21 21 PHE HA H 21 5.118 5.632 -0.514 1
1 128 . 6 1 1 A 21 21 PHE CB C 21 42.295 43.215 -0.920 1
1 140 . 6 1 1 A 21 21 PHE C C 21 174.756 173.251 1.505 1
1 142 . 6 1 1 A 22 22 PHE N N 22 122.744 122.751 -0.007 1
1 143 . 6 1 1 A 22 22 PHE H H 22 8.535 7.653 0.882 1
1 144 . 6 1 1 A 22 22 PHE CA C 22 56.937 56.288 0.649 1
1 145 . 6 1 1 A 22 22 PHE HA H 22 4.467 4.953 -0.486 1
1 146 . 6 1 1 A 22 22 PHE CB C 22 42.745 44.239 -1.494 1
1 158 . 6 1 1 A 22 22 PHE C C 22 174.570 174.882 -0.312 1
1 160 . 6 1 1 A 23 23 LEU N N 23 124.547 121.055 3.492 1
1 161 . 6 1 1 A 23 23 LEU H H 23 8.632 8.468 0.164 1
1 162 . 6 1 1 A 23 23 LEU CA C 23 57.016 55.568 1.448 1
1 163 . 6 1 1 A 23 23 LEU HA H 23 4.190 4.414 -0.224 1
1 164 . 6 1 1 A 23 23 LEU CB C 23 43.006 43.786 -0.780 1
1 176 . 6 1 1 A 23 23 LEU C C 23 177.399 176.295 1.104 1
1 178 . 6 1 1 A 24 24 GLN N N 24 115.779 118.246 -2.467 1
1 179 . 6 1 1 A 24 24 GLN H H 24 8.246 7.595 0.651 1
1 180 . 6 1 1 A 24 24 GLN CA C 24 54.687 54.931 -0.244 1
1 181 . 6 1 1 A 24 24 GLN HA H 24 4.787 4.638 0.149 1
1 182 . 6 1 1 A 24 24 GLN CB C 24 29.974 28.759 1.215 1
1 189 . 6 1 1 A 24 24 GLN C C 24 176.712 176.252 0.460 1
1 192 . 6 1 1 A 25 25 ALA CA C 25 55.575 55.639 -0.064 1
1 193 . 6 1 1 A 25 25 ALA HA H 25 3.542 3.645 -0.103 1
1 194 . 6 1 1 A 25 25 ALA CB C 25 18.019 18.369 -0.350 1
1 198 . 6 1 1 A 25 25 ALA C C 25 179.282 179.520 -0.238 1
1 199 . 6 1 1 A 26 26 SER N N 26 111.647 112.911 -1.264 1
1 200 . 6 1 1 A 26 26 SER H H 26 8.886 8.457 0.429 1
1 201 . 6 1 1 A 26 26 SER CA C 26 61.362 61.397 -0.035 1
1 202 . 6 1 1 A 26 26 SER HA H 26 4.039 4.174 -0.135 1
1 203 . 6 1 1 A 26 26 SER CB C 26 61.561 62.485 -0.924 1
1 205 . 6 1 1 A 26 26 SER C C 26 177.406 177.306 0.100 1
1 207 . 6 1 1 A 27 27 ASN N N 27 119.503 119.520 -0.017 1
1 208 . 6 1 1 A 27 27 ASN H H 27 7.021 8.424 -1.403 1
1 209 . 6 1 1 A 27 27 ASN CA C 27 55.428 56.442 -1.014 1
1 210 . 6 1 1 A 27 27 ASN HA H 27 4.575 4.435 0.140 1
1 211 . 6 1 1 A 27 27 ASN CB C 27 38.410 38.249 0.161 1
1 216 . 6 1 1 A 27 27 ASN C C 27 177.285 178.172 -0.887 1
1 218 . 6 1 1 A 28 28 PHE N N 28 123.068 121.792 1.276 1
1 219 . 6 1 1 A 28 28 PHE H H 28 7.786 8.178 -0.392 1
1 220 . 6 1 1 A 28 28 PHE CA C 28 60.488 60.138 0.350 1
1 221 . 6 1 1 A 28 28 PHE HA H 28 3.240 3.141 0.099 1
1 222 . 6 1 1 A 28 28 PHE CB C 28 38.809 39.097 -0.288 1
1 234 . 6 1 1 A 28 28 PHE C C 28 175.850 176.800 -0.950 1
1 236 . 6 1 1 A 29 29 ILE N N 29 119.421 119.514 -0.093 1
1 237 . 6 1 1 A 29 29 ILE H H 29 8.501 8.008 0.493 1
1 238 . 6 1 1 A 29 29 ILE CA C 29 64.558 64.415 0.143 1
1 239 . 6 1 1 A 29 29 ILE HA H 29 3.221 3.452 -0.231 1
1 240 . 6 1 1 A 29 29 ILE CB C 29 37.818 37.438 0.380 1
1 252 . 6 1 1 A 29 29 ILE C C 29 178.885 178.803 0.082 1
1 254 . 6 1 1 A 30 30 GLN N N 30 117.482 117.596 -0.114 1
1 255 . 6 1 1 A 30 30 GLN H H 30 7.343 8.056 -0.713 1
1 256 . 6 1 1 A 30 30 GLN CA C 30 58.656 57.750 0.906 1
1 257 . 6 1 1 A 30 30 GLN HA H 30 3.885 4.088 -0.203 1
1 258 . 6 1 1 A 30 30 GLN CB C 30 28.460 28.370 0.090 1
1 265 . 6 1 1 A 30 30 GLN C C 30 178.347 177.380 0.967 1
1 268 . 6 1 1 A 31 31 HIS N N 31 119.125 120.627 -1.502 1
1 269 . 6 1 1 A 31 31 HIS H H 31 7.738 7.883 -0.145 1
1 270 . 6 1 1 A 31 31 HIS CA C 31 59.348 58.662 0.686 1
1 271 . 6 1 1 A 31 31 HIS HA H 31 4.052 4.231 -0.179 1
1 272 . 6 1 1 A 31 31 HIS CB C 31 28.129 29.882 -1.753 1
1 278 . 6 1 1 A 31 31 HIS C C 31 176.394 177.028 -0.634 1
1 280 . 6 1 1 A 32 32 ARG N N 32 115.404 118.196 -2.792 1
1 281 . 6 1 1 A 32 32 ARG H H 32 7.920 7.624 0.296 1
1 282 . 6 1 1 A 32 32 ARG CA C 32 58.191 58.238 -0.047 1
1 283 . 6 1 1 A 32 32 ARG HA H 32 3.510 3.989 -0.479 1
1 284 . 6 1 1 A 32 32 ARG CB C 32 28.088 29.747 -1.659 1
1 290 . 6 1 1 A 32 32 ARG C C 32 177.828 178.277 -0.449 1
1 294 . 6 1 1 A 33 33 ARG N N 33 116.284 118.148 -1.864 1
1 295 . 6 1 1 A 33 33 ARG H H 33 7.025 7.747 -0.722 1
1 296 . 6 1 1 A 33 33 ARG CA C 33 58.538 59.213 -0.675 1
1 297 . 6 1 1 A 33 33 ARG HA H 33 4.094 3.975 0.119 1
1 298 . 6 1 1 A 33 33 ARG CB C 33 29.994 30.245 -0.251 1
1 304 . 6 1 1 A 33 33 ARG C C 33 178.632 178.819 -0.187 1
1 308 . 6 1 1 A 34 34 ILE N N 34 116.774 116.966 -0.192 1
1 309 . 6 1 1 A 34 34 ILE H H 34 7.715 7.582 0.133 1
1 310 . 6 1 1 A 34 34 ILE CA C 34 63.294 64.272 -0.978 1
1 311 . 6 1 1 A 34 34 ILE HA H 34 3.886 3.737 0.149 1
1 312 . 6 1 1 A 34 34 ILE CB C 34 37.481 37.244 0.237 1
1 324 . 6 1 1 A 34 34 ILE C C 34 177.422 177.323 0.099 1
1 326 . 6 1 1 A 35 35 HIS N N 35 117.061 119.572 -2.511 1
1 327 . 6 1 1 A 35 35 HIS H H 35 7.143 7.322 -0.179 1
1 328 . 6 1 1 A 35 35 HIS CA C 35 55.554 59.541 -3.987 1
1 329 . 6 1 1 A 35 35 HIS HA H 35 4.798 4.320 0.478 1
1 330 . 6 1 1 A 35 35 HIS CB C 35 28.994 30.833 -1.839 1
1 336 . 6 1 1 A 35 35 HIS C C 35 176.009 175.485 0.524 1
1 338 . 6 1 1 A 36 36 THR N N 36 110.946 112.128 -1.182 1
1 339 . 6 1 1 A 36 36 THR H H 36 7.834 7.876 -0.042 1
1 340 . 6 1 1 A 36 36 THR CA C 36 62.550 62.138 0.412 1
1 341 . 6 1 1 A 36 36 THR HA H 36 4.312 4.199 0.113 1
1 342 . 6 1 1 A 36 36 THR CB C 36 69.804 69.002 0.802 1
1 348 . 6 1 1 A 36 36 THR C C 36 175.635 174.723 0.912 1
1 349 . 6 1 1 A 37 37 GLY N N 37 110.649 110.818 -0.169 1
1 350 . 6 1 1 A 37 37 GLY H H 37 8.196 8.331 -0.135 1
1 351 . 6 1 1 A 37 37 GLY CA C 37 45.414 46.161 -0.747 1
1 352 . 6 1 1 A 37 37 GLY HA3 H 37 3.920 4.233 -0.313 1
1 353 . 6 1 1 A 37 37 GLY C C 37 174.050 172.599 1.451 1
1 354 . 6 1 1 A 37 37 GLY HA2 H 37 4.016 4.231 -0.215 1
1 355 . 6 1 1 A 38 38 GLU N N 38 120.504 122.497 -1.993 1
1 356 . 6 1 1 A 38 38 GLU H H 38 8.039 8.470 -0.431 1
1 357 . 6 1 1 A 38 38 GLU CA C 38 56.537 55.436 1.101 1
1 358 . 6 1 1 A 38 38 GLU HA H 38 4.215 4.462 -0.247 1
1 359 . 6 1 1 A 38 38 GLU CB C 38 30.588 28.171 2.417 1
1 363 . 6 1 1 A 38 38 GLU C C 38 176.107 175.391 0.716 1
1 366 . 6 1 1 A 39 39 LYS N N 39 123.777 121.794 1.983 1
1 367 . 6 1 1 A 39 39 LYS H H 39 8.401 7.178 1.223 1
1 368 . 6 1 1 A 39 39 LYS CA C 39 54.099 54.441 -0.342 1
1 369 . 6 1 1 A 39 39 LYS HA H 39 4.599 4.487 0.112 1
1 370 . 6 1 1 A 39 39 LYS CB C 39 32.530 31.441 1.089 1
1 378 . 6 1 1 A 39 39 LYS C C 39 174.452 174.515 -0.063 1
1 383 . 6 1 1 A 40 40 PRO CA C 40 63.195 62.605 0.590 1
1 384 . 6 1 1 A 40 40 PRO HA H 40 4.445 4.518 -0.073 1
1 385 . 6 1 1 A 40 40 PRO CB C 40 32.187 32.089 0.098 1
1 391 . 6 1 1 A 40 40 PRO C C 40 176.911 176.393 0.518 1
1 395 . 6 1 1 A 41 41 SER N N 41 116.485 115.714 0.771 1
1 396 . 6 1 1 A 41 41 SER H H 41 8.449 8.362 0.087 1
1 397 . 6 1 1 A 41 41 SER CA C 41 58.467 58.600 -0.133 1
1 398 . 6 1 1 A 41 41 SER HA H 41 4.468 4.650 -0.182 1
1 399 . 6 1 1 A 41 41 SER CB C 41 63.909 63.434 0.475 1
1 401 . 6 1 1 A 41 41 SER C C 41 174.617 174.732 -0.115 1
1 403 . 6 1 1 A 42 42 GLY N N 42 110.609 112.425 -1.816 1
1 404 . 6 1 1 A 42 42 GLY H H 42 8.216 8.951 -0.735 1
1 405 . 6 1 1 A 42 42 GLY CA C 42 44.673 47.146 -2.473 1
1 406 . 6 1 1 A 42 42 GLY HA3 H 42 4.114 3.852 0.262 1
1 407 . 6 1 1 A 42 42 GLY C C 42 171.713 173.976 -2.263 1
1 408 . 6 1 1 A 42 42 GLY HA2 H 42 4.158 3.851 0.307 1
1 409 . 6 1 1 A 43 43 PRO CA C 43 63.260 62.891 0.369 1
1 410 . 6 1 1 A 43 43 PRO HA H 43 4.484 4.438 0.046 1
1 411 . 6 1 1 A 43 43 PRO CB C 43 32.216 32.465 -0.249 1
1 417 . 6 1 1 A 43 43 PRO C C 43 177.352 177.001 0.351 1
1 421 . 6 1 1 A 44 44 SER N N 44 116.409 117.474 -1.065 1
1 422 . 6 1 1 A 44 44 SER H H 44 8.511 8.803 -0.292 1
1 423 . 6 1 1 A 44 44 SER CA C 44 58.392 58.984 -0.592 1
1 424 . 6 1 1 A 44 44 SER HA H 44 4.466 4.212 0.254 1
1 425 . 6 1 1 A 44 44 SER CB C 44 63.748 61.084 2.664 1
1 427 . 6 1 1 A 44 44 SER C C 44 174.615 173.184 1.431 1
1 429 . 6 1 1 A 45 45 SER N N 45 117.817 116.145 1.672 1
1 430 . 6 1 1 A 45 45 SER H H 45 8.303 7.473 0.830 1
1 431 . 6 1 1 A 45 45 SER CA C 45 58.381 57.139 1.242 1
1 432 . 6 1 1 A 45 45 SER HA H 45 4.452 5.321 -0.869 1
1 433 . 6 1 1 A 45 45 SER CB C 45 64.070 67.701 -3.631 1
1 435 . 6 1 1 A 45 45 SER C C 45 173.885 173.570 0.315 1
1 1 . 7 1 1 A 8 8 HIS CA C 8 56.329 58.343 -2.014 1
1 2 . 7 1 1 A 8 8 HIS HA H 8 4.628 4.587 0.041 1
1 3 . 7 1 1 A 8 8 HIS CB C 8 30.709 30.661 0.048 1
1 10 . 7 1 1 A 9 9 GLY CA C 9 45.330 44.819 0.511 1
1 11 . 7 1 1 A 9 9 GLY HA3 H 9 3.909 4.022 -0.113 1
1 12 . 7 1 1 A 9 9 GLY C C 9 174.145 173.740 0.405 1
1 13 . 7 1 1 A 9 9 GLY HA2 H 9 3.909 4.021 -0.112 1
1 14 . 7 1 1 A 10 10 GLU N N 10 120.846 120.062 0.784 1
1 15 . 7 1 1 A 10 10 GLU H H 10 8.353 8.341 0.012 1
1 16 . 7 1 1 A 10 10 GLU CA C 10 56.524 55.851 0.673 1
1 17 . 7 1 1 A 10 10 GLU HA H 10 4.225 4.612 -0.387 1
1 18 . 7 1 1 A 10 10 GLU CB C 10 30.384 30.108 0.276 1
1 22 . 7 1 1 A 10 10 GLU C C 10 176.348 176.177 0.171 1
1 25 . 7 1 1 A 11 11 ARG N N 11 121.539 123.401 -1.862 1
1 26 . 7 1 1 A 11 11 ARG H H 11 8.281 8.456 -0.175 1
1 27 . 7 1 1 A 11 11 ARG CA C 11 56.005 53.787 2.218 1
1 28 . 7 1 1 A 11 11 ARG HA H 11 4.316 4.888 -0.572 1
1 29 . 7 1 1 A 11 11 ARG CB C 11 31.130 34.201 -3.071 1
1 35 . 7 1 1 A 11 11 ARG C C 11 176.001 176.160 -0.159 1
1 39 . 7 1 1 A 12 12 GLY N N 12 107.819 108.423 -0.604 1
1 40 . 7 1 1 A 12 12 GLY H H 12 8.075 8.525 -0.450 1
1 41 . 7 1 1 A 12 12 GLY CA C 12 44.814 44.307 0.507 1
1 42 . 7 1 1 A 12 12 GLY HA3 H 12 4.014 3.956 0.058 1
1 43 . 7 1 1 A 12 12 GLY C C 12 172.193 172.769 -0.576 1
1 44 . 7 1 1 A 12 12 GLY HA2 H 12 3.651 3.754 -0.103 1
1 45 . 7 1 1 A 13 13 HIS N N 13 119.279 117.451 1.828 1
1 46 . 7 1 1 A 13 13 HIS H H 13 8.024 7.669 0.355 1
1 47 . 7 1 1 A 13 13 HIS CA C 13 55.118 54.108 1.010 1
1 48 . 7 1 1 A 13 13 HIS HA H 13 4.235 4.682 -0.447 1
1 49 . 7 1 1 A 13 13 HIS CB C 13 31.866 31.603 0.263 1
1 55 . 7 1 1 A 13 13 HIS C C 13 173.211 173.088 0.123 1
1 57 . 7 1 1 A 14 14 ARG N N 14 124.116 125.048 -0.932 1
1 58 . 7 1 1 A 14 14 ARG H H 14 8.606 8.697 -0.091 1
1 59 . 7 1 1 A 14 14 ARG CA C 14 54.263 55.187 -0.924 1
1 60 . 7 1 1 A 14 14 ARG HA H 14 4.820 5.094 -0.274 1
1 61 . 7 1 1 A 14 14 ARG CB C 14 32.523 31.806 0.717 1
1 67 . 7 1 1 A 14 14 ARG C C 14 175.690 176.625 -0.935 1
1 71 . 7 1 1 A 15 15 CYS N N 15 128.999 125.361 3.638 1
1 72 . 7 1 1 A 15 15 CYS H H 15 9.354 9.333 0.021 1
1 73 . 7 1 1 A 15 15 CYS CA C 15 59.902 59.492 0.410 1
1 74 . 7 1 1 A 15 15 CYS HA H 15 4.843 5.048 -0.205 1
1 75 . 7 1 1 A 15 15 CYS CB C 15 30.080 29.497 0.583 1
1 77 . 7 1 1 A 15 15 CYS C C 15 177.294 174.964 2.330 1
1 79 . 7 1 1 A 16 16 SER CA C 16 61.138 60.163 0.975 1
1 80 . 7 1 1 A 16 16 SER HA H 16 4.245 4.468 -0.223 1
1 81 . 7 1 1 A 16 16 SER CB C 16 63.060 64.050 -0.990 1
1 83 . 7 1 1 A 16 16 SER C C 16 174.763 176.296 -1.533 1
1 85 . 7 1 1 A 17 17 ASP N N 17 121.918 122.007 -0.089 1
1 86 . 7 1 1 A 17 17 ASP H H 17 8.415 7.704 0.711 1
1 87 . 7 1 1 A 17 17 ASP CA C 17 57.173 57.316 -0.143 1
1 88 . 7 1 1 A 17 17 ASP HA H 17 4.602 4.182 0.420 1
1 89 . 7 1 1 A 17 17 ASP CB C 17 41.250 39.791 1.459 1
1 91 . 7 1 1 A 17 17 ASP C C 17 176.420 177.593 -1.173 1
1 93 . 7 1 1 A 18 18 CYS N N 18 114.553 113.711 0.842 1
1 94 . 7 1 1 A 18 18 CYS H H 18 7.796 7.327 0.469 1
1 95 . 7 1 1 A 18 18 CYS CA C 18 58.608 59.633 -1.025 1
1 96 . 7 1 1 A 18 18 CYS HA H 18 5.206 4.604 0.602 1
1 97 . 7 1 1 A 18 18 CYS CB C 18 32.187 29.528 2.659 1
1 99 . 7 1 1 A 18 18 CYS C C 18 176.107 175.354 0.753 1
1 101 . 7 1 1 A 19 19 GLY N N 19 113.601 110.441 3.160 1
1 102 . 7 1 1 A 19 19 GLY H H 19 8.268 8.231 0.037 1
1 103 . 7 1 1 A 19 19 GLY CA C 19 46.294 45.413 0.881 1
1 104 . 7 1 1 A 19 19 GLY HA3 H 19 4.251 4.130 0.121 1
1 105 . 7 1 1 A 19 19 GLY C C 19 173.687 174.622 -0.935 1
1 106 . 7 1 1 A 19 19 GLY HA2 H 19 3.794 4.100 -0.306 1
1 107 . 7 1 1 A 20 20 LYS N N 20 121.922 119.358 2.564 1
1 108 . 7 1 1 A 20 20 LYS H H 20 7.833 7.984 -0.151 1
1 109 . 7 1 1 A 20 20 LYS CA C 20 58.157 56.099 2.058 1
1 110 . 7 1 1 A 20 20 LYS HA H 20 4.133 4.676 -0.543 1
1 111 . 7 1 1 A 20 20 LYS CB C 20 34.348 34.648 -0.300 1
1 119 . 7 1 1 A 20 20 LYS C C 20 174.006 175.380 -1.374 1
1 124 . 7 1 1 A 21 21 PHE N N 21 121.592 122.743 -1.151 1
1 125 . 7 1 1 A 21 21 PHE H H 21 8.197 8.737 -0.540 1
1 126 . 7 1 1 A 21 21 PHE CA C 21 57.064 56.730 0.334 1
1 127 . 7 1 1 A 21 21 PHE HA H 21 5.118 5.631 -0.513 1
1 128 . 7 1 1 A 21 21 PHE CB C 21 42.295 43.229 -0.934 1
1 140 . 7 1 1 A 21 21 PHE C C 21 174.756 173.326 1.430 1
1 142 . 7 1 1 A 22 22 PHE N N 22 122.744 122.705 0.039 1
1 143 . 7 1 1 A 22 22 PHE H H 22 8.535 7.983 0.552 1
1 144 . 7 1 1 A 22 22 PHE CA C 22 56.937 56.042 0.895 1
1 145 . 7 1 1 A 22 22 PHE HA H 22 4.467 4.929 -0.462 1
1 146 . 7 1 1 A 22 22 PHE CB C 22 42.745 44.181 -1.436 1
1 158 . 7 1 1 A 22 22 PHE C C 22 174.570 174.900 -0.330 1
1 160 . 7 1 1 A 23 23 LEU N N 23 124.547 119.807 4.740 1
1 161 . 7 1 1 A 23 23 LEU H H 23 8.632 8.511 0.121 1
1 162 . 7 1 1 A 23 23 LEU CA C 23 57.016 55.368 1.648 1
1 163 . 7 1 1 A 23 23 LEU HA H 23 4.190 4.554 -0.364 1
1 164 . 7 1 1 A 23 23 LEU CB C 23 43.006 44.467 -1.461 1
1 176 . 7 1 1 A 23 23 LEU C C 23 177.399 176.044 1.355 1
1 178 . 7 1 1 A 24 24 GLN N N 24 115.779 118.287 -2.508 1
1 179 . 7 1 1 A 24 24 GLN H H 24 8.246 7.613 0.633 1
1 180 . 7 1 1 A 24 24 GLN CA C 24 54.687 54.789 -0.102 1
1 181 . 7 1 1 A 24 24 GLN HA H 24 4.787 4.605 0.182 1
1 182 . 7 1 1 A 24 24 GLN CB C 24 29.974 29.008 0.966 1
1 189 . 7 1 1 A 24 24 GLN C C 24 176.712 176.067 0.645 1
1 192 . 7 1 1 A 25 25 ALA CA C 25 55.575 55.482 0.093 1
1 193 . 7 1 1 A 25 25 ALA HA H 25 3.542 3.461 0.081 1
1 194 . 7 1 1 A 25 25 ALA CB C 25 18.019 18.190 -0.171 1
1 198 . 7 1 1 A 25 25 ALA C C 25 179.282 179.460 -0.178 1
1 199 . 7 1 1 A 26 26 SER N N 26 111.647 112.731 -1.084 1
1 200 . 7 1 1 A 26 26 SER H H 26 8.886 8.312 0.574 1
1 201 . 7 1 1 A 26 26 SER CA C 26 61.362 61.458 -0.096 1
1 202 . 7 1 1 A 26 26 SER HA H 26 4.039 4.176 -0.137 1
1 203 . 7 1 1 A 26 26 SER CB C 26 61.561 62.602 -1.041 1
1 205 . 7 1 1 A 26 26 SER C C 26 177.406 177.206 0.200 1
1 207 . 7 1 1 A 27 27 ASN N N 27 119.503 119.570 -0.067 1
1 208 . 7 1 1 A 27 27 ASN H H 27 7.021 8.089 -1.068 1
1 209 . 7 1 1 A 27 27 ASN CA C 27 55.428 56.399 -0.971 1
1 210 . 7 1 1 A 27 27 ASN HA H 27 4.575 4.405 0.170 1
1 211 . 7 1 1 A 27 27 ASN CB C 27 38.410 38.055 0.355 1
1 216 . 7 1 1 A 27 27 ASN C C 27 177.285 178.139 -0.854 1
1 218 . 7 1 1 A 28 28 PHE N N 28 123.068 121.850 1.218 1
1 219 . 7 1 1 A 28 28 PHE H H 28 7.786 8.092 -0.306 1
1 220 . 7 1 1 A 28 28 PHE CA C 28 60.488 60.172 0.316 1
1 221 . 7 1 1 A 28 28 PHE HA H 28 3.240 3.126 0.114 1
1 222 . 7 1 1 A 28 28 PHE CB C 28 38.809 38.956 -0.147 1
1 234 . 7 1 1 A 28 28 PHE C C 28 175.850 176.865 -1.015 1
1 236 . 7 1 1 A 29 29 ILE N N 29 119.421 119.554 -0.133 1
1 237 . 7 1 1 A 29 29 ILE H H 29 8.501 7.970 0.531 1
1 238 . 7 1 1 A 29 29 ILE CA C 29 64.558 64.343 0.215 1
1 239 . 7 1 1 A 29 29 ILE HA H 29 3.221 3.441 -0.220 1
1 240 . 7 1 1 A 29 29 ILE CB C 29 37.818 37.408 0.410 1
1 252 . 7 1 1 A 29 29 ILE C C 29 178.885 178.786 0.099 1
1 254 . 7 1 1 A 30 30 GLN N N 30 117.482 117.609 -0.127 1
1 255 . 7 1 1 A 30 30 GLN H H 30 7.343 7.972 -0.629 1
1 256 . 7 1 1 A 30 30 GLN CA C 30 58.656 57.704 0.952 1
1 257 . 7 1 1 A 30 30 GLN HA H 30 3.885 4.084 -0.199 1
1 258 . 7 1 1 A 30 30 GLN CB C 30 28.460 28.393 0.067 1
1 265 . 7 1 1 A 30 30 GLN C C 30 178.347 177.385 0.962 1
1 268 . 7 1 1 A 31 31 HIS N N 31 119.125 120.629 -1.504 1
1 269 . 7 1 1 A 31 31 HIS H H 31 7.738 7.876 -0.138 1
1 270 . 7 1 1 A 31 31 HIS CA C 31 59.348 58.675 0.673 1
1 271 . 7 1 1 A 31 31 HIS HA H 31 4.052 4.244 -0.192 1
1 272 . 7 1 1 A 31 31 HIS CB C 31 28.129 29.905 -1.776 1
1 278 . 7 1 1 A 31 31 HIS C C 31 176.394 177.056 -0.662 1
1 280 . 7 1 1 A 32 32 ARG N N 32 115.404 118.185 -2.781 1
1 281 . 7 1 1 A 32 32 ARG H H 32 7.920 7.598 0.322 1
1 282 . 7 1 1 A 32 32 ARG CA C 32 58.191 58.130 0.061 1
1 283 . 7 1 1 A 32 32 ARG HA H 32 3.510 4.034 -0.524 1
1 284 . 7 1 1 A 32 32 ARG CB C 32 28.088 29.635 -1.547 1
1 290 . 7 1 1 A 32 32 ARG C C 32 177.828 177.960 -0.132 1
1 294 . 7 1 1 A 33 33 ARG N N 33 116.284 117.947 -1.663 1
1 295 . 7 1 1 A 33 33 ARG H H 33 7.025 7.729 -0.704 1
1 296 . 7 1 1 A 33 33 ARG CA C 33 58.538 58.802 -0.264 1
1 297 . 7 1 1 A 33 33 ARG HA H 33 4.094 3.989 0.105 1
1 298 . 7 1 1 A 33 33 ARG CB C 33 29.994 30.375 -0.381 1
1 304 . 7 1 1 A 33 33 ARG C C 33 178.632 178.806 -0.174 1
1 308 . 7 1 1 A 34 34 ILE N N 34 116.774 117.385 -0.611 1
1 309 . 7 1 1 A 34 34 ILE H H 34 7.715 7.586 0.129 1
1 310 . 7 1 1 A 34 34 ILE CA C 34 63.294 64.073 -0.779 1
1 311 . 7 1 1 A 34 34 ILE HA H 34 3.886 3.749 0.137 1
1 312 . 7 1 1 A 34 34 ILE CB C 34 37.481 37.239 0.242 1
1 324 . 7 1 1 A 34 34 ILE C C 34 177.422 177.487 -0.065 1
1 326 . 7 1 1 A 35 35 HIS N N 35 117.061 121.022 -3.961 1
1 327 . 7 1 1 A 35 35 HIS H H 35 7.143 7.325 -0.182 1
1 328 . 7 1 1 A 35 35 HIS CA C 35 55.554 59.832 -4.278 1
1 329 . 7 1 1 A 35 35 HIS HA H 35 4.798 4.211 0.587 1
1 330 . 7 1 1 A 35 35 HIS CB C 35 28.994 30.698 -1.704 1
1 336 . 7 1 1 A 35 35 HIS C C 35 176.009 178.087 -2.078 1
1 338 . 7 1 1 A 36 36 THR N N 36 110.946 112.881 -1.935 1
1 339 . 7 1 1 A 36 36 THR H H 36 7.834 8.530 -0.696 1
1 340 . 7 1 1 A 36 36 THR CA C 36 62.550 65.185 -2.635 1
1 341 . 7 1 1 A 36 36 THR HA H 36 4.312 4.025 0.287 1
1 342 . 7 1 1 A 36 36 THR CB C 36 69.804 68.293 1.511 1
1 348 . 7 1 1 A 36 36 THR C C 36 175.635 175.710 -0.075 1
1 349 . 7 1 1 A 37 37 GLY N N 37 110.649 109.982 0.667 1
1 350 . 7 1 1 A 37 37 GLY H H 37 8.196 8.117 0.079 1
1 351 . 7 1 1 A 37 37 GLY CA C 37 45.414 46.164 -0.750 1
1 352 . 7 1 1 A 37 37 GLY HA3 H 37 3.920 3.802 0.118 1
1 353 . 7 1 1 A 37 37 GLY C C 37 174.050 174.640 -0.590 1
1 354 . 7 1 1 A 37 37 GLY HA2 H 37 4.016 3.793 0.223 1
1 355 . 7 1 1 A 38 38 GLU N N 38 120.504 123.020 -2.516 1
1 356 . 7 1 1 A 38 38 GLU H H 38 8.039 8.367 -0.328 1
1 357 . 7 1 1 A 38 38 GLU CA C 38 56.537 57.880 -1.343 1
1 358 . 7 1 1 A 38 38 GLU HA H 38 4.215 4.249 -0.034 1
1 359 . 7 1 1 A 38 38 GLU CB C 38 30.588 30.336 0.252 1
1 363 . 7 1 1 A 38 38 GLU C C 38 176.107 175.580 0.527 1
1 366 . 7 1 1 A 39 39 LYS N N 39 123.777 123.750 0.027 1
1 367 . 7 1 1 A 39 39 LYS H H 39 8.401 8.510 -0.109 1
1 368 . 7 1 1 A 39 39 LYS CA C 39 54.099 52.782 1.317 1
1 369 . 7 1 1 A 39 39 LYS HA H 39 4.599 4.666 -0.067 1
1 370 . 7 1 1 A 39 39 LYS CB C 39 32.530 36.226 -3.696 1
1 378 . 7 1 1 A 39 39 LYS C C 39 174.452 175.653 -1.201 1
1 383 . 7 1 1 A 40 40 PRO CA C 40 63.195 64.011 -0.816 1
1 384 . 7 1 1 A 40 40 PRO HA H 40 4.445 4.381 0.064 1
1 385 . 7 1 1 A 40 40 PRO CB C 40 32.187 31.896 0.291 1
1 391 . 7 1 1 A 40 40 PRO C C 40 176.911 177.700 -0.789 1
1 395 . 7 1 1 A 41 41 SER N N 41 116.485 112.732 3.753 1
1 396 . 7 1 1 A 41 41 SER H H 41 8.449 8.190 0.259 1
1 397 . 7 1 1 A 41 41 SER CA C 41 58.467 58.958 -0.491 1
1 398 . 7 1 1 A 41 41 SER HA H 41 4.468 4.198 0.270 1
1 399 . 7 1 1 A 41 41 SER CB C 41 63.909 60.944 2.965 1
1 401 . 7 1 1 A 41 41 SER C C 41 174.617 174.456 0.161 1
1 403 . 7 1 1 A 42 42 GLY N N 42 110.609 108.630 1.979 1
1 404 . 7 1 1 A 42 42 GLY H H 42 8.216 8.363 -0.147 1
1 405 . 7 1 1 A 42 42 GLY CA C 42 44.673 46.260 -1.587 1
1 406 . 7 1 1 A 42 42 GLY HA3 H 42 4.114 4.034 0.080 1
1 407 . 7 1 1 A 42 42 GLY C C 42 171.713 175.313 -3.600 1
1 408 . 7 1 1 A 42 42 GLY HA2 H 42 4.158 4.034 0.124 1
1 409 . 7 1 1 A 43 43 PRO CA C 43 63.260 63.937 -0.677 1
1 410 . 7 1 1 A 43 43 PRO HA H 43 4.484 4.554 -0.070 1
1 411 . 7 1 1 A 43 43 PRO CB C 43 32.216 31.639 0.577 1
1 417 . 7 1 1 A 43 43 PRO C C 43 177.352 175.322 2.030 1
1 421 . 7 1 1 A 44 44 SER N N 44 116.409 111.097 5.312 1
1 422 . 7 1 1 A 44 44 SER H H 44 8.511 7.536 0.975 1
1 423 . 7 1 1 A 44 44 SER CA C 44 58.392 56.618 1.774 1
1 424 . 7 1 1 A 44 44 SER HA H 44 4.466 5.004 -0.538 1
1 425 . 7 1 1 A 44 44 SER CB C 44 63.748 66.409 -2.661 1
1 427 . 7 1 1 A 44 44 SER C C 44 174.615 172.890 1.725 1
1 429 . 7 1 1 A 45 45 SER N N 45 117.817 116.229 1.588 1
1 430 . 7 1 1 A 45 45 SER H H 45 8.303 8.744 -0.441 1
1 431 . 7 1 1 A 45 45 SER CA C 45 58.381 56.120 2.261 1
1 432 . 7 1 1 A 45 45 SER HA H 45 4.452 5.201 -0.749 1
1 433 . 7 1 1 A 45 45 SER CB C 45 64.070 65.598 -1.528 1
1 435 . 7 1 1 A 45 45 SER C C 45 173.885 173.945 -0.060 1
1 1 . 8 1 1 A 8 8 HIS CA C 8 56.329 56.258 0.071 1
1 2 . 8 1 1 A 8 8 HIS HA H 8 4.628 4.629 -0.001 1
1 3 . 8 1 1 A 8 8 HIS CB C 8 30.709 29.400 1.309 1
1 10 . 8 1 1 A 9 9 GLY CA C 9 45.330 45.861 -0.531 1
1 11 . 8 1 1 A 9 9 GLY HA3 H 9 3.909 4.023 -0.114 1
1 12 . 8 1 1 A 9 9 GLY C C 9 174.145 172.095 2.050 1
1 13 . 8 1 1 A 9 9 GLY HA2 H 9 3.909 4.021 -0.112 1
1 14 . 8 1 1 A 10 10 GLU N N 10 120.846 122.316 -1.470 1
1 15 . 8 1 1 A 10 10 GLU H H 10 8.353 9.287 -0.934 1
1 16 . 8 1 1 A 10 10 GLU CA C 10 56.524 54.410 2.114 1
1 17 . 8 1 1 A 10 10 GLU HA H 10 4.225 5.116 -0.891 1
1 18 . 8 1 1 A 10 10 GLU CB C 10 30.384 33.906 -3.522 1
1 22 . 8 1 1 A 10 10 GLU C C 10 176.348 174.881 1.467 1
1 25 . 8 1 1 A 11 11 ARG N N 11 121.539 122.217 -0.678 1
1 26 . 8 1 1 A 11 11 ARG H H 11 8.281 8.892 -0.611 1
1 27 . 8 1 1 A 11 11 ARG CA C 11 56.005 54.674 1.331 1
1 28 . 8 1 1 A 11 11 ARG HA H 11 4.316 4.694 -0.378 1
1 29 . 8 1 1 A 11 11 ARG CB C 11 31.130 31.355 -0.225 1
1 35 . 8 1 1 A 11 11 ARG C C 11 176.001 175.186 0.815 1
1 39 . 8 1 1 A 12 12 GLY N N 12 107.819 112.040 -4.221 1
1 40 . 8 1 1 A 12 12 GLY H H 12 8.075 8.042 0.033 1
1 41 . 8 1 1 A 12 12 GLY CA C 12 44.814 45.213 -0.399 1
1 42 . 8 1 1 A 12 12 GLY HA3 H 12 4.014 4.093 -0.079 1
1 43 . 8 1 1 A 12 12 GLY C C 12 172.193 171.313 0.880 1
1 44 . 8 1 1 A 12 12 GLY HA2 H 12 3.651 3.858 -0.207 1
1 45 . 8 1 1 A 13 13 HIS N N 13 119.279 118.910 0.369 1
1 46 . 8 1 1 A 13 13 HIS H H 13 8.024 7.588 0.436 1
1 47 . 8 1 1 A 13 13 HIS CA C 13 55.118 54.084 1.034 1
1 48 . 8 1 1 A 13 13 HIS HA H 13 4.235 4.766 -0.531 1
1 49 . 8 1 1 A 13 13 HIS CB C 13 31.866 31.715 0.151 1
1 55 . 8 1 1 A 13 13 HIS C C 13 173.211 173.113 0.098 1
1 57 . 8 1 1 A 14 14 ARG N N 14 124.116 125.228 -1.112 1
1 58 . 8 1 1 A 14 14 ARG H H 14 8.606 8.864 -0.258 1
1 59 . 8 1 1 A 14 14 ARG CA C 14 54.263 55.284 -1.021 1
1 60 . 8 1 1 A 14 14 ARG HA H 14 4.820 5.257 -0.437 1
1 61 . 8 1 1 A 14 14 ARG CB C 14 32.523 31.864 0.659 1
1 67 . 8 1 1 A 14 14 ARG C C 14 175.690 176.443 -0.753 1
1 71 . 8 1 1 A 15 15 CYS N N 15 128.999 125.243 3.756 1
1 72 . 8 1 1 A 15 15 CYS H H 15 9.354 9.187 0.167 1
1 73 . 8 1 1 A 15 15 CYS CA C 15 59.902 59.305 0.597 1
1 74 . 8 1 1 A 15 15 CYS HA H 15 4.843 5.049 -0.206 1
1 75 . 8 1 1 A 15 15 CYS CB C 15 30.080 29.537 0.543 1
1 77 . 8 1 1 A 15 15 CYS C C 15 177.294 174.892 2.402 1
1 79 . 8 1 1 A 16 16 SER CA C 16 61.138 60.111 1.027 1
1 80 . 8 1 1 A 16 16 SER HA H 16 4.245 4.466 -0.221 1
1 81 . 8 1 1 A 16 16 SER CB C 16 63.060 64.203 -1.143 1
1 83 . 8 1 1 A 16 16 SER C C 16 174.763 176.154 -1.391 1
1 85 . 8 1 1 A 17 17 ASP N N 17 121.918 122.100 -0.182 1
1 86 . 8 1 1 A 17 17 ASP H H 17 8.415 7.582 0.833 1
1 87 . 8 1 1 A 17 17 ASP CA C 17 57.173 57.140 0.033 1
1 88 . 8 1 1 A 17 17 ASP HA H 17 4.602 4.203 0.399 1
1 89 . 8 1 1 A 17 17 ASP CB C 17 41.250 39.482 1.768 1
1 91 . 8 1 1 A 17 17 ASP C C 17 176.420 177.568 -1.148 1
1 93 . 8 1 1 A 18 18 CYS N N 18 114.553 113.945 0.608 1
1 94 . 8 1 1 A 18 18 CYS H H 18 7.796 7.779 0.017 1
1 95 . 8 1 1 A 18 18 CYS CA C 18 58.608 59.626 -1.018 1
1 96 . 8 1 1 A 18 18 CYS HA H 18 5.206 4.625 0.581 1
1 97 . 8 1 1 A 18 18 CYS CB C 18 32.187 29.734 2.453 1
1 99 . 8 1 1 A 18 18 CYS C C 18 176.107 175.529 0.578 1
1 101 . 8 1 1 A 19 19 GLY N N 19 113.601 110.392 3.209 1
1 102 . 8 1 1 A 19 19 GLY H H 19 8.268 8.285 -0.017 1
1 103 . 8 1 1 A 19 19 GLY CA C 19 46.294 45.686 0.608 1
1 104 . 8 1 1 A 19 19 GLY HA3 H 19 4.251 4.103 0.148 1
1 105 . 8 1 1 A 19 19 GLY C C 19 173.687 174.423 -0.736 1
1 106 . 8 1 1 A 19 19 GLY HA2 H 19 3.794 4.072 -0.278 1
1 107 . 8 1 1 A 20 20 LYS N N 20 121.922 119.164 2.758 1
1 108 . 8 1 1 A 20 20 LYS H H 20 7.833 8.021 -0.188 1
1 109 . 8 1 1 A 20 20 LYS CA C 20 58.157 55.632 2.525 1
1 110 . 8 1 1 A 20 20 LYS HA H 20 4.133 4.747 -0.614 1
1 111 . 8 1 1 A 20 20 LYS CB C 20 34.348 34.632 -0.284 1
1 119 . 8 1 1 A 20 20 LYS C C 20 174.006 175.305 -1.299 1
1 124 . 8 1 1 A 21 21 PHE N N 21 121.592 122.746 -1.154 1
1 125 . 8 1 1 A 21 21 PHE H H 21 8.197 8.772 -0.575 1
1 126 . 8 1 1 A 21 21 PHE CA C 21 57.064 56.757 0.307 1
1 127 . 8 1 1 A 21 21 PHE HA H 21 5.118 5.582 -0.464 1
1 128 . 8 1 1 A 21 21 PHE CB C 21 42.295 43.236 -0.941 1
1 140 . 8 1 1 A 21 21 PHE C C 21 174.756 173.317 1.439 1
1 142 . 8 1 1 A 22 22 PHE N N 22 122.744 122.704 0.040 1
1 143 . 8 1 1 A 22 22 PHE H H 22 8.535 7.956 0.579 1
1 144 . 8 1 1 A 22 22 PHE CA C 22 56.937 56.127 0.810 1
1 145 . 8 1 1 A 22 22 PHE HA H 22 4.467 4.945 -0.478 1
1 146 . 8 1 1 A 22 22 PHE CB C 22 42.745 44.276 -1.531 1
1 158 . 8 1 1 A 22 22 PHE C C 22 174.570 174.900 -0.330 1
1 160 . 8 1 1 A 23 23 LEU N N 23 124.547 120.528 4.019 1
1 161 . 8 1 1 A 23 23 LEU H H 23 8.632 8.525 0.107 1
1 162 . 8 1 1 A 23 23 LEU CA C 23 57.016 55.595 1.421 1
1 163 . 8 1 1 A 23 23 LEU HA H 23 4.190 4.484 -0.294 1
1 164 . 8 1 1 A 23 23 LEU CB C 23 43.006 44.160 -1.154 1
1 176 . 8 1 1 A 23 23 LEU C C 23 177.399 176.228 1.171 1
1 178 . 8 1 1 A 24 24 GLN N N 24 115.779 118.207 -2.428 1
1 179 . 8 1 1 A 24 24 GLN H H 24 8.246 7.582 0.664 1
1 180 . 8 1 1 A 24 24 GLN CA C 24 54.687 54.907 -0.220 1
1 181 . 8 1 1 A 24 24 GLN HA H 24 4.787 4.609 0.178 1
1 182 . 8 1 1 A 24 24 GLN CB C 24 29.974 28.885 1.089 1
1 189 . 8 1 1 A 24 24 GLN C C 24 176.712 176.117 0.595 1
1 192 . 8 1 1 A 25 25 ALA CA C 25 55.575 55.560 0.015 1
1 193 . 8 1 1 A 25 25 ALA HA H 25 3.542 3.503 0.039 1
1 194 . 8 1 1 A 25 25 ALA CB C 25 18.019 18.263 -0.244 1
1 198 . 8 1 1 A 25 25 ALA C C 25 179.282 179.512 -0.230 1
1 199 . 8 1 1 A 26 26 SER N N 26 111.647 112.748 -1.101 1
1 200 . 8 1 1 A 26 26 SER H H 26 8.886 8.439 0.447 1
1 201 . 8 1 1 A 26 26 SER CA C 26 61.362 61.485 -0.123 1
1 202 . 8 1 1 A 26 26 SER HA H 26 4.039 4.173 -0.134 1
1 203 . 8 1 1 A 26 26 SER CB C 26 61.561 62.789 -1.228 1
1 205 . 8 1 1 A 26 26 SER C C 26 177.406 177.343 0.063 1
1 207 . 8 1 1 A 27 27 ASN N N 27 119.503 119.642 -0.139 1
1 208 . 8 1 1 A 27 27 ASN H H 27 7.021 8.288 -1.267 1
1 209 . 8 1 1 A 27 27 ASN CA C 27 55.428 56.429 -1.001 1
1 210 . 8 1 1 A 27 27 ASN HA H 27 4.575 4.406 0.169 1
1 211 . 8 1 1 A 27 27 ASN CB C 27 38.410 37.932 0.478 1
1 216 . 8 1 1 A 27 27 ASN C C 27 177.285 178.110 -0.825 1
1 218 . 8 1 1 A 28 28 PHE N N 28 123.068 122.037 1.031 1
1 219 . 8 1 1 A 28 28 PHE H H 28 7.786 8.238 -0.452 1
1 220 . 8 1 1 A 28 28 PHE CA C 28 60.488 60.224 0.264 1
1 221 . 8 1 1 A 28 28 PHE HA H 28 3.240 3.137 0.103 1
1 222 . 8 1 1 A 28 28 PHE CB C 28 38.809 38.968 -0.159 1
1 234 . 8 1 1 A 28 28 PHE C C 28 175.850 176.928 -1.078 1
1 236 . 8 1 1 A 29 29 ILE N N 29 119.421 119.505 -0.084 1
1 237 . 8 1 1 A 29 29 ILE H H 29 8.501 8.032 0.469 1
1 238 . 8 1 1 A 29 29 ILE CA C 29 64.558 64.284 0.274 1
1 239 . 8 1 1 A 29 29 ILE HA H 29 3.221 3.377 -0.156 1
1 240 . 8 1 1 A 29 29 ILE CB C 29 37.818 37.275 0.543 1
1 252 . 8 1 1 A 29 29 ILE C C 29 178.885 178.796 0.089 1
1 254 . 8 1 1 A 30 30 GLN N N 30 117.482 117.155 0.327 1
1 255 . 8 1 1 A 30 30 GLN H H 30 7.343 7.965 -0.622 1
1 256 . 8 1 1 A 30 30 GLN CA C 30 58.656 57.732 0.924 1
1 257 . 8 1 1 A 30 30 GLN HA H 30 3.885 4.137 -0.252 1
1 258 . 8 1 1 A 30 30 GLN CB C 30 28.460 28.340 0.120 1
1 265 . 8 1 1 A 30 30 GLN C C 30 178.347 177.368 0.979 1
1 268 . 8 1 1 A 31 31 HIS N N 31 119.125 120.461 -1.336 1
1 269 . 8 1 1 A 31 31 HIS H H 31 7.738 7.876 -0.138 1
1 270 . 8 1 1 A 31 31 HIS CA C 31 59.348 58.590 0.758 1
1 271 . 8 1 1 A 31 31 HIS HA H 31 4.052 4.244 -0.192 1
1 272 . 8 1 1 A 31 31 HIS CB C 31 28.129 29.899 -1.770 1
1 278 . 8 1 1 A 31 31 HIS C C 31 176.394 177.050 -0.656 1
1 280 . 8 1 1 A 32 32 ARG N N 32 115.404 118.176 -2.772 1
1 281 . 8 1 1 A 32 32 ARG H H 32 7.920 7.599 0.321 1
1 282 . 8 1 1 A 32 32 ARG CA C 32 58.191 58.135 0.056 1
1 283 . 8 1 1 A 32 32 ARG HA H 32 3.510 4.057 -0.547 1
1 284 . 8 1 1 A 32 32 ARG CB C 32 28.088 29.608 -1.520 1
1 290 . 8 1 1 A 32 32 ARG C C 32 177.828 177.835 -0.007 1
1 294 . 8 1 1 A 33 33 ARG N N 33 116.284 117.939 -1.655 1
1 295 . 8 1 1 A 33 33 ARG H H 33 7.025 7.731 -0.706 1
1 296 . 8 1 1 A 33 33 ARG CA C 33 58.538 58.758 -0.220 1
1 297 . 8 1 1 A 33 33 ARG HA H 33 4.094 3.985 0.109 1
1 298 . 8 1 1 A 33 33 ARG CB C 33 29.994 30.285 -0.291 1
1 304 . 8 1 1 A 33 33 ARG C C 33 178.632 178.802 -0.170 1
1 308 . 8 1 1 A 34 34 ILE N N 34 116.774 116.853 -0.079 1
1 309 . 8 1 1 A 34 34 ILE H H 34 7.715 7.608 0.107 1
1 310 . 8 1 1 A 34 34 ILE CA C 34 63.294 64.084 -0.790 1
1 311 . 8 1 1 A 34 34 ILE HA H 34 3.886 3.752 0.134 1
1 312 . 8 1 1 A 34 34 ILE CB C 34 37.481 37.258 0.223 1
1 324 . 8 1 1 A 34 34 ILE C C 34 177.422 177.494 -0.072 1
1 326 . 8 1 1 A 35 35 HIS N N 35 117.061 121.029 -3.968 1
1 327 . 8 1 1 A 35 35 HIS H H 35 7.143 7.505 -0.362 1
1 328 . 8 1 1 A 35 35 HIS CA C 35 55.554 59.961 -4.407 1
1 329 . 8 1 1 A 35 35 HIS HA H 35 4.798 4.200 0.598 1
1 330 . 8 1 1 A 35 35 HIS CB C 35 28.994 30.705 -1.711 1
1 336 . 8 1 1 A 35 35 HIS C C 35 176.009 177.985 -1.976 1
1 338 . 8 1 1 A 36 36 THR N N 36 110.946 113.491 -2.545 1
1 339 . 8 1 1 A 36 36 THR H H 36 7.834 8.677 -0.843 1
1 340 . 8 1 1 A 36 36 THR CA C 36 62.550 65.322 -2.772 1
1 341 . 8 1 1 A 36 36 THR HA H 36 4.312 3.954 0.358 1
1 342 . 8 1 1 A 36 36 THR CB C 36 69.804 67.942 1.862 1
1 348 . 8 1 1 A 36 36 THR C C 36 175.635 176.926 -1.291 1
1 349 . 8 1 1 A 37 37 GLY N N 37 110.649 110.618 0.031 1
1 350 . 8 1 1 A 37 37 GLY H H 37 8.196 7.997 0.199 1
1 351 . 8 1 1 A 37 37 GLY CA C 37 45.414 46.919 -1.505 1
1 352 . 8 1 1 A 37 37 GLY HA3 H 37 3.920 3.755 0.165 1
1 353 . 8 1 1 A 37 37 GLY C C 37 174.050 173.922 0.128 1
1 354 . 8 1 1 A 37 37 GLY HA2 H 37 4.016 3.743 0.273 1
1 355 . 8 1 1 A 38 38 GLU N N 38 120.504 119.907 0.597 1
1 356 . 8 1 1 A 38 38 GLU H H 38 8.039 7.614 0.425 1
1 357 . 8 1 1 A 38 38 GLU CA C 38 56.537 54.718 1.819 1
1 358 . 8 1 1 A 38 38 GLU HA H 38 4.215 4.825 -0.610 1
1 359 . 8 1 1 A 38 38 GLU CB C 38 30.588 32.924 -2.336 1
1 363 . 8 1 1 A 38 38 GLU C C 38 176.107 174.464 1.643 1
1 366 . 8 1 1 A 39 39 LYS N N 39 123.777 124.775 -0.998 1
1 367 . 8 1 1 A 39 39 LYS H H 39 8.401 8.551 -0.150 1
1 368 . 8 1 1 A 39 39 LYS CA C 39 54.099 52.675 1.424 1
1 369 . 8 1 1 A 39 39 LYS HA H 39 4.599 4.777 -0.178 1
1 370 . 8 1 1 A 39 39 LYS CB C 39 32.530 34.551 -2.021 1
1 378 . 8 1 1 A 39 39 LYS C C 39 174.452 174.026 0.426 1
1 383 . 8 1 1 A 40 40 PRO CA C 40 63.195 62.394 0.801 1
1 384 . 8 1 1 A 40 40 PRO HA H 40 4.445 4.640 -0.195 1
1 385 . 8 1 1 A 40 40 PRO CB C 40 32.187 32.752 -0.565 1
1 391 . 8 1 1 A 40 40 PRO C C 40 176.911 176.249 0.662 1
1 395 . 8 1 1 A 41 41 SER N N 41 116.485 115.590 0.895 1
1 396 . 8 1 1 A 41 41 SER H H 41 8.449 8.416 0.033 1
1 397 . 8 1 1 A 41 41 SER CA C 41 58.467 56.932 1.535 1
1 398 . 8 1 1 A 41 41 SER HA H 41 4.468 5.240 -0.772 1
1 399 . 8 1 1 A 41 41 SER CB C 41 63.909 64.885 -0.976 1
1 401 . 8 1 1 A 41 41 SER C C 41 174.617 174.354 0.263 1
1 403 . 8 1 1 A 42 42 GLY N N 42 110.609 111.356 -0.747 1
1 404 . 8 1 1 A 42 42 GLY H H 42 8.216 8.374 -0.158 1
1 405 . 8 1 1 A 42 42 GLY CA C 42 44.673 45.569 -0.896 1
1 406 . 8 1 1 A 42 42 GLY HA3 H 42 4.114 3.999 0.115 1
1 407 . 8 1 1 A 42 42 GLY C C 42 171.713 174.496 -2.783 1
1 408 . 8 1 1 A 42 42 GLY HA2 H 42 4.158 3.996 0.162 1
1 409 . 8 1 1 A 43 43 PRO CA C 43 63.260 63.475 -0.215 1
1 410 . 8 1 1 A 43 43 PRO HA H 43 4.484 4.370 0.114 1
1 411 . 8 1 1 A 43 43 PRO CB C 43 32.216 31.553 0.663 1
1 417 . 8 1 1 A 43 43 PRO C C 43 177.352 177.303 0.049 1
1 421 . 8 1 1 A 44 44 SER N N 44 116.409 118.796 -2.387 1
1 422 . 8 1 1 A 44 44 SER H H 44 8.511 8.766 -0.255 1
1 423 . 8 1 1 A 44 44 SER CA C 44 58.392 58.945 -0.553 1
1 424 . 8 1 1 A 44 44 SER HA H 44 4.466 4.220 0.246 1
1 425 . 8 1 1 A 44 44 SER CB C 44 63.748 61.232 2.516 1
1 427 . 8 1 1 A 44 44 SER C C 44 174.615 173.819 0.796 1
1 429 . 8 1 1 A 45 45 SER N N 45 117.817 117.373 0.444 1
1 430 . 8 1 1 A 45 45 SER H H 45 8.303 7.798 0.505 1
1 431 . 8 1 1 A 45 45 SER CA C 45 58.381 56.639 1.742 1
1 432 . 8 1 1 A 45 45 SER HA H 45 4.452 5.010 -0.558 1
1 433 . 8 1 1 A 45 45 SER CB C 45 64.070 66.044 -1.974 1
1 435 . 8 1 1 A 45 45 SER C C 45 173.885 174.868 -0.983 1
1 1 . 9 1 1 A 8 8 HIS CA C 8 56.329 53.908 2.421 1
1 2 . 9 1 1 A 8 8 HIS HA H 8 4.628 5.111 -0.483 1
1 3 . 9 1 1 A 8 8 HIS CB C 8 30.709 31.811 -1.102 1
1 10 . 9 1 1 A 9 9 GLY CA C 9 45.330 45.246 0.084 1
1 11 . 9 1 1 A 9 9 GLY HA3 H 9 3.909 4.102 -0.193 1
1 12 . 9 1 1 A 9 9 GLY C C 9 174.145 174.108 0.037 1
1 13 . 9 1 1 A 9 9 GLY HA2 H 9 3.909 4.062 -0.153 1
1 14 . 9 1 1 A 10 10 GLU N N 10 120.846 123.213 -2.367 1
1 15 . 9 1 1 A 10 10 GLU H H 10 8.353 8.736 -0.383 1
1 16 . 9 1 1 A 10 10 GLU CA C 10 56.524 57.168 -0.644 1
1 17 . 9 1 1 A 10 10 GLU HA H 10 4.225 3.934 0.291 1
1 18 . 9 1 1 A 10 10 GLU CB C 10 30.384 27.396 2.988 1
1 22 . 9 1 1 A 10 10 GLU C C 10 176.348 176.138 0.210 1
1 25 . 9 1 1 A 11 11 ARG N N 11 121.539 122.291 -0.752 1
1 26 . 9 1 1 A 11 11 ARG H H 11 8.281 7.877 0.404 1
1 27 . 9 1 1 A 11 11 ARG CA C 11 56.005 57.270 -1.265 1
1 28 . 9 1 1 A 11 11 ARG HA H 11 4.316 4.297 0.019 1
1 29 . 9 1 1 A 11 11 ARG CB C 11 31.130 31.013 0.117 1
1 35 . 9 1 1 A 11 11 ARG C C 11 176.001 176.193 -0.192 1
1 39 . 9 1 1 A 12 12 GLY N N 12 107.819 115.846 -8.027 1
1 40 . 9 1 1 A 12 12 GLY H H 12 8.075 8.837 -0.762 1
1 41 . 9 1 1 A 12 12 GLY CA C 12 44.814 45.181 -0.367 1
1 42 . 9 1 1 A 12 12 GLY HA3 H 12 4.014 3.793 0.221 1
1 43 . 9 1 1 A 12 12 GLY C C 12 172.193 172.465 -0.272 1
1 44 . 9 1 1 A 12 12 GLY HA2 H 12 3.651 3.569 0.082 1
1 45 . 9 1 1 A 13 13 HIS N N 13 119.279 118.558 0.721 1
1 46 . 9 1 1 A 13 13 HIS H H 13 8.024 7.937 0.087 1
1 47 . 9 1 1 A 13 13 HIS CA C 13 55.118 53.954 1.164 1
1 48 . 9 1 1 A 13 13 HIS HA H 13 4.235 4.689 -0.454 1
1 49 . 9 1 1 A 13 13 HIS CB C 13 31.866 30.854 1.012 1
1 55 . 9 1 1 A 13 13 HIS C C 13 173.211 173.294 -0.083 1
1 57 . 9 1 1 A 14 14 ARG N N 14 124.116 125.329 -1.213 1
1 58 . 9 1 1 A 14 14 ARG H H 14 8.606 8.734 -0.128 1
1 59 . 9 1 1 A 14 14 ARG CA C 14 54.263 54.893 -0.630 1
1 60 . 9 1 1 A 14 14 ARG HA H 14 4.820 5.208 -0.388 1
1 61 . 9 1 1 A 14 14 ARG CB C 14 32.523 32.110 0.413 1
1 67 . 9 1 1 A 14 14 ARG C C 14 175.690 176.675 -0.985 1
1 71 . 9 1 1 A 15 15 CYS N N 15 128.999 125.439 3.560 1
1 72 . 9 1 1 A 15 15 CYS H H 15 9.354 9.263 0.091 1
1 73 . 9 1 1 A 15 15 CYS CA C 15 59.902 59.498 0.404 1
1 74 . 9 1 1 A 15 15 CYS HA H 15 4.843 4.932 -0.089 1
1 75 . 9 1 1 A 15 15 CYS CB C 15 30.080 28.988 1.092 1
1 77 . 9 1 1 A 15 15 CYS C C 15 177.294 174.941 2.353 1
1 79 . 9 1 1 A 16 16 SER CA C 16 61.138 60.408 0.730 1
1 80 . 9 1 1 A 16 16 SER HA H 16 4.245 4.654 -0.409 1
1 81 . 9 1 1 A 16 16 SER CB C 16 63.060 64.183 -1.123 1
1 83 . 9 1 1 A 16 16 SER C C 16 174.763 174.989 -0.226 1
1 85 . 9 1 1 A 17 17 ASP N N 17 121.918 121.560 0.358 1
1 86 . 9 1 1 A 17 17 ASP H H 17 8.415 8.102 0.313 1
1 87 . 9 1 1 A 17 17 ASP CA C 17 57.173 57.578 -0.405 1
1 88 . 9 1 1 A 17 17 ASP HA H 17 4.602 4.255 0.347 1
1 89 . 9 1 1 A 17 17 ASP CB C 17 41.250 41.046 0.204 1
1 91 . 9 1 1 A 17 17 ASP C C 17 176.420 177.533 -1.113 1
1 93 . 9 1 1 A 18 18 CYS N N 18 114.553 114.502 0.051 1
1 94 . 9 1 1 A 18 18 CYS H H 18 7.796 7.959 -0.163 1
1 95 . 9 1 1 A 18 18 CYS CA C 18 58.608 59.662 -1.054 1
1 96 . 9 1 1 A 18 18 CYS HA H 18 5.206 4.693 0.513 1
1 97 . 9 1 1 A 18 18 CYS CB C 18 32.187 29.826 2.361 1
1 99 . 9 1 1 A 18 18 CYS C C 18 176.107 175.568 0.539 1
1 101 . 9 1 1 A 19 19 GLY N N 19 113.601 110.534 3.067 1
1 102 . 9 1 1 A 19 19 GLY H H 19 8.268 8.372 -0.104 1
1 103 . 9 1 1 A 19 19 GLY CA C 19 46.294 45.521 0.773 1
1 104 . 9 1 1 A 19 19 GLY HA3 H 19 4.251 4.130 0.121 1
1 105 . 9 1 1 A 19 19 GLY C C 19 173.687 174.823 -1.136 1
1 106 . 9 1 1 A 19 19 GLY HA2 H 19 3.794 4.102 -0.308 1
1 107 . 9 1 1 A 20 20 LYS N N 20 121.922 120.091 1.831 1
1 108 . 9 1 1 A 20 20 LYS H H 20 7.833 7.548 0.285 1
1 109 . 9 1 1 A 20 20 LYS CA C 20 58.157 56.482 1.675 1
1 110 . 9 1 1 A 20 20 LYS HA H 20 4.133 4.599 -0.466 1
1 111 . 9 1 1 A 20 20 LYS CB C 20 34.348 34.426 -0.078 1
1 119 . 9 1 1 A 20 20 LYS C C 20 174.006 175.512 -1.506 1
1 124 . 9 1 1 A 21 21 PHE N N 21 121.592 122.623 -1.031 1
1 125 . 9 1 1 A 21 21 PHE H H 21 8.197 8.788 -0.591 1
1 126 . 9 1 1 A 21 21 PHE CA C 21 57.064 56.976 0.088 1
1 127 . 9 1 1 A 21 21 PHE HA H 21 5.118 5.515 -0.397 1
1 128 . 9 1 1 A 21 21 PHE CB C 21 42.295 43.202 -0.907 1
1 140 . 9 1 1 A 21 21 PHE C C 21 174.756 173.173 1.583 1
1 142 . 9 1 1 A 22 22 PHE N N 22 122.744 122.663 0.081 1
1 143 . 9 1 1 A 22 22 PHE H H 22 8.535 7.957 0.578 1
1 144 . 9 1 1 A 22 22 PHE CA C 22 56.937 56.038 0.899 1
1 145 . 9 1 1 A 22 22 PHE HA H 22 4.467 4.954 -0.487 1
1 146 . 9 1 1 A 22 22 PHE CB C 22 42.745 44.314 -1.569 1
1 158 . 9 1 1 A 22 22 PHE C C 22 174.570 174.891 -0.321 1
1 160 . 9 1 1 A 23 23 LEU N N 23 124.547 120.531 4.016 1
1 161 . 9 1 1 A 23 23 LEU H H 23 8.632 8.524 0.108 1
1 162 . 9 1 1 A 23 23 LEU CA C 23 57.016 55.598 1.418 1
1 163 . 9 1 1 A 23 23 LEU HA H 23 4.190 4.473 -0.283 1
1 164 . 9 1 1 A 23 23 LEU CB C 23 43.006 44.140 -1.134 1
1 176 . 9 1 1 A 23 23 LEU C C 23 177.399 176.292 1.107 1
1 178 . 9 1 1 A 24 24 GLN N N 24 115.779 118.288 -2.509 1
1 179 . 9 1 1 A 24 24 GLN H H 24 8.246 7.605 0.641 1
1 180 . 9 1 1 A 24 24 GLN CA C 24 54.687 54.996 -0.309 1
1 181 . 9 1 1 A 24 24 GLN HA H 24 4.787 4.598 0.189 1
1 182 . 9 1 1 A 24 24 GLN CB C 24 29.974 29.406 0.568 1
1 189 . 9 1 1 A 24 24 GLN C C 24 176.712 176.067 0.645 1
1 192 . 9 1 1 A 25 25 ALA CA C 25 55.575 55.494 0.081 1
1 193 . 9 1 1 A 25 25 ALA HA H 25 3.542 3.271 0.271 1
1 194 . 9 1 1 A 25 25 ALA CB C 25 18.019 18.188 -0.169 1
1 198 . 9 1 1 A 25 25 ALA C C 25 179.282 179.412 -0.130 1
1 199 . 9 1 1 A 26 26 SER N N 26 111.647 113.189 -1.542 1
1 200 . 9 1 1 A 26 26 SER H H 26 8.886 8.232 0.654 1
1 201 . 9 1 1 A 26 26 SER CA C 26 61.362 62.191 -0.829 1
1 202 . 9 1 1 A 26 26 SER HA H 26 4.039 4.067 -0.028 1
1 203 . 9 1 1 A 26 26 SER CB C 26 61.561 62.675 -1.114 1
1 205 . 9 1 1 A 26 26 SER C C 26 177.406 176.662 0.744 1
1 207 . 9 1 1 A 27 27 ASN N N 27 119.503 120.250 -0.747 1
1 208 . 9 1 1 A 27 27 ASN H H 27 7.021 8.362 -1.341 1
1 209 . 9 1 1 A 27 27 ASN CA C 27 55.428 56.417 -0.989 1
1 210 . 9 1 1 A 27 27 ASN HA H 27 4.575 4.412 0.163 1
1 211 . 9 1 1 A 27 27 ASN CB C 27 38.410 38.207 0.203 1
1 216 . 9 1 1 A 27 27 ASN C C 27 177.285 178.138 -0.853 1
1 218 . 9 1 1 A 28 28 PHE N N 28 123.068 121.995 1.073 1
1 219 . 9 1 1 A 28 28 PHE H H 28 7.786 8.032 -0.246 1
1 220 . 9 1 1 A 28 28 PHE CA C 28 60.488 60.219 0.269 1
1 221 . 9 1 1 A 28 28 PHE HA H 28 3.240 3.058 0.182 1
1 222 . 9 1 1 A 28 28 PHE CB C 28 38.809 38.962 -0.153 1
1 234 . 9 1 1 A 28 28 PHE C C 28 175.850 176.876 -1.026 1
1 236 . 9 1 1 A 29 29 ILE N N 29 119.421 119.425 -0.004 1
1 237 . 9 1 1 A 29 29 ILE H H 29 8.501 7.925 0.576 1
1 238 . 9 1 1 A 29 29 ILE CA C 29 64.558 64.450 0.108 1
1 239 . 9 1 1 A 29 29 ILE HA H 29 3.221 3.427 -0.206 1
1 240 . 9 1 1 A 29 29 ILE CB C 29 37.818 37.472 0.346 1
1 252 . 9 1 1 A 29 29 ILE C C 29 178.885 178.752 0.133 1
1 254 . 9 1 1 A 30 30 GLN N N 30 117.482 117.172 0.310 1
1 255 . 9 1 1 A 30 30 GLN H H 30 7.343 7.992 -0.649 1
1 256 . 9 1 1 A 30 30 GLN CA C 30 58.656 57.696 0.960 1
1 257 . 9 1 1 A 30 30 GLN HA H 30 3.885 4.154 -0.269 1
1 258 . 9 1 1 A 30 30 GLN CB C 30 28.460 28.360 0.100 1
1 265 . 9 1 1 A 30 30 GLN C C 30 178.347 177.409 0.938 1
1 268 . 9 1 1 A 31 31 HIS N N 31 119.125 120.556 -1.431 1
1 269 . 9 1 1 A 31 31 HIS H H 31 7.738 7.890 -0.152 1
1 270 . 9 1 1 A 31 31 HIS CA C 31 59.348 58.627 0.721 1
1 271 . 9 1 1 A 31 31 HIS HA H 31 4.052 4.298 -0.246 1
1 272 . 9 1 1 A 31 31 HIS CB C 31 28.129 30.022 -1.893 1
1 278 . 9 1 1 A 31 31 HIS C C 31 176.394 177.137 -0.743 1
1 280 . 9 1 1 A 32 32 ARG N N 32 115.404 118.255 -2.851 1
1 281 . 9 1 1 A 32 32 ARG H H 32 7.920 7.577 0.343 1
1 282 . 9 1 1 A 32 32 ARG CA C 32 58.191 58.284 -0.093 1
1 283 . 9 1 1 A 32 32 ARG HA H 32 3.510 4.062 -0.552 1
1 284 . 9 1 1 A 32 32 ARG CB C 32 28.088 29.599 -1.511 1
1 290 . 9 1 1 A 32 32 ARG C C 32 177.828 178.077 -0.249 1
1 294 . 9 1 1 A 33 33 ARG N N 33 116.284 118.025 -1.741 1
1 295 . 9 1 1 A 33 33 ARG H H 33 7.025 7.782 -0.757 1
1 296 . 9 1 1 A 33 33 ARG CA C 33 58.538 58.926 -0.388 1
1 297 . 9 1 1 A 33 33 ARG HA H 33 4.094 4.004 0.090 1
1 298 . 9 1 1 A 33 33 ARG CB C 33 29.994 30.407 -0.413 1
1 304 . 9 1 1 A 33 33 ARG C C 33 178.632 178.916 -0.284 1
1 308 . 9 1 1 A 34 34 ILE N N 34 116.774 117.027 -0.253 1
1 309 . 9 1 1 A 34 34 ILE H H 34 7.715 7.747 -0.032 1
1 310 . 9 1 1 A 34 34 ILE CA C 34 63.294 64.338 -1.044 1
1 311 . 9 1 1 A 34 34 ILE HA H 34 3.886 3.774 0.112 1
1 312 . 9 1 1 A 34 34 ILE CB C 34 37.481 37.289 0.192 1
1 324 . 9 1 1 A 34 34 ILE C C 34 177.422 177.667 -0.245 1
1 326 . 9 1 1 A 35 35 HIS N N 35 117.061 119.824 -2.763 1
1 327 . 9 1 1 A 35 35 HIS H H 35 7.143 7.664 -0.521 1
1 328 . 9 1 1 A 35 35 HIS CA C 35 55.554 60.075 -4.521 1
1 329 . 9 1 1 A 35 35 HIS HA H 35 4.798 4.237 0.561 1
1 330 . 9 1 1 A 35 35 HIS CB C 35 28.994 30.138 -1.144 1
1 336 . 9 1 1 A 35 35 HIS C C 35 176.009 175.654 0.355 1
1 338 . 9 1 1 A 36 36 THR N N 36 110.946 111.689 -0.743 1
1 339 . 9 1 1 A 36 36 THR H H 36 7.834 7.912 -0.078 1
1 340 . 9 1 1 A 36 36 THR CA C 36 62.550 62.868 -0.318 1
1 341 . 9 1 1 A 36 36 THR HA H 36 4.312 4.165 0.147 1
1 342 . 9 1 1 A 36 36 THR CB C 36 69.804 69.127 0.677 1
1 348 . 9 1 1 A 36 36 THR C C 36 175.635 174.952 0.683 1
1 349 . 9 1 1 A 37 37 GLY N N 37 110.649 112.087 -1.438 1
1 350 . 9 1 1 A 37 37 GLY H H 37 8.196 8.525 -0.329 1
1 351 . 9 1 1 A 37 37 GLY CA C 37 45.414 44.648 0.766 1
1 352 . 9 1 1 A 37 37 GLY HA3 H 37 3.920 4.282 -0.362 1
1 353 . 9 1 1 A 37 37 GLY C C 37 174.050 173.252 0.798 1
1 354 . 9 1 1 A 37 37 GLY HA2 H 37 4.016 4.277 -0.261 1
1 355 . 9 1 1 A 38 38 GLU N N 38 120.504 118.086 2.418 1
1 356 . 9 1 1 A 38 38 GLU H H 38 8.039 8.803 -0.764 1
1 357 . 9 1 1 A 38 38 GLU CA C 38 56.537 57.363 -0.826 1
1 358 . 9 1 1 A 38 38 GLU HA H 38 4.215 3.799 0.416 1
1 359 . 9 1 1 A 38 38 GLU CB C 38 30.588 28.021 2.567 1
1 363 . 9 1 1 A 38 38 GLU C C 38 176.107 174.994 1.113 1
1 366 . 9 1 1 A 39 39 LYS N N 39 123.777 115.039 8.738 1
1 367 . 9 1 1 A 39 39 LYS H H 39 8.401 7.595 0.806 1
1 368 . 9 1 1 A 39 39 LYS CA C 39 54.099 53.584 0.515 1
1 369 . 9 1 1 A 39 39 LYS HA H 39 4.599 4.979 -0.380 1
1 370 . 9 1 1 A 39 39 LYS CB C 39 32.530 35.082 -2.552 1
1 378 . 9 1 1 A 39 39 LYS C C 39 174.452 174.047 0.405 1
1 383 . 9 1 1 A 40 40 PRO CA C 40 63.195 62.938 0.257 1
1 384 . 9 1 1 A 40 40 PRO HA H 40 4.445 4.739 -0.294 1
1 385 . 9 1 1 A 40 40 PRO CB C 40 32.187 32.131 0.056 1
1 391 . 9 1 1 A 40 40 PRO C C 40 176.911 177.167 -0.256 1
1 395 . 9 1 1 A 41 41 SER N N 41 116.485 118.208 -1.723 1
1 396 . 9 1 1 A 41 41 SER H H 41 8.449 8.622 -0.173 1
1 397 . 9 1 1 A 41 41 SER CA C 41 58.467 58.211 0.256 1
1 398 . 9 1 1 A 41 41 SER HA H 41 4.468 4.594 -0.126 1
1 399 . 9 1 1 A 41 41 SER CB C 41 63.909 61.738 2.171 1
1 401 . 9 1 1 A 41 41 SER C C 41 174.617 175.124 -0.507 1
1 403 . 9 1 1 A 42 42 GLY N N 42 110.609 109.673 0.936 1
1 404 . 9 1 1 A 42 42 GLY H H 42 8.216 7.919 0.297 1
1 405 . 9 1 1 A 42 42 GLY CA C 42 44.673 46.135 -1.462 1
1 406 . 9 1 1 A 42 42 GLY HA3 H 42 4.114 4.031 0.083 1
1 407 . 9 1 1 A 42 42 GLY C C 42 171.713 174.019 -2.306 1
1 408 . 9 1 1 A 42 42 GLY HA2 H 42 4.158 4.030 0.128 1
1 409 . 9 1 1 A 43 43 PRO CA C 43 63.260 62.690 0.570 1
1 410 . 9 1 1 A 43 43 PRO HA H 43 4.484 4.716 -0.232 1
1 411 . 9 1 1 A 43 43 PRO CB C 43 32.216 31.854 0.362 1
1 417 . 9 1 1 A 43 43 PRO C C 43 177.352 175.790 1.562 1
1 421 . 9 1 1 A 44 44 SER N N 44 116.409 118.401 -1.992 1
1 422 . 9 1 1 A 44 44 SER H H 44 8.511 8.636 -0.125 1
1 423 . 9 1 1 A 44 44 SER CA C 44 58.392 56.966 1.426 1
1 424 . 9 1 1 A 44 44 SER HA H 44 4.466 4.764 -0.298 1
1 425 . 9 1 1 A 44 44 SER CB C 44 63.748 64.162 -0.414 1
1 427 . 9 1 1 A 44 44 SER C C 44 174.615 174.640 -0.025 1
1 429 . 9 1 1 A 45 45 SER N N 45 117.817 120.057 -2.240 1
1 430 . 9 1 1 A 45 45 SER H H 45 8.303 8.157 0.146 1
1 431 . 9 1 1 A 45 45 SER CA C 45 58.381 62.525 -4.144 1
1 432 . 9 1 1 A 45 45 SER HA H 45 4.452 4.151 0.301 1
1 433 . 9 1 1 A 45 45 SER CB C 45 64.070 62.932 1.138 1
1 435 . 9 1 1 A 45 45 SER C C 45 173.885 175.063 -1.178 1
1 1 . 10 1 1 A 8 8 HIS CA C 8 56.329 55.717 0.612 1
1 2 . 10 1 1 A 8 8 HIS HA H 8 4.628 4.675 -0.047 1
1 3 . 10 1 1 A 8 8 HIS CB C 8 30.709 29.414 1.295 1
1 10 . 10 1 1 A 9 9 GLY CA C 9 45.330 47.184 -1.854 1
1 11 . 10 1 1 A 9 9 GLY HA3 H 9 3.909 3.755 0.154 1
1 12 . 10 1 1 A 9 9 GLY C C 9 174.145 173.445 0.700 1
1 13 . 10 1 1 A 9 9 GLY HA2 H 9 3.909 3.752 0.157 1
1 14 . 10 1 1 A 10 10 GLU N N 10 120.846 123.420 -2.574 1
1 15 . 10 1 1 A 10 10 GLU H H 10 8.353 8.493 -0.140 1
1 16 . 10 1 1 A 10 10 GLU CA C 10 56.524 55.786 0.738 1
1 17 . 10 1 1 A 10 10 GLU HA H 10 4.225 5.111 -0.886 1
1 18 . 10 1 1 A 10 10 GLU CB C 10 30.384 33.360 -2.976 1
1 22 . 10 1 1 A 10 10 GLU C C 10 176.348 174.297 2.051 1
1 25 . 10 1 1 A 11 11 ARG N N 11 121.539 126.733 -5.194 1
1 26 . 10 1 1 A 11 11 ARG H H 11 8.281 8.774 -0.493 1
1 27 . 10 1 1 A 11 11 ARG CA C 11 56.005 55.900 0.105 1
1 28 . 10 1 1 A 11 11 ARG HA H 11 4.316 4.553 -0.237 1
1 29 . 10 1 1 A 11 11 ARG CB C 11 31.130 33.007 -1.877 1
1 35 . 10 1 1 A 11 11 ARG C C 11 176.001 175.508 0.493 1
1 39 . 10 1 1 A 12 12 GLY N N 12 107.819 114.034 -6.215 1
1 40 . 10 1 1 A 12 12 GLY H H 12 8.075 8.586 -0.511 1
1 41 . 10 1 1 A 12 12 GLY CA C 12 44.814 44.611 0.203 1
1 42 . 10 1 1 A 12 12 GLY HA3 H 12 4.014 3.782 0.232 1
1 43 . 10 1 1 A 12 12 GLY C C 12 172.193 172.259 -0.066 1
1 44 . 10 1 1 A 12 12 GLY HA2 H 12 3.651 3.611 0.040 1
1 45 . 10 1 1 A 13 13 HIS N N 13 119.279 118.525 0.754 1
1 46 . 10 1 1 A 13 13 HIS H H 13 8.024 7.626 0.398 1
1 47 . 10 1 1 A 13 13 HIS CA C 13 55.118 54.220 0.898 1
1 48 . 10 1 1 A 13 13 HIS HA H 13 4.235 4.774 -0.539 1
1 49 . 10 1 1 A 13 13 HIS CB C 13 31.866 30.945 0.921 1
1 55 . 10 1 1 A 13 13 HIS C C 13 173.211 173.378 -0.167 1
1 57 . 10 1 1 A 14 14 ARG N N 14 124.116 125.362 -1.246 1
1 58 . 10 1 1 A 14 14 ARG H H 14 8.606 8.886 -0.280 1
1 59 . 10 1 1 A 14 14 ARG CA C 14 54.263 54.888 -0.625 1
1 60 . 10 1 1 A 14 14 ARG HA H 14 4.820 5.415 -0.595 1
1 61 . 10 1 1 A 14 14 ARG CB C 14 32.523 32.192 0.331 1
1 67 . 10 1 1 A 14 14 ARG C C 14 175.690 176.623 -0.933 1
1 71 . 10 1 1 A 15 15 CYS N N 15 128.999 125.362 3.637 1
1 72 . 10 1 1 A 15 15 CYS H H 15 9.354 9.265 0.089 1
1 73 . 10 1 1 A 15 15 CYS CA C 15 59.902 59.518 0.384 1
1 74 . 10 1 1 A 15 15 CYS HA H 15 4.843 4.872 -0.029 1
1 75 . 10 1 1 A 15 15 CYS CB C 15 30.080 29.370 0.710 1
1 77 . 10 1 1 A 15 15 CYS C C 15 177.294 174.934 2.360 1
1 79 . 10 1 1 A 16 16 SER CA C 16 61.138 60.255 0.883 1
1 80 . 10 1 1 A 16 16 SER HA H 16 4.245 4.588 -0.343 1
1 81 . 10 1 1 A 16 16 SER CB C 16 63.060 64.046 -0.986 1
1 83 . 10 1 1 A 16 16 SER C C 16 174.763 175.351 -0.588 1
1 85 . 10 1 1 A 17 17 ASP N N 17 121.918 122.115 -0.197 1
1 86 . 10 1 1 A 17 17 ASP H H 17 8.415 7.667 0.748 1
1 87 . 10 1 1 A 17 17 ASP CA C 17 57.173 57.032 0.141 1
1 88 . 10 1 1 A 17 17 ASP HA H 17 4.602 4.224 0.378 1
1 89 . 10 1 1 A 17 17 ASP CB C 17 41.250 39.742 1.508 1
1 91 . 10 1 1 A 17 17 ASP C C 17 176.420 177.409 -0.989 1
1 93 . 10 1 1 A 18 18 CYS N N 18 114.553 114.425 0.128 1
1 94 . 10 1 1 A 18 18 CYS H H 18 7.796 7.930 -0.134 1
1 95 . 10 1 1 A 18 18 CYS CA C 18 58.608 59.523 -0.915 1
1 96 . 10 1 1 A 18 18 CYS HA H 18 5.206 4.656 0.550 1
1 97 . 10 1 1 A 18 18 CYS CB C 18 32.187 30.047 2.140 1
1 99 . 10 1 1 A 18 18 CYS C C 18 176.107 175.618 0.489 1
1 101 . 10 1 1 A 19 19 GLY N N 19 113.601 110.371 3.230 1
1 102 . 10 1 1 A 19 19 GLY H H 19 8.268 8.260 0.008 1
1 103 . 10 1 1 A 19 19 GLY CA C 19 46.294 45.672 0.622 1
1 104 . 10 1 1 A 19 19 GLY HA3 H 19 4.251 4.107 0.144 1
1 105 . 10 1 1 A 19 19 GLY C C 19 173.687 174.398 -0.711 1
1 106 . 10 1 1 A 19 19 GLY HA2 H 19 3.794 4.075 -0.281 1
1 107 . 10 1 1 A 20 20 LYS N N 20 121.922 119.063 2.859 1
1 108 . 10 1 1 A 20 20 LYS H H 20 7.833 8.001 -0.168 1
1 109 . 10 1 1 A 20 20 LYS CA C 20 58.157 55.416 2.741 1
1 110 . 10 1 1 A 20 20 LYS HA H 20 4.133 4.800 -0.667 1
1 111 . 10 1 1 A 20 20 LYS CB C 20 34.348 34.641 -0.293 1
1 119 . 10 1 1 A 20 20 LYS C C 20 174.006 175.449 -1.443 1
1 124 . 10 1 1 A 21 21 PHE N N 21 121.592 122.663 -1.071 1
1 125 . 10 1 1 A 21 21 PHE H H 21 8.197 8.738 -0.541 1
1 126 . 10 1 1 A 21 21 PHE CA C 21 57.064 56.772 0.292 1
1 127 . 10 1 1 A 21 21 PHE HA H 21 5.118 5.607 -0.489 1
1 128 . 10 1 1 A 21 21 PHE CB C 21 42.295 43.252 -0.957 1
1 140 . 10 1 1 A 21 21 PHE C C 21 174.756 173.287 1.469 1
1 142 . 10 1 1 A 22 22 PHE N N 22 122.744 122.742 0.002 1
1 143 . 10 1 1 A 22 22 PHE H H 22 8.535 8.005 0.530 1
1 144 . 10 1 1 A 22 22 PHE CA C 22 56.937 56.133 0.804 1
1 145 . 10 1 1 A 22 22 PHE HA H 22 4.467 4.966 -0.499 1
1 146 . 10 1 1 A 22 22 PHE CB C 22 42.745 44.325 -1.580 1
1 158 . 10 1 1 A 22 22 PHE C C 22 174.570 174.962 -0.392 1
1 160 . 10 1 1 A 23 23 LEU N N 23 124.547 120.359 4.188 1
1 161 . 10 1 1 A 23 23 LEU H H 23 8.632 8.524 0.108 1
1 162 . 10 1 1 A 23 23 LEU CA C 23 57.016 55.598 1.418 1
1 163 . 10 1 1 A 23 23 LEU HA H 23 4.190 4.477 -0.287 1
1 164 . 10 1 1 A 23 23 LEU CB C 23 43.006 44.190 -1.184 1
1 176 . 10 1 1 A 23 23 LEU C C 23 177.399 176.219 1.180 1
1 178 . 10 1 1 A 24 24 GLN N N 24 115.779 118.242 -2.463 1
1 179 . 10 1 1 A 24 24 GLN H H 24 8.246 7.607 0.639 1
1 180 . 10 1 1 A 24 24 GLN CA C 24 54.687 54.896 -0.209 1
1 181 . 10 1 1 A 24 24 GLN HA H 24 4.787 4.636 0.151 1
1 182 . 10 1 1 A 24 24 GLN CB C 24 29.974 29.025 0.949 1
1 189 . 10 1 1 A 24 24 GLN C C 24 176.712 176.168 0.544 1
1 192 . 10 1 1 A 25 25 ALA CA C 25 55.575 55.545 0.030 1
1 193 . 10 1 1 A 25 25 ALA HA H 25 3.542 3.497 0.045 1
1 194 . 10 1 1 A 25 25 ALA CB C 25 18.019 18.255 -0.236 1
1 198 . 10 1 1 A 25 25 ALA C C 25 179.282 179.511 -0.229 1
1 199 . 10 1 1 A 26 26 SER N N 26 111.647 112.755 -1.108 1
1 200 . 10 1 1 A 26 26 SER H H 26 8.886 8.336 0.550 1
1 201 . 10 1 1 A 26 26 SER CA C 26 61.362 61.470 -0.108 1
1 202 . 10 1 1 A 26 26 SER HA H 26 4.039 4.172 -0.133 1
1 203 . 10 1 1 A 26 26 SER CB C 26 61.561 62.613 -1.052 1
1 205 . 10 1 1 A 26 26 SER C C 26 177.406 177.176 0.230 1
1 207 . 10 1 1 A 27 27 ASN N N 27 119.503 119.931 -0.428 1
1 208 . 10 1 1 A 27 27 ASN H H 27 7.021 8.353 -1.332 1
1 209 . 10 1 1 A 27 27 ASN CA C 27 55.428 56.435 -1.007 1
1 210 . 10 1 1 A 27 27 ASN HA H 27 4.575 4.430 0.145 1
1 211 . 10 1 1 A 27 27 ASN CB C 27 38.410 38.225 0.185 1
1 216 . 10 1 1 A 27 27 ASN C C 27 177.285 178.192 -0.907 1
1 218 . 10 1 1 A 28 28 PHE N N 28 123.068 121.812 1.256 1
1 219 . 10 1 1 A 28 28 PHE H H 28 7.786 8.148 -0.362 1
1 220 . 10 1 1 A 28 28 PHE CA C 28 60.488 60.205 0.283 1
1 221 . 10 1 1 A 28 28 PHE HA H 28 3.240 3.158 0.082 1
1 222 . 10 1 1 A 28 28 PHE CB C 28 38.809 38.952 -0.143 1
1 234 . 10 1 1 A 28 28 PHE C C 28 175.850 176.917 -1.067 1
1 236 . 10 1 1 A 29 29 ILE N N 29 119.421 119.570 -0.149 1
1 237 . 10 1 1 A 29 29 ILE H H 29 8.501 7.927 0.574 1
1 238 . 10 1 1 A 29 29 ILE CA C 29 64.558 64.417 0.141 1
1 239 . 10 1 1 A 29 29 ILE HA H 29 3.221 3.494 -0.273 1
1 240 . 10 1 1 A 29 29 ILE CB C 29 37.818 37.470 0.348 1
1 252 . 10 1 1 A 29 29 ILE C C 29 178.885 178.814 0.071 1
1 254 . 10 1 1 A 30 30 GLN N N 30 117.482 117.702 -0.220 1
1 255 . 10 1 1 A 30 30 GLN H H 30 7.343 7.955 -0.612 1
1 256 . 10 1 1 A 30 30 GLN CA C 30 58.656 57.699 0.957 1
1 257 . 10 1 1 A 30 30 GLN HA H 30 3.885 4.124 -0.239 1
1 258 . 10 1 1 A 30 30 GLN CB C 30 28.460 28.398 0.062 1
1 265 . 10 1 1 A 30 30 GLN C C 30 178.347 177.260 1.087 1
1 268 . 10 1 1 A 31 31 HIS N N 31 119.125 120.484 -1.359 1
1 269 . 10 1 1 A 31 31 HIS H H 31 7.738 7.899 -0.161 1
1 270 . 10 1 1 A 31 31 HIS CA C 31 59.348 58.562 0.786 1
1 271 . 10 1 1 A 31 31 HIS HA H 31 4.052 4.267 -0.215 1
1 272 . 10 1 1 A 31 31 HIS CB C 31 28.129 30.074 -1.945 1
1 278 . 10 1 1 A 31 31 HIS C C 31 176.394 177.068 -0.674 1
1 280 . 10 1 1 A 32 32 ARG N N 32 115.404 118.230 -2.826 1
1 281 . 10 1 1 A 32 32 ARG H H 32 7.920 7.626 0.294 1
1 282 . 10 1 1 A 32 32 ARG CA C 32 58.191 58.067 0.124 1
1 283 . 10 1 1 A 32 32 ARG HA H 32 3.510 4.038 -0.528 1
1 284 . 10 1 1 A 32 32 ARG CB C 32 28.088 29.709 -1.621 1
1 290 . 10 1 1 A 32 32 ARG C C 32 177.828 177.878 -0.050 1
1 294 . 10 1 1 A 33 33 ARG N N 33 116.284 118.251 -1.967 1
1 295 . 10 1 1 A 33 33 ARG H H 33 7.025 7.854 -0.829 1
1 296 . 10 1 1 A 33 33 ARG CA C 33 58.538 59.061 -0.523 1
1 297 . 10 1 1 A 33 33 ARG HA H 33 4.094 4.032 0.062 1
1 298 . 10 1 1 A 33 33 ARG CB C 33 29.994 30.232 -0.238 1
1 304 . 10 1 1 A 33 33 ARG C C 33 178.632 178.943 -0.311 1
1 308 . 10 1 1 A 34 34 ILE N N 34 116.774 116.936 -0.162 1
1 309 . 10 1 1 A 34 34 ILE H H 34 7.715 7.600 0.115 1
1 310 . 10 1 1 A 34 34 ILE CA C 34 63.294 64.185 -0.891 1
1 311 . 10 1 1 A 34 34 ILE HA H 34 3.886 3.724 0.162 1
1 312 . 10 1 1 A 34 34 ILE CB C 34 37.481 37.208 0.273 1
1 324 . 10 1 1 A 34 34 ILE C C 34 177.422 177.614 -0.192 1
1 326 . 10 1 1 A 35 35 HIS N N 35 117.061 119.963 -2.902 1
1 327 . 10 1 1 A 35 35 HIS H H 35 7.143 7.459 -0.316 1
1 328 . 10 1 1 A 35 35 HIS CA C 35 55.554 58.374 -2.820 1
1 329 . 10 1 1 A 35 35 HIS HA H 35 4.798 4.412 0.386 1
1 330 . 10 1 1 A 35 35 HIS CB C 35 28.994 30.376 -1.382 1
1 336 . 10 1 1 A 35 35 HIS C C 35 176.009 175.346 0.663 1
1 338 . 10 1 1 A 36 36 THR N N 36 110.946 112.740 -1.794 1
1 339 . 10 1 1 A 36 36 THR H H 36 7.834 8.154 -0.320 1
1 340 . 10 1 1 A 36 36 THR CA C 36 62.550 60.225 2.325 1
1 341 . 10 1 1 A 36 36 THR HA H 36 4.312 4.583 -0.271 1
1 342 . 10 1 1 A 36 36 THR CB C 36 69.804 69.451 0.353 1
1 348 . 10 1 1 A 36 36 THR C C 36 175.635 174.619 1.016 1
1 349 . 10 1 1 A 37 37 GLY N N 37 110.649 115.250 -4.601 1
1 350 . 10 1 1 A 37 37 GLY H H 37 8.196 8.773 -0.577 1
1 351 . 10 1 1 A 37 37 GLY CA C 37 45.414 46.970 -1.556 1
1 352 . 10 1 1 A 37 37 GLY HA3 H 37 3.920 3.833 0.087 1
1 353 . 10 1 1 A 37 37 GLY C C 37 174.050 174.130 -0.080 1
1 354 . 10 1 1 A 37 37 GLY HA2 H 37 4.016 3.824 0.192 1
1 355 . 10 1 1 A 38 38 GLU N N 38 120.504 120.494 0.010 1
1 356 . 10 1 1 A 38 38 GLU H H 38 8.039 7.690 0.349 1
1 357 . 10 1 1 A 38 38 GLU CA C 38 56.537 55.798 0.739 1
1 358 . 10 1 1 A 38 38 GLU HA H 38 4.215 4.574 -0.359 1
1 359 . 10 1 1 A 38 38 GLU CB C 38 30.588 31.123 -0.535 1
1 363 . 10 1 1 A 38 38 GLU C C 38 176.107 175.869 0.238 1
1 366 . 10 1 1 A 39 39 LYS N N 39 123.777 125.797 -2.020 1
1 367 . 10 1 1 A 39 39 LYS H H 39 8.401 8.595 -0.194 1
1 368 . 10 1 1 A 39 39 LYS CA C 39 54.099 52.951 1.148 1
1 369 . 10 1 1 A 39 39 LYS HA H 39 4.599 4.841 -0.242 1
1 370 . 10 1 1 A 39 39 LYS CB C 39 32.530 35.614 -3.084 1
1 378 . 10 1 1 A 39 39 LYS C C 39 174.452 173.886 0.566 1
1 383 . 10 1 1 A 40 40 PRO CA C 40 63.195 62.505 0.690 1
1 384 . 10 1 1 A 40 40 PRO HA H 40 4.445 4.547 -0.102 1
1 385 . 10 1 1 A 40 40 PRO CB C 40 32.187 32.867 -0.680 1
1 391 . 10 1 1 A 40 40 PRO C C 40 176.911 177.673 -0.762 1
1 395 . 10 1 1 A 41 41 SER N N 41 116.485 117.149 -0.664 1
1 396 . 10 1 1 A 41 41 SER H H 41 8.449 8.750 -0.301 1
1 397 . 10 1 1 A 41 41 SER CA C 41 58.467 61.789 -3.322 1
1 398 . 10 1 1 A 41 41 SER HA H 41 4.468 4.191 0.277 1
1 399 . 10 1 1 A 41 41 SER CB C 41 63.909 63.088 0.821 1
1 401 . 10 1 1 A 41 41 SER C C 41 174.617 175.520 -0.903 1
1 403 . 10 1 1 A 42 42 GLY N N 42 110.609 104.889 5.720 1
1 404 . 10 1 1 A 42 42 GLY H H 42 8.216 7.396 0.820 1
1 405 . 10 1 1 A 42 42 GLY CA C 42 44.673 45.774 -1.101 1
1 406 . 10 1 1 A 42 42 GLY HA3 H 42 4.114 4.281 -0.167 1
1 407 . 10 1 1 A 42 42 GLY C C 42 171.713 173.162 -1.449 1
1 408 . 10 1 1 A 42 42 GLY HA2 H 42 4.158 4.281 -0.123 1
1 409 . 10 1 1 A 43 43 PRO CA C 43 63.260 64.293 -1.033 1
1 410 . 10 1 1 A 43 43 PRO HA H 43 4.484 4.485 -0.001 1
1 411 . 10 1 1 A 43 43 PRO CB C 43 32.216 32.284 -0.068 1
1 417 . 10 1 1 A 43 43 PRO C C 43 177.352 176.366 0.986 1
1 421 . 10 1 1 A 44 44 SER N N 44 116.409 113.825 2.584 1
1 422 . 10 1 1 A 44 44 SER H H 44 8.511 7.721 0.790 1
1 423 . 10 1 1 A 44 44 SER CA C 44 58.392 57.545 0.847 1
1 424 . 10 1 1 A 44 44 SER HA H 44 4.466 4.855 -0.389 1
1 425 . 10 1 1 A 44 44 SER CB C 44 63.748 66.653 -2.905 1
1 427 . 10 1 1 A 44 44 SER C C 44 174.615 174.364 0.251 1
1 429 . 10 1 1 A 45 45 SER N N 45 117.817 119.214 -1.397 1
1 430 . 10 1 1 A 45 45 SER H H 45 8.303 9.207 -0.904 1
1 431 . 10 1 1 A 45 45 SER CA C 45 58.381 61.235 -2.854 1
1 432 . 10 1 1 A 45 45 SER HA H 45 4.452 4.033 0.419 1
1 433 . 10 1 1 A 45 45 SER CB C 45 64.070 63.143 0.927 1
1 435 . 10 1 1 A 45 45 SER C C 45 173.885 174.904 -1.019 1
1 1 . 11 1 1 A 8 8 HIS CA C 8 56.329 53.958 2.371 1
1 2 . 11 1 1 A 8 8 HIS HA H 8 4.628 5.130 -0.502 1
1 3 . 11 1 1 A 8 8 HIS CB C 8 30.709 30.112 0.597 1
1 10 . 11 1 1 A 9 9 GLY CA C 9 45.330 44.410 0.920 1
1 11 . 11 1 1 A 9 9 GLY HA3 H 9 3.909 4.051 -0.142 1
1 12 . 11 1 1 A 9 9 GLY C C 9 174.145 174.145 0.000 1
1 13 . 11 1 1 A 9 9 GLY HA2 H 9 3.909 4.041 -0.132 1
1 14 . 11 1 1 A 10 10 GLU N N 10 120.846 117.504 3.342 1
1 15 . 11 1 1 A 10 10 GLU H H 10 8.353 8.882 -0.529 1
1 16 . 11 1 1 A 10 10 GLU CA C 10 56.524 57.323 -0.799 1
1 17 . 11 1 1 A 10 10 GLU HA H 10 4.225 3.778 0.447 1
1 18 . 11 1 1 A 10 10 GLU CB C 10 30.384 27.633 2.751 1
1 22 . 11 1 1 A 10 10 GLU C C 10 176.348 176.375 -0.027 1
1 25 . 11 1 1 A 11 11 ARG N N 11 121.539 118.155 3.384 1
1 26 . 11 1 1 A 11 11 ARG H H 11 8.281 8.341 -0.060 1
1 27 . 11 1 1 A 11 11 ARG CA C 11 56.005 55.202 0.803 1
1 28 . 11 1 1 A 11 11 ARG HA H 11 4.316 4.539 -0.223 1
1 29 . 11 1 1 A 11 11 ARG CB C 11 31.130 30.813 0.317 1
1 35 . 11 1 1 A 11 11 ARG C C 11 176.001 175.519 0.482 1
1 39 . 11 1 1 A 12 12 GLY N N 12 107.819 107.438 0.381 1
1 40 . 11 1 1 A 12 12 GLY H H 12 8.075 7.332 0.743 1
1 41 . 11 1 1 A 12 12 GLY CA C 12 44.814 45.374 -0.560 1
1 42 . 11 1 1 A 12 12 GLY HA3 H 12 4.014 3.956 0.058 1
1 43 . 11 1 1 A 12 12 GLY C C 12 172.193 171.233 0.960 1
1 44 . 11 1 1 A 12 12 GLY HA2 H 12 3.651 3.814 -0.163 1
1 45 . 11 1 1 A 13 13 HIS N N 13 119.279 118.443 0.836 1
1 46 . 11 1 1 A 13 13 HIS H H 13 8.024 7.996 0.028 1
1 47 . 11 1 1 A 13 13 HIS CA C 13 55.118 54.076 1.042 1
1 48 . 11 1 1 A 13 13 HIS HA H 13 4.235 4.839 -0.604 1
1 49 . 11 1 1 A 13 13 HIS CB C 13 31.866 31.714 0.152 1
1 55 . 11 1 1 A 13 13 HIS C C 13 173.211 173.248 -0.037 1
1 57 . 11 1 1 A 14 14 ARG N N 14 124.116 125.387 -1.271 1
1 58 . 11 1 1 A 14 14 ARG H H 14 8.606 8.897 -0.291 1
1 59 . 11 1 1 A 14 14 ARG CA C 14 54.263 54.687 -0.424 1
1 60 . 11 1 1 A 14 14 ARG HA H 14 4.820 5.338 -0.518 1
1 61 . 11 1 1 A 14 14 ARG CB C 14 32.523 32.401 0.122 1
1 67 . 11 1 1 A 14 14 ARG C C 14 175.690 176.524 -0.834 1
1 71 . 11 1 1 A 15 15 CYS N N 15 128.999 125.482 3.517 1
1 72 . 11 1 1 A 15 15 CYS H H 15 9.354 9.234 0.120 1
1 73 . 11 1 1 A 15 15 CYS CA C 15 59.902 59.347 0.555 1
1 74 . 11 1 1 A 15 15 CYS HA H 15 4.843 4.948 -0.105 1
1 75 . 11 1 1 A 15 15 CYS CB C 15 30.080 29.141 0.939 1
1 77 . 11 1 1 A 15 15 CYS C C 15 177.294 176.226 1.068 1
1 79 . 11 1 1 A 16 16 SER CA C 16 61.138 59.052 2.086 1
1 80 . 11 1 1 A 16 16 SER HA H 16 4.245 4.535 -0.290 1
1 81 . 11 1 1 A 16 16 SER CB C 16 63.060 64.420 -1.360 1
1 83 . 11 1 1 A 16 16 SER C C 16 174.763 176.036 -1.273 1
1 85 . 11 1 1 A 17 17 ASP N N 17 121.918 121.718 0.200 1
1 86 . 11 1 1 A 17 17 ASP H H 17 8.415 8.112 0.303 1
1 87 . 11 1 1 A 17 17 ASP CA C 17 57.173 57.230 -0.057 1
1 88 . 11 1 1 A 17 17 ASP HA H 17 4.602 4.339 0.263 1
1 89 . 11 1 1 A 17 17 ASP CB C 17 41.250 40.200 1.050 1
1 91 . 11 1 1 A 17 17 ASP C C 17 176.420 177.843 -1.423 1
1 93 . 11 1 1 A 18 18 CYS N N 18 114.553 114.736 -0.183 1
1 94 . 11 1 1 A 18 18 CYS H H 18 7.796 7.956 -0.160 1
1 95 . 11 1 1 A 18 18 CYS CA C 18 58.608 59.807 -1.199 1
1 96 . 11 1 1 A 18 18 CYS HA H 18 5.206 4.699 0.507 1
1 97 . 11 1 1 A 18 18 CYS CB C 18 32.187 29.674 2.513 1
1 99 . 11 1 1 A 18 18 CYS C C 18 176.107 175.457 0.650 1
1 101 . 11 1 1 A 19 19 GLY N N 19 113.601 110.469 3.132 1
1 102 . 11 1 1 A 19 19 GLY H H 19 8.268 8.302 -0.034 1
1 103 . 11 1 1 A 19 19 GLY CA C 19 46.294 45.425 0.869 1
1 104 . 11 1 1 A 19 19 GLY HA3 H 19 4.251 4.142 0.109 1
1 105 . 11 1 1 A 19 19 GLY C C 19 173.687 174.607 -0.920 1
1 106 . 11 1 1 A 19 19 GLY HA2 H 19 3.794 4.113 -0.319 1
1 107 . 11 1 1 A 20 20 LYS N N 20 121.922 119.302 2.620 1
1 108 . 11 1 1 A 20 20 LYS H H 20 7.833 8.039 -0.206 1
1 109 . 11 1 1 A 20 20 LYS CA C 20 58.157 55.994 2.163 1
1 110 . 11 1 1 A 20 20 LYS HA H 20 4.133 4.691 -0.558 1
1 111 . 11 1 1 A 20 20 LYS CB C 20 34.348 34.528 -0.180 1
1 119 . 11 1 1 A 20 20 LYS C C 20 174.006 175.331 -1.325 1
1 124 . 11 1 1 A 21 21 PHE N N 21 121.592 122.607 -1.015 1
1 125 . 11 1 1 A 21 21 PHE H H 21 8.197 8.690 -0.493 1
1 126 . 11 1 1 A 21 21 PHE CA C 21 57.064 56.734 0.330 1
1 127 . 11 1 1 A 21 21 PHE HA H 21 5.118 5.612 -0.494 1
1 128 . 11 1 1 A 21 21 PHE CB C 21 42.295 43.198 -0.903 1
1 140 . 11 1 1 A 21 21 PHE C C 21 174.756 173.267 1.489 1
1 142 . 11 1 1 A 22 22 PHE N N 22 122.744 122.751 -0.007 1
1 143 . 11 1 1 A 22 22 PHE H H 22 8.535 7.700 0.835 1
1 144 . 11 1 1 A 22 22 PHE CA C 22 56.937 56.313 0.624 1
1 145 . 11 1 1 A 22 22 PHE HA H 22 4.467 4.972 -0.505 1
1 146 . 11 1 1 A 22 22 PHE CB C 22 42.745 44.289 -1.544 1
1 158 . 11 1 1 A 22 22 PHE C C 22 174.570 174.894 -0.324 1
1 160 . 11 1 1 A 23 23 LEU N N 23 124.547 120.435 4.112 1
1 161 . 11 1 1 A 23 23 LEU H H 23 8.632 8.462 0.170 1
1 162 . 11 1 1 A 23 23 LEU CA C 23 57.016 55.583 1.433 1
1 163 . 11 1 1 A 23 23 LEU HA H 23 4.190 4.461 -0.271 1
1 164 . 11 1 1 A 23 23 LEU CB C 23 43.006 43.795 -0.789 1
1 176 . 11 1 1 A 23 23 LEU C C 23 177.399 176.312 1.087 1
1 178 . 11 1 1 A 24 24 GLN N N 24 115.779 118.101 -2.322 1
1 179 . 11 1 1 A 24 24 GLN H H 24 8.246 7.626 0.620 1
1 180 . 11 1 1 A 24 24 GLN CA C 24 54.687 55.035 -0.348 1
1 181 . 11 1 1 A 24 24 GLN HA H 24 4.787 4.635 0.152 1
1 182 . 11 1 1 A 24 24 GLN CB C 24 29.974 29.590 0.384 1
1 189 . 11 1 1 A 24 24 GLN C C 24 176.712 176.215 0.497 1
1 192 . 11 1 1 A 25 25 ALA CA C 25 55.575 55.631 -0.056 1
1 193 . 11 1 1 A 25 25 ALA HA H 25 3.542 3.573 -0.031 1
1 194 . 11 1 1 A 25 25 ALA CB C 25 18.019 18.237 -0.218 1
1 198 . 11 1 1 A 25 25 ALA C C 25 179.282 179.341 -0.059 1
1 199 . 11 1 1 A 26 26 SER N N 26 111.647 112.918 -1.271 1
1 200 . 11 1 1 A 26 26 SER H H 26 8.886 8.226 0.660 1
1 201 . 11 1 1 A 26 26 SER CA C 26 61.362 61.563 -0.201 1
1 202 . 11 1 1 A 26 26 SER HA H 26 4.039 4.023 0.016 1
1 203 . 11 1 1 A 26 26 SER CB C 26 61.561 62.933 -1.372 1
1 205 . 11 1 1 A 26 26 SER C C 26 177.406 177.443 -0.037 1
1 207 . 11 1 1 A 27 27 ASN N N 27 119.503 119.266 0.237 1
1 208 . 11 1 1 A 27 27 ASN H H 27 7.021 8.447 -1.426 1
1 209 . 11 1 1 A 27 27 ASN CA C 27 55.428 56.426 -0.998 1
1 210 . 11 1 1 A 27 27 ASN HA H 27 4.575 4.430 0.145 1
1 211 . 11 1 1 A 27 27 ASN CB C 27 38.410 38.184 0.226 1
1 216 . 11 1 1 A 27 27 ASN C C 27 177.285 178.314 -1.029 1
1 218 . 11 1 1 A 28 28 PHE N N 28 123.068 122.039 1.029 1
1 219 . 11 1 1 A 28 28 PHE H H 28 7.786 8.207 -0.421 1
1 220 . 11 1 1 A 28 28 PHE CA C 28 60.488 60.376 0.112 1
1 221 . 11 1 1 A 28 28 PHE HA H 28 3.240 3.075 0.165 1
1 222 . 11 1 1 A 28 28 PHE CB C 28 38.809 38.790 0.019 1
1 234 . 11 1 1 A 28 28 PHE C C 28 175.850 176.829 -0.979 1
1 236 . 11 1 1 A 29 29 ILE N N 29 119.421 119.684 -0.263 1
1 237 . 11 1 1 A 29 29 ILE H H 29 8.501 8.214 0.287 1
1 238 . 11 1 1 A 29 29 ILE CA C 29 64.558 64.643 -0.085 1
1 239 . 11 1 1 A 29 29 ILE HA H 29 3.221 3.472 -0.251 1
1 240 . 11 1 1 A 29 29 ILE CB C 29 37.818 37.352 0.466 1
1 252 . 11 1 1 A 29 29 ILE C C 29 178.885 178.743 0.142 1
1 254 . 11 1 1 A 30 30 GLN N N 30 117.482 117.173 0.309 1
1 255 . 11 1 1 A 30 30 GLN H H 30 7.343 8.099 -0.756 1
1 256 . 11 1 1 A 30 30 GLN CA C 30 58.656 57.708 0.948 1
1 257 . 11 1 1 A 30 30 GLN HA H 30 3.885 4.166 -0.281 1
1 258 . 11 1 1 A 30 30 GLN CB C 30 28.460 28.352 0.108 1
1 265 . 11 1 1 A 30 30 GLN C C 30 178.347 177.287 1.060 1
1 268 . 11 1 1 A 31 31 HIS N N 31 119.125 120.444 -1.319 1
1 269 . 11 1 1 A 31 31 HIS H H 31 7.738 7.891 -0.153 1
1 270 . 11 1 1 A 31 31 HIS CA C 31 59.348 58.612 0.736 1
1 271 . 11 1 1 A 31 31 HIS HA H 31 4.052 4.307 -0.255 1
1 272 . 11 1 1 A 31 31 HIS CB C 31 28.129 30.085 -1.956 1
1 278 . 11 1 1 A 31 31 HIS C C 31 176.394 177.060 -0.666 1
1 280 . 11 1 1 A 32 32 ARG N N 32 115.404 118.354 -2.950 1
1 281 . 11 1 1 A 32 32 ARG H H 32 7.920 7.712 0.208 1
1 282 . 11 1 1 A 32 32 ARG CA C 32 58.191 58.274 -0.083 1
1 283 . 11 1 1 A 32 32 ARG HA H 32 3.510 3.969 -0.459 1
1 284 . 11 1 1 A 32 32 ARG CB C 32 28.088 29.610 -1.522 1
1 290 . 11 1 1 A 32 32 ARG C C 32 177.828 178.255 -0.427 1
1 294 . 11 1 1 A 33 33 ARG N N 33 116.284 117.950 -1.666 1
1 295 . 11 1 1 A 33 33 ARG H H 33 7.025 7.876 -0.851 1
1 296 . 11 1 1 A 33 33 ARG CA C 33 58.538 59.170 -0.632 1
1 297 . 11 1 1 A 33 33 ARG HA H 33 4.094 3.993 0.101 1
1 298 . 11 1 1 A 33 33 ARG CB C 33 29.994 30.378 -0.384 1
1 304 . 11 1 1 A 33 33 ARG C C 33 178.632 178.874 -0.242 1
1 308 . 11 1 1 A 34 34 ILE N N 34 116.774 117.018 -0.244 1
1 309 . 11 1 1 A 34 34 ILE H H 34 7.715 7.758 -0.043 1
1 310 . 11 1 1 A 34 34 ILE CA C 34 63.294 64.347 -1.053 1
1 311 . 11 1 1 A 34 34 ILE HA H 34 3.886 3.791 0.095 1
1 312 . 11 1 1 A 34 34 ILE CB C 34 37.481 37.406 0.075 1
1 324 . 11 1 1 A 34 34 ILE C C 34 177.422 177.638 -0.216 1
1 326 . 11 1 1 A 35 35 HIS N N 35 117.061 119.825 -2.764 1
1 327 . 11 1 1 A 35 35 HIS H H 35 7.143 7.700 -0.557 1
1 328 . 11 1 1 A 35 35 HIS CA C 35 55.554 59.971 -4.417 1
1 329 . 11 1 1 A 35 35 HIS HA H 35 4.798 4.236 0.562 1
1 330 . 11 1 1 A 35 35 HIS CB C 35 28.994 30.091 -1.097 1
1 336 . 11 1 1 A 35 35 HIS C C 35 176.009 175.638 0.371 1
1 338 . 11 1 1 A 36 36 THR N N 36 110.946 111.891 -0.945 1
1 339 . 11 1 1 A 36 36 THR H H 36 7.834 8.135 -0.301 1
1 340 . 11 1 1 A 36 36 THR CA C 36 62.550 62.418 0.132 1
1 341 . 11 1 1 A 36 36 THR HA H 36 4.312 4.132 0.180 1
1 342 . 11 1 1 A 36 36 THR CB C 36 69.804 69.081 0.723 1
1 348 . 11 1 1 A 36 36 THR C C 36 175.635 175.379 0.256 1
1 349 . 11 1 1 A 37 37 GLY N N 37 110.649 111.138 -0.489 1
1 350 . 11 1 1 A 37 37 GLY H H 37 8.196 8.668 -0.472 1
1 351 . 11 1 1 A 37 37 GLY CA C 37 45.414 46.902 -1.488 1
1 352 . 11 1 1 A 37 37 GLY HA3 H 37 3.920 3.851 0.069 1
1 353 . 11 1 1 A 37 37 GLY C C 37 174.050 174.062 -0.012 1
1 354 . 11 1 1 A 37 37 GLY HA2 H 37 4.016 3.846 0.170 1
1 355 . 11 1 1 A 38 38 GLU N N 38 120.504 117.469 3.035 1
1 356 . 11 1 1 A 38 38 GLU H H 38 8.039 7.879 0.160 1
1 357 . 11 1 1 A 38 38 GLU CA C 38 56.537 55.187 1.350 1
1 358 . 11 1 1 A 38 38 GLU HA H 38 4.215 4.680 -0.465 1
1 359 . 11 1 1 A 38 38 GLU CB C 38 30.588 31.828 -1.240 1
1 363 . 11 1 1 A 38 38 GLU C C 38 176.107 175.105 1.002 1
1 366 . 11 1 1 A 39 39 LYS N N 39 123.777 124.704 -0.927 1
1 367 . 11 1 1 A 39 39 LYS H H 39 8.401 8.785 -0.384 1
1 368 . 11 1 1 A 39 39 LYS CA C 39 54.099 52.885 1.214 1
1 369 . 11 1 1 A 39 39 LYS HA H 39 4.599 4.776 -0.177 1
1 370 . 11 1 1 A 39 39 LYS CB C 39 32.530 33.369 -0.839 1
1 378 . 11 1 1 A 39 39 LYS C C 39 174.452 174.259 0.193 1
1 383 . 11 1 1 A 40 40 PRO CA C 40 63.195 62.615 0.580 1
1 384 . 11 1 1 A 40 40 PRO HA H 40 4.445 4.569 -0.124 1
1 385 . 11 1 1 A 40 40 PRO CB C 40 32.187 32.516 -0.329 1
1 391 . 11 1 1 A 40 40 PRO C C 40 176.911 175.690 1.221 1
1 395 . 11 1 1 A 41 41 SER N N 41 116.485 118.068 -1.583 1
1 396 . 11 1 1 A 41 41 SER H H 41 8.449 8.520 -0.071 1
1 397 . 11 1 1 A 41 41 SER CA C 41 58.467 57.728 0.739 1
1 398 . 11 1 1 A 41 41 SER HA H 41 4.468 4.712 -0.244 1
1 399 . 11 1 1 A 41 41 SER CB C 41 63.909 62.347 1.562 1
1 401 . 11 1 1 A 41 41 SER C C 41 174.617 174.959 -0.342 1
1 403 . 11 1 1 A 42 42 GLY N N 42 110.609 115.324 -4.715 1
1 404 . 11 1 1 A 42 42 GLY H H 42 8.216 8.792 -0.576 1
1 405 . 11 1 1 A 42 42 GLY CA C 42 44.673 47.021 -2.348 1
1 406 . 11 1 1 A 42 42 GLY HA3 H 42 4.114 3.906 0.208 1
1 407 . 11 1 1 A 42 42 GLY C C 42 171.713 175.755 -4.042 1
1 408 . 11 1 1 A 42 42 GLY HA2 H 42 4.158 3.905 0.253 1
1 409 . 11 1 1 A 43 43 PRO CA C 43 63.260 64.237 -0.977 1
1 410 . 11 1 1 A 43 43 PRO HA H 43 4.484 4.594 -0.110 1
1 411 . 11 1 1 A 43 43 PRO CB C 43 32.216 31.789 0.427 1
1 417 . 11 1 1 A 43 43 PRO C C 43 177.352 175.621 1.731 1
1 421 . 11 1 1 A 44 44 SER N N 44 116.409 109.666 6.743 1
1 422 . 11 1 1 A 44 44 SER H H 44 8.511 7.504 1.007 1
1 423 . 11 1 1 A 44 44 SER CA C 44 58.392 57.120 1.272 1
1 424 . 11 1 1 A 44 44 SER HA H 44 4.466 4.869 -0.403 1
1 425 . 11 1 1 A 44 44 SER CB C 44 63.748 65.467 -1.719 1
1 427 . 11 1 1 A 44 44 SER C C 44 174.615 173.481 1.134 1
1 429 . 11 1 1 A 45 45 SER N N 45 117.817 119.415 -1.598 1
1 430 . 11 1 1 A 45 45 SER H H 45 8.303 8.751 -0.448 1
1 431 . 11 1 1 A 45 45 SER CA C 45 58.381 59.361 -0.980 1
1 432 . 11 1 1 A 45 45 SER HA H 45 4.452 4.234 0.218 1
1 433 . 11 1 1 A 45 45 SER CB C 45 64.070 63.109 0.961 1
1 435 . 11 1 1 A 45 45 SER C C 45 173.885 174.724 -0.839 1
1 1 . 12 1 1 A 8 8 HIS CA C 8 56.329 54.018 2.311 1
1 2 . 12 1 1 A 8 8 HIS HA H 8 4.628 5.168 -0.540 1
1 3 . 12 1 1 A 8 8 HIS CB C 8 30.709 31.762 -1.053 1
1 10 . 12 1 1 A 9 9 GLY CA C 9 45.330 45.487 -0.157 1
1 11 . 12 1 1 A 9 9 GLY HA3 H 9 3.909 4.243 -0.334 1
1 12 . 12 1 1 A 9 9 GLY C C 9 174.145 171.604 2.541 1
1 13 . 12 1 1 A 9 9 GLY HA2 H 9 3.909 4.190 -0.281 1
1 14 . 12 1 1 A 10 10 GLU N N 10 120.846 120.319 0.527 1
1 15 . 12 1 1 A 10 10 GLU H H 10 8.353 8.517 -0.164 1
1 16 . 12 1 1 A 10 10 GLU CA C 10 56.524 55.597 0.927 1
1 17 . 12 1 1 A 10 10 GLU HA H 10 4.225 4.640 -0.415 1
1 18 . 12 1 1 A 10 10 GLU CB C 10 30.384 29.004 1.380 1
1 22 . 12 1 1 A 10 10 GLU C C 10 176.348 175.476 0.872 1
1 25 . 12 1 1 A 11 11 ARG N N 11 121.539 122.560 -1.021 1
1 26 . 12 1 1 A 11 11 ARG H H 11 8.281 8.068 0.213 1
1 27 . 12 1 1 A 11 11 ARG CA C 11 56.005 53.800 2.205 1
1 28 . 12 1 1 A 11 11 ARG HA H 11 4.316 4.820 -0.504 1
1 29 . 12 1 1 A 11 11 ARG CB C 11 31.130 33.492 -2.362 1
1 35 . 12 1 1 A 11 11 ARG C C 11 176.001 176.169 -0.168 1
1 39 . 12 1 1 A 12 12 GLY N N 12 107.819 108.544 -0.725 1
1 40 . 12 1 1 A 12 12 GLY H H 12 8.075 8.429 -0.354 1
1 41 . 12 1 1 A 12 12 GLY CA C 12 44.814 44.028 0.786 1
1 42 . 12 1 1 A 12 12 GLY HA3 H 12 4.014 3.824 0.190 1
1 43 . 12 1 1 A 12 12 GLY C C 12 172.193 172.375 -0.182 1
1 44 . 12 1 1 A 12 12 GLY HA2 H 12 3.651 3.696 -0.045 1
1 45 . 12 1 1 A 13 13 HIS N N 13 119.279 117.969 1.310 1
1 46 . 12 1 1 A 13 13 HIS H H 13 8.024 7.617 0.407 1
1 47 . 12 1 1 A 13 13 HIS CA C 13 55.118 54.048 1.070 1
1 48 . 12 1 1 A 13 13 HIS HA H 13 4.235 4.744 -0.509 1
1 49 . 12 1 1 A 13 13 HIS CB C 13 31.866 31.358 0.508 1
1 55 . 12 1 1 A 13 13 HIS C C 13 173.211 173.178 0.033 1
1 57 . 12 1 1 A 14 14 ARG N N 14 124.116 125.336 -1.220 1
1 58 . 12 1 1 A 14 14 ARG H H 14 8.606 8.835 -0.229 1
1 59 . 12 1 1 A 14 14 ARG CA C 14 54.263 54.977 -0.714 1
1 60 . 12 1 1 A 14 14 ARG HA H 14 4.820 5.227 -0.407 1
1 61 . 12 1 1 A 14 14 ARG CB C 14 32.523 32.099 0.424 1
1 67 . 12 1 1 A 14 14 ARG C C 14 175.690 176.655 -0.965 1
1 71 . 12 1 1 A 15 15 CYS N N 15 128.999 125.445 3.554 1
1 72 . 12 1 1 A 15 15 CYS H H 15 9.354 9.376 -0.022 1
1 73 . 12 1 1 A 15 15 CYS CA C 15 59.902 59.524 0.378 1
1 74 . 12 1 1 A 15 15 CYS HA H 15 4.843 4.952 -0.109 1
1 75 . 12 1 1 A 15 15 CYS CB C 15 30.080 29.129 0.951 1
1 77 . 12 1 1 A 15 15 CYS C C 15 177.294 174.846 2.448 1
1 79 . 12 1 1 A 16 16 SER CA C 16 61.138 59.776 1.362 1
1 80 . 12 1 1 A 16 16 SER HA H 16 4.245 4.498 -0.253 1
1 81 . 12 1 1 A 16 16 SER CB C 16 63.060 64.276 -1.216 1
1 83 . 12 1 1 A 16 16 SER C C 16 174.763 176.092 -1.329 1
1 85 . 12 1 1 A 17 17 ASP N N 17 121.918 122.050 -0.132 1
1 86 . 12 1 1 A 17 17 ASP H H 17 8.415 7.680 0.735 1
1 87 . 12 1 1 A 17 17 ASP CA C 17 57.173 57.017 0.156 1
1 88 . 12 1 1 A 17 17 ASP HA H 17 4.602 4.206 0.396 1
1 89 . 12 1 1 A 17 17 ASP CB C 17 41.250 39.589 1.661 1
1 91 . 12 1 1 A 17 17 ASP C C 17 176.420 177.415 -0.995 1
1 93 . 12 1 1 A 18 18 CYS N N 18 114.553 113.696 0.857 1
1 94 . 12 1 1 A 18 18 CYS H H 18 7.796 7.417 0.379 1
1 95 . 12 1 1 A 18 18 CYS CA C 18 58.608 59.592 -0.984 1
1 96 . 12 1 1 A 18 18 CYS HA H 18 5.206 4.690 0.516 1
1 97 . 12 1 1 A 18 18 CYS CB C 18 32.187 30.068 2.119 1
1 99 . 12 1 1 A 18 18 CYS C C 18 176.107 175.525 0.582 1
1 101 . 12 1 1 A 19 19 GLY N N 19 113.601 110.420 3.181 1
1 102 . 12 1 1 A 19 19 GLY H H 19 8.268 8.300 -0.032 1
1 103 . 12 1 1 A 19 19 GLY CA C 19 46.294 45.304 0.990 1
1 104 . 12 1 1 A 19 19 GLY HA3 H 19 4.251 4.133 0.118 1
1 105 . 12 1 1 A 19 19 GLY C C 19 173.687 174.814 -1.127 1
1 106 . 12 1 1 A 19 19 GLY HA2 H 19 3.794 4.102 -0.308 1
1 107 . 12 1 1 A 20 20 LYS N N 20 121.922 120.288 1.634 1
1 108 . 12 1 1 A 20 20 LYS H H 20 7.833 7.527 0.306 1
1 109 . 12 1 1 A 20 20 LYS CA C 20 58.157 56.513 1.644 1
1 110 . 12 1 1 A 20 20 LYS HA H 20 4.133 4.585 -0.452 1
1 111 . 12 1 1 A 20 20 LYS CB C 20 34.348 34.709 -0.361 1
1 119 . 12 1 1 A 20 20 LYS C C 20 174.006 175.366 -1.360 1
1 124 . 12 1 1 A 21 21 PHE N N 21 121.592 122.989 -1.397 1
1 125 . 12 1 1 A 21 21 PHE H H 21 8.197 8.720 -0.523 1
1 126 . 12 1 1 A 21 21 PHE CA C 21 57.064 56.856 0.208 1
1 127 . 12 1 1 A 21 21 PHE HA H 21 5.118 5.632 -0.514 1
1 128 . 12 1 1 A 21 21 PHE CB C 21 42.295 43.206 -0.911 1
1 140 . 12 1 1 A 21 21 PHE C C 21 174.756 173.303 1.453 1
1 142 . 12 1 1 A 22 22 PHE N N 22 122.744 122.707 0.037 1
1 143 . 12 1 1 A 22 22 PHE H H 22 8.535 7.994 0.541 1
1 144 . 12 1 1 A 22 22 PHE CA C 22 56.937 56.296 0.641 1
1 145 . 12 1 1 A 22 22 PHE HA H 22 4.467 4.957 -0.490 1
1 146 . 12 1 1 A 22 22 PHE CB C 22 42.745 44.343 -1.598 1
1 158 . 12 1 1 A 22 22 PHE C C 22 174.570 174.878 -0.308 1
1 160 . 12 1 1 A 23 23 LEU N N 23 124.547 120.769 3.778 1
1 161 . 12 1 1 A 23 23 LEU H H 23 8.632 8.437 0.195 1
1 162 . 12 1 1 A 23 23 LEU CA C 23 57.016 55.553 1.463 1
1 163 . 12 1 1 A 23 23 LEU HA H 23 4.190 4.439 -0.249 1
1 164 . 12 1 1 A 23 23 LEU CB C 23 43.006 43.857 -0.851 1
1 176 . 12 1 1 A 23 23 LEU C C 23 177.399 176.184 1.215 1
1 178 . 12 1 1 A 24 24 GLN N N 24 115.779 118.371 -2.592 1
1 179 . 12 1 1 A 24 24 GLN H H 24 8.246 7.619 0.627 1
1 180 . 12 1 1 A 24 24 GLN CA C 24 54.687 54.879 -0.192 1
1 181 . 12 1 1 A 24 24 GLN HA H 24 4.787 4.644 0.143 1
1 182 . 12 1 1 A 24 24 GLN CB C 24 29.974 29.254 0.720 1
1 189 . 12 1 1 A 24 24 GLN C C 24 176.712 176.214 0.498 1
1 192 . 12 1 1 A 25 25 ALA CA C 25 55.575 55.612 -0.037 1
1 193 . 12 1 1 A 25 25 ALA HA H 25 3.542 3.629 -0.087 1
1 194 . 12 1 1 A 25 25 ALA CB C 25 18.019 18.277 -0.258 1
1 198 . 12 1 1 A 25 25 ALA C C 25 179.282 179.488 -0.206 1
1 199 . 12 1 1 A 26 26 SER N N 26 111.647 113.415 -1.768 1
1 200 . 12 1 1 A 26 26 SER H H 26 8.886 8.277 0.609 1
1 201 . 12 1 1 A 26 26 SER CA C 26 61.362 62.407 -1.045 1
1 202 . 12 1 1 A 26 26 SER HA H 26 4.039 4.100 -0.061 1
1 203 . 12 1 1 A 26 26 SER CB C 26 61.561 62.575 -1.014 1
1 205 . 12 1 1 A 26 26 SER C C 26 177.406 176.904 0.502 1
1 207 . 12 1 1 A 27 27 ASN N N 27 119.503 120.319 -0.816 1
1 208 . 12 1 1 A 27 27 ASN H H 27 7.021 8.425 -1.404 1
1 209 . 12 1 1 A 27 27 ASN CA C 27 55.428 56.424 -0.996 1
1 210 . 12 1 1 A 27 27 ASN HA H 27 4.575 4.432 0.143 1
1 211 . 12 1 1 A 27 27 ASN CB C 27 38.410 38.081 0.329 1
1 216 . 12 1 1 A 27 27 ASN C C 27 177.285 178.207 -0.922 1
1 218 . 12 1 1 A 28 28 PHE N N 28 123.068 121.990 1.078 1
1 219 . 12 1 1 A 28 28 PHE H H 28 7.786 8.231 -0.445 1
1 220 . 12 1 1 A 28 28 PHE CA C 28 60.488 60.160 0.328 1
1 221 . 12 1 1 A 28 28 PHE HA H 28 3.240 3.101 0.139 1
1 222 . 12 1 1 A 28 28 PHE CB C 28 38.809 39.158 -0.349 1
1 234 . 12 1 1 A 28 28 PHE C C 28 175.850 176.901 -1.051 1
1 236 . 12 1 1 A 29 29 ILE N N 29 119.421 119.028 0.393 1
1 237 . 12 1 1 A 29 29 ILE H H 29 8.501 8.027 0.474 1
1 238 . 12 1 1 A 29 29 ILE CA C 29 64.558 64.323 0.235 1
1 239 . 12 1 1 A 29 29 ILE HA H 29 3.221 3.477 -0.256 1
1 240 . 12 1 1 A 29 29 ILE CB C 29 37.818 37.482 0.336 1
1 252 . 12 1 1 A 29 29 ILE C C 29 178.885 178.773 0.112 1
1 254 . 12 1 1 A 30 30 GLN N N 30 117.482 117.381 0.101 1
1 255 . 12 1 1 A 30 30 GLN H H 30 7.343 7.960 -0.617 1
1 256 . 12 1 1 A 30 30 GLN CA C 30 58.656 57.682 0.974 1
1 257 . 12 1 1 A 30 30 GLN HA H 30 3.885 4.140 -0.255 1
1 258 . 12 1 1 A 30 30 GLN CB C 30 28.460 28.355 0.105 1
1 265 . 12 1 1 A 30 30 GLN C C 30 178.347 177.238 1.109 1
1 268 . 12 1 1 A 31 31 HIS N N 31 119.125 120.459 -1.334 1
1 269 . 12 1 1 A 31 31 HIS H H 31 7.738 7.876 -0.138 1
1 270 . 12 1 1 A 31 31 HIS CA C 31 59.348 58.341 1.007 1
1 271 . 12 1 1 A 31 31 HIS HA H 31 4.052 4.252 -0.200 1
1 272 . 12 1 1 A 31 31 HIS CB C 31 28.129 30.024 -1.895 1
1 278 . 12 1 1 A 31 31 HIS C C 31 176.394 177.042 -0.648 1
1 280 . 12 1 1 A 32 32 ARG N N 32 115.404 118.144 -2.740 1
1 281 . 12 1 1 A 32 32 ARG H H 32 7.920 7.583 0.337 1
1 282 . 12 1 1 A 32 32 ARG CA C 32 58.191 58.089 0.102 1
1 283 . 12 1 1 A 32 32 ARG HA H 32 3.510 4.016 -0.506 1
1 284 . 12 1 1 A 32 32 ARG CB C 32 28.088 29.719 -1.631 1
1 290 . 12 1 1 A 32 32 ARG C C 32 177.828 178.014 -0.186 1
1 294 . 12 1 1 A 33 33 ARG N N 33 116.284 118.245 -1.961 1
1 295 . 12 1 1 A 33 33 ARG H H 33 7.025 7.803 -0.778 1
1 296 . 12 1 1 A 33 33 ARG CA C 33 58.538 59.140 -0.602 1
1 297 . 12 1 1 A 33 33 ARG HA H 33 4.094 4.001 0.093 1
1 298 . 12 1 1 A 33 33 ARG CB C 33 29.994 30.313 -0.319 1
1 304 . 12 1 1 A 33 33 ARG C C 33 178.632 178.925 -0.293 1
1 308 . 12 1 1 A 34 34 ILE N N 34 116.774 116.921 -0.147 1
1 309 . 12 1 1 A 34 34 ILE H H 34 7.715 7.586 0.129 1
1 310 . 12 1 1 A 34 34 ILE CA C 34 63.294 64.140 -0.846 1
1 311 . 12 1 1 A 34 34 ILE HA H 34 3.886 3.705 0.181 1
1 312 . 12 1 1 A 34 34 ILE CB C 34 37.481 37.231 0.250 1
1 324 . 12 1 1 A 34 34 ILE C C 34 177.422 177.589 -0.167 1
1 326 . 12 1 1 A 35 35 HIS N N 35 117.061 120.059 -2.998 1
1 327 . 12 1 1 A 35 35 HIS H H 35 7.143 7.340 -0.197 1
1 328 . 12 1 1 A 35 35 HIS CA C 35 55.554 58.616 -3.062 1
1 329 . 12 1 1 A 35 35 HIS HA H 35 4.798 4.395 0.403 1
1 330 . 12 1 1 A 35 35 HIS CB C 35 28.994 30.762 -1.768 1
1 336 . 12 1 1 A 35 35 HIS C C 35 176.009 175.323 0.686 1
1 338 . 12 1 1 A 36 36 THR N N 36 110.946 112.749 -1.803 1
1 339 . 12 1 1 A 36 36 THR H H 36 7.834 8.245 -0.411 1
1 340 . 12 1 1 A 36 36 THR CA C 36 62.550 59.925 2.625 1
1 341 . 12 1 1 A 36 36 THR HA H 36 4.312 4.688 -0.376 1
1 342 . 12 1 1 A 36 36 THR CB C 36 69.804 70.737 -0.933 1
1 348 . 12 1 1 A 36 36 THR C C 36 175.635 173.636 1.999 1
1 349 . 12 1 1 A 37 37 GLY N N 37 110.649 114.070 -3.421 1
1 350 . 12 1 1 A 37 37 GLY H H 37 8.196 8.215 -0.019 1
1 351 . 12 1 1 A 37 37 GLY CA C 37 45.414 45.466 -0.052 1
1 352 . 12 1 1 A 37 37 GLY HA3 H 37 3.920 4.151 -0.231 1
1 353 . 12 1 1 A 37 37 GLY C C 37 174.050 172.932 1.118 1
1 354 . 12 1 1 A 37 37 GLY HA2 H 37 4.016 4.139 -0.123 1
1 355 . 12 1 1 A 38 38 GLU N N 38 120.504 126.263 -5.759 1
1 356 . 12 1 1 A 38 38 GLU H H 38 8.039 8.199 -0.160 1
1 357 . 12 1 1 A 38 38 GLU CA C 38 56.537 56.571 -0.034 1
1 358 . 12 1 1 A 38 38 GLU HA H 38 4.215 4.333 -0.118 1
1 359 . 12 1 1 A 38 38 GLU CB C 38 30.588 30.000 0.588 1
1 363 . 12 1 1 A 38 38 GLU C C 38 176.107 175.869 0.238 1
1 366 . 12 1 1 A 39 39 LYS N N 39 123.777 124.622 -0.845 1
1 367 . 12 1 1 A 39 39 LYS H H 39 8.401 7.871 0.530 1
1 368 . 12 1 1 A 39 39 LYS CA C 39 54.099 54.186 -0.087 1
1 369 . 12 1 1 A 39 39 LYS HA H 39 4.599 4.813 -0.214 1
1 370 . 12 1 1 A 39 39 LYS CB C 39 32.530 32.970 -0.440 1
1 378 . 12 1 1 A 39 39 LYS C C 39 174.452 175.432 -0.980 1
1 383 . 12 1 1 A 40 40 PRO CA C 40 63.195 62.227 0.968 1
1 384 . 12 1 1 A 40 40 PRO HA H 40 4.445 4.534 -0.089 1
1 385 . 12 1 1 A 40 40 PRO CB C 40 32.187 33.202 -1.015 1
1 391 . 12 1 1 A 40 40 PRO C C 40 176.911 177.340 -0.429 1
1 395 . 12 1 1 A 41 41 SER N N 41 116.485 116.132 0.353 1
1 396 . 12 1 1 A 41 41 SER H H 41 8.449 8.826 -0.377 1
1 397 . 12 1 1 A 41 41 SER CA C 41 58.467 61.770 -3.303 1
1 398 . 12 1 1 A 41 41 SER HA H 41 4.468 4.160 0.308 1
1 399 . 12 1 1 A 41 41 SER CB C 41 63.909 63.122 0.787 1
1 401 . 12 1 1 A 41 41 SER C C 41 174.617 175.434 -0.817 1
1 403 . 12 1 1 A 42 42 GLY N N 42 110.609 105.171 5.438 1
1 404 . 12 1 1 A 42 42 GLY H H 42 8.216 7.753 0.463 1
1 405 . 12 1 1 A 42 42 GLY CA C 42 44.673 45.400 -0.727 1
1 406 . 12 1 1 A 42 42 GLY HA3 H 42 4.114 4.328 -0.214 1
1 407 . 12 1 1 A 42 42 GLY C C 42 171.713 171.823 -0.110 1
1 408 . 12 1 1 A 42 42 GLY HA2 H 42 4.158 4.327 -0.169 1
1 409 . 12 1 1 A 43 43 PRO CA C 43 63.260 62.891 0.369 1
1 410 . 12 1 1 A 43 43 PRO HA H 43 4.484 4.471 0.013 1
1 411 . 12 1 1 A 43 43 PRO CB C 43 32.216 31.888 0.328 1
1 417 . 12 1 1 A 43 43 PRO C C 43 177.352 176.139 1.213 1
1 421 . 12 1 1 A 44 44 SER N N 44 116.409 118.226 -1.817 1
1 422 . 12 1 1 A 44 44 SER H H 44 8.511 8.525 -0.014 1
1 423 . 12 1 1 A 44 44 SER CA C 44 58.392 57.096 1.296 1
1 424 . 12 1 1 A 44 44 SER HA H 44 4.466 4.731 -0.265 1
1 425 . 12 1 1 A 44 44 SER CB C 44 63.748 63.382 0.366 1
1 427 . 12 1 1 A 44 44 SER C C 44 174.615 173.128 1.487 1
1 429 . 12 1 1 A 45 45 SER N N 45 117.817 124.368 -6.551 1
1 430 . 12 1 1 A 45 45 SER H H 45 8.303 8.883 -0.580 1
1 431 . 12 1 1 A 45 45 SER CA C 45 58.381 56.510 1.871 1
1 432 . 12 1 1 A 45 45 SER HA H 45 4.452 5.317 -0.865 1
1 433 . 12 1 1 A 45 45 SER CB C 45 64.070 65.130 -1.060 1
1 435 . 12 1 1 A 45 45 SER C C 45 173.885 173.543 0.342 1
1 1 . 13 1 1 A 8 8 HIS CA C 8 56.329 58.422 -2.093 1
1 2 . 13 1 1 A 8 8 HIS HA H 8 4.628 4.135 0.493 1
1 3 . 13 1 1 A 8 8 HIS CB C 8 30.709 30.110 0.599 1
1 10 . 13 1 1 A 9 9 GLY CA C 9 45.330 46.831 -1.501 1
1 11 . 13 1 1 A 9 9 GLY HA3 H 9 3.909 3.859 0.050 1
1 12 . 13 1 1 A 9 9 GLY C C 9 174.145 173.231 0.914 1
1 13 . 13 1 1 A 9 9 GLY HA2 H 9 3.909 3.854 0.055 1
1 14 . 13 1 1 A 10 10 GLU N N 10 120.846 121.975 -1.129 1
1 15 . 13 1 1 A 10 10 GLU H H 10 8.353 8.567 -0.214 1
1 16 . 13 1 1 A 10 10 GLU CA C 10 56.524 54.855 1.669 1
1 17 . 13 1 1 A 10 10 GLU HA H 10 4.225 5.054 -0.829 1
1 18 . 13 1 1 A 10 10 GLU CB C 10 30.384 33.294 -2.910 1
1 22 . 13 1 1 A 10 10 GLU C C 10 176.348 174.979 1.369 1
1 25 . 13 1 1 A 11 11 ARG N N 11 121.539 126.552 -5.013 1
1 26 . 13 1 1 A 11 11 ARG H H 11 8.281 9.055 -0.774 1
1 27 . 13 1 1 A 11 11 ARG CA C 11 56.005 54.843 1.162 1
1 28 . 13 1 1 A 11 11 ARG HA H 11 4.316 4.651 -0.335 1
1 29 . 13 1 1 A 11 11 ARG CB C 11 31.130 31.188 -0.058 1
1 35 . 13 1 1 A 11 11 ARG C C 11 176.001 174.938 1.063 1
1 39 . 13 1 1 A 12 12 GLY N N 12 107.819 108.363 -0.544 1
1 40 . 13 1 1 A 12 12 GLY H H 12 8.075 7.575 0.500 1
1 41 . 13 1 1 A 12 12 GLY CA C 12 44.814 45.656 -0.842 1
1 42 . 13 1 1 A 12 12 GLY HA3 H 12 4.014 4.056 -0.042 1
1 43 . 13 1 1 A 12 12 GLY C C 12 172.193 171.203 0.990 1
1 44 . 13 1 1 A 12 12 GLY HA2 H 12 3.651 3.845 -0.194 1
1 45 . 13 1 1 A 13 13 HIS N N 13 119.279 117.778 1.501 1
1 46 . 13 1 1 A 13 13 HIS H H 13 8.024 7.874 0.150 1
1 47 . 13 1 1 A 13 13 HIS CA C 13 55.118 54.225 0.893 1
1 48 . 13 1 1 A 13 13 HIS HA H 13 4.235 4.803 -0.568 1
1 49 . 13 1 1 A 13 13 HIS CB C 13 31.866 31.965 -0.099 1
1 55 . 13 1 1 A 13 13 HIS C C 13 173.211 173.228 -0.017 1
1 57 . 13 1 1 A 14 14 ARG N N 14 124.116 124.878 -0.762 1
1 58 . 13 1 1 A 14 14 ARG H H 14 8.606 9.069 -0.463 1
1 59 . 13 1 1 A 14 14 ARG CA C 14 54.263 54.380 -0.117 1
1 60 . 13 1 1 A 14 14 ARG HA H 14 4.820 5.545 -0.725 1
1 61 . 13 1 1 A 14 14 ARG CB C 14 32.523 32.740 -0.217 1
1 67 . 13 1 1 A 14 14 ARG C C 14 175.690 176.391 -0.701 1
1 71 . 13 1 1 A 15 15 CYS N N 15 128.999 125.316 3.683 1
1 72 . 13 1 1 A 15 15 CYS H H 15 9.354 9.205 0.149 1
1 73 . 13 1 1 A 15 15 CYS CA C 15 59.902 59.495 0.407 1
1 74 . 13 1 1 A 15 15 CYS HA H 15 4.843 5.045 -0.202 1
1 75 . 13 1 1 A 15 15 CYS CB C 15 30.080 29.336 0.744 1
1 77 . 13 1 1 A 15 15 CYS C C 15 177.294 174.809 2.485 1
1 79 . 13 1 1 A 16 16 SER CA C 16 61.138 60.136 1.002 1
1 80 . 13 1 1 A 16 16 SER HA H 16 4.245 4.619 -0.374 1
1 81 . 13 1 1 A 16 16 SER CB C 16 63.060 64.136 -1.076 1
1 83 . 13 1 1 A 16 16 SER C C 16 174.763 174.915 -0.152 1
1 85 . 13 1 1 A 17 17 ASP N N 17 121.918 121.690 0.228 1
1 86 . 13 1 1 A 17 17 ASP H H 17 8.415 7.627 0.788 1
1 87 . 13 1 1 A 17 17 ASP CA C 17 57.173 57.465 -0.292 1
1 88 . 13 1 1 A 17 17 ASP HA H 17 4.602 4.199 0.403 1
1 89 . 13 1 1 A 17 17 ASP CB C 17 41.250 40.832 0.418 1
1 91 . 13 1 1 A 17 17 ASP C C 17 176.420 177.447 -1.027 1
1 93 . 13 1 1 A 18 18 CYS N N 18 114.553 114.798 -0.245 1
1 94 . 13 1 1 A 18 18 CYS H H 18 7.796 7.397 0.399 1
1 95 . 13 1 1 A 18 18 CYS CA C 18 58.608 59.681 -1.073 1
1 96 . 13 1 1 A 18 18 CYS HA H 18 5.206 4.644 0.562 1
1 97 . 13 1 1 A 18 18 CYS CB C 18 32.187 29.570 2.617 1
1 99 . 13 1 1 A 18 18 CYS C C 18 176.107 175.520 0.587 1
1 101 . 13 1 1 A 19 19 GLY N N 19 113.601 110.448 3.153 1
1 102 . 13 1 1 A 19 19 GLY H H 19 8.268 8.301 -0.033 1
1 103 . 13 1 1 A 19 19 GLY CA C 19 46.294 46.132 0.162 1
1 104 . 13 1 1 A 19 19 GLY HA3 H 19 4.251 4.094 0.157 1
1 105 . 13 1 1 A 19 19 GLY C C 19 173.687 174.310 -0.623 1
1 106 . 13 1 1 A 19 19 GLY HA2 H 19 3.794 4.059 -0.265 1
1 107 . 13 1 1 A 20 20 LYS N N 20 121.922 119.239 2.683 1
1 108 . 13 1 1 A 20 20 LYS H H 20 7.833 8.024 -0.191 1
1 109 . 13 1 1 A 20 20 LYS CA C 20 58.157 55.107 3.050 1
1 110 . 13 1 1 A 20 20 LYS HA H 20 4.133 4.834 -0.701 1
1 111 . 13 1 1 A 20 20 LYS CB C 20 34.348 34.776 -0.428 1
1 119 . 13 1 1 A 20 20 LYS C C 20 174.006 175.282 -1.276 1
1 124 . 13 1 1 A 21 21 PHE N N 21 121.592 122.891 -1.299 1
1 125 . 13 1 1 A 21 21 PHE H H 21 8.197 8.733 -0.536 1
1 126 . 13 1 1 A 21 21 PHE CA C 21 57.064 56.622 0.442 1
1 127 . 13 1 1 A 21 21 PHE HA H 21 5.118 5.596 -0.478 1
1 128 . 13 1 1 A 21 21 PHE CB C 21 42.295 43.221 -0.926 1
1 140 . 13 1 1 A 21 21 PHE C C 21 174.756 173.316 1.440 1
1 142 . 13 1 1 A 22 22 PHE N N 22 122.744 122.740 0.004 1
1 143 . 13 1 1 A 22 22 PHE H H 22 8.535 7.642 0.893 1
1 144 . 13 1 1 A 22 22 PHE CA C 22 56.937 56.149 0.788 1
1 145 . 13 1 1 A 22 22 PHE HA H 22 4.467 4.958 -0.491 1
1 146 . 13 1 1 A 22 22 PHE CB C 22 42.745 44.411 -1.666 1
1 158 . 13 1 1 A 22 22 PHE C C 22 174.570 174.881 -0.311 1
1 160 . 13 1 1 A 23 23 LEU N N 23 124.547 120.787 3.760 1
1 161 . 13 1 1 A 23 23 LEU H H 23 8.632 8.521 0.111 1
1 162 . 13 1 1 A 23 23 LEU CA C 23 57.016 55.586 1.430 1
1 163 . 13 1 1 A 23 23 LEU HA H 23 4.190 4.474 -0.284 1
1 164 . 13 1 1 A 23 23 LEU CB C 23 43.006 44.088 -1.082 1
1 176 . 13 1 1 A 23 23 LEU C C 23 177.399 176.324 1.075 1
1 178 . 13 1 1 A 24 24 GLN N N 24 115.779 118.217 -2.438 1
1 179 . 13 1 1 A 24 24 GLN H H 24 8.246 7.599 0.647 1
1 180 . 13 1 1 A 24 24 GLN CA C 24 54.687 54.929 -0.242 1
1 181 . 13 1 1 A 24 24 GLN HA H 24 4.787 4.622 0.165 1
1 182 . 13 1 1 A 24 24 GLN CB C 24 29.974 29.000 0.974 1
1 189 . 13 1 1 A 24 24 GLN C C 24 176.712 176.220 0.492 1
1 192 . 13 1 1 A 25 25 ALA CA C 25 55.575 55.572 0.003 1
1 193 . 13 1 1 A 25 25 ALA HA H 25 3.542 3.508 0.034 1
1 194 . 13 1 1 A 25 25 ALA CB C 25 18.019 18.341 -0.322 1
1 198 . 13 1 1 A 25 25 ALA C C 25 179.282 179.484 -0.202 1
1 199 . 13 1 1 A 26 26 SER N N 26 111.647 113.165 -1.518 1
1 200 . 13 1 1 A 26 26 SER H H 26 8.886 8.207 0.679 1
1 201 . 13 1 1 A 26 26 SER CA C 26 61.362 62.173 -0.811 1
1 202 . 13 1 1 A 26 26 SER HA H 26 4.039 4.096 -0.057 1
1 203 . 13 1 1 A 26 26 SER CB C 26 61.561 62.680 -1.119 1
1 205 . 13 1 1 A 26 26 SER C C 26 177.406 176.691 0.715 1
1 207 . 13 1 1 A 27 27 ASN N N 27 119.503 120.449 -0.946 1
1 208 . 13 1 1 A 27 27 ASN H H 27 7.021 8.306 -1.285 1
1 209 . 13 1 1 A 27 27 ASN CA C 27 55.428 56.410 -0.982 1
1 210 . 13 1 1 A 27 27 ASN HA H 27 4.575 4.425 0.150 1
1 211 . 13 1 1 A 27 27 ASN CB C 27 38.410 37.997 0.413 1
1 216 . 13 1 1 A 27 27 ASN C C 27 177.285 178.077 -0.792 1
1 218 . 13 1 1 A 28 28 PHE N N 28 123.068 121.980 1.088 1
1 219 . 13 1 1 A 28 28 PHE H H 28 7.786 8.218 -0.432 1
1 220 . 13 1 1 A 28 28 PHE CA C 28 60.488 60.367 0.121 1
1 221 . 13 1 1 A 28 28 PHE HA H 28 3.240 3.074 0.166 1
1 222 . 13 1 1 A 28 28 PHE CB C 28 38.809 38.846 -0.037 1
1 234 . 13 1 1 A 28 28 PHE C C 28 175.850 176.722 -0.872 1
1 236 . 13 1 1 A 29 29 ILE N N 29 119.421 119.345 0.076 1
1 237 . 13 1 1 A 29 29 ILE H H 29 8.501 7.999 0.502 1
1 238 . 13 1 1 A 29 29 ILE CA C 29 64.558 64.620 -0.062 1
1 239 . 13 1 1 A 29 29 ILE HA H 29 3.221 3.336 -0.115 1
1 240 . 13 1 1 A 29 29 ILE CB C 29 37.818 37.317 0.501 1
1 252 . 13 1 1 A 29 29 ILE C C 29 178.885 178.715 0.170 1
1 254 . 13 1 1 A 30 30 GLN N N 30 117.482 117.280 0.202 1
1 255 . 13 1 1 A 30 30 GLN H H 30 7.343 8.021 -0.678 1
1 256 . 13 1 1 A 30 30 GLN CA C 30 58.656 57.718 0.938 1
1 257 . 13 1 1 A 30 30 GLN HA H 30 3.885 4.085 -0.200 1
1 258 . 13 1 1 A 30 30 GLN CB C 30 28.460 28.392 0.068 1
1 265 . 13 1 1 A 30 30 GLN C C 30 178.347 177.405 0.942 1
1 268 . 13 1 1 A 31 31 HIS N N 31 119.125 120.585 -1.460 1
1 269 . 13 1 1 A 31 31 HIS H H 31 7.738 7.770 -0.032 1
1 270 . 13 1 1 A 31 31 HIS CA C 31 59.348 58.677 0.671 1
1 271 . 13 1 1 A 31 31 HIS HA H 31 4.052 4.238 -0.186 1
1 272 . 13 1 1 A 31 31 HIS CB C 31 28.129 29.878 -1.749 1
1 278 . 13 1 1 A 31 31 HIS C C 31 176.394 176.952 -0.558 1
1 280 . 13 1 1 A 32 32 ARG N N 32 115.404 118.157 -2.753 1
1 281 . 13 1 1 A 32 32 ARG H H 32 7.920 7.545 0.375 1
1 282 . 13 1 1 A 32 32 ARG CA C 32 58.191 58.166 0.025 1
1 283 . 13 1 1 A 32 32 ARG HA H 32 3.510 4.010 -0.500 1
1 284 . 13 1 1 A 32 32 ARG CB C 32 28.088 29.746 -1.658 1
1 290 . 13 1 1 A 32 32 ARG C C 32 177.828 177.870 -0.042 1
1 294 . 13 1 1 A 33 33 ARG N N 33 116.284 118.241 -1.957 1
1 295 . 13 1 1 A 33 33 ARG H H 33 7.025 7.817 -0.792 1
1 296 . 13 1 1 A 33 33 ARG CA C 33 58.538 59.023 -0.485 1
1 297 . 13 1 1 A 33 33 ARG HA H 33 4.094 3.997 0.097 1
1 298 . 13 1 1 A 33 33 ARG CB C 33 29.994 30.202 -0.208 1
1 304 . 13 1 1 A 33 33 ARG C C 33 178.632 179.020 -0.388 1
1 308 . 13 1 1 A 34 34 ILE N N 34 116.774 116.929 -0.155 1
1 309 . 13 1 1 A 34 34 ILE H H 34 7.715 7.594 0.121 1
1 310 . 13 1 1 A 34 34 ILE CA C 34 63.294 64.163 -0.869 1
1 311 . 13 1 1 A 34 34 ILE HA H 34 3.886 3.713 0.173 1
1 312 . 13 1 1 A 34 34 ILE CB C 34 37.481 37.296 0.185 1
1 324 . 13 1 1 A 34 34 ILE C C 34 177.422 177.762 -0.340 1
1 326 . 13 1 1 A 35 35 HIS N N 35 117.061 119.945 -2.884 1
1 327 . 13 1 1 A 35 35 HIS H H 35 7.143 7.452 -0.309 1
1 328 . 13 1 1 A 35 35 HIS CA C 35 55.554 59.123 -3.569 1
1 329 . 13 1 1 A 35 35 HIS HA H 35 4.798 4.303 0.495 1
1 330 . 13 1 1 A 35 35 HIS CB C 35 28.994 30.464 -1.470 1
1 336 . 13 1 1 A 35 35 HIS C C 35 176.009 175.470 0.539 1
1 338 . 13 1 1 A 36 36 THR N N 36 110.946 111.819 -0.873 1
1 339 . 13 1 1 A 36 36 THR H H 36 7.834 7.933 -0.099 1
1 340 . 13 1 1 A 36 36 THR CA C 36 62.550 61.746 0.804 1
1 341 . 13 1 1 A 36 36 THR HA H 36 4.312 4.263 0.049 1
1 342 . 13 1 1 A 36 36 THR CB C 36 69.804 69.495 0.309 1
1 348 . 13 1 1 A 36 36 THR C C 36 175.635 174.401 1.234 1
1 349 . 13 1 1 A 37 37 GLY N N 37 110.649 111.726 -1.077 1
1 350 . 13 1 1 A 37 37 GLY H H 37 8.196 8.682 -0.486 1
1 351 . 13 1 1 A 37 37 GLY CA C 37 45.414 44.585 0.829 1
1 352 . 13 1 1 A 37 37 GLY HA3 H 37 3.920 4.364 -0.444 1
1 353 . 13 1 1 A 37 37 GLY C C 37 174.050 172.320 1.730 1
1 354 . 13 1 1 A 37 37 GLY HA2 H 37 4.016 4.359 -0.343 1
1 355 . 13 1 1 A 38 38 GLU N N 38 120.504 121.622 -1.118 1
1 356 . 13 1 1 A 38 38 GLU H H 38 8.039 8.337 -0.298 1
1 357 . 13 1 1 A 38 38 GLU CA C 38 56.537 56.066 0.471 1
1 358 . 13 1 1 A 38 38 GLU HA H 38 4.215 4.537 -0.322 1
1 359 . 13 1 1 A 38 38 GLU CB C 38 30.588 30.289 0.299 1
1 363 . 13 1 1 A 38 38 GLU C C 38 176.107 176.362 -0.255 1
1 366 . 13 1 1 A 39 39 LYS N N 39 123.777 124.765 -0.988 1
1 367 . 13 1 1 A 39 39 LYS H H 39 8.401 8.372 0.029 1
1 368 . 13 1 1 A 39 39 LYS CA C 39 54.099 55.191 -1.092 1
1 369 . 13 1 1 A 39 39 LYS HA H 39 4.599 4.321 0.278 1
1 370 . 13 1 1 A 39 39 LYS CB C 39 32.530 32.361 0.169 1
1 378 . 13 1 1 A 39 39 LYS C C 39 174.452 175.923 -1.471 1
1 383 . 13 1 1 A 40 40 PRO CA C 40 63.195 62.310 0.885 1
1 384 . 13 1 1 A 40 40 PRO HA H 40 4.445 4.641 -0.196 1
1 385 . 13 1 1 A 40 40 PRO CB C 40 32.187 32.789 -0.602 1
1 391 . 13 1 1 A 40 40 PRO C C 40 176.911 176.394 0.517 1
1 395 . 13 1 1 A 41 41 SER N N 41 116.485 115.070 1.415 1
1 396 . 13 1 1 A 41 41 SER H H 41 8.449 8.433 0.016 1
1 397 . 13 1 1 A 41 41 SER CA C 41 58.467 57.963 0.504 1
1 398 . 13 1 1 A 41 41 SER HA H 41 4.468 4.886 -0.418 1
1 399 . 13 1 1 A 41 41 SER CB C 41 63.909 64.138 -0.229 1
1 401 . 13 1 1 A 41 41 SER C C 41 174.617 174.316 0.301 1
1 403 . 13 1 1 A 42 42 GLY N N 42 110.609 110.855 -0.246 1
1 404 . 13 1 1 A 42 42 GLY H H 42 8.216 8.409 -0.193 1
1 405 . 13 1 1 A 42 42 GLY CA C 42 44.673 45.641 -0.968 1
1 406 . 13 1 1 A 42 42 GLY HA3 H 42 4.114 3.972 0.142 1
1 407 . 13 1 1 A 42 42 GLY C C 42 171.713 174.420 -2.707 1
1 408 . 13 1 1 A 42 42 GLY HA2 H 42 4.158 3.972 0.186 1
1 409 . 13 1 1 A 43 43 PRO CA C 43 63.260 62.734 0.526 1
1 410 . 13 1 1 A 43 43 PRO HA H 43 4.484 4.717 -0.233 1
1 411 . 13 1 1 A 43 43 PRO CB C 43 32.216 31.464 0.752 1
1 417 . 13 1 1 A 43 43 PRO C C 43 177.352 175.539 1.813 1
1 421 . 13 1 1 A 44 44 SER N N 44 116.409 119.067 -2.658 1
1 422 . 13 1 1 A 44 44 SER H H 44 8.511 8.660 -0.149 1
1 423 . 13 1 1 A 44 44 SER CA C 44 58.392 56.803 1.589 1
1 424 . 13 1 1 A 44 44 SER HA H 44 4.466 5.093 -0.627 1
1 425 . 13 1 1 A 44 44 SER CB C 44 63.748 65.867 -2.119 1
1 427 . 13 1 1 A 44 44 SER C C 44 174.615 173.594 1.021 1
1 429 . 13 1 1 A 45 45 SER N N 45 117.817 119.393 -1.576 1
1 430 . 13 1 1 A 45 45 SER H H 45 8.303 8.780 -0.477 1
1 431 . 13 1 1 A 45 45 SER CA C 45 58.381 57.228 1.153 1
1 432 . 13 1 1 A 45 45 SER HA H 45 4.452 5.310 -0.858 1
1 433 . 13 1 1 A 45 45 SER CB C 45 64.070 67.509 -3.439 1
1 435 . 13 1 1 A 45 45 SER C C 45 173.885 173.222 0.663 1
1 1 . 14 1 1 A 8 8 HIS CA C 8 56.329 55.350 0.979 1
1 2 . 14 1 1 A 8 8 HIS HA H 8 4.628 4.809 -0.181 1
1 3 . 14 1 1 A 8 8 HIS CB C 8 30.709 29.310 1.399 1
1 10 . 14 1 1 A 9 9 GLY CA C 9 45.330 44.133 1.197 1
1 11 . 14 1 1 A 9 9 GLY HA3 H 9 3.909 3.989 -0.080 1
1 12 . 14 1 1 A 9 9 GLY C C 9 174.145 172.820 1.325 1
1 13 . 14 1 1 A 9 9 GLY HA2 H 9 3.909 3.984 -0.075 1
1 14 . 14 1 1 A 10 10 GLU N N 10 120.846 116.704 4.142 1
1 15 . 14 1 1 A 10 10 GLU H H 10 8.353 9.105 -0.752 1
1 16 . 14 1 1 A 10 10 GLU CA C 10 56.524 54.639 1.885 1
1 17 . 14 1 1 A 10 10 GLU HA H 10 4.225 5.297 -1.072 1
1 18 . 14 1 1 A 10 10 GLU CB C 10 30.384 34.049 -3.665 1
1 22 . 14 1 1 A 10 10 GLU C C 10 176.348 173.957 2.391 1
1 25 . 14 1 1 A 11 11 ARG N N 11 121.539 121.560 -0.021 1
1 26 . 14 1 1 A 11 11 ARG H H 11 8.281 8.822 -0.541 1
1 27 . 14 1 1 A 11 11 ARG CA C 11 56.005 55.170 0.835 1
1 28 . 14 1 1 A 11 11 ARG HA H 11 4.316 5.181 -0.865 1
1 29 . 14 1 1 A 11 11 ARG CB C 11 31.130 33.922 -2.792 1
1 35 . 14 1 1 A 11 11 ARG C C 11 176.001 175.095 0.906 1
1 39 . 14 1 1 A 12 12 GLY N N 12 107.819 112.548 -4.729 1
1 40 . 14 1 1 A 12 12 GLY H H 12 8.075 8.241 -0.166 1
1 41 . 14 1 1 A 12 12 GLY CA C 12 44.814 45.071 -0.257 1
1 42 . 14 1 1 A 12 12 GLY HA3 H 12 4.014 3.991 0.023 1
1 43 . 14 1 1 A 12 12 GLY C C 12 172.193 171.327 0.866 1
1 44 . 14 1 1 A 12 12 GLY HA2 H 12 3.651 3.876 -0.225 1
1 45 . 14 1 1 A 13 13 HIS N N 13 119.279 118.945 0.334 1
1 46 . 14 1 1 A 13 13 HIS H H 13 8.024 7.909 0.115 1
1 47 . 14 1 1 A 13 13 HIS CA C 13 55.118 54.131 0.987 1
1 48 . 14 1 1 A 13 13 HIS HA H 13 4.235 4.830 -0.595 1
1 49 . 14 1 1 A 13 13 HIS CB C 13 31.866 32.049 -0.183 1
1 55 . 14 1 1 A 13 13 HIS C C 13 173.211 173.142 0.069 1
1 57 . 14 1 1 A 14 14 ARG N N 14 124.116 125.350 -1.234 1
1 58 . 14 1 1 A 14 14 ARG H H 14 8.606 8.965 -0.359 1
1 59 . 14 1 1 A 14 14 ARG CA C 14 54.263 54.508 -0.245 1
1 60 . 14 1 1 A 14 14 ARG HA H 14 4.820 5.387 -0.567 1
1 61 . 14 1 1 A 14 14 ARG CB C 14 32.523 32.399 0.124 1
1 67 . 14 1 1 A 14 14 ARG C C 14 175.690 176.505 -0.815 1
1 71 . 14 1 1 A 15 15 CYS N N 15 128.999 125.320 3.679 1
1 72 . 14 1 1 A 15 15 CYS H H 15 9.354 9.322 0.032 1
1 73 . 14 1 1 A 15 15 CYS CA C 15 59.902 59.499 0.403 1
1 74 . 14 1 1 A 15 15 CYS HA H 15 4.843 4.998 -0.155 1
1 75 . 14 1 1 A 15 15 CYS CB C 15 30.080 29.417 0.663 1
1 77 . 14 1 1 A 15 15 CYS C C 15 177.294 174.899 2.395 1
1 79 . 14 1 1 A 16 16 SER CA C 16 61.138 59.909 1.229 1
1 80 . 14 1 1 A 16 16 SER HA H 16 4.245 4.475 -0.230 1
1 81 . 14 1 1 A 16 16 SER CB C 16 63.060 64.108 -1.048 1
1 83 . 14 1 1 A 16 16 SER C C 16 174.763 176.158 -1.395 1
1 85 . 14 1 1 A 17 17 ASP N N 17 121.918 122.175 -0.257 1
1 86 . 14 1 1 A 17 17 ASP H H 17 8.415 7.748 0.667 1
1 87 . 14 1 1 A 17 17 ASP CA C 17 57.173 57.135 0.038 1
1 88 . 14 1 1 A 17 17 ASP HA H 17 4.602 4.178 0.424 1
1 89 . 14 1 1 A 17 17 ASP CB C 17 41.250 39.395 1.855 1
1 91 . 14 1 1 A 17 17 ASP C C 17 176.420 177.629 -1.209 1
1 93 . 14 1 1 A 18 18 CYS N N 18 114.553 113.949 0.604 1
1 94 . 14 1 1 A 18 18 CYS H H 18 7.796 7.422 0.374 1
1 95 . 14 1 1 A 18 18 CYS CA C 18 58.608 59.594 -0.986 1
1 96 . 14 1 1 A 18 18 CYS HA H 18 5.206 4.617 0.589 1
1 97 . 14 1 1 A 18 18 CYS CB C 18 32.187 29.833 2.354 1
1 99 . 14 1 1 A 18 18 CYS C C 18 176.107 175.474 0.633 1
1 101 . 14 1 1 A 19 19 GLY N N 19 113.601 110.458 3.143 1
1 102 . 14 1 1 A 19 19 GLY H H 19 8.268 8.292 -0.024 1
1 103 . 14 1 1 A 19 19 GLY CA C 19 46.294 45.407 0.887 1
1 104 . 14 1 1 A 19 19 GLY HA3 H 19 4.251 4.137 0.114 1
1 105 . 14 1 1 A 19 19 GLY C C 19 173.687 174.612 -0.925 1
1 106 . 14 1 1 A 19 19 GLY HA2 H 19 3.794 4.104 -0.310 1
1 107 . 14 1 1 A 20 20 LYS N N 20 121.922 119.303 2.619 1
1 108 . 14 1 1 A 20 20 LYS H H 20 7.833 8.063 -0.230 1
1 109 . 14 1 1 A 20 20 LYS CA C 20 58.157 56.026 2.131 1
1 110 . 14 1 1 A 20 20 LYS HA H 20 4.133 4.701 -0.568 1
1 111 . 14 1 1 A 20 20 LYS CB C 20 34.348 34.578 -0.230 1
1 119 . 14 1 1 A 20 20 LYS C C 20 174.006 175.376 -1.370 1
1 124 . 14 1 1 A 21 21 PHE N N 21 121.592 122.726 -1.134 1
1 125 . 14 1 1 A 21 21 PHE H H 21 8.197 8.731 -0.534 1
1 126 . 14 1 1 A 21 21 PHE CA C 21 57.064 56.725 0.339 1
1 127 . 14 1 1 A 21 21 PHE HA H 21 5.118 5.628 -0.510 1
1 128 . 14 1 1 A 21 21 PHE CB C 21 42.295 43.222 -0.927 1
1 140 . 14 1 1 A 21 21 PHE C C 21 174.756 173.306 1.450 1
1 142 . 14 1 1 A 22 22 PHE N N 22 122.744 122.721 0.023 1
1 143 . 14 1 1 A 22 22 PHE H H 22 8.535 7.723 0.812 1
1 144 . 14 1 1 A 22 22 PHE CA C 22 56.937 56.309 0.628 1
1 145 . 14 1 1 A 22 22 PHE HA H 22 4.467 4.973 -0.506 1
1 146 . 14 1 1 A 22 22 PHE CB C 22 42.745 44.251 -1.506 1
1 158 . 14 1 1 A 22 22 PHE C C 22 174.570 174.901 -0.331 1
1 160 . 14 1 1 A 23 23 LEU N N 23 124.547 120.431 4.116 1
1 161 . 14 1 1 A 23 23 LEU H H 23 8.632 8.460 0.172 1
1 162 . 14 1 1 A 23 23 LEU CA C 23 57.016 55.606 1.410 1
1 163 . 14 1 1 A 23 23 LEU HA H 23 4.190 4.432 -0.242 1
1 164 . 14 1 1 A 23 23 LEU CB C 23 43.006 43.774 -0.768 1
1 176 . 14 1 1 A 23 23 LEU C C 23 177.399 176.261 1.138 1
1 178 . 14 1 1 A 24 24 GLN N N 24 115.779 118.047 -2.268 1
1 179 . 14 1 1 A 24 24 GLN H H 24 8.246 7.631 0.615 1
1 180 . 14 1 1 A 24 24 GLN CA C 24 54.687 55.077 -0.390 1
1 181 . 14 1 1 A 24 24 GLN HA H 24 4.787 4.651 0.136 1
1 182 . 14 1 1 A 24 24 GLN CB C 24 29.974 29.889 0.085 1
1 189 . 14 1 1 A 24 24 GLN C C 24 176.712 176.212 0.500 1
1 192 . 14 1 1 A 25 25 ALA CA C 25 55.575 55.667 -0.092 1
1 193 . 14 1 1 A 25 25 ALA HA H 25 3.542 3.666 -0.124 1
1 194 . 14 1 1 A 25 25 ALA CB C 25 18.019 18.333 -0.314 1
1 198 . 14 1 1 A 25 25 ALA C C 25 179.282 179.555 -0.273 1
1 199 . 14 1 1 A 26 26 SER N N 26 111.647 112.559 -0.912 1
1 200 . 14 1 1 A 26 26 SER H H 26 8.886 8.461 0.425 1
1 201 . 14 1 1 A 26 26 SER CA C 26 61.362 61.369 -0.007 1
1 202 . 14 1 1 A 26 26 SER HA H 26 4.039 4.185 -0.146 1
1 203 . 14 1 1 A 26 26 SER CB C 26 61.561 62.836 -1.275 1
1 205 . 14 1 1 A 26 26 SER C C 26 177.406 177.261 0.145 1
1 207 . 14 1 1 A 27 27 ASN N N 27 119.503 119.673 -0.170 1
1 208 . 14 1 1 A 27 27 ASN H H 27 7.021 8.324 -1.303 1
1 209 . 14 1 1 A 27 27 ASN CA C 27 55.428 56.454 -1.026 1
1 210 . 14 1 1 A 27 27 ASN HA H 27 4.575 4.427 0.148 1
1 211 . 14 1 1 A 27 27 ASN CB C 27 38.410 37.835 0.575 1
1 216 . 14 1 1 A 27 27 ASN C C 27 177.285 178.076 -0.791 1
1 218 . 14 1 1 A 28 28 PHE N N 28 123.068 122.080 0.988 1
1 219 . 14 1 1 A 28 28 PHE H H 28 7.786 8.408 -0.622 1
1 220 . 14 1 1 A 28 28 PHE CA C 28 60.488 60.319 0.169 1
1 221 . 14 1 1 A 28 28 PHE HA H 28 3.240 3.122 0.118 1
1 222 . 14 1 1 A 28 28 PHE CB C 28 38.809 38.884 -0.075 1
1 234 . 14 1 1 A 28 28 PHE C C 28 175.850 176.743 -0.893 1
1 236 . 14 1 1 A 29 29 ILE N N 29 119.421 119.716 -0.295 1
1 237 . 14 1 1 A 29 29 ILE H H 29 8.501 8.263 0.238 1
1 238 . 14 1 1 A 29 29 ILE CA C 29 64.558 64.565 -0.007 1
1 239 . 14 1 1 A 29 29 ILE HA H 29 3.221 3.359 -0.138 1
1 240 . 14 1 1 A 29 29 ILE CB C 29 37.818 37.222 0.596 1
1 252 . 14 1 1 A 29 29 ILE C C 29 178.885 178.694 0.191 1
1 254 . 14 1 1 A 30 30 GLN N N 30 117.482 117.628 -0.146 1
1 255 . 14 1 1 A 30 30 GLN H H 30 7.343 8.035 -0.692 1
1 256 . 14 1 1 A 30 30 GLN CA C 30 58.656 57.718 0.938 1
1 257 . 14 1 1 A 30 30 GLN HA H 30 3.885 4.079 -0.194 1
1 258 . 14 1 1 A 30 30 GLN CB C 30 28.460 28.393 0.067 1
1 265 . 14 1 1 A 30 30 GLN C C 30 178.347 177.383 0.964 1
1 268 . 14 1 1 A 31 31 HIS N N 31 119.125 120.624 -1.499 1
1 269 . 14 1 1 A 31 31 HIS H H 31 7.738 7.761 -0.023 1
1 270 . 14 1 1 A 31 31 HIS CA C 31 59.348 58.636 0.712 1
1 271 . 14 1 1 A 31 31 HIS HA H 31 4.052 4.236 -0.184 1
1 272 . 14 1 1 A 31 31 HIS CB C 31 28.129 29.991 -1.862 1
1 278 . 14 1 1 A 31 31 HIS C C 31 176.394 176.925 -0.531 1
1 280 . 14 1 1 A 32 32 ARG N N 32 115.404 118.143 -2.739 1
1 281 . 14 1 1 A 32 32 ARG H H 32 7.920 7.510 0.410 1
1 282 . 14 1 1 A 32 32 ARG CA C 32 58.191 58.087 0.104 1
1 283 . 14 1 1 A 32 32 ARG HA H 32 3.510 4.011 -0.501 1
1 284 . 14 1 1 A 32 32 ARG CB C 32 28.088 29.741 -1.653 1
1 290 . 14 1 1 A 32 32 ARG C C 32 177.828 178.025 -0.197 1
1 294 . 14 1 1 A 33 33 ARG N N 33 116.284 118.232 -1.948 1
1 295 . 14 1 1 A 33 33 ARG H H 33 7.025 7.784 -0.759 1
1 296 . 14 1 1 A 33 33 ARG CA C 33 58.538 59.071 -0.533 1
1 297 . 14 1 1 A 33 33 ARG HA H 33 4.094 3.981 0.113 1
1 298 . 14 1 1 A 33 33 ARG CB C 33 29.994 30.340 -0.346 1
1 304 . 14 1 1 A 33 33 ARG C C 33 178.632 178.924 -0.292 1
1 308 . 14 1 1 A 34 34 ILE N N 34 116.774 116.906 -0.132 1
1 309 . 14 1 1 A 34 34 ILE H H 34 7.715 7.581 0.134 1
1 310 . 14 1 1 A 34 34 ILE CA C 34 63.294 64.086 -0.792 1
1 311 . 14 1 1 A 34 34 ILE HA H 34 3.886 3.709 0.177 1
1 312 . 14 1 1 A 34 34 ILE CB C 34 37.481 37.267 0.214 1
1 324 . 14 1 1 A 34 34 ILE C C 34 177.422 177.334 0.088 1
1 326 . 14 1 1 A 35 35 HIS N N 35 117.061 119.809 -2.748 1
1 327 . 14 1 1 A 35 35 HIS H H 35 7.143 7.391 -0.248 1
1 328 . 14 1 1 A 35 35 HIS CA C 35 55.554 59.290 -3.736 1
1 329 . 14 1 1 A 35 35 HIS HA H 35 4.798 4.296 0.502 1
1 330 . 14 1 1 A 35 35 HIS CB C 35 28.994 30.603 -1.609 1
1 336 . 14 1 1 A 35 35 HIS C C 35 176.009 175.404 0.605 1
1 338 . 14 1 1 A 36 36 THR N N 36 110.946 109.637 1.309 1
1 339 . 14 1 1 A 36 36 THR H H 36 7.834 7.910 -0.076 1
1 340 . 14 1 1 A 36 36 THR CA C 36 62.550 62.885 -0.335 1
1 341 . 14 1 1 A 36 36 THR HA H 36 4.312 4.180 0.132 1
1 342 . 14 1 1 A 36 36 THR CB C 36 69.804 68.539 1.265 1
1 348 . 14 1 1 A 36 36 THR C C 36 175.635 174.966 0.669 1
1 349 . 14 1 1 A 37 37 GLY N N 37 110.649 113.239 -2.590 1
1 350 . 14 1 1 A 37 37 GLY H H 37 8.196 8.566 -0.370 1
1 351 . 14 1 1 A 37 37 GLY CA C 37 45.414 45.442 -0.028 1
1 352 . 14 1 1 A 37 37 GLY HA3 H 37 3.920 4.010 -0.090 1
1 353 . 14 1 1 A 37 37 GLY C C 37 174.050 174.278 -0.228 1
1 354 . 14 1 1 A 37 37 GLY HA2 H 37 4.016 4.006 0.010 1
1 355 . 14 1 1 A 38 38 GLU N N 38 120.504 121.429 -0.925 1
1 356 . 14 1 1 A 38 38 GLU H H 38 8.039 7.370 0.669 1
1 357 . 14 1 1 A 38 38 GLU CA C 38 56.537 54.513 2.024 1
1 358 . 14 1 1 A 38 38 GLU HA H 38 4.215 4.669 -0.454 1
1 359 . 14 1 1 A 38 38 GLU CB C 38 30.588 32.474 -1.886 1
1 363 . 14 1 1 A 38 38 GLU C C 38 176.107 175.512 0.595 1
1 366 . 14 1 1 A 39 39 LYS N N 39 123.777 123.738 0.039 1
1 367 . 14 1 1 A 39 39 LYS H H 39 8.401 8.254 0.147 1
1 368 . 14 1 1 A 39 39 LYS CA C 39 54.099 55.373 -1.274 1
1 369 . 14 1 1 A 39 39 LYS HA H 39 4.599 4.250 0.349 1
1 370 . 14 1 1 A 39 39 LYS CB C 39 32.530 32.133 0.397 1
1 378 . 14 1 1 A 39 39 LYS C C 39 174.452 175.049 -0.597 1
1 383 . 14 1 1 A 40 40 PRO CA C 40 63.195 62.280 0.915 1
1 384 . 14 1 1 A 40 40 PRO HA H 40 4.445 4.540 -0.095 1
1 385 . 14 1 1 A 40 40 PRO CB C 40 32.187 33.129 -0.942 1
1 391 . 14 1 1 A 40 40 PRO C C 40 176.911 176.713 0.198 1
1 395 . 14 1 1 A 41 41 SER N N 41 116.485 115.473 1.012 1
1 396 . 14 1 1 A 41 41 SER H H 41 8.449 8.809 -0.360 1
1 397 . 14 1 1 A 41 41 SER CA C 41 58.467 62.147 -3.680 1
1 398 . 14 1 1 A 41 41 SER HA H 41 4.468 4.178 0.290 1
1 399 . 14 1 1 A 41 41 SER CB C 41 63.909 63.001 0.908 1
1 401 . 14 1 1 A 41 41 SER C C 41 174.617 175.738 -1.121 1
1 403 . 14 1 1 A 42 42 GLY N N 42 110.609 105.279 5.330 1
1 404 . 14 1 1 A 42 42 GLY H H 42 8.216 7.674 0.542 1
1 405 . 14 1 1 A 42 42 GLY CA C 42 44.673 45.456 -0.783 1
1 406 . 14 1 1 A 42 42 GLY HA3 H 42 4.114 4.344 -0.230 1
1 407 . 14 1 1 A 42 42 GLY C C 42 171.713 171.586 0.127 1
1 408 . 14 1 1 A 42 42 GLY HA2 H 42 4.158 4.344 -0.186 1
1 409 . 14 1 1 A 43 43 PRO CA C 43 63.260 62.484 0.776 1
1 410 . 14 1 1 A 43 43 PRO HA H 43 4.484 4.598 -0.114 1
1 411 . 14 1 1 A 43 43 PRO CB C 43 32.216 32.965 -0.749 1
1 417 . 14 1 1 A 43 43 PRO C C 43 177.352 175.955 1.397 1
1 421 . 14 1 1 A 44 44 SER N N 44 116.409 116.713 -0.304 1
1 422 . 14 1 1 A 44 44 SER H H 44 8.511 8.465 0.046 1
1 423 . 14 1 1 A 44 44 SER CA C 44 58.392 57.526 0.866 1
1 424 . 14 1 1 A 44 44 SER HA H 44 4.466 4.949 -0.483 1
1 425 . 14 1 1 A 44 44 SER CB C 44 63.748 64.721 -0.973 1
1 427 . 14 1 1 A 44 44 SER C C 44 174.615 173.865 0.750 1
1 429 . 14 1 1 A 45 45 SER N N 45 117.817 118.174 -0.357 1
1 430 . 14 1 1 A 45 45 SER H H 45 8.303 8.876 -0.573 1
1 431 . 14 1 1 A 45 45 SER CA C 45 58.381 56.709 1.672 1
1 432 . 14 1 1 A 45 45 SER HA H 45 4.452 5.304 -0.852 1
1 433 . 14 1 1 A 45 45 SER CB C 45 64.070 66.433 -2.363 1
1 435 . 14 1 1 A 45 45 SER C C 45 173.885 172.964 0.921 1
1 1 . 15 1 1 A 8 8 HIS CA C 8 56.329 57.283 -0.954 1
1 2 . 15 1 1 A 8 8 HIS HA H 8 4.628 4.651 -0.023 1
1 3 . 15 1 1 A 8 8 HIS CB C 8 30.709 31.794 -1.085 1
1 10 . 15 1 1 A 9 9 GLY CA C 9 45.330 44.932 0.398 1
1 11 . 15 1 1 A 9 9 GLY HA3 H 9 3.909 4.114 -0.205 1
1 12 . 15 1 1 A 9 9 GLY C C 9 174.145 171.256 2.889 1
1 13 . 15 1 1 A 9 9 GLY HA2 H 9 3.909 4.104 -0.195 1
1 14 . 15 1 1 A 10 10 GLU N N 10 120.846 121.237 -0.391 1
1 15 . 15 1 1 A 10 10 GLU H H 10 8.353 8.581 -0.228 1
1 16 . 15 1 1 A 10 10 GLU CA C 10 56.524 55.893 0.631 1
1 17 . 15 1 1 A 10 10 GLU HA H 10 4.225 5.009 -0.784 1
1 18 . 15 1 1 A 10 10 GLU CB C 10 30.384 34.010 -3.626 1
1 22 . 15 1 1 A 10 10 GLU C C 10 176.348 174.003 2.345 1
1 25 . 15 1 1 A 11 11 ARG N N 11 121.539 126.798 -5.259 1
1 26 . 15 1 1 A 11 11 ARG H H 11 8.281 8.698 -0.417 1
1 27 . 15 1 1 A 11 11 ARG CA C 11 56.005 54.748 1.257 1
1 28 . 15 1 1 A 11 11 ARG HA H 11 4.316 5.206 -0.890 1
1 29 . 15 1 1 A 11 11 ARG CB C 11 31.130 33.861 -2.731 1
1 35 . 15 1 1 A 11 11 ARG C C 11 176.001 174.879 1.122 1
1 39 . 15 1 1 A 12 12 GLY N N 12 107.819 112.036 -4.217 1
1 40 . 15 1 1 A 12 12 GLY H H 12 8.075 8.074 0.001 1
1 41 . 15 1 1 A 12 12 GLY CA C 12 44.814 44.168 0.646 1
1 42 . 15 1 1 A 12 12 GLY HA3 H 12 4.014 3.899 0.115 1
1 43 . 15 1 1 A 12 12 GLY C C 12 172.193 171.797 0.396 1
1 44 . 15 1 1 A 12 12 GLY HA2 H 12 3.651 3.767 -0.116 1
1 45 . 15 1 1 A 13 13 HIS N N 13 119.279 117.799 1.480 1
1 46 . 15 1 1 A 13 13 HIS H H 13 8.024 7.977 0.047 1
1 47 . 15 1 1 A 13 13 HIS CA C 13 55.118 54.127 0.991 1
1 48 . 15 1 1 A 13 13 HIS HA H 13 4.235 4.782 -0.547 1
1 49 . 15 1 1 A 13 13 HIS CB C 13 31.866 32.140 -0.274 1
1 55 . 15 1 1 A 13 13 HIS C C 13 173.211 173.237 -0.026 1
1 57 . 15 1 1 A 14 14 ARG N N 14 124.116 125.127 -1.011 1
1 58 . 15 1 1 A 14 14 ARG H H 14 8.606 8.993 -0.387 1
1 59 . 15 1 1 A 14 14 ARG CA C 14 54.263 54.596 -0.333 1
1 60 . 15 1 1 A 14 14 ARG HA H 14 4.820 5.471 -0.651 1
1 61 . 15 1 1 A 14 14 ARG CB C 14 32.523 32.590 -0.067 1
1 67 . 15 1 1 A 14 14 ARG C C 14 175.690 176.492 -0.802 1
1 71 . 15 1 1 A 15 15 CYS N N 15 128.999 125.340 3.659 1
1 72 . 15 1 1 A 15 15 CYS H H 15 9.354 9.258 0.096 1
1 73 . 15 1 1 A 15 15 CYS CA C 15 59.902 59.472 0.430 1
1 74 . 15 1 1 A 15 15 CYS HA H 15 4.843 4.948 -0.105 1
1 75 . 15 1 1 A 15 15 CYS CB C 15 30.080 29.275 0.805 1
1 77 . 15 1 1 A 15 15 CYS C C 15 177.294 174.874 2.420 1
1 79 . 15 1 1 A 16 16 SER CA C 16 61.138 59.909 1.229 1
1 80 . 15 1 1 A 16 16 SER HA H 16 4.245 4.473 -0.228 1
1 81 . 15 1 1 A 16 16 SER CB C 16 63.060 64.205 -1.145 1
1 83 . 15 1 1 A 16 16 SER C C 16 174.763 175.638 -0.875 1
1 85 . 15 1 1 A 17 17 ASP N N 17 121.918 121.072 0.846 1
1 86 . 15 1 1 A 17 17 ASP H H 17 8.415 7.610 0.805 1
1 87 . 15 1 1 A 17 17 ASP CA C 17 57.173 57.552 -0.379 1
1 88 . 15 1 1 A 17 17 ASP HA H 17 4.602 4.152 0.450 1
1 89 . 15 1 1 A 17 17 ASP CB C 17 41.250 40.835 0.415 1
1 91 . 15 1 1 A 17 17 ASP C C 17 176.420 177.507 -1.087 1
1 93 . 15 1 1 A 18 18 CYS N N 18 114.553 114.494 0.059 1
1 94 . 15 1 1 A 18 18 CYS H H 18 7.796 7.363 0.433 1
1 95 . 15 1 1 A 18 18 CYS CA C 18 58.608 59.655 -1.047 1
1 96 . 15 1 1 A 18 18 CYS HA H 18 5.206 4.620 0.586 1
1 97 . 15 1 1 A 18 18 CYS CB C 18 32.187 29.536 2.651 1
1 99 . 15 1 1 A 18 18 CYS C C 18 176.107 175.521 0.586 1
1 101 . 15 1 1 A 19 19 GLY N N 19 113.601 110.459 3.142 1
1 102 . 15 1 1 A 19 19 GLY H H 19 8.268 8.294 -0.026 1
1 103 . 15 1 1 A 19 19 GLY CA C 19 46.294 45.830 0.464 1
1 104 . 15 1 1 A 19 19 GLY HA3 H 19 4.251 4.095 0.156 1
1 105 . 15 1 1 A 19 19 GLY C C 19 173.687 174.409 -0.722 1
1 106 . 15 1 1 A 19 19 GLY HA2 H 19 3.794 4.062 -0.268 1
1 107 . 15 1 1 A 20 20 LYS N N 20 121.922 119.141 2.781 1
1 108 . 15 1 1 A 20 20 LYS H H 20 7.833 8.014 -0.181 1
1 109 . 15 1 1 A 20 20 LYS CA C 20 58.157 55.392 2.765 1
1 110 . 15 1 1 A 20 20 LYS HA H 20 4.133 4.787 -0.654 1
1 111 . 15 1 1 A 20 20 LYS CB C 20 34.348 34.590 -0.242 1
1 119 . 15 1 1 A 20 20 LYS C C 20 174.006 175.303 -1.297 1
1 124 . 15 1 1 A 21 21 PHE N N 21 121.592 122.730 -1.138 1
1 125 . 15 1 1 A 21 21 PHE H H 21 8.197 8.731 -0.534 1
1 126 . 15 1 1 A 21 21 PHE CA C 21 57.064 56.577 0.487 1
1 127 . 15 1 1 A 21 21 PHE HA H 21 5.118 5.600 -0.482 1
1 128 . 15 1 1 A 21 21 PHE CB C 21 42.295 43.173 -0.878 1
1 140 . 15 1 1 A 21 21 PHE C C 21 174.756 173.281 1.475 1
1 142 . 15 1 1 A 22 22 PHE N N 22 122.744 123.362 -0.618 1
1 143 . 15 1 1 A 22 22 PHE H H 22 8.535 7.962 0.573 1
1 144 . 15 1 1 A 22 22 PHE CA C 22 56.937 56.295 0.642 1
1 145 . 15 1 1 A 22 22 PHE HA H 22 4.467 4.946 -0.479 1
1 146 . 15 1 1 A 22 22 PHE CB C 22 42.745 43.915 -1.170 1
1 158 . 15 1 1 A 22 22 PHE C C 22 174.570 174.872 -0.302 1
1 160 . 15 1 1 A 23 23 LEU N N 23 124.547 121.080 3.467 1
1 161 . 15 1 1 A 23 23 LEU H H 23 8.632 8.486 0.146 1
1 162 . 15 1 1 A 23 23 LEU CA C 23 57.016 55.441 1.575 1
1 163 . 15 1 1 A 23 23 LEU HA H 23 4.190 4.423 -0.233 1
1 164 . 15 1 1 A 23 23 LEU CB C 23 43.006 43.642 -0.636 1
1 176 . 15 1 1 A 23 23 LEU C C 23 177.399 176.388 1.011 1
1 178 . 15 1 1 A 24 24 GLN N N 24 115.779 118.368 -2.589 1
1 179 . 15 1 1 A 24 24 GLN H H 24 8.246 7.603 0.643 1
1 180 . 15 1 1 A 24 24 GLN CA C 24 54.687 55.061 -0.374 1
1 181 . 15 1 1 A 24 24 GLN HA H 24 4.787 4.632 0.155 1
1 182 . 15 1 1 A 24 24 GLN CB C 24 29.974 29.643 0.331 1
1 189 . 15 1 1 A 24 24 GLN C C 24 176.712 176.131 0.581 1
1 192 . 15 1 1 A 25 25 ALA CA C 25 55.575 55.653 -0.078 1
1 193 . 15 1 1 A 25 25 ALA HA H 25 3.542 3.711 -0.169 1
1 194 . 15 1 1 A 25 25 ALA CB C 25 18.019 18.366 -0.347 1
1 198 . 15 1 1 A 25 25 ALA C C 25 179.282 179.535 -0.253 1
1 199 . 15 1 1 A 26 26 SER N N 26 111.647 112.564 -0.917 1
1 200 . 15 1 1 A 26 26 SER H H 26 8.886 8.390 0.496 1
1 201 . 15 1 1 A 26 26 SER CA C 26 61.362 61.431 -0.069 1
1 202 . 15 1 1 A 26 26 SER HA H 26 4.039 4.211 -0.172 1
1 203 . 15 1 1 A 26 26 SER CB C 26 61.561 62.445 -0.884 1
1 205 . 15 1 1 A 26 26 SER C C 26 177.406 177.277 0.129 1
1 207 . 15 1 1 A 27 27 ASN N N 27 119.503 119.868 -0.365 1
1 208 . 15 1 1 A 27 27 ASN H H 27 7.021 8.311 -1.290 1
1 209 . 15 1 1 A 27 27 ASN CA C 27 55.428 56.401 -0.973 1
1 210 . 15 1 1 A 27 27 ASN HA H 27 4.575 4.427 0.148 1
1 211 . 15 1 1 A 27 27 ASN CB C 27 38.410 37.816 0.594 1
1 216 . 15 1 1 A 27 27 ASN C C 27 177.285 178.113 -0.828 1
1 218 . 15 1 1 A 28 28 PHE N N 28 123.068 121.976 1.092 1
1 219 . 15 1 1 A 28 28 PHE H H 28 7.786 8.119 -0.333 1
1 220 . 15 1 1 A 28 28 PHE CA C 28 60.488 60.255 0.233 1
1 221 . 15 1 1 A 28 28 PHE HA H 28 3.240 3.239 0.001 1
1 222 . 15 1 1 A 28 28 PHE CB C 28 38.809 39.014 -0.205 1
1 234 . 15 1 1 A 28 28 PHE C C 28 175.850 176.882 -1.032 1
1 236 . 15 1 1 A 29 29 ILE N N 29 119.421 119.590 -0.169 1
1 237 . 15 1 1 A 29 29 ILE H H 29 8.501 7.942 0.559 1
1 238 . 15 1 1 A 29 29 ILE CA C 29 64.558 64.302 0.256 1
1 239 . 15 1 1 A 29 29 ILE HA H 29 3.221 3.444 -0.223 1
1 240 . 15 1 1 A 29 29 ILE CB C 29 37.818 37.395 0.423 1
1 252 . 15 1 1 A 29 29 ILE C C 29 178.885 178.782 0.103 1
1 254 . 15 1 1 A 30 30 GLN N N 30 117.482 117.619 -0.137 1
1 255 . 15 1 1 A 30 30 GLN H H 30 7.343 7.902 -0.559 1
1 256 . 15 1 1 A 30 30 GLN CA C 30 58.656 57.712 0.944 1
1 257 . 15 1 1 A 30 30 GLN HA H 30 3.885 4.088 -0.203 1
1 258 . 15 1 1 A 30 30 GLN CB C 30 28.460 28.405 0.055 1
1 265 . 15 1 1 A 30 30 GLN C C 30 178.347 177.388 0.959 1
1 268 . 15 1 1 A 31 31 HIS N N 31 119.125 120.577 -1.452 1
1 269 . 15 1 1 A 31 31 HIS H H 31 7.738 7.885 -0.147 1
1 270 . 15 1 1 A 31 31 HIS CA C 31 59.348 58.660 0.688 1
1 271 . 15 1 1 A 31 31 HIS HA H 31 4.052 4.231 -0.179 1
1 272 . 15 1 1 A 31 31 HIS CB C 31 28.129 29.872 -1.743 1
1 278 . 15 1 1 A 31 31 HIS C C 31 176.394 177.032 -0.638 1
1 280 . 15 1 1 A 32 32 ARG N N 32 115.404 118.195 -2.791 1
1 281 . 15 1 1 A 32 32 ARG H H 32 7.920 7.595 0.325 1
1 282 . 15 1 1 A 32 32 ARG CA C 32 58.191 58.236 -0.045 1
1 283 . 15 1 1 A 32 32 ARG HA H 32 3.510 3.990 -0.480 1
1 284 . 15 1 1 A 32 32 ARG CB C 32 28.088 29.837 -1.749 1
1 290 . 15 1 1 A 32 32 ARG C C 32 177.828 178.273 -0.445 1
1 294 . 15 1 1 A 33 33 ARG N N 33 116.284 118.069 -1.785 1
1 295 . 15 1 1 A 33 33 ARG H H 33 7.025 7.741 -0.716 1
1 296 . 15 1 1 A 33 33 ARG CA C 33 58.538 59.153 -0.615 1
1 297 . 15 1 1 A 33 33 ARG HA H 33 4.094 4.006 0.088 1
1 298 . 15 1 1 A 33 33 ARG CB C 33 29.994 30.148 -0.154 1
1 304 . 15 1 1 A 33 33 ARG C C 33 178.632 178.977 -0.345 1
1 308 . 15 1 1 A 34 34 ILE N N 34 116.774 116.969 -0.195 1
1 309 . 15 1 1 A 34 34 ILE H H 34 7.715 7.614 0.101 1
1 310 . 15 1 1 A 34 34 ILE CA C 34 63.294 64.081 -0.787 1
1 311 . 15 1 1 A 34 34 ILE HA H 34 3.886 3.720 0.166 1
1 312 . 15 1 1 A 34 34 ILE CB C 34 37.481 37.236 0.245 1
1 324 . 15 1 1 A 34 34 ILE C C 34 177.422 177.359 0.063 1
1 326 . 15 1 1 A 35 35 HIS N N 35 117.061 119.999 -2.938 1
1 327 . 15 1 1 A 35 35 HIS H H 35 7.143 7.396 -0.253 1
1 328 . 15 1 1 A 35 35 HIS CA C 35 55.554 58.962 -3.408 1
1 329 . 15 1 1 A 35 35 HIS HA H 35 4.798 4.257 0.541 1
1 330 . 15 1 1 A 35 35 HIS CB C 35 28.994 30.526 -1.532 1
1 336 . 15 1 1 A 35 35 HIS C C 35 176.009 175.246 0.763 1
1 338 . 15 1 1 A 36 36 THR N N 36 110.946 111.715 -0.769 1
1 339 . 15 1 1 A 36 36 THR H H 36 7.834 7.915 -0.081 1
1 340 . 15 1 1 A 36 36 THR CA C 36 62.550 61.791 0.759 1
1 341 . 15 1 1 A 36 36 THR HA H 36 4.312 4.222 0.090 1
1 342 . 15 1 1 A 36 36 THR CB C 36 69.804 70.413 -0.609 1
1 348 . 15 1 1 A 36 36 THR C C 36 175.635 173.931 1.704 1
1 349 . 15 1 1 A 37 37 GLY N N 37 110.649 108.202 2.447 1
1 350 . 15 1 1 A 37 37 GLY H H 37 8.196 8.509 -0.313 1
1 351 . 15 1 1 A 37 37 GLY CA C 37 45.414 43.692 1.722 1
1 352 . 15 1 1 A 37 37 GLY HA3 H 37 3.920 4.132 -0.212 1
1 353 . 15 1 1 A 37 37 GLY C C 37 174.050 172.427 1.623 1
1 354 . 15 1 1 A 37 37 GLY HA2 H 37 4.016 4.132 -0.116 1
1 355 . 15 1 1 A 38 38 GLU N N 38 120.504 121.244 -0.740 1
1 356 . 15 1 1 A 38 38 GLU H H 38 8.039 8.434 -0.395 1
1 357 . 15 1 1 A 38 38 GLU CA C 38 56.537 55.915 0.622 1
1 358 . 15 1 1 A 38 38 GLU HA H 38 4.215 4.631 -0.416 1
1 359 . 15 1 1 A 38 38 GLU CB C 38 30.588 30.458 0.130 1
1 363 . 15 1 1 A 38 38 GLU C C 38 176.107 175.529 0.578 1
1 366 . 15 1 1 A 39 39 LYS N N 39 123.777 126.618 -2.841 1
1 367 . 15 1 1 A 39 39 LYS H H 39 8.401 8.647 -0.246 1
1 368 . 15 1 1 A 39 39 LYS CA C 39 54.099 52.983 1.116 1
1 369 . 15 1 1 A 39 39 LYS HA H 39 4.599 4.775 -0.176 1
1 370 . 15 1 1 A 39 39 LYS CB C 39 32.530 33.945 -1.415 1
1 378 . 15 1 1 A 39 39 LYS C C 39 174.452 173.992 0.460 1
1 383 . 15 1 1 A 40 40 PRO CA C 40 63.195 62.926 0.269 1
1 384 . 15 1 1 A 40 40 PRO HA H 40 4.445 4.426 0.019 1
1 385 . 15 1 1 A 40 40 PRO CB C 40 32.187 31.979 0.208 1
1 391 . 15 1 1 A 40 40 PRO C C 40 176.911 176.610 0.301 1
1 395 . 15 1 1 A 41 41 SER N N 41 116.485 118.400 -1.915 1
1 396 . 15 1 1 A 41 41 SER H H 41 8.449 8.532 -0.083 1
1 397 . 15 1 1 A 41 41 SER CA C 41 58.467 59.913 -1.446 1
1 398 . 15 1 1 A 41 41 SER HA H 41 4.468 4.209 0.259 1
1 399 . 15 1 1 A 41 41 SER CB C 41 63.909 62.687 1.222 1
1 401 . 15 1 1 A 41 41 SER C C 41 174.617 175.047 -0.430 1
1 403 . 15 1 1 A 42 42 GLY N N 42 110.609 114.592 -3.983 1
1 404 . 15 1 1 A 42 42 GLY H H 42 8.216 8.649 -0.433 1
1 405 . 15 1 1 A 42 42 GLY CA C 42 44.673 45.376 -0.703 1
1 406 . 15 1 1 A 42 42 GLY HA3 H 42 4.114 4.060 0.054 1
1 407 . 15 1 1 A 42 42 GLY C C 42 171.713 174.118 -2.405 1
1 408 . 15 1 1 A 42 42 GLY HA2 H 42 4.158 4.060 0.098 1
1 409 . 15 1 1 A 43 43 PRO CA C 43 63.260 62.530 0.730 1
1 410 . 15 1 1 A 43 43 PRO HA H 43 4.484 4.642 -0.158 1
1 411 . 15 1 1 A 43 43 PRO CB C 43 32.216 30.164 2.052 1
1 417 . 15 1 1 A 43 43 PRO C C 43 177.352 175.588 1.764 1
1 421 . 15 1 1 A 44 44 SER N N 44 116.409 114.206 2.203 1
1 422 . 15 1 1 A 44 44 SER H H 44 8.511 8.021 0.490 1
1 423 . 15 1 1 A 44 44 SER CA C 44 58.392 57.444 0.948 1
1 424 . 15 1 1 A 44 44 SER HA H 44 4.466 4.944 -0.478 1
1 425 . 15 1 1 A 44 44 SER CB C 44 63.748 65.825 -2.077 1
1 427 . 15 1 1 A 44 44 SER C C 44 174.615 173.066 1.549 1
1 429 . 15 1 1 A 45 45 SER N N 45 117.817 115.880 1.937 1
1 430 . 15 1 1 A 45 45 SER H H 45 8.303 8.520 -0.217 1
1 431 . 15 1 1 A 45 45 SER CA C 45 58.381 57.606 0.775 1
1 432 . 15 1 1 A 45 45 SER HA H 45 4.452 4.833 -0.381 1
1 433 . 15 1 1 A 45 45 SER CB C 45 64.070 65.685 -1.615 1
1 435 . 15 1 1 A 45 45 SER C C 45 173.885 174.679 -0.794 1
1 1 . 16 1 1 A 8 8 HIS CA C 8 56.329 58.662 -2.333 1
1 2 . 16 1 1 A 8 8 HIS HA H 8 4.628 4.443 0.185 1
1 3 . 16 1 1 A 8 8 HIS CB C 8 30.709 30.273 0.436 1
1 10 . 16 1 1 A 9 9 GLY CA C 9 45.330 45.625 -0.295 1
1 11 . 16 1 1 A 9 9 GLY HA3 H 9 3.909 4.056 -0.147 1
1 12 . 16 1 1 A 9 9 GLY C C 9 174.145 173.993 0.152 1
1 13 . 16 1 1 A 9 9 GLY HA2 H 9 3.909 4.039 -0.130 1
1 14 . 16 1 1 A 10 10 GLU N N 10 120.846 122.491 -1.645 1
1 15 . 16 1 1 A 10 10 GLU H H 10 8.353 8.759 -0.406 1
1 16 . 16 1 1 A 10 10 GLU CA C 10 56.524 55.682 0.842 1
1 17 . 16 1 1 A 10 10 GLU HA H 10 4.225 4.468 -0.243 1
1 18 . 16 1 1 A 10 10 GLU CB C 10 30.384 29.160 1.224 1
1 22 . 16 1 1 A 10 10 GLU C C 10 176.348 175.642 0.706 1
1 25 . 16 1 1 A 11 11 ARG N N 11 121.539 122.278 -0.739 1
1 26 . 16 1 1 A 11 11 ARG H H 11 8.281 7.849 0.432 1
1 27 . 16 1 1 A 11 11 ARG CA C 11 56.005 54.931 1.074 1
1 28 . 16 1 1 A 11 11 ARG HA H 11 4.316 4.804 -0.488 1
1 29 . 16 1 1 A 11 11 ARG CB C 11 31.130 32.705 -1.575 1
1 35 . 16 1 1 A 11 11 ARG C C 11 176.001 176.006 -0.005 1
1 39 . 16 1 1 A 12 12 GLY N N 12 107.819 114.324 -6.505 1
1 40 . 16 1 1 A 12 12 GLY H H 12 8.075 8.617 -0.542 1
1 41 . 16 1 1 A 12 12 GLY CA C 12 44.814 44.877 -0.063 1
1 42 . 16 1 1 A 12 12 GLY HA3 H 12 4.014 3.780 0.234 1
1 43 . 16 1 1 A 12 12 GLY C C 12 172.193 172.403 -0.210 1
1 44 . 16 1 1 A 12 12 GLY HA2 H 12 3.651 3.626 0.025 1
1 45 . 16 1 1 A 13 13 HIS N N 13 119.279 118.696 0.583 1
1 46 . 16 1 1 A 13 13 HIS H H 13 8.024 7.691 0.333 1
1 47 . 16 1 1 A 13 13 HIS CA C 13 55.118 54.069 1.049 1
1 48 . 16 1 1 A 13 13 HIS HA H 13 4.235 4.856 -0.621 1
1 49 . 16 1 1 A 13 13 HIS CB C 13 31.866 31.483 0.383 1
1 55 . 16 1 1 A 13 13 HIS C C 13 173.211 173.448 -0.237 1
1 57 . 16 1 1 A 14 14 ARG N N 14 124.116 125.244 -1.128 1
1 58 . 16 1 1 A 14 14 ARG H H 14 8.606 8.737 -0.131 1
1 59 . 16 1 1 A 14 14 ARG CA C 14 54.263 55.192 -0.929 1
1 60 . 16 1 1 A 14 14 ARG HA H 14 4.820 5.248 -0.428 1
1 61 . 16 1 1 A 14 14 ARG CB C 14 32.523 31.823 0.700 1
1 67 . 16 1 1 A 14 14 ARG C C 14 175.690 176.748 -1.058 1
1 71 . 16 1 1 A 15 15 CYS N N 15 128.999 125.465 3.534 1
1 72 . 16 1 1 A 15 15 CYS H H 15 9.354 9.260 0.094 1
1 73 . 16 1 1 A 15 15 CYS CA C 15 59.902 59.434 0.468 1
1 74 . 16 1 1 A 15 15 CYS HA H 15 4.843 4.958 -0.115 1
1 75 . 16 1 1 A 15 15 CYS CB C 15 30.080 29.004 1.076 1
1 77 . 16 1 1 A 15 15 CYS C C 15 177.294 174.913 2.381 1
1 79 . 16 1 1 A 16 16 SER CA C 16 61.138 60.738 0.400 1
1 80 . 16 1 1 A 16 16 SER HA H 16 4.245 4.570 -0.325 1
1 81 . 16 1 1 A 16 16 SER CB C 16 63.060 64.010 -0.950 1
1 83 . 16 1 1 A 16 16 SER C C 16 174.763 175.511 -0.748 1
1 85 . 16 1 1 A 17 17 ASP N N 17 121.918 122.308 -0.390 1
1 86 . 16 1 1 A 17 17 ASP H H 17 8.415 7.717 0.698 1
1 87 . 16 1 1 A 17 17 ASP CA C 17 57.173 57.280 -0.107 1
1 88 . 16 1 1 A 17 17 ASP HA H 17 4.602 4.201 0.401 1
1 89 . 16 1 1 A 17 17 ASP CB C 17 41.250 39.816 1.434 1
1 91 . 16 1 1 A 17 17 ASP C C 17 176.420 177.660 -1.240 1
1 93 . 16 1 1 A 18 18 CYS N N 18 114.553 113.730 0.823 1
1 94 . 16 1 1 A 18 18 CYS H H 18 7.796 7.328 0.468 1
1 95 . 16 1 1 A 18 18 CYS CA C 18 58.608 59.799 -1.191 1
1 96 . 16 1 1 A 18 18 CYS HA H 18 5.206 4.590 0.616 1
1 97 . 16 1 1 A 18 18 CYS CB C 18 32.187 29.488 2.699 1
1 99 . 16 1 1 A 18 18 CYS C C 18 176.107 175.277 0.830 1
1 101 . 16 1 1 A 19 19 GLY N N 19 113.601 110.370 3.231 1
1 102 . 16 1 1 A 19 19 GLY H H 19 8.268 8.148 0.120 1
1 103 . 16 1 1 A 19 19 GLY CA C 19 46.294 45.147 1.147 1
1 104 . 16 1 1 A 19 19 GLY HA3 H 19 4.251 4.148 0.103 1
1 105 . 16 1 1 A 19 19 GLY C C 19 173.687 174.783 -1.096 1
1 106 . 16 1 1 A 19 19 GLY HA2 H 19 3.794 4.116 -0.322 1
1 107 . 16 1 1 A 20 20 LYS N N 20 121.922 120.758 1.164 1
1 108 . 16 1 1 A 20 20 LYS H H 20 7.833 7.585 0.248 1
1 109 . 16 1 1 A 20 20 LYS CA C 20 58.157 56.829 1.328 1
1 110 . 16 1 1 A 20 20 LYS HA H 20 4.133 4.398 -0.265 1
1 111 . 16 1 1 A 20 20 LYS CB C 20 34.348 34.079 0.269 1
1 119 . 16 1 1 A 20 20 LYS C C 20 174.006 175.395 -1.389 1
1 124 . 16 1 1 A 21 21 PHE N N 21 121.592 122.583 -0.991 1
1 125 . 16 1 1 A 21 21 PHE H H 21 8.197 8.697 -0.500 1
1 126 . 16 1 1 A 21 21 PHE CA C 21 57.064 56.685 0.379 1
1 127 . 16 1 1 A 21 21 PHE HA H 21 5.118 5.549 -0.431 1
1 128 . 16 1 1 A 21 21 PHE CB C 21 42.295 43.160 -0.865 1
1 140 . 16 1 1 A 21 21 PHE C C 21 174.756 173.331 1.425 1
1 142 . 16 1 1 A 22 22 PHE N N 22 122.744 122.721 0.023 1
1 143 . 16 1 1 A 22 22 PHE H H 22 8.535 7.958 0.577 1
1 144 . 16 1 1 A 22 22 PHE CA C 22 56.937 56.211 0.726 1
1 145 . 16 1 1 A 22 22 PHE HA H 22 4.467 4.951 -0.484 1
1 146 . 16 1 1 A 22 22 PHE CB C 22 42.745 44.338 -1.593 1
1 158 . 16 1 1 A 22 22 PHE C C 22 174.570 174.900 -0.330 1
1 160 . 16 1 1 A 23 23 LEU N N 23 124.547 120.230 4.317 1
1 161 . 16 1 1 A 23 23 LEU H H 23 8.632 8.510 0.122 1
1 162 . 16 1 1 A 23 23 LEU CA C 23 57.016 55.577 1.439 1
1 163 . 16 1 1 A 23 23 LEU HA H 23 4.190 4.482 -0.292 1
1 164 . 16 1 1 A 23 23 LEU CB C 23 43.006 43.871 -0.865 1
1 176 . 16 1 1 A 23 23 LEU C C 23 177.399 176.187 1.212 1
1 178 . 16 1 1 A 24 24 GLN N N 24 115.779 118.182 -2.403 1
1 179 . 16 1 1 A 24 24 GLN H H 24 8.246 7.664 0.582 1
1 180 . 16 1 1 A 24 24 GLN CA C 24 54.687 55.031 -0.344 1
1 181 . 16 1 1 A 24 24 GLN HA H 24 4.787 4.645 0.142 1
1 182 . 16 1 1 A 24 24 GLN CB C 24 29.974 29.600 0.374 1
1 189 . 16 1 1 A 24 24 GLN C C 24 176.712 176.076 0.636 1
1 192 . 16 1 1 A 25 25 ALA CA C 25 55.575 55.609 -0.034 1
1 193 . 16 1 1 A 25 25 ALA HA H 25 3.542 3.583 -0.041 1
1 194 . 16 1 1 A 25 25 ALA CB C 25 18.019 18.234 -0.215 1
1 198 . 16 1 1 A 25 25 ALA C C 25 179.282 179.470 -0.188 1
1 199 . 16 1 1 A 26 26 SER N N 26 111.647 113.376 -1.729 1
1 200 . 16 1 1 A 26 26 SER H H 26 8.886 8.253 0.633 1
1 201 . 16 1 1 A 26 26 SER CA C 26 61.362 62.329 -0.967 1
1 202 . 16 1 1 A 26 26 SER HA H 26 4.039 4.075 -0.036 1
1 203 . 16 1 1 A 26 26 SER CB C 26 61.561 62.620 -1.059 1
1 205 . 16 1 1 A 26 26 SER C C 26 177.406 176.702 0.704 1
1 207 . 16 1 1 A 27 27 ASN N N 27 119.503 120.323 -0.820 1
1 208 . 16 1 1 A 27 27 ASN H H 27 7.021 8.394 -1.373 1
1 209 . 16 1 1 A 27 27 ASN CA C 27 55.428 56.417 -0.989 1
1 210 . 16 1 1 A 27 27 ASN HA H 27 4.575 4.417 0.158 1
1 211 . 16 1 1 A 27 27 ASN CB C 27 38.410 38.225 0.185 1
1 216 . 16 1 1 A 27 27 ASN C C 27 177.285 178.142 -0.857 1
1 218 . 16 1 1 A 28 28 PHE N N 28 123.068 121.966 1.102 1
1 219 . 16 1 1 A 28 28 PHE H H 28 7.786 8.101 -0.315 1
1 220 . 16 1 1 A 28 28 PHE CA C 28 60.488 60.145 0.343 1
1 221 . 16 1 1 A 28 28 PHE HA H 28 3.240 3.032 0.208 1
1 222 . 16 1 1 A 28 28 PHE CB C 28 38.809 39.161 -0.352 1
1 234 . 16 1 1 A 28 28 PHE C C 28 175.850 176.902 -1.052 1
1 236 . 16 1 1 A 29 29 ILE N N 29 119.421 119.501 -0.080 1
1 237 . 16 1 1 A 29 29 ILE H H 29 8.501 7.940 0.561 1
1 238 . 16 1 1 A 29 29 ILE CA C 29 64.558 64.409 0.149 1
1 239 . 16 1 1 A 29 29 ILE HA H 29 3.221 3.484 -0.263 1
1 240 . 16 1 1 A 29 29 ILE CB C 29 37.818 37.535 0.283 1
1 252 . 16 1 1 A 29 29 ILE C C 29 178.885 178.823 0.062 1
1 254 . 16 1 1 A 30 30 GLN N N 30 117.482 117.350 0.132 1
1 255 . 16 1 1 A 30 30 GLN H H 30 7.343 7.987 -0.644 1
1 256 . 16 1 1 A 30 30 GLN CA C 30 58.656 57.689 0.967 1
1 257 . 16 1 1 A 30 30 GLN HA H 30 3.885 4.148 -0.263 1
1 258 . 16 1 1 A 30 30 GLN CB C 30 28.460 28.332 0.128 1
1 265 . 16 1 1 A 30 30 GLN C C 30 178.347 177.262 1.085 1
1 268 . 16 1 1 A 31 31 HIS N N 31 119.125 120.532 -1.407 1
1 269 . 16 1 1 A 31 31 HIS H H 31 7.738 7.876 -0.138 1
1 270 . 16 1 1 A 31 31 HIS CA C 31 59.348 58.612 0.736 1
1 271 . 16 1 1 A 31 31 HIS HA H 31 4.052 4.266 -0.214 1
1 272 . 16 1 1 A 31 31 HIS CB C 31 28.129 29.969 -1.840 1
1 278 . 16 1 1 A 31 31 HIS C C 31 176.394 177.090 -0.696 1
1 280 . 16 1 1 A 32 32 ARG N N 32 115.404 118.244 -2.840 1
1 281 . 16 1 1 A 32 32 ARG H H 32 7.920 7.613 0.307 1
1 282 . 16 1 1 A 32 32 ARG CA C 32 58.191 58.295 -0.104 1
1 283 . 16 1 1 A 32 32 ARG HA H 32 3.510 4.045 -0.535 1
1 284 . 16 1 1 A 32 32 ARG CB C 32 28.088 29.687 -1.599 1
1 290 . 16 1 1 A 32 32 ARG C C 32 177.828 178.511 -0.683 1
1 294 . 16 1 1 A 33 33 ARG N N 33 116.284 118.155 -1.871 1
1 295 . 16 1 1 A 33 33 ARG H H 33 7.025 7.738 -0.713 1
1 296 . 16 1 1 A 33 33 ARG CA C 33 58.538 59.192 -0.654 1
1 297 . 16 1 1 A 33 33 ARG HA H 33 4.094 3.990 0.104 1
1 298 . 16 1 1 A 33 33 ARG CB C 33 29.994 30.348 -0.354 1
1 304 . 16 1 1 A 33 33 ARG C C 33 178.632 178.775 -0.143 1
1 308 . 16 1 1 A 34 34 ILE N N 34 116.774 117.468 -0.694 1
1 309 . 16 1 1 A 34 34 ILE H H 34 7.715 7.617 0.098 1
1 310 . 16 1 1 A 34 34 ILE CA C 34 63.294 64.095 -0.801 1
1 311 . 16 1 1 A 34 34 ILE HA H 34 3.886 3.758 0.128 1
1 312 . 16 1 1 A 34 34 ILE CB C 34 37.481 37.325 0.156 1
1 324 . 16 1 1 A 34 34 ILE C C 34 177.422 177.502 -0.080 1
1 326 . 16 1 1 A 35 35 HIS N N 35 117.061 121.033 -3.972 1
1 327 . 16 1 1 A 35 35 HIS H H 35 7.143 7.545 -0.402 1
1 328 . 16 1 1 A 35 35 HIS CA C 35 55.554 60.010 -4.456 1
1 329 . 16 1 1 A 35 35 HIS HA H 35 4.798 4.187 0.611 1
1 330 . 16 1 1 A 35 35 HIS CB C 35 28.994 30.650 -1.656 1
1 336 . 16 1 1 A 35 35 HIS C C 35 176.009 177.719 -1.710 1
1 338 . 16 1 1 A 36 36 THR N N 36 110.946 113.683 -2.737 1
1 339 . 16 1 1 A 36 36 THR H H 36 7.834 8.583 -0.749 1
1 340 . 16 1 1 A 36 36 THR CA C 36 62.550 65.203 -2.653 1
1 341 . 16 1 1 A 36 36 THR HA H 36 4.312 3.953 0.359 1
1 342 . 16 1 1 A 36 36 THR CB C 36 69.804 68.039 1.765 1
1 348 . 16 1 1 A 36 36 THR C C 36 175.635 176.793 -1.158 1
1 349 . 16 1 1 A 37 37 GLY N N 37 110.649 111.361 -0.712 1
1 350 . 16 1 1 A 37 37 GLY H H 37 8.196 8.337 -0.141 1
1 351 . 16 1 1 A 37 37 GLY CA C 37 45.414 47.275 -1.861 1
1 352 . 16 1 1 A 37 37 GLY HA3 H 37 3.920 3.711 0.209 1
1 353 . 16 1 1 A 37 37 GLY C C 37 174.050 174.638 -0.588 1
1 354 . 16 1 1 A 37 37 GLY HA2 H 37 4.016 3.700 0.316 1
1 355 . 16 1 1 A 38 38 GLU N N 38 120.504 118.323 2.181 1
1 356 . 16 1 1 A 38 38 GLU H H 38 8.039 7.838 0.201 1
1 357 . 16 1 1 A 38 38 GLU CA C 38 56.537 55.079 1.458 1
1 358 . 16 1 1 A 38 38 GLU HA H 38 4.215 4.731 -0.516 1
1 359 . 16 1 1 A 38 38 GLU CB C 38 30.588 31.434 -0.846 1
1 363 . 16 1 1 A 38 38 GLU C C 38 176.107 175.034 1.073 1
1 366 . 16 1 1 A 39 39 LYS N N 39 123.777 123.344 0.433 1
1 367 . 16 1 1 A 39 39 LYS H H 39 8.401 8.722 -0.321 1
1 368 . 16 1 1 A 39 39 LYS CA C 39 54.099 52.984 1.115 1
1 369 . 16 1 1 A 39 39 LYS HA H 39 4.599 4.858 -0.259 1
1 370 . 16 1 1 A 39 39 LYS CB C 39 32.530 36.251 -3.721 1
1 378 . 16 1 1 A 39 39 LYS C C 39 174.452 174.811 -0.359 1
1 383 . 16 1 1 A 40 40 PRO CA C 40 63.195 63.005 0.190 1
1 384 . 16 1 1 A 40 40 PRO HA H 40 4.445 4.852 -0.407 1
1 385 . 16 1 1 A 40 40 PRO CB C 40 32.187 34.067 -1.880 1
1 391 . 16 1 1 A 40 40 PRO C C 40 176.911 176.524 0.387 1
1 395 . 16 1 1 A 41 41 SER N N 41 116.485 116.606 -0.121 1
1 396 . 16 1 1 A 41 41 SER H H 41 8.449 8.729 -0.280 1
1 397 . 16 1 1 A 41 41 SER CA C 41 58.467 61.348 -2.881 1
1 398 . 16 1 1 A 41 41 SER HA H 41 4.468 4.477 -0.009 1
1 399 . 16 1 1 A 41 41 SER CB C 41 63.909 63.645 0.264 1
1 401 . 16 1 1 A 41 41 SER C C 41 174.617 177.143 -2.526 1
1 403 . 16 1 1 A 42 42 GLY N N 42 110.609 109.273 1.336 1
1 404 . 16 1 1 A 42 42 GLY H H 42 8.216 8.292 -0.076 1
1 405 . 16 1 1 A 42 42 GLY CA C 42 44.673 47.840 -3.167 1
1 406 . 16 1 1 A 42 42 GLY HA3 H 42 4.114 3.794 0.320 1
1 407 . 16 1 1 A 42 42 GLY C C 42 171.713 174.636 -2.923 1
1 408 . 16 1 1 A 42 42 GLY HA2 H 42 4.158 3.794 0.364 1
1 409 . 16 1 1 A 43 43 PRO CA C 43 63.260 62.804 0.456 1
1 410 . 16 1 1 A 43 43 PRO HA H 43 4.484 4.659 -0.175 1
1 411 . 16 1 1 A 43 43 PRO CB C 43 32.216 32.707 -0.491 1
1 417 . 16 1 1 A 43 43 PRO C C 43 177.352 175.515 1.837 1
1 421 . 16 1 1 A 44 44 SER N N 44 116.409 117.276 -0.867 1
1 422 . 16 1 1 A 44 44 SER H H 44 8.511 8.338 0.173 1
1 423 . 16 1 1 A 44 44 SER CA C 44 58.392 57.871 0.521 1
1 424 . 16 1 1 A 44 44 SER HA H 44 4.466 4.856 -0.390 1
1 425 . 16 1 1 A 44 44 SER CB C 44 63.748 66.653 -2.905 1
1 427 . 16 1 1 A 44 44 SER C C 44 174.615 172.829 1.786 1
1 429 . 16 1 1 A 45 45 SER N N 45 117.817 120.552 -2.735 1
1 430 . 16 1 1 A 45 45 SER H H 45 8.303 8.744 -0.441 1
1 431 . 16 1 1 A 45 45 SER CA C 45 58.381 58.900 -0.519 1
1 432 . 16 1 1 A 45 45 SER HA H 45 4.452 4.355 0.097 1
1 433 . 16 1 1 A 45 45 SER CB C 45 64.070 63.835 0.235 1
1 435 . 16 1 1 A 45 45 SER C C 45 173.885 174.597 -0.712 1
1 1 . 17 1 1 A 8 8 HIS CA C 8 56.329 58.490 -2.161 1
1 2 . 17 1 1 A 8 8 HIS HA H 8 4.628 4.326 0.302 1
1 3 . 17 1 1 A 8 8 HIS CB C 8 30.709 29.258 1.451 1
1 10 . 17 1 1 A 9 9 GLY CA C 9 45.330 45.479 -0.149 1
1 11 . 17 1 1 A 9 9 GLY HA3 H 9 3.909 3.782 0.127 1
1 12 . 17 1 1 A 9 9 GLY C C 9 174.145 170.912 3.233 1
1 13 . 17 1 1 A 9 9 GLY HA2 H 9 3.909 3.674 0.235 1
1 14 . 17 1 1 A 10 10 GLU N N 10 120.846 119.931 0.915 1
1 15 . 17 1 1 A 10 10 GLU H H 10 8.353 8.222 0.131 1
1 16 . 17 1 1 A 10 10 GLU CA C 10 56.524 54.416 2.108 1
1 17 . 17 1 1 A 10 10 GLU HA H 10 4.225 5.060 -0.835 1
1 18 . 17 1 1 A 10 10 GLU CB C 10 30.384 33.544 -3.160 1
1 22 . 17 1 1 A 10 10 GLU C C 10 176.348 174.821 1.527 1
1 25 . 17 1 1 A 11 11 ARG N N 11 121.539 123.558 -2.019 1
1 26 . 17 1 1 A 11 11 ARG H H 11 8.281 8.596 -0.315 1
1 27 . 17 1 1 A 11 11 ARG CA C 11 56.005 54.814 1.191 1
1 28 . 17 1 1 A 11 11 ARG HA H 11 4.316 4.555 -0.239 1
1 29 . 17 1 1 A 11 11 ARG CB C 11 31.130 29.660 1.470 1
1 35 . 17 1 1 A 11 11 ARG C C 11 176.001 175.040 0.961 1
1 39 . 17 1 1 A 12 12 GLY N N 12 107.819 111.559 -3.740 1
1 40 . 17 1 1 A 12 12 GLY H H 12 8.075 7.857 0.218 1
1 41 . 17 1 1 A 12 12 GLY CA C 12 44.814 44.248 0.566 1
1 42 . 17 1 1 A 12 12 GLY HA3 H 12 4.014 3.932 0.082 1
1 43 . 17 1 1 A 12 12 GLY C C 12 172.193 171.534 0.659 1
1 44 . 17 1 1 A 12 12 GLY HA2 H 12 3.651 3.771 -0.120 1
1 45 . 17 1 1 A 13 13 HIS N N 13 119.279 117.721 1.558 1
1 46 . 17 1 1 A 13 13 HIS H H 13 8.024 7.726 0.298 1
1 47 . 17 1 1 A 13 13 HIS CA C 13 55.118 54.090 1.028 1
1 48 . 17 1 1 A 13 13 HIS HA H 13 4.235 4.723 -0.488 1
1 49 . 17 1 1 A 13 13 HIS CB C 13 31.866 31.717 0.149 1
1 55 . 17 1 1 A 13 13 HIS C C 13 173.211 173.052 0.159 1
1 57 . 17 1 1 A 14 14 ARG N N 14 124.116 125.335 -1.219 1
1 58 . 17 1 1 A 14 14 ARG H H 14 8.606 8.947 -0.341 1
1 59 . 17 1 1 A 14 14 ARG CA C 14 54.263 54.619 -0.356 1
1 60 . 17 1 1 A 14 14 ARG HA H 14 4.820 5.481 -0.661 1
1 61 . 17 1 1 A 14 14 ARG CB C 14 32.523 32.477 0.046 1
1 67 . 17 1 1 A 14 14 ARG C C 14 175.690 176.494 -0.804 1
1 71 . 17 1 1 A 15 15 CYS N N 15 128.999 125.498 3.501 1
1 72 . 17 1 1 A 15 15 CYS H H 15 9.354 9.145 0.209 1
1 73 . 17 1 1 A 15 15 CYS CA C 15 59.902 59.506 0.396 1
1 74 . 17 1 1 A 15 15 CYS HA H 15 4.843 4.914 -0.071 1
1 75 . 17 1 1 A 15 15 CYS CB C 15 30.080 29.174 0.906 1
1 77 . 17 1 1 A 15 15 CYS C C 15 177.294 174.974 2.320 1
1 79 . 17 1 1 A 16 16 SER CA C 16 61.138 60.069 1.069 1
1 80 . 17 1 1 A 16 16 SER HA H 16 4.245 4.481 -0.236 1
1 81 . 17 1 1 A 16 16 SER CB C 16 63.060 63.911 -0.851 1
1 83 . 17 1 1 A 16 16 SER C C 16 174.763 176.151 -1.388 1
1 85 . 17 1 1 A 17 17 ASP N N 17 121.918 122.052 -0.134 1
1 86 . 17 1 1 A 17 17 ASP H H 17 8.415 7.716 0.699 1
1 87 . 17 1 1 A 17 17 ASP CA C 17 57.173 57.126 0.047 1
1 88 . 17 1 1 A 17 17 ASP HA H 17 4.602 4.202 0.400 1
1 89 . 17 1 1 A 17 17 ASP CB C 17 41.250 39.463 1.787 1
1 91 . 17 1 1 A 17 17 ASP C C 17 176.420 177.664 -1.244 1
1 93 . 17 1 1 A 18 18 CYS N N 18 114.553 114.362 0.191 1
1 94 . 17 1 1 A 18 18 CYS H H 18 7.796 7.368 0.428 1
1 95 . 17 1 1 A 18 18 CYS CA C 18 58.608 59.612 -1.004 1
1 96 . 17 1 1 A 18 18 CYS HA H 18 5.206 4.638 0.568 1
1 97 . 17 1 1 A 18 18 CYS CB C 18 32.187 29.842 2.345 1
1 99 . 17 1 1 A 18 18 CYS C C 18 176.107 175.532 0.575 1
1 101 . 17 1 1 A 19 19 GLY N N 19 113.601 110.368 3.233 1
1 102 . 17 1 1 A 19 19 GLY H H 19 8.268 8.261 0.007 1
1 103 . 17 1 1 A 19 19 GLY CA C 19 46.294 45.880 0.414 1
1 104 . 17 1 1 A 19 19 GLY HA3 H 19 4.251 4.101 0.150 1
1 105 . 17 1 1 A 19 19 GLY C C 19 173.687 174.391 -0.704 1
1 106 . 17 1 1 A 19 19 GLY HA2 H 19 3.794 4.070 -0.276 1
1 107 . 17 1 1 A 20 20 LYS N N 20 121.922 119.175 2.747 1
1 108 . 17 1 1 A 20 20 LYS H H 20 7.833 8.015 -0.182 1
1 109 . 17 1 1 A 20 20 LYS CA C 20 58.157 55.420 2.737 1
1 110 . 17 1 1 A 20 20 LYS HA H 20 4.133 4.795 -0.662 1
1 111 . 17 1 1 A 20 20 LYS CB C 20 34.348 34.588 -0.240 1
1 119 . 17 1 1 A 20 20 LYS C C 20 174.006 175.348 -1.342 1
1 124 . 17 1 1 A 21 21 PHE N N 21 121.592 122.635 -1.043 1
1 125 . 17 1 1 A 21 21 PHE H H 21 8.197 8.705 -0.508 1
1 126 . 17 1 1 A 21 21 PHE CA C 21 57.064 56.739 0.325 1
1 127 . 17 1 1 A 21 21 PHE HA H 21 5.118 5.618 -0.500 1
1 128 . 17 1 1 A 21 21 PHE CB C 21 42.295 43.204 -0.909 1
1 140 . 17 1 1 A 21 21 PHE C C 21 174.756 173.301 1.455 1
1 142 . 17 1 1 A 22 22 PHE N N 22 122.744 122.734 0.010 1
1 143 . 17 1 1 A 22 22 PHE H H 22 8.535 7.974 0.561 1
1 144 . 17 1 1 A 22 22 PHE CA C 22 56.937 56.280 0.657 1
1 145 . 17 1 1 A 22 22 PHE HA H 22 4.467 4.947 -0.480 1
1 146 . 17 1 1 A 22 22 PHE CB C 22 42.745 44.224 -1.479 1
1 158 . 17 1 1 A 22 22 PHE C C 22 174.570 174.879 -0.309 1
1 160 . 17 1 1 A 23 23 LEU N N 23 124.547 121.047 3.500 1
1 161 . 17 1 1 A 23 23 LEU H H 23 8.632 8.464 0.168 1
1 162 . 17 1 1 A 23 23 LEU CA C 23 57.016 55.562 1.454 1
1 163 . 17 1 1 A 23 23 LEU HA H 23 4.190 4.415 -0.225 1
1 164 . 17 1 1 A 23 23 LEU CB C 23 43.006 43.693 -0.687 1
1 176 . 17 1 1 A 23 23 LEU C C 23 177.399 176.379 1.020 1
1 178 . 17 1 1 A 24 24 GLN N N 24 115.779 118.255 -2.476 1
1 179 . 17 1 1 A 24 24 GLN H H 24 8.246 7.590 0.656 1
1 180 . 17 1 1 A 24 24 GLN CA C 24 54.687 54.907 -0.220 1
1 181 . 17 1 1 A 24 24 GLN HA H 24 4.787 4.626 0.161 1
1 182 . 17 1 1 A 24 24 GLN CB C 24 29.974 28.705 1.269 1
1 189 . 17 1 1 A 24 24 GLN C C 24 176.712 176.264 0.448 1
1 192 . 17 1 1 A 25 25 ALA CA C 25 55.575 55.619 -0.044 1
1 193 . 17 1 1 A 25 25 ALA HA H 25 3.542 3.553 -0.011 1
1 194 . 17 1 1 A 25 25 ALA CB C 25 18.019 18.312 -0.293 1
1 198 . 17 1 1 A 25 25 ALA C C 25 179.282 179.385 -0.103 1
1 199 . 17 1 1 A 26 26 SER N N 26 111.647 112.878 -1.231 1
1 200 . 17 1 1 A 26 26 SER H H 26 8.886 8.461 0.425 1
1 201 . 17 1 1 A 26 26 SER CA C 26 61.362 61.409 -0.047 1
1 202 . 17 1 1 A 26 26 SER HA H 26 4.039 4.173 -0.134 1
1 203 . 17 1 1 A 26 26 SER CB C 26 61.561 62.423 -0.862 1
1 205 . 17 1 1 A 26 26 SER C C 26 177.406 177.352 0.054 1
1 207 . 17 1 1 A 27 27 ASN N N 27 119.503 119.939 -0.436 1
1 208 . 17 1 1 A 27 27 ASN H H 27 7.021 8.271 -1.250 1
1 209 . 17 1 1 A 27 27 ASN CA C 27 55.428 56.425 -0.997 1
1 210 . 17 1 1 A 27 27 ASN HA H 27 4.575 4.442 0.133 1
1 211 . 17 1 1 A 27 27 ASN CB C 27 38.410 38.167 0.243 1
1 216 . 17 1 1 A 27 27 ASN C C 27 177.285 178.180 -0.895 1
1 218 . 17 1 1 A 28 28 PHE N N 28 123.068 121.781 1.287 1
1 219 . 17 1 1 A 28 28 PHE H H 28 7.786 8.126 -0.340 1
1 220 . 17 1 1 A 28 28 PHE CA C 28 60.488 60.152 0.336 1
1 221 . 17 1 1 A 28 28 PHE HA H 28 3.240 3.112 0.128 1
1 222 . 17 1 1 A 28 28 PHE CB C 28 38.809 39.081 -0.272 1
1 234 . 17 1 1 A 28 28 PHE C C 28 175.850 176.767 -0.917 1
1 236 . 17 1 1 A 29 29 ILE N N 29 119.421 119.517 -0.096 1
1 237 . 17 1 1 A 29 29 ILE H H 29 8.501 8.036 0.465 1
1 238 . 17 1 1 A 29 29 ILE CA C 29 64.558 64.293 0.265 1
1 239 . 17 1 1 A 29 29 ILE HA H 29 3.221 3.385 -0.164 1
1 240 . 17 1 1 A 29 29 ILE CB C 29 37.818 37.164 0.654 1
1 252 . 17 1 1 A 29 29 ILE C C 29 178.885 178.774 0.111 1
1 254 . 17 1 1 A 30 30 GLN N N 30 117.482 117.455 0.027 1
1 255 . 17 1 1 A 30 30 GLN H H 30 7.343 8.034 -0.691 1
1 256 . 17 1 1 A 30 30 GLN CA C 30 58.656 57.705 0.951 1
1 257 . 17 1 1 A 30 30 GLN HA H 30 3.885 4.087 -0.202 1
1 258 . 17 1 1 A 30 30 GLN CB C 30 28.460 28.401 0.059 1
1 265 . 17 1 1 A 30 30 GLN C C 30 178.347 177.380 0.967 1
1 268 . 17 1 1 A 31 31 HIS N N 31 119.125 120.633 -1.508 1
1 269 . 17 1 1 A 31 31 HIS H H 31 7.738 7.880 -0.142 1
1 270 . 17 1 1 A 31 31 HIS CA C 31 59.348 58.674 0.674 1
1 271 . 17 1 1 A 31 31 HIS HA H 31 4.052 4.249 -0.197 1
1 272 . 17 1 1 A 31 31 HIS CB C 31 28.129 29.897 -1.768 1
1 278 . 17 1 1 A 31 31 HIS C C 31 176.394 177.070 -0.676 1
1 280 . 17 1 1 A 32 32 ARG N N 32 115.404 118.236 -2.832 1
1 281 . 17 1 1 A 32 32 ARG H H 32 7.920 7.634 0.286 1
1 282 . 17 1 1 A 32 32 ARG CA C 32 58.191 58.207 -0.016 1
1 283 . 17 1 1 A 32 32 ARG HA H 32 3.510 4.034 -0.524 1
1 284 . 17 1 1 A 32 32 ARG CB C 32 28.088 29.846 -1.758 1
1 290 . 17 1 1 A 32 32 ARG C C 32 177.828 178.484 -0.656 1
1 294 . 17 1 1 A 33 33 ARG N N 33 116.284 118.090 -1.806 1
1 295 . 17 1 1 A 33 33 ARG H H 33 7.025 7.758 -0.733 1
1 296 . 17 1 1 A 33 33 ARG CA C 33 58.538 59.242 -0.704 1
1 297 . 17 1 1 A 33 33 ARG HA H 33 4.094 4.005 0.089 1
1 298 . 17 1 1 A 33 33 ARG CB C 33 29.994 30.228 -0.234 1
1 304 . 17 1 1 A 33 33 ARG C C 33 178.632 178.764 -0.132 1
1 308 . 17 1 1 A 34 34 ILE N N 34 116.774 116.986 -0.212 1
1 309 . 17 1 1 A 34 34 ILE H H 34 7.715 7.645 0.070 1
1 310 . 17 1 1 A 34 34 ILE CA C 34 63.294 64.077 -0.783 1
1 311 . 17 1 1 A 34 34 ILE HA H 34 3.886 3.734 0.152 1
1 312 . 17 1 1 A 34 34 ILE CB C 34 37.481 37.229 0.252 1
1 324 . 17 1 1 A 34 34 ILE C C 34 177.422 177.348 0.074 1
1 326 . 17 1 1 A 35 35 HIS N N 35 117.061 119.559 -2.498 1
1 327 . 17 1 1 A 35 35 HIS H H 35 7.143 7.398 -0.255 1
1 328 . 17 1 1 A 35 35 HIS CA C 35 55.554 58.705 -3.151 1
1 329 . 17 1 1 A 35 35 HIS HA H 35 4.798 4.366 0.432 1
1 330 . 17 1 1 A 35 35 HIS CB C 35 28.994 30.911 -1.917 1
1 336 . 17 1 1 A 35 35 HIS C C 35 176.009 175.457 0.552 1
1 338 . 17 1 1 A 36 36 THR N N 36 110.946 111.953 -1.007 1
1 339 . 17 1 1 A 36 36 THR H H 36 7.834 7.952 -0.118 1
1 340 . 17 1 1 A 36 36 THR CA C 36 62.550 62.050 0.500 1
1 341 . 17 1 1 A 36 36 THR HA H 36 4.312 4.289 0.023 1
1 342 . 17 1 1 A 36 36 THR CB C 36 69.804 69.025 0.779 1
1 348 . 17 1 1 A 36 36 THR C C 36 175.635 175.220 0.415 1
1 349 . 17 1 1 A 37 37 GLY N N 37 110.649 111.594 -0.945 1
1 350 . 17 1 1 A 37 37 GLY H H 37 8.196 8.516 -0.320 1
1 351 . 17 1 1 A 37 37 GLY CA C 37 45.414 44.915 0.499 1
1 352 . 17 1 1 A 37 37 GLY HA3 H 37 3.920 4.296 -0.376 1
1 353 . 17 1 1 A 37 37 GLY C C 37 174.050 172.245 1.805 1
1 354 . 17 1 1 A 37 37 GLY HA2 H 37 4.016 4.290 -0.274 1
1 355 . 17 1 1 A 38 38 GLU N N 38 120.504 120.970 -0.466 1
1 356 . 17 1 1 A 38 38 GLU H H 38 8.039 8.492 -0.453 1
1 357 . 17 1 1 A 38 38 GLU CA C 38 56.537 56.079 0.458 1
1 358 . 17 1 1 A 38 38 GLU HA H 38 4.215 4.643 -0.428 1
1 359 . 17 1 1 A 38 38 GLU CB C 38 30.588 30.949 -0.361 1
1 363 . 17 1 1 A 38 38 GLU C C 38 176.107 176.059 0.048 1
1 366 . 17 1 1 A 39 39 LYS N N 39 123.777 124.035 -0.258 1
1 367 . 17 1 1 A 39 39 LYS H H 39 8.401 9.120 -0.719 1
1 368 . 17 1 1 A 39 39 LYS CA C 39 54.099 53.296 0.803 1
1 369 . 17 1 1 A 39 39 LYS HA H 39 4.599 4.948 -0.349 1
1 370 . 17 1 1 A 39 39 LYS CB C 39 32.530 35.731 -3.201 1
1 378 . 17 1 1 A 39 39 LYS C C 39 174.452 173.932 0.520 1
1 383 . 17 1 1 A 40 40 PRO CA C 40 63.195 62.901 0.294 1
1 384 . 17 1 1 A 40 40 PRO HA H 40 4.445 4.449 -0.004 1
1 385 . 17 1 1 A 40 40 PRO CB C 40 32.187 32.092 0.095 1
1 391 . 17 1 1 A 40 40 PRO C C 40 176.911 176.898 0.013 1
1 395 . 17 1 1 A 41 41 SER N N 41 116.485 115.604 0.881 1
1 396 . 17 1 1 A 41 41 SER H H 41 8.449 8.445 0.004 1
1 397 . 17 1 1 A 41 41 SER CA C 41 58.467 59.250 -0.783 1
1 398 . 17 1 1 A 41 41 SER HA H 41 4.468 4.564 -0.096 1
1 399 . 17 1 1 A 41 41 SER CB C 41 63.909 63.093 0.816 1
1 401 . 17 1 1 A 41 41 SER C C 41 174.617 174.622 -0.005 1
1 403 . 17 1 1 A 42 42 GLY N N 42 110.609 111.939 -1.330 1
1 404 . 17 1 1 A 42 42 GLY H H 42 8.216 8.586 -0.370 1
1 405 . 17 1 1 A 42 42 GLY CA C 42 44.673 45.659 -0.986 1
1 406 . 17 1 1 A 42 42 GLY HA3 H 42 4.114 3.971 0.143 1
1 407 . 17 1 1 A 42 42 GLY C C 42 171.713 174.709 -2.996 1
1 408 . 17 1 1 A 42 42 GLY HA2 H 42 4.158 3.971 0.187 1
1 409 . 17 1 1 A 43 43 PRO CA C 43 63.260 64.579 -1.319 1
1 410 . 17 1 1 A 43 43 PRO HA H 43 4.484 4.392 0.092 1
1 411 . 17 1 1 A 43 43 PRO CB C 43 32.216 31.529 0.687 1
1 417 . 17 1 1 A 43 43 PRO C C 43 177.352 176.963 0.389 1
1 421 . 17 1 1 A 44 44 SER N N 44 116.409 114.796 1.613 1
1 422 . 17 1 1 A 44 44 SER H H 44 8.511 7.741 0.770 1
1 423 . 17 1 1 A 44 44 SER CA C 44 58.392 58.123 0.269 1
1 424 . 17 1 1 A 44 44 SER HA H 44 4.466 4.372 0.094 1
1 425 . 17 1 1 A 44 44 SER CB C 44 63.748 63.763 -0.015 1
1 427 . 17 1 1 A 44 44 SER C C 44 174.615 173.919 0.696 1
1 429 . 17 1 1 A 45 45 SER N N 45 117.817 117.993 -0.176 1
1 430 . 17 1 1 A 45 45 SER H H 45 8.303 8.587 -0.284 1
1 431 . 17 1 1 A 45 45 SER CA C 45 58.381 56.385 1.996 1
1 432 . 17 1 1 A 45 45 SER HA H 45 4.452 5.239 -0.787 1
1 433 . 17 1 1 A 45 45 SER CB C 45 64.070 64.530 -0.460 1
1 435 . 17 1 1 A 45 45 SER C C 45 173.885 173.764 0.121 1
1 1 . 18 1 1 A 8 8 HIS CA C 8 56.329 56.099 0.230 1
1 2 . 18 1 1 A 8 8 HIS HA H 8 4.628 4.654 -0.026 1
1 3 . 18 1 1 A 8 8 HIS CB C 8 30.709 29.163 1.546 1
1 10 . 18 1 1 A 9 9 GLY CA C 9 45.330 47.374 -2.044 1
1 11 . 18 1 1 A 9 9 GLY HA3 H 9 3.909 3.758 0.151 1
1 12 . 18 1 1 A 9 9 GLY C C 9 174.145 173.676 0.469 1
1 13 . 18 1 1 A 9 9 GLY HA2 H 9 3.909 3.753 0.156 1
1 14 . 18 1 1 A 10 10 GLU N N 10 120.846 115.415 5.431 1
1 15 . 18 1 1 A 10 10 GLU H H 10 8.353 8.133 0.220 1
1 16 . 18 1 1 A 10 10 GLU CA C 10 56.524 54.975 1.549 1
1 17 . 18 1 1 A 10 10 GLU HA H 10 4.225 4.822 -0.597 1
1 18 . 18 1 1 A 10 10 GLU CB C 10 30.384 32.901 -2.517 1
1 22 . 18 1 1 A 10 10 GLU C C 10 176.348 174.656 1.692 1
1 25 . 18 1 1 A 11 11 ARG N N 11 121.539 121.265 0.274 1
1 26 . 18 1 1 A 11 11 ARG H H 11 8.281 8.658 -0.377 1
1 27 . 18 1 1 A 11 11 ARG CA C 11 56.005 55.619 0.386 1
1 28 . 18 1 1 A 11 11 ARG HA H 11 4.316 4.650 -0.334 1
1 29 . 18 1 1 A 11 11 ARG CB C 11 31.130 32.642 -1.512 1
1 35 . 18 1 1 A 11 11 ARG C C 11 176.001 175.861 0.140 1
1 39 . 18 1 1 A 12 12 GLY N N 12 107.819 115.657 -7.838 1
1 40 . 18 1 1 A 12 12 GLY H H 12 8.075 8.906 -0.831 1
1 41 . 18 1 1 A 12 12 GLY CA C 12 44.814 44.852 -0.038 1
1 42 . 18 1 1 A 12 12 GLY HA3 H 12 4.014 3.869 0.145 1
1 43 . 18 1 1 A 12 12 GLY C C 12 172.193 172.386 -0.193 1
1 44 . 18 1 1 A 12 12 GLY HA2 H 12 3.651 3.670 -0.019 1
1 45 . 18 1 1 A 13 13 HIS N N 13 119.279 118.708 0.571 1
1 46 . 18 1 1 A 13 13 HIS H H 13 8.024 8.199 -0.175 1
1 47 . 18 1 1 A 13 13 HIS CA C 13 55.118 54.080 1.038 1
1 48 . 18 1 1 A 13 13 HIS HA H 13 4.235 4.756 -0.521 1
1 49 . 18 1 1 A 13 13 HIS CB C 13 31.866 31.599 0.267 1
1 55 . 18 1 1 A 13 13 HIS C C 13 173.211 173.349 -0.138 1
1 57 . 18 1 1 A 14 14 ARG N N 14 124.116 125.331 -1.215 1
1 58 . 18 1 1 A 14 14 ARG H H 14 8.606 8.871 -0.265 1
1 59 . 18 1 1 A 14 14 ARG CA C 14 54.263 55.199 -0.936 1
1 60 . 18 1 1 A 14 14 ARG HA H 14 4.820 5.293 -0.473 1
1 61 . 18 1 1 A 14 14 ARG CB C 14 32.523 31.854 0.669 1
1 67 . 18 1 1 A 14 14 ARG C C 14 175.690 176.462 -0.772 1
1 71 . 18 1 1 A 15 15 CYS N N 15 128.999 125.203 3.796 1
1 72 . 18 1 1 A 15 15 CYS H H 15 9.354 9.315 0.039 1
1 73 . 18 1 1 A 15 15 CYS CA C 15 59.902 59.248 0.654 1
1 74 . 18 1 1 A 15 15 CYS HA H 15 4.843 5.053 -0.210 1
1 75 . 18 1 1 A 15 15 CYS CB C 15 30.080 29.487 0.593 1
1 77 . 18 1 1 A 15 15 CYS C C 15 177.294 176.121 1.173 1
1 79 . 18 1 1 A 16 16 SER CA C 16 61.138 59.156 1.982 1
1 80 . 18 1 1 A 16 16 SER HA H 16 4.245 4.477 -0.232 1
1 81 . 18 1 1 A 16 16 SER CB C 16 63.060 64.359 -1.299 1
1 83 . 18 1 1 A 16 16 SER C C 16 174.763 176.096 -1.333 1
1 85 . 18 1 1 A 17 17 ASP N N 17 121.918 121.831 0.087 1
1 86 . 18 1 1 A 17 17 ASP H H 17 8.415 7.804 0.611 1
1 87 . 18 1 1 A 17 17 ASP CA C 17 57.173 57.108 0.065 1
1 88 . 18 1 1 A 17 17 ASP HA H 17 4.602 4.219 0.383 1
1 89 . 18 1 1 A 17 17 ASP CB C 17 41.250 39.545 1.705 1
1 91 . 18 1 1 A 17 17 ASP C C 17 176.420 177.651 -1.231 1
1 93 . 18 1 1 A 18 18 CYS N N 18 114.553 114.236 0.317 1
1 94 . 18 1 1 A 18 18 CYS H H 18 7.796 7.388 0.408 1
1 95 . 18 1 1 A 18 18 CYS CA C 18 58.608 59.524 -0.916 1
1 96 . 18 1 1 A 18 18 CYS HA H 18 5.206 4.607 0.599 1
1 97 . 18 1 1 A 18 18 CYS CB C 18 32.187 29.908 2.279 1
1 99 . 18 1 1 A 18 18 CYS C C 18 176.107 175.467 0.640 1
1 101 . 18 1 1 A 19 19 GLY N N 19 113.601 110.354 3.247 1
1 102 . 18 1 1 A 19 19 GLY H H 19 8.268 8.276 -0.008 1
1 103 . 18 1 1 A 19 19 GLY CA C 19 46.294 45.410 0.884 1
1 104 . 18 1 1 A 19 19 GLY HA3 H 19 4.251 4.135 0.116 1
1 105 . 18 1 1 A 19 19 GLY C C 19 173.687 174.588 -0.901 1
1 106 . 18 1 1 A 19 19 GLY HA2 H 19 3.794 4.105 -0.311 1
1 107 . 18 1 1 A 20 20 LYS N N 20 121.922 119.089 2.833 1
1 108 . 18 1 1 A 20 20 LYS H H 20 7.833 8.012 -0.179 1
1 109 . 18 1 1 A 20 20 LYS CA C 20 58.157 55.875 2.282 1
1 110 . 18 1 1 A 20 20 LYS HA H 20 4.133 4.715 -0.582 1
1 111 . 18 1 1 A 20 20 LYS CB C 20 34.348 34.611 -0.263 1
1 119 . 18 1 1 A 20 20 LYS C C 20 174.006 175.420 -1.414 1
1 124 . 18 1 1 A 21 21 PHE N N 21 121.592 122.930 -1.338 1
1 125 . 18 1 1 A 21 21 PHE H H 21 8.197 8.736 -0.539 1
1 126 . 18 1 1 A 21 21 PHE CA C 21 57.064 56.571 0.493 1
1 127 . 18 1 1 A 21 21 PHE HA H 21 5.118 5.655 -0.537 1
1 128 . 18 1 1 A 21 21 PHE CB C 21 42.295 43.038 -0.743 1
1 140 . 18 1 1 A 21 21 PHE C C 21 174.756 173.299 1.457 1
1 142 . 18 1 1 A 22 22 PHE N N 22 122.744 123.218 -0.474 1
1 143 . 18 1 1 A 22 22 PHE H H 22 8.535 7.698 0.837 1
1 144 . 18 1 1 A 22 22 PHE CA C 22 56.937 56.313 0.624 1
1 145 . 18 1 1 A 22 22 PHE HA H 22 4.467 4.973 -0.506 1
1 146 . 18 1 1 A 22 22 PHE CB C 22 42.745 44.254 -1.509 1
1 158 . 18 1 1 A 22 22 PHE C C 22 174.570 174.914 -0.344 1
1 160 . 18 1 1 A 23 23 LEU N N 23 124.547 120.819 3.728 1
1 161 . 18 1 1 A 23 23 LEU H H 23 8.632 8.460 0.172 1
1 162 . 18 1 1 A 23 23 LEU CA C 23 57.016 55.597 1.419 1
1 163 . 18 1 1 A 23 23 LEU HA H 23 4.190 4.483 -0.293 1
1 164 . 18 1 1 A 23 23 LEU CB C 23 43.006 43.919 -0.913 1
1 176 . 18 1 1 A 23 23 LEU C C 23 177.399 176.286 1.113 1
1 178 . 18 1 1 A 24 24 GLN N N 24 115.779 118.241 -2.462 1
1 179 . 18 1 1 A 24 24 GLN H H 24 8.246 7.616 0.630 1
1 180 . 18 1 1 A 24 24 GLN CA C 24 54.687 54.902 -0.215 1
1 181 . 18 1 1 A 24 24 GLN HA H 24 4.787 4.616 0.171 1
1 182 . 18 1 1 A 24 24 GLN CB C 24 29.974 28.911 1.063 1
1 189 . 18 1 1 A 24 24 GLN C C 24 176.712 176.122 0.590 1
1 192 . 18 1 1 A 25 25 ALA CA C 25 55.575 55.520 0.055 1
1 193 . 18 1 1 A 25 25 ALA HA H 25 3.542 3.540 0.002 1
1 194 . 18 1 1 A 25 25 ALA CB C 25 18.019 18.205 -0.186 1
1 198 . 18 1 1 A 25 25 ALA C C 25 179.282 179.499 -0.217 1
1 199 . 18 1 1 A 26 26 SER N N 26 111.647 112.899 -1.252 1
1 200 . 18 1 1 A 26 26 SER H H 26 8.886 8.409 0.477 1
1 201 . 18 1 1 A 26 26 SER CA C 26 61.362 61.492 -0.130 1
1 202 . 18 1 1 A 26 26 SER HA H 26 4.039 4.183 -0.144 1
1 203 . 18 1 1 A 26 26 SER CB C 26 61.561 62.787 -1.226 1
1 205 . 18 1 1 A 26 26 SER C C 26 177.406 177.348 0.058 1
1 207 . 18 1 1 A 27 27 ASN N N 27 119.503 119.386 0.117 1
1 208 . 18 1 1 A 27 27 ASN H H 27 7.021 8.013 -0.992 1
1 209 . 18 1 1 A 27 27 ASN CA C 27 55.428 56.387 -0.959 1
1 210 . 18 1 1 A 27 27 ASN HA H 27 4.575 4.434 0.141 1
1 211 . 18 1 1 A 27 27 ASN CB C 27 38.410 37.850 0.560 1
1 216 . 18 1 1 A 27 27 ASN C C 27 177.285 178.091 -0.806 1
1 218 . 18 1 1 A 28 28 PHE N N 28 123.068 122.250 0.818 1
1 219 . 18 1 1 A 28 28 PHE H H 28 7.786 8.175 -0.389 1
1 220 . 18 1 1 A 28 28 PHE CA C 28 60.488 60.438 0.050 1
1 221 . 18 1 1 A 28 28 PHE HA H 28 3.240 3.211 0.029 1
1 222 . 18 1 1 A 28 28 PHE CB C 28 38.809 38.980 -0.171 1
1 234 . 18 1 1 A 28 28 PHE C C 28 175.850 176.978 -1.128 1
1 236 . 18 1 1 A 29 29 ILE N N 29 119.421 119.469 -0.048 1
1 237 . 18 1 1 A 29 29 ILE H H 29 8.501 8.330 0.171 1
1 238 . 18 1 1 A 29 29 ILE CA C 29 64.558 64.827 -0.269 1
1 239 . 18 1 1 A 29 29 ILE HA H 29 3.221 3.405 -0.184 1
1 240 . 18 1 1 A 29 29 ILE CB C 29 37.818 37.653 0.165 1
1 252 . 18 1 1 A 29 29 ILE C C 29 178.885 178.331 0.554 1
1 254 . 18 1 1 A 30 30 GLN N N 30 117.482 118.448 -0.966 1
1 255 . 18 1 1 A 30 30 GLN H H 30 7.343 8.167 -0.824 1
1 256 . 18 1 1 A 30 30 GLN CA C 30 58.656 57.923 0.733 1
1 257 . 18 1 1 A 30 30 GLN HA H 30 3.885 4.055 -0.170 1
1 258 . 18 1 1 A 30 30 GLN CB C 30 28.460 28.540 -0.080 1
1 265 . 18 1 1 A 30 30 GLN C C 30 178.347 177.777 0.570 1
1 268 . 18 1 1 A 31 31 HIS N N 31 119.125 120.981 -1.856 1
1 269 . 18 1 1 A 31 31 HIS H H 31 7.738 7.835 -0.097 1
1 270 . 18 1 1 A 31 31 HIS CA C 31 59.348 58.701 0.647 1
1 271 . 18 1 1 A 31 31 HIS HA H 31 4.052 4.106 -0.054 1
1 272 . 18 1 1 A 31 31 HIS CB C 31 28.129 29.678 -1.549 1
1 278 . 18 1 1 A 31 31 HIS C C 31 176.394 176.991 -0.597 1
1 280 . 18 1 1 A 32 32 ARG N N 32 115.404 118.195 -2.791 1
1 281 . 18 1 1 A 32 32 ARG H H 32 7.920 7.668 0.252 1
1 282 . 18 1 1 A 32 32 ARG CA C 32 58.191 58.269 -0.078 1
1 283 . 18 1 1 A 32 32 ARG HA H 32 3.510 4.011 -0.501 1
1 284 . 18 1 1 A 32 32 ARG CB C 32 28.088 29.795 -1.707 1
1 290 . 18 1 1 A 32 32 ARG C C 32 177.828 178.125 -0.297 1
1 294 . 18 1 1 A 33 33 ARG N N 33 116.284 118.064 -1.780 1
1 295 . 18 1 1 A 33 33 ARG H H 33 7.025 7.830 -0.805 1
1 296 . 18 1 1 A 33 33 ARG CA C 33 58.538 59.086 -0.548 1
1 297 . 18 1 1 A 33 33 ARG HA H 33 4.094 3.996 0.098 1
1 298 . 18 1 1 A 33 33 ARG CB C 33 29.994 30.507 -0.513 1
1 304 . 18 1 1 A 33 33 ARG C C 33 178.632 178.787 -0.155 1
1 308 . 18 1 1 A 34 34 ILE N N 34 116.774 116.984 -0.210 1
1 309 . 18 1 1 A 34 34 ILE H H 34 7.715 7.643 0.072 1
1 310 . 18 1 1 A 34 34 ILE CA C 34 63.294 64.061 -0.767 1
1 311 . 18 1 1 A 34 34 ILE HA H 34 3.886 3.753 0.133 1
1 312 . 18 1 1 A 34 34 ILE CB C 34 37.481 37.233 0.248 1
1 324 . 18 1 1 A 34 34 ILE C C 34 177.422 177.409 0.013 1
1 326 . 18 1 1 A 35 35 HIS N N 35 117.061 119.516 -2.455 1
1 327 . 18 1 1 A 35 35 HIS H H 35 7.143 7.327 -0.184 1
1 328 . 18 1 1 A 35 35 HIS CA C 35 55.554 59.064 -3.510 1
1 329 . 18 1 1 A 35 35 HIS HA H 35 4.798 4.372 0.426 1
1 330 . 18 1 1 A 35 35 HIS CB C 35 28.994 30.795 -1.801 1
1 336 . 18 1 1 A 35 35 HIS C C 35 176.009 175.466 0.543 1
1 338 . 18 1 1 A 36 36 THR N N 36 110.946 111.436 -0.490 1
1 339 . 18 1 1 A 36 36 THR H H 36 7.834 7.761 0.073 1
1 340 . 18 1 1 A 36 36 THR CA C 36 62.550 62.469 0.081 1
1 341 . 18 1 1 A 36 36 THR HA H 36 4.312 4.119 0.193 1
1 342 . 18 1 1 A 36 36 THR CB C 36 69.804 69.106 0.698 1
1 348 . 18 1 1 A 36 36 THR C C 36 175.635 173.993 1.642 1
1 349 . 18 1 1 A 37 37 GLY N N 37 110.649 111.398 -0.749 1
1 350 . 18 1 1 A 37 37 GLY H H 37 8.196 8.517 -0.321 1
1 351 . 18 1 1 A 37 37 GLY CA C 37 45.414 45.920 -0.506 1
1 352 . 18 1 1 A 37 37 GLY HA3 H 37 3.920 3.987 -0.067 1
1 353 . 18 1 1 A 37 37 GLY C C 37 174.050 173.899 0.151 1
1 354 . 18 1 1 A 37 37 GLY HA2 H 37 4.016 3.981 0.035 1
1 355 . 18 1 1 A 38 38 GLU N N 38 120.504 120.903 -0.399 1
1 356 . 18 1 1 A 38 38 GLU H H 38 8.039 8.053 -0.014 1
1 357 . 18 1 1 A 38 38 GLU CA C 38 56.537 56.869 -0.332 1
1 358 . 18 1 1 A 38 38 GLU HA H 38 4.215 4.267 -0.052 1
1 359 . 18 1 1 A 38 38 GLU CB C 38 30.588 30.442 0.146 1
1 363 . 18 1 1 A 38 38 GLU C C 38 176.107 175.811 0.296 1
1 366 . 18 1 1 A 39 39 LYS N N 39 123.777 127.337 -3.560 1
1 367 . 18 1 1 A 39 39 LYS H H 39 8.401 8.485 -0.084 1
1 368 . 18 1 1 A 39 39 LYS CA C 39 54.099 53.630 0.469 1
1 369 . 18 1 1 A 39 39 LYS HA H 39 4.599 4.735 -0.136 1
1 370 . 18 1 1 A 39 39 LYS CB C 39 32.530 34.484 -1.954 1
1 378 . 18 1 1 A 39 39 LYS C C 39 174.452 175.320 -0.868 1
1 383 . 18 1 1 A 40 40 PRO CA C 40 63.195 62.669 0.526 1
1 384 . 18 1 1 A 40 40 PRO HA H 40 4.445 4.582 -0.137 1
1 385 . 18 1 1 A 40 40 PRO CB C 40 32.187 32.903 -0.716 1
1 391 . 18 1 1 A 40 40 PRO C C 40 176.911 176.361 0.550 1
1 395 . 18 1 1 A 41 41 SER N N 41 116.485 117.791 -1.306 1
1 396 . 18 1 1 A 41 41 SER H H 41 8.449 8.532 -0.083 1
1 397 . 18 1 1 A 41 41 SER CA C 41 58.467 57.933 0.534 1
1 398 . 18 1 1 A 41 41 SER HA H 41 4.468 4.627 -0.159 1
1 399 . 18 1 1 A 41 41 SER CB C 41 63.909 61.144 2.765 1
1 401 . 18 1 1 A 41 41 SER C C 41 174.617 174.853 -0.236 1
1 403 . 18 1 1 A 42 42 GLY N N 42 110.609 111.640 -1.031 1
1 404 . 18 1 1 A 42 42 GLY H H 42 8.216 8.348 -0.132 1
1 405 . 18 1 1 A 42 42 GLY CA C 42 44.673 46.046 -1.373 1
1 406 . 18 1 1 A 42 42 GLY HA3 H 42 4.114 4.026 0.088 1
1 407 . 18 1 1 A 42 42 GLY C C 42 171.713 173.676 -1.963 1
1 408 . 18 1 1 A 42 42 GLY HA2 H 42 4.158 4.026 0.132 1
1 409 . 18 1 1 A 43 43 PRO CA C 43 63.260 62.803 0.457 1
1 410 . 18 1 1 A 43 43 PRO HA H 43 4.484 4.678 -0.194 1
1 411 . 18 1 1 A 43 43 PRO CB C 43 32.216 31.623 0.593 1
1 417 . 18 1 1 A 43 43 PRO C C 43 177.352 176.064 1.288 1
1 421 . 18 1 1 A 44 44 SER N N 44 116.409 120.277 -3.868 1
1 422 . 18 1 1 A 44 44 SER H H 44 8.511 8.603 -0.092 1
1 423 . 18 1 1 A 44 44 SER CA C 44 58.392 57.790 0.602 1
1 424 . 18 1 1 A 44 44 SER HA H 44 4.466 4.875 -0.409 1
1 425 . 18 1 1 A 44 44 SER CB C 44 63.748 66.124 -2.376 1
1 427 . 18 1 1 A 44 44 SER C C 44 174.615 173.153 1.462 1
1 429 . 18 1 1 A 45 45 SER N N 45 117.817 116.383 1.434 1
1 430 . 18 1 1 A 45 45 SER H H 45 8.303 8.707 -0.404 1
1 431 . 18 1 1 A 45 45 SER CA C 45 58.381 57.023 1.358 1
1 432 . 18 1 1 A 45 45 SER HA H 45 4.452 4.761 -0.309 1
1 433 . 18 1 1 A 45 45 SER CB C 45 64.070 63.590 0.480 1
1 435 . 18 1 1 A 45 45 SER C C 45 173.885 173.874 0.011 1
1 1 . 19 1 1 A 8 8 HIS CA C 8 56.329 54.231 2.098 1
1 2 . 19 1 1 A 8 8 HIS HA H 8 4.628 5.300 -0.672 1
1 3 . 19 1 1 A 8 8 HIS CB C 8 30.709 31.125 -0.416 1
1 10 . 19 1 1 A 9 9 GLY CA C 9 45.330 45.210 0.120 1
1 11 . 19 1 1 A 9 9 GLY HA3 H 9 3.909 4.085 -0.176 1
1 12 . 19 1 1 A 9 9 GLY C C 9 174.145 174.526 -0.381 1
1 13 . 19 1 1 A 9 9 GLY HA2 H 9 3.909 4.002 -0.093 1
1 14 . 19 1 1 A 10 10 GLU N N 10 120.846 123.504 -2.658 1
1 15 . 19 1 1 A 10 10 GLU H H 10 8.353 9.065 -0.712 1
1 16 . 19 1 1 A 10 10 GLU CA C 10 56.524 59.274 -2.750 1
1 17 . 19 1 1 A 10 10 GLU HA H 10 4.225 4.220 0.005 1
1 18 . 19 1 1 A 10 10 GLU CB C 10 30.384 29.163 1.221 1
1 22 . 19 1 1 A 10 10 GLU C C 10 176.348 176.677 -0.329 1
1 25 . 19 1 1 A 11 11 ARG N N 11 121.539 121.209 0.330 1
1 26 . 19 1 1 A 11 11 ARG H H 11 8.281 7.888 0.393 1
1 27 . 19 1 1 A 11 11 ARG CA C 11 56.005 57.826 -1.821 1
1 28 . 19 1 1 A 11 11 ARG HA H 11 4.316 4.011 0.305 1
1 29 . 19 1 1 A 11 11 ARG CB C 11 31.130 29.723 1.407 1
1 35 . 19 1 1 A 11 11 ARG C C 11 176.001 175.370 0.631 1
1 39 . 19 1 1 A 12 12 GLY N N 12 107.819 111.617 -3.798 1
1 40 . 19 1 1 A 12 12 GLY H H 12 8.075 8.142 -0.067 1
1 41 . 19 1 1 A 12 12 GLY CA C 12 44.814 44.402 0.412 1
1 42 . 19 1 1 A 12 12 GLY HA3 H 12 4.014 3.834 0.180 1
1 43 . 19 1 1 A 12 12 GLY C C 12 172.193 171.376 0.817 1
1 44 . 19 1 1 A 12 12 GLY HA2 H 12 3.651 3.765 -0.114 1
1 45 . 19 1 1 A 13 13 HIS N N 13 119.279 117.799 1.480 1
1 46 . 19 1 1 A 13 13 HIS H H 13 8.024 8.187 -0.163 1
1 47 . 19 1 1 A 13 13 HIS CA C 13 55.118 53.928 1.190 1
1 48 . 19 1 1 A 13 13 HIS HA H 13 4.235 4.798 -0.563 1
1 49 . 19 1 1 A 13 13 HIS CB C 13 31.866 31.530 0.336 1
1 55 . 19 1 1 A 13 13 HIS C C 13 173.211 173.247 -0.036 1
1 57 . 19 1 1 A 14 14 ARG N N 14 124.116 125.351 -1.235 1
1 58 . 19 1 1 A 14 14 ARG H H 14 8.606 8.862 -0.256 1
1 59 . 19 1 1 A 14 14 ARG CA C 14 54.263 54.954 -0.691 1
1 60 . 19 1 1 A 14 14 ARG HA H 14 4.820 5.379 -0.559 1
1 61 . 19 1 1 A 14 14 ARG CB C 14 32.523 32.057 0.466 1
1 67 . 19 1 1 A 14 14 ARG C C 14 175.690 176.593 -0.903 1
1 71 . 19 1 1 A 15 15 CYS N N 15 128.999 125.260 3.739 1
1 72 . 19 1 1 A 15 15 CYS H H 15 9.354 9.310 0.044 1
1 73 . 19 1 1 A 15 15 CYS CA C 15 59.902 59.449 0.453 1
1 74 . 19 1 1 A 15 15 CYS HA H 15 4.843 5.031 -0.188 1
1 75 . 19 1 1 A 15 15 CYS CB C 15 30.080 29.517 0.563 1
1 77 . 19 1 1 A 15 15 CYS C C 15 177.294 174.731 2.563 1
1 79 . 19 1 1 A 16 16 SER CA C 16 61.138 60.121 1.017 1
1 80 . 19 1 1 A 16 16 SER HA H 16 4.245 4.595 -0.350 1
1 81 . 19 1 1 A 16 16 SER CB C 16 63.060 64.007 -0.947 1
1 83 . 19 1 1 A 16 16 SER C C 16 174.763 175.377 -0.614 1
1 85 . 19 1 1 A 17 17 ASP N N 17 121.918 122.149 -0.231 1
1 86 . 19 1 1 A 17 17 ASP H H 17 8.415 7.841 0.574 1
1 87 . 19 1 1 A 17 17 ASP CA C 17 57.173 57.115 0.058 1
1 88 . 19 1 1 A 17 17 ASP HA H 17 4.602 4.215 0.387 1
1 89 . 19 1 1 A 17 17 ASP CB C 17 41.250 39.553 1.697 1
1 91 . 19 1 1 A 17 17 ASP C C 17 176.420 177.673 -1.253 1
1 93 . 19 1 1 A 18 18 CYS N N 18 114.553 114.241 0.312 1
1 94 . 19 1 1 A 18 18 CYS H H 18 7.796 7.448 0.348 1
1 95 . 19 1 1 A 18 18 CYS CA C 18 58.608 59.522 -0.914 1
1 96 . 19 1 1 A 18 18 CYS HA H 18 5.206 4.618 0.588 1
1 97 . 19 1 1 A 18 18 CYS CB C 18 32.187 29.941 2.246 1
1 99 . 19 1 1 A 18 18 CYS C C 18 176.107 175.476 0.631 1
1 101 . 19 1 1 A 19 19 GLY N N 19 113.601 110.459 3.142 1
1 102 . 19 1 1 A 19 19 GLY H H 19 8.268 8.289 -0.021 1
1 103 . 19 1 1 A 19 19 GLY CA C 19 46.294 45.390 0.904 1
1 104 . 19 1 1 A 19 19 GLY HA3 H 19 4.251 4.139 0.112 1
1 105 . 19 1 1 A 19 19 GLY C C 19 173.687 174.599 -0.912 1
1 106 . 19 1 1 A 19 19 GLY HA2 H 19 3.794 4.106 -0.312 1
1 107 . 19 1 1 A 20 20 LYS N N 20 121.922 119.423 2.499 1
1 108 . 19 1 1 A 20 20 LYS H H 20 7.833 8.003 -0.170 1
1 109 . 19 1 1 A 20 20 LYS CA C 20 58.157 55.944 2.213 1
1 110 . 19 1 1 A 20 20 LYS HA H 20 4.133 4.703 -0.570 1
1 111 . 19 1 1 A 20 20 LYS CB C 20 34.348 34.742 -0.394 1
1 119 . 19 1 1 A 20 20 LYS C C 20 174.006 175.441 -1.435 1
1 124 . 19 1 1 A 21 21 PHE N N 21 121.592 122.922 -1.330 1
1 125 . 19 1 1 A 21 21 PHE H H 21 8.197 8.729 -0.532 1
1 126 . 19 1 1 A 21 21 PHE CA C 21 57.064 56.506 0.558 1
1 127 . 19 1 1 A 21 21 PHE HA H 21 5.118 5.582 -0.464 1
1 128 . 19 1 1 A 21 21 PHE CB C 21 42.295 43.037 -0.742 1
1 140 . 19 1 1 A 21 21 PHE C C 21 174.756 173.286 1.470 1
1 142 . 19 1 1 A 22 22 PHE N N 22 122.744 123.848 -1.104 1
1 143 . 19 1 1 A 22 22 PHE H H 22 8.535 7.968 0.567 1
1 144 . 19 1 1 A 22 22 PHE CA C 22 56.937 56.224 0.713 1
1 145 . 19 1 1 A 22 22 PHE HA H 22 4.467 4.934 -0.467 1
1 146 . 19 1 1 A 22 22 PHE CB C 22 42.745 43.910 -1.165 1
1 158 . 19 1 1 A 22 22 PHE C C 22 174.570 174.941 -0.371 1
1 160 . 19 1 1 A 23 23 LEU N N 23 124.547 121.210 3.337 1
1 161 . 19 1 1 A 23 23 LEU H H 23 8.632 8.539 0.093 1
1 162 . 19 1 1 A 23 23 LEU CA C 23 57.016 55.173 1.843 1
1 163 . 19 1 1 A 23 23 LEU HA H 23 4.190 4.497 -0.307 1
1 164 . 19 1 1 A 23 23 LEU CB C 23 43.006 43.704 -0.698 1
1 176 . 19 1 1 A 23 23 LEU C C 23 177.399 176.420 0.979 1
1 178 . 19 1 1 A 24 24 GLN N N 24 115.779 118.718 -2.939 1
1 179 . 19 1 1 A 24 24 GLN H H 24 8.246 7.606 0.640 1
1 180 . 19 1 1 A 24 24 GLN CA C 24 54.687 54.799 -0.112 1
1 181 . 19 1 1 A 24 24 GLN HA H 24 4.787 4.674 0.113 1
1 182 . 19 1 1 A 24 24 GLN CB C 24 29.974 29.529 0.445 1
1 189 . 19 1 1 A 24 24 GLN C C 24 176.712 176.149 0.563 1
1 192 . 19 1 1 A 25 25 ALA CA C 25 55.575 55.536 0.039 1
1 193 . 19 1 1 A 25 25 ALA HA H 25 3.542 3.299 0.243 1
1 194 . 19 1 1 A 25 25 ALA CB C 25 18.019 18.172 -0.153 1
1 198 . 19 1 1 A 25 25 ALA C C 25 179.282 179.484 -0.202 1
1 199 . 19 1 1 A 26 26 SER N N 26 111.647 112.473 -0.826 1
1 200 . 19 1 1 A 26 26 SER H H 26 8.886 8.254 0.632 1
1 201 . 19 1 1 A 26 26 SER CA C 26 61.362 61.347 0.015 1
1 202 . 19 1 1 A 26 26 SER HA H 26 4.039 4.203 -0.164 1
1 203 . 19 1 1 A 26 26 SER CB C 26 61.561 62.612 -1.051 1
1 205 . 19 1 1 A 26 26 SER C C 26 177.406 177.157 0.249 1
1 207 . 19 1 1 A 27 27 ASN N N 27 119.503 120.030 -0.527 1
1 208 . 19 1 1 A 27 27 ASN H H 27 7.021 8.184 -1.163 1
1 209 . 19 1 1 A 27 27 ASN CA C 27 55.428 56.061 -0.633 1
1 210 . 19 1 1 A 27 27 ASN HA H 27 4.575 4.560 0.015 1
1 211 . 19 1 1 A 27 27 ASN CB C 27 38.410 37.962 0.448 1
1 216 . 19 1 1 A 27 27 ASN C C 27 177.285 177.757 -0.472 1
1 218 . 19 1 1 A 28 28 PHE N N 28 123.068 121.691 1.377 1
1 219 . 19 1 1 A 28 28 PHE H H 28 7.786 8.315 -0.529 1
1 220 . 19 1 1 A 28 28 PHE CA C 28 60.488 60.207 0.281 1
1 221 . 19 1 1 A 28 28 PHE HA H 28 3.240 3.146 0.094 1
1 222 . 19 1 1 A 28 28 PHE CB C 28 38.809 39.096 -0.287 1
1 234 . 19 1 1 A 28 28 PHE C C 28 175.850 176.847 -0.997 1
1 236 . 19 1 1 A 29 29 ILE N N 29 119.421 119.556 -0.135 1
1 237 . 19 1 1 A 29 29 ILE H H 29 8.501 8.062 0.439 1
1 238 . 19 1 1 A 29 29 ILE CA C 29 64.558 64.543 0.015 1
1 239 . 19 1 1 A 29 29 ILE HA H 29 3.221 3.428 -0.207 1
1 240 . 19 1 1 A 29 29 ILE CB C 29 37.818 37.228 0.590 1
1 252 . 19 1 1 A 29 29 ILE C C 29 178.885 178.706 0.179 1
1 254 . 19 1 1 A 30 30 GLN N N 30 117.482 117.609 -0.127 1
1 255 . 19 1 1 A 30 30 GLN H H 30 7.343 7.812 -0.469 1
1 256 . 19 1 1 A 30 30 GLN CA C 30 58.656 57.713 0.943 1
1 257 . 19 1 1 A 30 30 GLN HA H 30 3.885 4.085 -0.200 1
1 258 . 19 1 1 A 30 30 GLN CB C 30 28.460 28.404 0.056 1
1 265 . 19 1 1 A 30 30 GLN C C 30 178.347 177.383 0.964 1
1 268 . 19 1 1 A 31 31 HIS N N 31 119.125 120.625 -1.500 1
1 269 . 19 1 1 A 31 31 HIS H H 31 7.738 7.877 -0.139 1
1 270 . 19 1 1 A 31 31 HIS CA C 31 59.348 58.646 0.702 1
1 271 . 19 1 1 A 31 31 HIS HA H 31 4.052 4.233 -0.181 1
1 272 . 19 1 1 A 31 31 HIS CB C 31 28.129 29.877 -1.748 1
1 278 . 19 1 1 A 31 31 HIS C C 31 176.394 176.952 -0.558 1
1 280 . 19 1 1 A 32 32 ARG N N 32 115.404 118.130 -2.726 1
1 281 . 19 1 1 A 32 32 ARG H H 32 7.920 7.633 0.287 1
1 282 . 19 1 1 A 32 32 ARG CA C 32 58.191 58.097 0.094 1
1 283 . 19 1 1 A 32 32 ARG HA H 32 3.510 3.999 -0.489 1
1 284 . 19 1 1 A 32 32 ARG CB C 32 28.088 29.733 -1.645 1
1 290 . 19 1 1 A 32 32 ARG C C 32 177.828 177.699 0.129 1
1 294 . 19 1 1 A 33 33 ARG N N 33 116.284 118.026 -1.742 1
1 295 . 19 1 1 A 33 33 ARG H H 33 7.025 7.712 -0.687 1
1 296 . 19 1 1 A 33 33 ARG CA C 33 58.538 58.705 -0.167 1
1 297 . 19 1 1 A 33 33 ARG HA H 33 4.094 4.013 0.081 1
1 298 . 19 1 1 A 33 33 ARG CB C 33 29.994 30.056 -0.062 1
1 304 . 19 1 1 A 33 33 ARG C C 33 178.632 178.909 -0.277 1
1 308 . 19 1 1 A 34 34 ILE N N 34 116.774 116.694 0.080 1
1 309 . 19 1 1 A 34 34 ILE H H 34 7.715 7.520 0.195 1
1 310 . 19 1 1 A 34 34 ILE CA C 34 63.294 64.193 -0.899 1
1 311 . 19 1 1 A 34 34 ILE HA H 34 3.886 3.701 0.185 1
1 312 . 19 1 1 A 34 34 ILE CB C 34 37.481 37.285 0.196 1
1 324 . 19 1 1 A 34 34 ILE C C 34 177.422 177.114 0.308 1
1 326 . 19 1 1 A 35 35 HIS N N 35 117.061 120.677 -3.616 1
1 327 . 19 1 1 A 35 35 HIS H H 35 7.143 7.344 -0.201 1
1 328 . 19 1 1 A 35 35 HIS CA C 35 55.554 58.895 -3.341 1
1 329 . 19 1 1 A 35 35 HIS HA H 35 4.798 4.359 0.439 1
1 330 . 19 1 1 A 35 35 HIS CB C 35 28.994 30.161 -1.167 1
1 336 . 19 1 1 A 35 35 HIS C C 35 176.009 177.397 -1.388 1
1 338 . 19 1 1 A 36 36 THR N N 36 110.946 111.819 -0.873 1
1 339 . 19 1 1 A 36 36 THR H H 36 7.834 8.609 -0.775 1
1 340 . 19 1 1 A 36 36 THR CA C 36 62.550 65.505 -2.955 1
1 341 . 19 1 1 A 36 36 THR HA H 36 4.312 3.932 0.380 1
1 342 . 19 1 1 A 36 36 THR CB C 36 69.804 68.065 1.739 1
1 348 . 19 1 1 A 36 36 THR C C 36 175.635 176.725 -1.090 1
1 349 . 19 1 1 A 37 37 GLY N N 37 110.649 110.976 -0.327 1
1 350 . 19 1 1 A 37 37 GLY H H 37 8.196 8.480 -0.284 1
1 351 . 19 1 1 A 37 37 GLY CA C 37 45.414 47.278 -1.864 1
1 352 . 19 1 1 A 37 37 GLY HA3 H 37 3.920 3.683 0.237 1
1 353 . 19 1 1 A 37 37 GLY C C 37 174.050 174.679 -0.629 1
1 354 . 19 1 1 A 37 37 GLY HA2 H 37 4.016 3.672 0.344 1
1 355 . 19 1 1 A 38 38 GLU N N 38 120.504 117.146 3.358 1
1 356 . 19 1 1 A 38 38 GLU H H 38 8.039 7.695 0.344 1
1 357 . 19 1 1 A 38 38 GLU CA C 38 56.537 55.696 0.841 1
1 358 . 19 1 1 A 38 38 GLU HA H 38 4.215 4.408 -0.193 1
1 359 . 19 1 1 A 38 38 GLU CB C 38 30.588 30.465 0.123 1
1 363 . 19 1 1 A 38 38 GLU C C 38 176.107 176.020 0.087 1
1 366 . 19 1 1 A 39 39 LYS N N 39 123.777 117.563 6.214 1
1 367 . 19 1 1 A 39 39 LYS H H 39 8.401 8.973 -0.572 1
1 368 . 19 1 1 A 39 39 LYS CA C 39 54.099 53.919 0.180 1
1 369 . 19 1 1 A 39 39 LYS HA H 39 4.599 5.006 -0.407 1
1 370 . 19 1 1 A 39 39 LYS CB C 39 32.530 35.799 -3.269 1
1 378 . 19 1 1 A 39 39 LYS C C 39 174.452 173.491 0.961 1
1 383 . 19 1 1 A 40 40 PRO CA C 40 63.195 62.911 0.284 1
1 384 . 19 1 1 A 40 40 PRO HA H 40 4.445 4.489 -0.044 1
1 385 . 19 1 1 A 40 40 PRO CB C 40 32.187 31.955 0.232 1
1 391 . 19 1 1 A 40 40 PRO C C 40 176.911 176.744 0.167 1
1 395 . 19 1 1 A 41 41 SER N N 41 116.485 118.453 -1.968 1
1 396 . 19 1 1 A 41 41 SER H H 41 8.449 8.555 -0.106 1
1 397 . 19 1 1 A 41 41 SER CA C 41 58.467 60.122 -1.655 1
1 398 . 19 1 1 A 41 41 SER HA H 41 4.468 4.197 0.271 1
1 399 . 19 1 1 A 41 41 SER CB C 41 63.909 62.619 1.290 1
1 401 . 19 1 1 A 41 41 SER C C 41 174.617 175.406 -0.789 1
1 403 . 19 1 1 A 42 42 GLY N N 42 110.609 114.309 -3.700 1
1 404 . 19 1 1 A 42 42 GLY H H 42 8.216 8.947 -0.731 1
1 405 . 19 1 1 A 42 42 GLY CA C 42 44.673 47.084 -2.411 1
1 406 . 19 1 1 A 42 42 GLY HA3 H 42 4.114 3.867 0.247 1
1 407 . 19 1 1 A 42 42 GLY C C 42 171.713 174.004 -2.291 1
1 408 . 19 1 1 A 42 42 GLY HA2 H 42 4.158 3.866 0.292 1
1 409 . 19 1 1 A 43 43 PRO CA C 43 63.260 62.410 0.850 1
1 410 . 19 1 1 A 43 43 PRO HA H 43 4.484 4.572 -0.088 1
1 411 . 19 1 1 A 43 43 PRO CB C 43 32.216 32.765 -0.549 1
1 417 . 19 1 1 A 43 43 PRO C C 43 177.352 176.236 1.116 1
1 421 . 19 1 1 A 44 44 SER N N 44 116.409 118.073 -1.664 1
1 422 . 19 1 1 A 44 44 SER H H 44 8.511 8.479 0.032 1
1 423 . 19 1 1 A 44 44 SER CA C 44 58.392 59.683 -1.291 1
1 424 . 19 1 1 A 44 44 SER HA H 44 4.466 4.557 -0.091 1
1 425 . 19 1 1 A 44 44 SER CB C 44 63.748 63.785 -0.037 1
1 427 . 19 1 1 A 44 44 SER C C 44 174.615 173.749 0.866 1
1 429 . 19 1 1 A 45 45 SER N N 45 117.817 121.088 -3.271 1
1 430 . 19 1 1 A 45 45 SER H H 45 8.303 8.660 -0.357 1
1 431 . 19 1 1 A 45 45 SER CA C 45 58.381 56.637 1.744 1
1 432 . 19 1 1 A 45 45 SER HA H 45 4.452 5.050 -0.598 1
1 433 . 19 1 1 A 45 45 SER CB C 45 64.070 64.463 -0.393 1
1 435 . 19 1 1 A 45 45 SER C C 45 173.885 173.689 0.196 1
1 1 . 20 1 1 A 8 8 HIS CA C 8 56.329 55.192 1.137 1
1 2 . 20 1 1 A 8 8 HIS HA H 8 4.628 4.997 -0.369 1
1 3 . 20 1 1 A 8 8 HIS CB C 8 30.709 30.331 0.378 1
1 10 . 20 1 1 A 9 9 GLY CA C 9 45.330 44.740 0.590 1
1 11 . 20 1 1 A 9 9 GLY HA3 H 9 3.909 3.969 -0.060 1
1 12 . 20 1 1 A 9 9 GLY C C 9 174.145 172.094 2.051 1
1 13 . 20 1 1 A 9 9 GLY HA2 H 9 3.909 3.956 -0.047 1
1 14 . 20 1 1 A 10 10 GLU N N 10 120.846 119.685 1.161 1
1 15 . 20 1 1 A 10 10 GLU H H 10 8.353 8.386 -0.033 1
1 16 . 20 1 1 A 10 10 GLU CA C 10 56.524 55.683 0.841 1
1 17 . 20 1 1 A 10 10 GLU HA H 10 4.225 5.025 -0.800 1
1 18 . 20 1 1 A 10 10 GLU CB C 10 30.384 33.600 -3.216 1
1 22 . 20 1 1 A 10 10 GLU C C 10 176.348 175.345 1.003 1
1 25 . 20 1 1 A 11 11 ARG N N 11 121.539 123.964 -2.425 1
1 26 . 20 1 1 A 11 11 ARG H H 11 8.281 8.761 -0.480 1
1 27 . 20 1 1 A 11 11 ARG CA C 11 56.005 55.141 0.864 1
1 28 . 20 1 1 A 11 11 ARG HA H 11 4.316 4.666 -0.350 1
1 29 . 20 1 1 A 11 11 ARG CB C 11 31.130 30.061 1.069 1
1 35 . 20 1 1 A 11 11 ARG C C 11 176.001 175.917 0.084 1
1 39 . 20 1 1 A 12 12 GLY N N 12 107.819 108.993 -1.174 1
1 40 . 20 1 1 A 12 12 GLY H H 12 8.075 7.505 0.570 1
1 41 . 20 1 1 A 12 12 GLY CA C 12 44.814 45.923 -1.109 1
1 42 . 20 1 1 A 12 12 GLY HA3 H 12 4.014 4.157 -0.143 1
1 43 . 20 1 1 A 12 12 GLY C C 12 172.193 171.287 0.906 1
1 44 . 20 1 1 A 12 12 GLY HA2 H 12 3.651 3.876 -0.225 1
1 45 . 20 1 1 A 13 13 HIS N N 13 119.279 118.090 1.189 1
1 46 . 20 1 1 A 13 13 HIS H H 13 8.024 8.083 -0.059 1
1 47 . 20 1 1 A 13 13 HIS CA C 13 55.118 54.212 0.906 1
1 48 . 20 1 1 A 13 13 HIS HA H 13 4.235 4.799 -0.564 1
1 49 . 20 1 1 A 13 13 HIS CB C 13 31.866 31.778 0.088 1
1 55 . 20 1 1 A 13 13 HIS C C 13 173.211 173.216 -0.005 1
1 57 . 20 1 1 A 14 14 ARG N N 14 124.116 124.913 -0.797 1
1 58 . 20 1 1 A 14 14 ARG H H 14 8.606 8.830 -0.224 1
1 59 . 20 1 1 A 14 14 ARG CA C 14 54.263 54.515 -0.252 1
1 60 . 20 1 1 A 14 14 ARG HA H 14 4.820 5.441 -0.621 1
1 61 . 20 1 1 A 14 14 ARG CB C 14 32.523 32.608 -0.085 1
1 67 . 20 1 1 A 14 14 ARG C C 14 175.690 176.476 -0.786 1
1 71 . 20 1 1 A 15 15 CYS N N 15 128.999 125.522 3.477 1
1 72 . 20 1 1 A 15 15 CYS H H 15 9.354 9.249 0.105 1
1 73 . 20 1 1 A 15 15 CYS CA C 15 59.902 59.591 0.311 1
1 74 . 20 1 1 A 15 15 CYS HA H 15 4.843 4.899 -0.056 1
1 75 . 20 1 1 A 15 15 CYS CB C 15 30.080 28.788 1.292 1
1 77 . 20 1 1 A 15 15 CYS C C 15 177.294 174.845 2.449 1
1 79 . 20 1 1 A 16 16 SER CA C 16 61.138 59.963 1.175 1
1 80 . 20 1 1 A 16 16 SER HA H 16 4.245 4.484 -0.239 1
1 81 . 20 1 1 A 16 16 SER CB C 16 63.060 63.881 -0.821 1
1 83 . 20 1 1 A 16 16 SER C C 16 174.763 176.308 -1.545 1
1 85 . 20 1 1 A 17 17 ASP N N 17 121.918 122.095 -0.177 1
1 86 . 20 1 1 A 17 17 ASP H H 17 8.415 7.628 0.787 1
1 87 . 20 1 1 A 17 17 ASP CA C 17 57.173 57.096 0.077 1
1 88 . 20 1 1 A 17 17 ASP HA H 17 4.602 4.312 0.290 1
1 89 . 20 1 1 A 17 17 ASP CB C 17 41.250 40.067 1.183 1
1 91 . 20 1 1 A 17 17 ASP C C 17 176.420 177.569 -1.149 1
1 93 . 20 1 1 A 18 18 CYS N N 18 114.553 114.378 0.175 1
1 94 . 20 1 1 A 18 18 CYS H H 18 7.796 7.993 -0.197 1
1 95 . 20 1 1 A 18 18 CYS CA C 18 58.608 59.678 -1.070 1
1 96 . 20 1 1 A 18 18 CYS HA H 18 5.206 4.704 0.502 1
1 97 . 20 1 1 A 18 18 CYS CB C 18 32.187 29.965 2.222 1
1 99 . 20 1 1 A 18 18 CYS C C 18 176.107 175.538 0.569 1
1 101 . 20 1 1 A 19 19 GLY N N 19 113.601 110.473 3.128 1
1 102 . 20 1 1 A 19 19 GLY H H 19 8.268 8.315 -0.047 1
1 103 . 20 1 1 A 19 19 GLY CA C 19 46.294 45.282 1.012 1
1 104 . 20 1 1 A 19 19 GLY HA3 H 19 4.251 4.143 0.108 1
1 105 . 20 1 1 A 19 19 GLY C C 19 173.687 174.730 -1.043 1
1 106 . 20 1 1 A 19 19 GLY HA2 H 19 3.794 4.116 -0.322 1
1 107 . 20 1 1 A 20 20 LYS N N 20 121.922 120.031 1.891 1
1 108 . 20 1 1 A 20 20 LYS H H 20 7.833 7.484 0.349 1
1 109 . 20 1 1 A 20 20 LYS CA C 20 58.157 56.386 1.771 1
1 110 . 20 1 1 A 20 20 LYS HA H 20 4.133 4.614 -0.481 1
1 111 . 20 1 1 A 20 20 LYS CB C 20 34.348 34.523 -0.175 1
1 119 . 20 1 1 A 20 20 LYS C C 20 174.006 175.410 -1.404 1
1 124 . 20 1 1 A 21 21 PHE N N 21 121.592 122.701 -1.109 1
1 125 . 20 1 1 A 21 21 PHE H H 21 8.197 8.810 -0.613 1
1 126 . 20 1 1 A 21 21 PHE CA C 21 57.064 56.874 0.190 1
1 127 . 20 1 1 A 21 21 PHE HA H 21 5.118 5.572 -0.454 1
1 128 . 20 1 1 A 21 21 PHE CB C 21 42.295 43.218 -0.923 1
1 140 . 20 1 1 A 21 21 PHE C C 21 174.756 173.286 1.470 1
1 142 . 20 1 1 A 22 22 PHE N N 22 122.744 122.688 0.056 1
1 143 . 20 1 1 A 22 22 PHE H H 22 8.535 7.762 0.773 1
1 144 . 20 1 1 A 22 22 PHE CA C 22 56.937 56.031 0.906 1
1 145 . 20 1 1 A 22 22 PHE HA H 22 4.467 4.950 -0.483 1
1 146 . 20 1 1 A 22 22 PHE CB C 22 42.745 44.183 -1.438 1
1 158 . 20 1 1 A 22 22 PHE C C 22 174.570 174.962 -0.392 1
1 160 . 20 1 1 A 23 23 LEU N N 23 124.547 120.074 4.473 1
1 161 . 20 1 1 A 23 23 LEU H H 23 8.632 8.533 0.099 1
1 162 . 20 1 1 A 23 23 LEU CA C 23 57.016 55.332 1.684 1
1 163 . 20 1 1 A 23 23 LEU HA H 23 4.190 4.571 -0.381 1
1 164 . 20 1 1 A 23 23 LEU CB C 23 43.006 44.159 -1.153 1
1 176 . 20 1 1 A 23 23 LEU C C 23 177.399 176.054 1.345 1
1 178 . 20 1 1 A 24 24 GLN N N 24 115.779 118.332 -2.553 1
1 179 . 20 1 1 A 24 24 GLN H H 24 8.246 7.649 0.597 1
1 180 . 20 1 1 A 24 24 GLN CA C 24 54.687 54.702 -0.015 1
1 181 . 20 1 1 A 24 24 GLN HA H 24 4.787 4.596 0.191 1
1 182 . 20 1 1 A 24 24 GLN CB C 24 29.974 29.416 0.558 1
1 189 . 20 1 1 A 24 24 GLN C C 24 176.712 175.920 0.792 1
1 192 . 20 1 1 A 25 25 ALA CA C 25 55.575 55.464 0.111 1
1 193 . 20 1 1 A 25 25 ALA HA H 25 3.542 3.173 0.369 1
1 194 . 20 1 1 A 25 25 ALA CB C 25 18.019 18.145 -0.126 1
1 198 . 20 1 1 A 25 25 ALA C C 25 179.282 179.418 -0.136 1
1 199 . 20 1 1 A 26 26 SER N N 26 111.647 112.659 -1.012 1
1 200 . 20 1 1 A 26 26 SER H H 26 8.886 8.342 0.544 1
1 201 . 20 1 1 A 26 26 SER CA C 26 61.362 61.387 -0.025 1
1 202 . 20 1 1 A 26 26 SER HA H 26 4.039 4.150 -0.111 1
1 203 . 20 1 1 A 26 26 SER CB C 26 61.561 62.381 -0.820 1
1 205 . 20 1 1 A 26 26 SER C C 26 177.406 177.357 0.049 1
1 207 . 20 1 1 A 27 27 ASN N N 27 119.503 119.624 -0.121 1
1 208 . 20 1 1 A 27 27 ASN H H 27 7.021 8.091 -1.070 1
1 209 . 20 1 1 A 27 27 ASN CA C 27 55.428 56.390 -0.962 1
1 210 . 20 1 1 A 27 27 ASN HA H 27 4.575 4.415 0.160 1
1 211 . 20 1 1 A 27 27 ASN CB C 27 38.410 38.001 0.409 1
1 216 . 20 1 1 A 27 27 ASN C C 27 177.285 178.042 -0.757 1
1 218 . 20 1 1 A 28 28 PHE N N 28 123.068 121.918 1.150 1
1 219 . 20 1 1 A 28 28 PHE H H 28 7.786 8.001 -0.215 1
1 220 . 20 1 1 A 28 28 PHE CA C 28 60.488 60.403 0.085 1
1 221 . 20 1 1 A 28 28 PHE HA H 28 3.240 3.052 0.188 1
1 222 . 20 1 1 A 28 28 PHE CB C 28 38.809 38.881 -0.072 1
1 234 . 20 1 1 A 28 28 PHE C C 28 175.850 176.818 -0.968 1
1 236 . 20 1 1 A 29 29 ILE N N 29 119.421 119.504 -0.083 1
1 237 . 20 1 1 A 29 29 ILE H H 29 8.501 7.934 0.567 1
1 238 . 20 1 1 A 29 29 ILE CA C 29 64.558 64.437 0.121 1
1 239 . 20 1 1 A 29 29 ILE HA H 29 3.221 3.387 -0.166 1
1 240 . 20 1 1 A 29 29 ILE CB C 29 37.818 37.234 0.584 1
1 252 . 20 1 1 A 29 29 ILE C C 29 178.885 178.716 0.169 1
1 254 . 20 1 1 A 30 30 GLN N N 30 117.482 117.144 0.338 1
1 255 . 20 1 1 A 30 30 GLN H H 30 7.343 7.898 -0.555 1
1 256 . 20 1 1 A 30 30 GLN CA C 30 58.656 57.700 0.956 1
1 257 . 20 1 1 A 30 30 GLN HA H 30 3.885 4.156 -0.271 1
1 258 . 20 1 1 A 30 30 GLN CB C 30 28.460 28.371 0.089 1
1 265 . 20 1 1 A 30 30 GLN C C 30 178.347 177.291 1.056 1
1 268 . 20 1 1 A 31 31 HIS N N 31 119.125 120.437 -1.312 1
1 269 . 20 1 1 A 31 31 HIS H H 31 7.738 7.873 -0.135 1
1 270 . 20 1 1 A 31 31 HIS CA C 31 59.348 58.619 0.729 1
1 271 . 20 1 1 A 31 31 HIS HA H 31 4.052 4.312 -0.260 1
1 272 . 20 1 1 A 31 31 HIS CB C 31 28.129 30.090 -1.961 1
1 278 . 20 1 1 A 31 31 HIS C C 31 176.394 177.182 -0.788 1
1 280 . 20 1 1 A 32 32 ARG N N 32 115.404 118.251 -2.847 1
1 281 . 20 1 1 A 32 32 ARG H H 32 7.920 7.621 0.299 1
1 282 . 20 1 1 A 32 32 ARG CA C 32 58.191 58.275 -0.084 1
1 283 . 20 1 1 A 32 32 ARG HA H 32 3.510 4.015 -0.505 1
1 284 . 20 1 1 A 32 32 ARG CB C 32 28.088 29.583 -1.495 1
1 290 . 20 1 1 A 32 32 ARG C C 32 177.828 178.092 -0.264 1
1 294 . 20 1 1 A 33 33 ARG N N 33 116.284 118.042 -1.758 1
1 295 . 20 1 1 A 33 33 ARG H H 33 7.025 7.864 -0.839 1
1 296 . 20 1 1 A 33 33 ARG CA C 33 58.538 59.073 -0.535 1
1 297 . 20 1 1 A 33 33 ARG HA H 33 4.094 3.991 0.103 1
1 298 . 20 1 1 A 33 33 ARG CB C 33 29.994 30.396 -0.402 1
1 304 . 20 1 1 A 33 33 ARG C C 33 178.632 178.872 -0.240 1
1 308 . 20 1 1 A 34 34 ILE N N 34 116.774 116.998 -0.224 1
1 309 . 20 1 1 A 34 34 ILE H H 34 7.715 7.750 -0.035 1
1 310 . 20 1 1 A 34 34 ILE CA C 34 63.294 64.133 -0.839 1
1 311 . 20 1 1 A 34 34 ILE HA H 34 3.886 3.783 0.103 1
1 312 . 20 1 1 A 34 34 ILE CB C 34 37.481 37.282 0.199 1
1 324 . 20 1 1 A 34 34 ILE C C 34 177.422 177.347 0.075 1
1 326 . 20 1 1 A 35 35 HIS N N 35 117.061 121.022 -3.961 1
1 327 . 20 1 1 A 35 35 HIS H H 35 7.143 7.632 -0.489 1
1 328 . 20 1 1 A 35 35 HIS CA C 35 55.554 59.957 -4.403 1
1 329 . 20 1 1 A 35 35 HIS HA H 35 4.798 4.209 0.589 1
1 330 . 20 1 1 A 35 35 HIS CB C 35 28.994 30.546 -1.552 1
1 336 . 20 1 1 A 35 35 HIS C C 35 176.009 178.085 -2.076 1
1 338 . 20 1 1 A 36 36 THR N N 36 110.946 110.682 0.264 1
1 339 . 20 1 1 A 36 36 THR H H 36 7.834 8.284 -0.450 1
1 340 . 20 1 1 A 36 36 THR CA C 36 62.550 63.579 -1.029 1
1 341 . 20 1 1 A 36 36 THR HA H 36 4.312 4.081 0.231 1
1 342 . 20 1 1 A 36 36 THR CB C 36 69.804 69.858 -0.054 1
1 348 . 20 1 1 A 36 36 THR C C 36 175.635 174.484 1.151 1
1 349 . 20 1 1 A 37 37 GLY N N 37 110.649 109.244 1.405 1
1 350 . 20 1 1 A 37 37 GLY H H 37 8.196 7.151 1.045 1
1 351 . 20 1 1 A 37 37 GLY CA C 37 45.414 44.471 0.943 1
1 352 . 20 1 1 A 37 37 GLY HA3 H 37 3.920 4.022 -0.102 1
1 353 . 20 1 1 A 37 37 GLY C C 37 174.050 172.764 1.286 1
1 354 . 20 1 1 A 37 37 GLY HA2 H 37 4.016 4.011 0.005 1
1 355 . 20 1 1 A 38 38 GLU N N 38 120.504 120.571 -0.067 1
1 356 . 20 1 1 A 38 38 GLU H H 38 8.039 8.730 -0.691 1
1 357 . 20 1 1 A 38 38 GLU CA C 38 56.537 54.511 2.026 1
1 358 . 20 1 1 A 38 38 GLU HA H 38 4.215 5.009 -0.794 1
1 359 . 20 1 1 A 38 38 GLU CB C 38 30.588 34.024 -3.436 1
1 363 . 20 1 1 A 38 38 GLU C C 38 176.107 175.150 0.957 1
1 366 . 20 1 1 A 39 39 LYS N N 39 123.777 122.626 1.151 1
1 367 . 20 1 1 A 39 39 LYS H H 39 8.401 8.660 -0.259 1
1 368 . 20 1 1 A 39 39 LYS CA C 39 54.099 52.343 1.756 1
1 369 . 20 1 1 A 39 39 LYS HA H 39 4.599 4.869 -0.270 1
1 370 . 20 1 1 A 39 39 LYS CB C 39 32.530 33.063 -0.533 1
1 378 . 20 1 1 A 39 39 LYS C C 39 174.452 174.527 -0.075 1
1 383 . 20 1 1 A 40 40 PRO CA C 40 63.195 62.797 0.398 1
1 384 . 20 1 1 A 40 40 PRO HA H 40 4.445 4.502 -0.057 1
1 385 . 20 1 1 A 40 40 PRO CB C 40 32.187 31.975 0.212 1
1 391 . 20 1 1 A 40 40 PRO C C 40 176.911 176.736 0.175 1
1 395 . 20 1 1 A 41 41 SER N N 41 116.485 118.855 -2.370 1
1 396 . 20 1 1 A 41 41 SER H H 41 8.449 8.341 0.108 1
1 397 . 20 1 1 A 41 41 SER CA C 41 58.467 59.394 -0.927 1
1 398 . 20 1 1 A 41 41 SER HA H 41 4.468 4.284 0.184 1
1 399 . 20 1 1 A 41 41 SER CB C 41 63.909 62.036 1.873 1
1 401 . 20 1 1 A 41 41 SER C C 41 174.617 175.259 -0.642 1
1 403 . 20 1 1 A 42 42 GLY N N 42 110.609 112.912 -2.303 1
1 404 . 20 1 1 A 42 42 GLY H H 42 8.216 8.282 -0.066 1
1 405 . 20 1 1 A 42 42 GLY CA C 42 44.673 45.600 -0.927 1
1 406 . 20 1 1 A 42 42 GLY HA3 H 42 4.114 4.150 -0.036 1
1 407 . 20 1 1 A 42 42 GLY C C 42 171.713 173.395 -1.682 1
1 408 . 20 1 1 A 42 42 GLY HA2 H 42 4.158 4.150 0.008 1
1 409 . 20 1 1 A 43 43 PRO CA C 43 63.260 62.761 0.499 1
1 410 . 20 1 1 A 43 43 PRO HA H 43 4.484 4.685 -0.201 1
1 411 . 20 1 1 A 43 43 PRO CB C 43 32.216 31.729 0.487 1
1 417 . 20 1 1 A 43 43 PRO C C 43 177.352 176.050 1.302 1
1 421 . 20 1 1 A 44 44 SER N N 44 116.409 119.985 -3.576 1
1 422 . 20 1 1 A 44 44 SER H H 44 8.511 8.500 0.011 1
1 423 . 20 1 1 A 44 44 SER CA C 44 58.392 57.701 0.691 1
1 424 . 20 1 1 A 44 44 SER HA H 44 4.466 4.771 -0.305 1
1 425 . 20 1 1 A 44 44 SER CB C 44 63.748 64.468 -0.720 1
1 427 . 20 1 1 A 44 44 SER C C 44 174.615 174.436 0.179 1
1 429 . 20 1 1 A 45 45 SER N N 45 117.817 115.516 2.301 1
1 430 . 20 1 1 A 45 45 SER H H 45 8.303 8.596 -0.293 1
1 431 . 20 1 1 A 45 45 SER CA C 45 58.381 59.231 -0.850 1
1 432 . 20 1 1 A 45 45 SER HA H 45 4.452 3.987 0.465 1
1 433 . 20 1 1 A 45 45 SER CB C 45 64.070 62.051 2.019 1
1 435 . 20 1 1 A 45 45 SER C C 45 173.885 173.481 0.404 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 37 0.905 1
2 1 1 1 "RMS(OBS, PRED)" CA 38 1.097 1
3 1 1 1 "RMS(OBS, PRED)" CB 33 1.269 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.486 1
5 1 1 1 "RMS(OBS, PRED)" HA 43 0.330 1
6 1 1 1 "RMS(OBS, PRED)" N 32 2.216 1
7 1 2 1 "RMS(OBS, PRED)" C 37 0.932 1
8 1 2 1 "RMS(OBS, PRED)" CA 38 1.512 1
9 1 2 1 "RMS(OBS, PRED)" CB 33 1.262 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.471 1
11 1 2 1 "RMS(OBS, PRED)" HA 43 0.355 1
12 1 2 1 "RMS(OBS, PRED)" N 32 2.416 1
13 1 3 1 "RMS(OBS, PRED)" C 37 0.946 1
14 1 3 1 "RMS(OBS, PRED)" CA 38 1.299 1
15 1 3 1 "RMS(OBS, PRED)" CB 33 1.342 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.511 1
17 1 3 1 "RMS(OBS, PRED)" HA 43 0.284 1
18 1 3 1 "RMS(OBS, PRED)" N 32 2.213 1
19 1 4 1 "RMS(OBS, PRED)" C 37 1.110 1
20 1 4 1 "RMS(OBS, PRED)" CA 38 1.089 1
21 1 4 1 "RMS(OBS, PRED)" CB 33 1.422 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.496 1
23 1 4 1 "RMS(OBS, PRED)" HA 43 0.321 1
24 1 4 1 "RMS(OBS, PRED)" N 32 2.131 1
25 1 5 1 "RMS(OBS, PRED)" C 37 0.935 1
26 1 5 1 "RMS(OBS, PRED)" CA 38 1.235 1
27 1 5 1 "RMS(OBS, PRED)" CB 33 1.141 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.471 1
29 1 5 1 "RMS(OBS, PRED)" HA 43 0.312 1
30 1 5 1 "RMS(OBS, PRED)" N 32 2.399 1
31 1 6 1 "RMS(OBS, PRED)" C 37 0.932 1
32 1 6 1 "RMS(OBS, PRED)" CA 38 1.133 1
33 1 6 1 "RMS(OBS, PRED)" CB 33 1.423 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.559 1
35 1 6 1 "RMS(OBS, PRED)" HA 43 0.359 1
36 1 6 1 "RMS(OBS, PRED)" N 32 2.090 1
37 1 7 1 "RMS(OBS, PRED)" C 37 1.163 1
38 1 7 1 "RMS(OBS, PRED)" CA 38 1.349 1
39 1 7 1 "RMS(OBS, PRED)" CB 33 1.494 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.471 1
41 1 7 1 "RMS(OBS, PRED)" HA 43 0.324 1
42 1 7 1 "RMS(OBS, PRED)" N 32 2.272 1
43 1 8 1 "RMS(OBS, PRED)" C 37 1.124 1
44 1 8 1 "RMS(OBS, PRED)" CA 38 1.335 1
45 1 8 1 "RMS(OBS, PRED)" CB 33 1.445 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.510 1
47 1 8 1 "RMS(OBS, PRED)" HA 43 0.367 1
48 1 8 1 "RMS(OBS, PRED)" N 32 1.992 1
49 1 9 1 "RMS(OBS, PRED)" C 37 0.945 1
50 1 9 1 "RMS(OBS, PRED)" CA 38 1.339 1
51 1 9 1 "RMS(OBS, PRED)" CB 33 1.287 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.501 1
53 1 9 1 "RMS(OBS, PRED)" HA 43 0.310 1
54 1 9 1 "RMS(OBS, PRED)" N 32 2.808 1
55 1 10 1 "RMS(OBS, PRED)" C 37 0.925 1
56 1 10 1 "RMS(OBS, PRED)" CA 38 1.296 1
57 1 10 1 "RMS(OBS, PRED)" CB 33 1.361 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.539 1
59 1 10 1 "RMS(OBS, PRED)" HA 43 0.336 1
60 1 10 1 "RMS(OBS, PRED)" N 32 2.703 1
61 1 11 1 "RMS(OBS, PRED)" C 37 1.073 1
62 1 11 1 "RMS(OBS, PRED)" CA 38 1.300 1
63 1 11 1 "RMS(OBS, PRED)" CB 33 1.136 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.536 1
65 1 11 1 "RMS(OBS, PRED)" HA 43 0.315 1
66 1 11 1 "RMS(OBS, PRED)" N 32 2.445 1
67 1 12 1 "RMS(OBS, PRED)" C 37 1.052 1
68 1 12 1 "RMS(OBS, PRED)" CA 38 1.294 1
69 1 12 1 "RMS(OBS, PRED)" CB 33 1.102 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.485 1
71 1 12 1 "RMS(OBS, PRED)" HA 43 0.335 1
72 1 12 1 "RMS(OBS, PRED)" N 32 2.579 1
73 1 13 1 "RMS(OBS, PRED)" C 37 1.073 1
74 1 13 1 "RMS(OBS, PRED)" CA 38 1.191 1
75 1 13 1 "RMS(OBS, PRED)" CB 33 1.261 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.508 1
77 1 13 1 "RMS(OBS, PRED)" HA 43 0.390 1
78 1 13 1 "RMS(OBS, PRED)" N 32 2.002 1
79 1 14 1 "RMS(OBS, PRED)" C 37 0.985 1
80 1 14 1 "RMS(OBS, PRED)" CA 38 1.281 1
81 1 14 1 "RMS(OBS, PRED)" CB 33 1.403 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.508 1
83 1 14 1 "RMS(OBS, PRED)" HA 43 0.394 1
84 1 14 1 "RMS(OBS, PRED)" N 32 2.252 1
85 1 15 1 "RMS(OBS, PRED)" C 37 1.205 1
86 1 15 1 "RMS(OBS, PRED)" CA 38 1.085 1
87 1 15 1 "RMS(OBS, PRED)" CB 33 1.356 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.457 1
89 1 15 1 "RMS(OBS, PRED)" HA 43 0.359 1
90 1 15 1 "RMS(OBS, PRED)" N 32 2.329 1
91 1 16 1 "RMS(OBS, PRED)" C 37 1.177 1
92 1 16 1 "RMS(OBS, PRED)" CA 38 1.420 1
93 1 16 1 "RMS(OBS, PRED)" CB 33 1.378 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.490 1
95 1 16 1 "RMS(OBS, PRED)" HA 43 0.327 1
96 1 16 1 "RMS(OBS, PRED)" N 32 2.239 1
97 1 17 1 "RMS(OBS, PRED)" C 37 1.141 1
98 1 17 1 "RMS(OBS, PRED)" CA 38 1.129 1
99 1 17 1 "RMS(OBS, PRED)" CB 33 1.292 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.477 1
101 1 17 1 "RMS(OBS, PRED)" HA 43 0.349 1
102 1 17 1 "RMS(OBS, PRED)" N 32 1.824 1
103 1 18 1 "RMS(OBS, PRED)" C 37 0.919 1
104 1 18 1 "RMS(OBS, PRED)" CA 38 1.081 1
105 1 18 1 "RMS(OBS, PRED)" CB 33 1.323 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.444 1
107 1 18 1 "RMS(OBS, PRED)" HA 43 0.299 1
108 1 18 1 "RMS(OBS, PRED)" N 32 2.571 1
109 1 19 1 "RMS(OBS, PRED)" C 37 0.953 1
110 1 19 1 "RMS(OBS, PRED)" CA 38 1.378 1
111 1 19 1 "RMS(OBS, PRED)" CB 33 1.128 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.481 1
113 1 19 1 "RMS(OBS, PRED)" HA 43 0.334 1
114 1 19 1 "RMS(OBS, PRED)" N 32 2.468 1
115 1 20 1 "RMS(OBS, PRED)" C 37 1.071 1
116 1 20 1 "RMS(OBS, PRED)" CA 38 1.173 1
117 1 20 1 "RMS(OBS, PRED)" CB 33 1.314 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.503 1
119 1 20 1 "RMS(OBS, PRED)" HA 43 0.352 1
120 1 20 1 "RMS(OBS, PRED)" N 32 2.028 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 HIS CA C 8 56.329 55.844 0.485 2
1 2 . 1 1 A 8 8 HIS HA H 8 4.628 4.790 -0.162 2
1 3 . 1 1 A 8 8 HIS CB C 8 30.709 30.724 -0.015 2
1 10 . 1 1 A 9 9 GLY CA C 9 45.330 45.559 -0.229 2
1 11 . 1 1 A 9 9 GLY HA3 H 9 3.909 3.987 -0.078 2
1 12 . 1 1 A 9 9 GLY C C 9 174.145 173.426 0.719 2
1 13 . 1 1 A 9 9 GLY HA2 H 9 3.909 3.958 -0.049 2
1 14 . 1 1 A 10 10 GLU N N 10 120.846 120.631 0.215 2
1 15 . 1 1 A 10 10 GLU H H 10 8.353 8.559 -0.206 2
1 16 . 1 1 A 10 10 GLU CA C 10 56.524 56.173 0.351 2
1 17 . 1 1 A 10 10 GLU HA H 10 4.225 4.579 -0.354 2
1 18 . 1 1 A 10 10 GLU CB C 10 30.384 30.974 -0.590 2
1 22 . 1 1 A 10 10 GLU C C 10 176.348 175.382 0.966 2
1 25 . 1 1 A 11 11 ARG N N 11 121.539 122.599 -1.060 2
1 26 . 1 1 A 11 11 ARG H H 11 8.281 8.414 -0.133 2
1 27 . 1 1 A 11 11 ARG CA C 11 56.005 55.327 0.678 2
1 28 . 1 1 A 11 11 ARG HA H 11 4.316 4.659 -0.343 2
1 29 . 1 1 A 11 11 ARG CB C 11 31.130 31.821 -0.691 2
1 35 . 1 1 A 11 11 ARG C C 11 176.001 175.680 0.321 2
1 39 . 1 1 A 12 12 GLY N N 12 107.819 111.847 -4.028 2
1 40 . 1 1 A 12 12 GLY H H 12 8.075 8.209 -0.134 2
1 41 . 1 1 A 12 12 GLY CA C 12 44.814 44.960 -0.146 2
1 42 . 1 1 A 12 12 GLY HA3 H 12 4.014 3.933 0.081 2
1 43 . 1 1 A 12 12 GLY C C 12 172.193 171.794 0.399 2
1 44 . 1 1 A 12 12 GLY HA2 H 12 3.651 3.755 -0.104 2
1 45 . 1 1 A 13 13 HIS N N 13 119.279 118.308 0.971 2
1 46 . 1 1 A 13 13 HIS H H 13 8.024 7.846 0.178 2
1 47 . 1 1 A 13 13 HIS CA C 13 55.118 54.094 1.024 2
1 48 . 1 1 A 13 13 HIS HA H 13 4.235 4.782 -0.547 2
1 49 . 1 1 A 13 13 HIS CB C 13 31.866 31.584 0.282 2
1 55 . 1 1 A 13 13 HIS C C 13 173.211 173.242 -0.031 2
1 57 . 1 1 A 14 14 ARG N N 14 124.116 125.266 -1.150 2
1 58 . 1 1 A 14 14 ARG H H 14 8.606 8.874 -0.268 2
1 59 . 1 1 A 14 14 ARG CA C 14 54.263 54.874 -0.611 2
1 60 . 1 1 A 14 14 ARG HA H 14 4.820 5.333 -0.513 2
1 61 . 1 1 A 14 14 ARG CB C 14 32.523 32.179 0.344 2
1 67 . 1 1 A 14 14 ARG C C 14 175.690 176.539 -0.849 2
1 71 . 1 1 A 15 15 CYS N N 15 128.999 125.347 3.652 2
1 72 . 1 1 A 15 15 CYS H H 15 9.354 9.238 0.116 2
1 73 . 1 1 A 15 15 CYS CA C 15 59.902 59.430 0.472 2
1 74 . 1 1 A 15 15 CYS HA H 15 4.843 4.977 -0.134 2
1 75 . 1 1 A 15 15 CYS CB C 15 30.080 29.308 0.772 2
1 77 . 1 1 A 15 15 CYS C C 15 177.294 175.087 2.207 2
1 79 . 1 1 A 16 16 SER CA C 16 61.138 59.997 1.141 2
1 80 . 1 1 A 16 16 SER HA H 16 4.245 4.529 -0.284 2
1 81 . 1 1 A 16 16 SER CB C 16 63.060 64.084 -1.024 2
1 83 . 1 1 A 16 16 SER C C 16 174.763 175.776 -1.013 2
1 85 . 1 1 A 17 17 ASP N N 17 121.918 121.979 -0.061 2
1 86 . 1 1 A 17 17 ASP H H 17 8.415 7.744 0.671 2
1 87 . 1 1 A 17 17 ASP CA C 17 57.173 57.206 -0.033 2
1 88 . 1 1 A 17 17 ASP HA H 17 4.602 4.219 0.383 2
1 89 . 1 1 A 17 17 ASP CB C 17 41.250 39.876 1.374 2
1 91 . 1 1 A 17 17 ASP C C 17 176.420 177.601 -1.181 2
1 93 . 1 1 A 18 18 CYS N N 18 114.553 114.242 0.311 2
1 94 . 1 1 A 18 18 CYS H H 18 7.796 7.528 0.268 2
1 95 . 1 1 A 18 18 CYS CA C 18 58.608 59.621 -1.013 2
1 96 . 1 1 A 18 18 CYS HA H 18 5.206 4.637 0.569 2
1 97 . 1 1 A 18 18 CYS CB C 18 32.187 29.816 2.371 2
1 99 . 1 1 A 18 18 CYS C C 18 176.107 175.500 0.607 2
1 101 . 1 1 A 19 19 GLY N N 19 113.601 110.438 3.163 2
1 102 . 1 1 A 19 19 GLY H H 19 8.268 8.283 -0.015 2
1 103 . 1 1 A 19 19 GLY CA C 19 46.294 45.545 0.749 2
1 104 . 1 1 A 19 19 GLY HA3 H 19 4.251 4.129 0.122 2
1 105 . 1 1 A 19 19 GLY C C 19 173.687 174.535 -0.848 2
1 106 . 1 1 A 19 19 GLY HA2 H 19 3.794 4.097 -0.303 2
1 107 . 1 1 A 20 20 LYS N N 20 121.922 119.423 2.499 2
1 108 . 1 1 A 20 20 LYS H H 20 7.833 7.921 -0.088 2
1 109 . 1 1 A 20 20 LYS CA C 20 58.157 55.836 2.322 2
1 110 . 1 1 A 20 20 LYS HA H 20 4.133 4.709 -0.576 2
1 111 . 1 1 A 20 20 LYS CB C 20 34.348 34.568 -0.220 2
1 119 . 1 1 A 20 20 LYS C C 20 174.006 175.368 -1.362 2
1 124 . 1 1 A 21 21 PHE N N 21 121.592 122.756 -1.164 2
1 125 . 1 1 A 21 21 PHE H H 21 8.197 8.731 -0.534 2
1 126 . 1 1 A 21 21 PHE CA C 21 57.064 56.735 0.329 2
1 127 . 1 1 A 21 21 PHE HA H 21 5.118 5.603 -0.485 2
1 128 . 1 1 A 21 21 PHE CB C 21 42.295 43.194 -0.899 2
1 140 . 1 1 A 21 21 PHE C C 21 174.756 173.292 1.464 2
1 142 . 1 1 A 22 22 PHE N N 22 122.744 122.835 -0.091 2
1 143 . 1 1 A 22 22 PHE H H 22 8.535 7.877 0.658 2
1 144 . 1 1 A 22 22 PHE CA C 22 56.937 56.198 0.739 2
1 145 . 1 1 A 22 22 PHE HA H 22 4.467 4.954 -0.487 2
1 146 . 1 1 A 22 22 PHE CB C 22 42.745 44.255 -1.510 2
1 158 . 1 1 A 22 22 PHE C C 22 174.570 174.901 -0.331 2
1 160 . 1 1 A 23 23 LEU N N 23 124.547 120.624 3.923 2
1 161 . 1 1 A 23 23 LEU H H 23 8.632 8.495 0.137 2
1 162 . 1 1 A 23 23 LEU CA C 23 57.016 55.521 1.495 2
1 163 . 1 1 A 23 23 LEU HA H 23 4.190 4.469 -0.279 2
1 164 . 1 1 A 23 23 LEU CB C 23 43.006 43.947 -0.941 2
1 176 . 1 1 A 23 23 LEU C C 23 177.399 176.262 1.137 2
1 178 . 1 1 A 24 24 GLN N N 24 115.779 118.280 -2.501 2
1 179 . 1 1 A 24 24 GLN H H 24 8.246 7.607 0.639 2
1 180 . 1 1 A 24 24 GLN CA C 24 54.687 54.920 -0.233 2
1 181 . 1 1 A 24 24 GLN HA H 24 4.787 4.630 0.157 2
1 182 . 1 1 A 24 24 GLN CB C 24 29.974 29.181 0.793 2
1 189 . 1 1 A 24 24 GLN C C 24 176.712 176.151 0.561 2
1 192 . 1 1 A 25 25 ALA CA C 25 55.575 55.586 -0.011 2
1 193 . 1 1 A 25 25 ALA HA H 25 3.542 3.523 0.019 2
1 194 . 1 1 A 25 25 ALA CB C 25 18.019 18.272 -0.253 2
1 198 . 1 1 A 25 25 ALA C C 25 179.282 179.479 -0.197 2
1 199 . 1 1 A 26 26 SER N N 26 111.647 112.856 -1.209 2
1 200 . 1 1 A 26 26 SER H H 26 8.886 8.351 0.535 2
1 201 . 1 1 A 26 26 SER CA C 26 61.362 61.603 -0.241 2
1 202 . 1 1 A 26 26 SER HA H 26 4.039 4.150 -0.111 2
1 203 . 1 1 A 26 26 SER CB C 26 61.561 62.602 -1.041 2
1 205 . 1 1 A 26 26 SER C C 26 177.406 177.195 0.211 2
1 207 . 1 1 A 27 27 ASN N N 27 119.503 119.734 -0.231 2
1 208 . 1 1 A 27 27 ASN H H 27 7.021 8.284 -1.263 2
1 209 . 1 1 A 27 27 ASN CA C 27 55.428 56.401 -0.973 2
1 210 . 1 1 A 27 27 ASN HA H 27 4.575 4.433 0.142 2
1 211 . 1 1 A 27 27 ASN CB C 27 38.410 38.060 0.350 2
1 216 . 1 1 A 27 27 ASN C C 27 177.285 178.124 -0.838 2
1 218 . 1 1 A 28 28 PHE N N 28 123.068 121.933 1.135 2
1 219 . 1 1 A 28 28 PHE H H 28 7.786 8.178 -0.392 2
1 220 . 1 1 A 28 28 PHE CA C 28 60.488 60.231 0.257 2
1 221 . 1 1 A 28 28 PHE HA H 28 3.240 3.121 0.119 2
1 222 . 1 1 A 28 28 PHE CB C 28 38.809 39.011 -0.202 2
1 234 . 1 1 A 28 28 PHE C C 28 175.850 176.851 -1.001 2
1 236 . 1 1 A 29 29 ILE N N 29 119.421 119.488 -0.067 2
1 237 . 1 1 A 29 29 ILE H H 29 8.501 8.027 0.474 2
1 238 . 1 1 A 29 29 ILE CA C 29 64.558 64.438 0.120 2
1 239 . 1 1 A 29 29 ILE HA H 29 3.221 3.428 -0.207 2
1 240 . 1 1 A 29 29 ILE CB C 29 37.818 37.392 0.426 2
1 252 . 1 1 A 29 29 ILE C C 29 178.885 178.744 0.141 2
1 254 . 1 1 A 30 30 GLN N N 30 117.482 117.502 -0.020 2
1 255 . 1 1 A 30 30 GLN H H 30 7.343 7.985 -0.642 2
1 256 . 1 1 A 30 30 GLN CA C 30 58.656 57.723 0.933 2
1 257 . 1 1 A 30 30 GLN HA H 30 3.885 4.108 -0.223 2
1 258 . 1 1 A 30 30 GLN CB C 30 28.460 28.387 0.073 2
1 265 . 1 1 A 30 30 GLN C C 30 178.347 177.368 0.979 2
1 268 . 1 1 A 31 31 HIS N N 31 119.125 120.576 -1.451 2
1 269 . 1 1 A 31 31 HIS H H 31 7.738 7.862 -0.124 2
1 270 . 1 1 A 31 31 HIS CA C 31 59.348 58.613 0.735 2
1 271 . 1 1 A 31 31 HIS HA H 31 4.052 4.245 -0.193 2
1 272 . 1 1 A 31 31 HIS CB C 31 28.129 29.943 -1.814 2
1 278 . 1 1 A 31 31 HIS C C 31 176.394 177.031 -0.637 2
1 280 . 1 1 A 32 32 ARG N N 32 115.404 118.198 -2.794 2
1 281 . 1 1 A 32 32 ARG H H 32 7.920 7.599 0.321 2
1 282 . 1 1 A 32 32 ARG CA C 32 58.191 58.176 0.015 2
1 283 . 1 1 A 32 32 ARG HA H 32 3.510 4.016 -0.506 2
1 284 . 1 1 A 32 32 ARG CB C 32 28.088 29.717 -1.629 2
1 290 . 1 1 A 32 32 ARG C C 32 177.828 178.073 -0.245 2
1 294 . 1 1 A 33 33 ARG N N 33 116.284 118.111 -1.827 2
1 295 . 1 1 A 33 33 ARG H H 33 7.025 7.779 -0.755 2
1 296 . 1 1 A 33 33 ARG CA C 33 58.538 59.049 -0.511 2
1 297 . 1 1 A 33 33 ARG HA H 33 4.094 3.995 0.099 2
1 298 . 1 1 A 33 33 ARG CB C 33 29.994 30.293 -0.299 2
1 304 . 1 1 A 33 33 ARG C C 33 178.632 178.877 -0.245 2
1 308 . 1 1 A 34 34 ILE N N 34 116.774 116.989 -0.215 2
1 309 . 1 1 A 34 34 ILE H H 34 7.715 7.617 0.098 2
1 310 . 1 1 A 34 34 ILE CA C 34 63.294 64.137 -0.843 2
1 311 . 1 1 A 34 34 ILE HA H 34 3.886 3.737 0.149 2
1 312 . 1 1 A 34 34 ILE CB C 34 37.481 37.261 0.220 2
1 324 . 1 1 A 34 34 ILE C C 34 177.422 177.466 -0.044 2
1 326 . 1 1 A 35 35 HIS N N 35 117.061 120.204 -3.143 2
1 327 . 1 1 A 35 35 HIS H H 35 7.143 7.448 -0.305 2
1 328 . 1 1 A 35 35 HIS CA C 35 55.554 59.413 -3.859 2
1 329 . 1 1 A 35 35 HIS HA H 35 4.798 4.278 0.520 2
1 330 . 1 1 A 35 35 HIS CB C 35 28.994 30.529 -1.535 2
1 336 . 1 1 A 35 35 HIS C C 35 176.009 176.320 -0.311 2
1 338 . 1 1 A 36 36 THR N N 36 110.946 111.778 -0.832 2
1 339 . 1 1 A 36 36 THR H H 36 7.834 8.159 -0.325 2
1 340 . 1 1 A 36 36 THR CA C 36 62.550 62.994 -0.444 2
1 341 . 1 1 A 36 36 THR HA H 36 4.312 4.177 0.135 2
1 342 . 1 1 A 36 36 THR CB C 36 69.804 69.020 0.784 2
1 348 . 1 1 A 36 36 THR C C 36 175.635 175.097 0.538 2
1 349 . 1 1 A 37 37 GLY N N 37 110.649 111.302 -0.653 2
1 350 . 1 1 A 37 37 GLY H H 37 8.196 8.320 -0.124 2
1 351 . 1 1 A 37 37 GLY CA C 37 45.414 45.860 -0.446 2
1 352 . 1 1 A 37 37 GLY HA3 H 37 3.920 4.020 -0.100 2
1 353 . 1 1 A 37 37 GLY C C 37 174.050 173.549 0.501 2
1 354 . 1 1 A 37 37 GLY HA2 H 37 4.016 4.014 0.002 2
1 355 . 1 1 A 38 38 GLU N N 38 120.504 120.674 -0.170 2
1 356 . 1 1 A 38 38 GLU H H 38 8.039 8.076 -0.037 2
1 357 . 1 1 A 38 38 GLU CA C 38 56.537 55.711 0.826 2
1 358 . 1 1 A 38 38 GLU HA H 38 4.215 4.566 -0.351 2
1 359 . 1 1 A 38 38 GLU CB C 38 30.588 31.066 -0.478 2
1 363 . 1 1 A 38 38 GLU C C 38 176.107 175.403 0.704 2
1 366 . 1 1 A 39 39 LYS N N 39 123.777 123.532 0.245 2
1 367 . 1 1 A 39 39 LYS H H 39 8.401 8.466 -0.065 2
1 368 . 1 1 A 39 39 LYS CA C 39 54.099 53.481 0.618 2
1 369 . 1 1 A 39 39 LYS HA H 39 4.599 4.771 -0.172 2
1 370 . 1 1 A 39 39 LYS CB C 39 32.530 34.327 -1.797 2
1 378 . 1 1 A 39 39 LYS C C 39 174.452 174.468 -0.016 2
1 383 . 1 1 A 40 40 PRO CA C 40 63.195 62.697 0.498 2
1 384 . 1 1 A 40 40 PRO HA H 40 4.445 4.551 -0.106 2
1 385 . 1 1 A 40 40 PRO CB C 40 32.187 32.529 -0.342 2
1 391 . 1 1 A 40 40 PRO C C 40 176.911 176.796 0.115 2
1 395 . 1 1 A 41 41 SER N N 41 116.485 116.846 -0.361 2
1 396 . 1 1 A 41 41 SER H H 41 8.449 8.548 -0.099 2
1 397 . 1 1 A 41 41 SER CA C 41 58.467 59.809 -1.342 2
1 398 . 1 1 A 41 41 SER HA H 41 4.468 4.401 0.067 2
1 399 . 1 1 A 41 41 SER CB C 41 63.909 62.837 1.073 2
1 401 . 1 1 A 41 41 SER C C 41 174.617 175.191 -0.574 2
1 403 . 1 1 A 42 42 GLY N N 42 110.609 110.507 0.102 2
1 404 . 1 1 A 42 42 GLY H H 42 8.216 8.295 -0.079 2
1 405 . 1 1 A 42 42 GLY CA C 42 44.673 46.056 -1.383 2
1 406 . 1 1 A 42 42 GLY HA3 H 42 4.114 4.057 0.057 2
1 407 . 1 1 A 42 42 GLY C C 42 171.713 173.800 -2.087 2
1 408 . 1 1 A 42 42 GLY HA2 H 42 4.158 4.056 0.102 2
1 409 . 1 1 A 43 43 PRO CA C 43 63.260 63.225 0.035 2
1 410 . 1 1 A 43 43 PRO HA H 43 4.484 4.567 -0.083 2
1 411 . 1 1 A 43 43 PRO CB C 43 32.216 31.955 0.261 2
1 417 . 1 1 A 43 43 PRO C C 43 177.352 176.198 1.154 2
1 421 . 1 1 A 44 44 SER N N 44 116.409 116.318 0.091 2
1 422 . 1 1 A 44 44 SER H H 44 8.511 8.302 0.209 2
1 423 . 1 1 A 44 44 SER CA C 44 58.392 57.853 0.539 2
1 424 . 1 1 A 44 44 SER HA H 44 4.466 4.720 -0.254 2
1 425 . 1 1 A 44 44 SER CB C 44 63.748 64.465 -0.717 2
1 427 . 1 1 A 44 44 SER C C 44 174.615 173.761 0.854 2
1 429 . 1 1 A 45 45 SER N N 45 117.817 118.699 -0.882 2
1 430 . 1 1 A 45 45 SER H H 45 8.303 8.533 -0.230 2
1 431 . 1 1 A 45 45 SER CA C 45 58.381 58.252 0.129 2
1 432 . 1 1 A 45 45 SER HA H 45 4.452 4.716 -0.264 2
1 433 . 1 1 A 45 45 SER CB C 45 64.070 64.447 -0.377 2
1 435 . 1 1 A 45 45 SER C C 45 173.885 174.289 -0.404 2
stop_
save_