data_10287_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10287
_Entry.PDB_ID 2DA5
_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 7 7 GLY HA2 H 7 4.146 3.926 0.220 1
1 2 . 1 1 1 A 7 7 GLY CA C 7 44.691 46.767 -2.076 1
1 3 . 1 1 1 A 8 8 PRO HA H 8 4.512 4.581 -0.069 1
1 10 . 1 1 1 A 8 8 PRO C C 8 177.365 176.129 1.236 1
1 11 . 1 1 1 A 8 8 PRO CA C 8 63.297 62.707 0.590 1
1 12 . 1 1 1 A 8 8 PRO CB C 8 32.239 32.587 -0.348 1
1 15 . 1 1 1 A 9 9 THR H H 9 8.295 8.399 -0.104 1
1 16 . 1 1 1 A 9 9 THR HA H 9 4.271 4.614 -0.343 1
1 21 . 1 1 1 A 9 9 THR C C 9 174.452 173.995 0.457 1
1 22 . 1 1 1 A 9 9 THR CA C 9 62.276 60.490 1.786 1
1 23 . 1 1 1 A 9 9 THR CB C 9 69.790 70.015 -0.225 1
1 25 . 1 1 1 A 9 9 THR N N 9 114.885 111.582 3.303 1
1 26 . 1 1 1 A 10 10 LYS H H 10 8.284 8.750 -0.466 1
1 27 . 1 1 1 A 10 10 LYS HA H 10 4.281 4.776 -0.495 1
1 35 . 1 1 1 A 10 10 LYS C C 10 176.103 175.162 0.941 1
1 36 . 1 1 1 A 10 10 LYS CA C 10 56.316 54.253 2.063 1
1 37 . 1 1 1 A 10 10 LYS CB C 10 33.062 35.639 -2.577 1
1 41 . 1 1 1 A 10 10 LYS N N 10 123.812 125.117 -1.305 1
1 42 . 1 1 1 A 11 11 TYR H H 11 8.198 8.839 -0.641 1
1 43 . 1 1 1 A 11 11 TYR HA H 11 4.569 5.057 -0.488 1
1 50 . 1 1 1 A 11 11 TYR C C 11 175.496 174.789 0.707 1
1 51 . 1 1 1 A 11 11 TYR CA C 11 58.044 56.542 1.502 1
1 52 . 1 1 1 A 11 11 TYR CB C 11 38.842 40.212 -1.370 1
1 57 . 1 1 1 A 11 11 TYR N N 11 121.375 117.707 3.668 1
1 58 . 1 1 1 A 12 12 LYS H H 12 8.168 8.683 -0.515 1
1 59 . 1 1 1 A 12 12 LYS HA H 12 4.255 4.937 -0.682 1
1 68 . 1 1 1 A 12 12 LYS C C 12 175.861 175.415 0.446 1
1 69 . 1 1 1 A 12 12 LYS CA C 12 56.050 54.800 1.250 1
1 70 . 1 1 1 A 12 12 LYS CB C 12 33.145 35.577 -2.432 1
1 74 . 1 1 1 A 12 12 LYS N N 12 123.375 124.066 -0.691 1
1 75 . 1 1 1 A 13 13 GLU H H 13 8.386 8.809 -0.423 1
1 76 . 1 1 1 A 13 13 GLU HA H 13 4.285 4.648 -0.363 1
1 81 . 1 1 1 A 13 13 GLU C C 13 176.419 176.483 -0.064 1
1 82 . 1 1 1 A 13 13 GLU CA C 13 56.519 55.740 0.779 1
1 83 . 1 1 1 A 13 13 GLU CB C 13 30.261 30.611 -0.350 1
1 85 . 1 1 1 A 13 13 GLU N N 13 122.385 124.285 -1.900 1
1 86 . 1 1 1 A 14 14 ARG H H 14 8.451 8.468 -0.017 1
1 87 . 1 1 1 A 14 14 ARG HA H 14 4.424 4.324 0.100 1
1 94 . 1 1 1 A 14 14 ARG C C 14 175.230 176.175 -0.945 1
1 95 . 1 1 1 A 14 14 ARG CA C 14 55.188 56.916 -1.728 1
1 96 . 1 1 1 A 14 14 ARG CB C 14 31.003 31.033 -0.030 1
1 99 . 1 1 1 A 14 14 ARG N N 14 121.822 123.985 -2.163 1
1 100 . 1 1 1 A 15 15 ALA H H 15 8.444 8.490 -0.046 1
1 101 . 1 1 1 A 15 15 ALA HA H 15 4.633 4.591 0.042 1
1 105 . 1 1 1 A 15 15 ALA C C 15 176.808 177.741 -0.933 1
1 106 . 1 1 1 A 15 15 ALA CA C 15 50.852 50.783 0.069 1
1 107 . 1 1 1 A 15 15 ALA CB C 15 17.938 18.238 -0.300 1
1 108 . 1 1 1 A 15 15 ALA N N 15 125.225 123.556 1.669 1
1 109 . 1 1 1 A 16 16 PRO HA H 16 4.240 4.404 -0.164 1
1 116 . 1 1 1 A 16 16 PRO C C 16 178.993 177.990 1.003 1
1 117 . 1 1 1 A 16 16 PRO CA C 16 65.731 64.504 1.227 1
1 118 . 1 1 1 A 16 16 PRO CB C 16 31.966 32.118 -0.152 1
1 121 . 1 1 1 A 17 17 GLU H H 17 9.453 8.421 1.032 1
1 122 . 1 1 1 A 17 17 GLU HA H 17 4.051 4.073 -0.022 1
1 127 . 1 1 1 A 17 17 GLU C C 17 179.550 179.183 0.367 1
1 128 . 1 1 1 A 17 17 GLU CA C 17 59.568 59.618 -0.050 1
1 129 . 1 1 1 A 17 17 GLU CB C 17 28.613 29.694 -1.081 1
1 131 . 1 1 1 A 17 17 GLU N N 17 116.527 117.955 -1.428 1
1 132 . 1 1 1 A 18 18 GLN H H 18 7.529 8.021 -0.492 1
1 133 . 1 1 1 A 18 18 GLN HA H 18 4.036 3.912 0.124 1
1 140 . 1 1 1 A 18 18 GLN C C 18 176.977 178.309 -1.332 1
1 141 . 1 1 1 A 18 18 GLN CA C 18 58.785 58.740 0.045 1
1 142 . 1 1 1 A 18 18 GLN CB C 18 28.860 28.164 0.696 1
1 144 . 1 1 1 A 18 18 GLN N N 18 119.048 118.939 0.109 1
1 146 . 1 1 1 A 19 19 LEU H H 19 7.664 7.965 -0.301 1
1 147 . 1 1 1 A 19 19 LEU HA H 19 3.755 3.707 0.048 1
1 157 . 1 1 1 A 19 19 LEU C C 19 178.410 178.662 -0.252 1
1 158 . 1 1 1 A 19 19 LEU CA C 19 57.516 57.538 -0.022 1
1 159 . 1 1 1 A 19 19 LEU CB C 19 41.276 41.733 -0.457 1
1 163 . 1 1 1 A 19 19 LEU N N 19 117.171 120.424 -3.253 1
1 164 . 1 1 1 A 20 20 ARG H H 20 8.188 7.667 0.521 1
1 165 . 1 1 1 A 20 20 ARG HA H 20 3.998 3.975 0.023 1
1 172 . 1 1 1 A 20 20 ARG C C 20 178.993 178.531 0.462 1
1 173 . 1 1 1 A 20 20 ARG CA C 20 59.333 59.322 0.011 1
1 174 . 1 1 1 A 20 20 ARG CB C 20 30.096 29.980 0.116 1
1 177 . 1 1 1 A 20 20 ARG N N 20 117.090 118.672 -1.582 1
1 178 . 1 1 1 A 21 21 ALA H H 21 7.176 7.367 -0.191 1
1 179 . 1 1 1 A 21 21 ALA HA H 21 4.092 4.026 0.066 1
1 183 . 1 1 1 A 21 21 ALA C C 21 180.571 179.865 0.706 1
1 184 . 1 1 1 A 21 21 ALA CA C 21 54.941 54.813 0.128 1
1 185 . 1 1 1 A 21 21 ALA CB C 21 17.858 18.208 -0.350 1
1 186 . 1 1 1 A 21 21 ALA N N 21 121.201 120.799 0.402 1
1 187 . 1 1 1 A 22 22 LEU H H 22 7.528 7.948 -0.420 1
1 188 . 1 1 1 A 22 22 LEU HA H 22 3.576 3.629 -0.053 1
1 198 . 1 1 1 A 22 22 LEU C C 22 177.779 178.515 -0.736 1
1 199 . 1 1 1 A 22 22 LEU CA C 22 58.185 57.919 0.266 1
1 200 . 1 1 1 A 22 22 LEU CB C 22 38.666 40.791 -2.125 1
1 204 . 1 1 1 A 22 22 LEU N N 22 119.669 118.665 1.004 1
1 205 . 1 1 1 A 23 23 GLU H H 23 8.516 8.505 0.011 1
1 206 . 1 1 1 A 23 23 GLU HA H 23 4.221 4.185 0.036 1
1 211 . 1 1 1 A 23 23 GLU C C 23 180.352 179.183 1.169 1
1 212 . 1 1 1 A 23 23 GLU CA C 23 59.489 59.956 -0.467 1
1 213 . 1 1 1 A 23 23 GLU CB C 23 29.317 29.423 -0.106 1
1 215 . 1 1 1 A 23 23 GLU N N 23 117.420 117.738 -0.318 1
1 216 . 1 1 1 A 24 24 SER H H 24 8.209 7.504 0.705 1
1 217 . 1 1 1 A 24 24 SER HA H 24 4.303 4.239 0.064 1
1 220 . 1 1 1 A 24 24 SER C C 24 176.710 177.280 -0.570 1
1 221 . 1 1 1 A 24 24 SER CA C 24 61.852 61.573 0.279 1
1 222 . 1 1 1 A 24 24 SER CB C 24 62.767 62.834 -0.067 1
1 223 . 1 1 1 A 24 24 SER N N 24 114.551 116.314 -1.763 1
1 224 . 1 1 1 A 25 25 SER H H 25 7.396 8.164 -0.768 1
1 225 . 1 1 1 A 25 25 SER HA H 25 4.388 4.300 0.088 1
1 228 . 1 1 1 A 25 25 SER C C 25 177.415 177.037 0.378 1
1 229 . 1 1 1 A 25 25 SER CA C 25 61.428 61.603 -0.175 1
1 230 . 1 1 1 A 25 25 SER CB C 25 63.319 62.826 0.493 1
1 231 . 1 1 1 A 25 25 SER N N 25 115.081 115.640 -0.559 1
1 232 . 1 1 1 A 26 26 PHE H H 26 9.019 8.959 0.060 1
1 233 . 1 1 1 A 26 26 PHE HA H 26 4.201 4.471 -0.270 1
1 241 . 1 1 1 A 26 26 PHE C C 26 176.419 176.939 -0.520 1
1 242 . 1 1 1 A 26 26 PHE CA C 26 62.239 62.437 -0.198 1
1 243 . 1 1 1 A 26 26 PHE CB C 26 39.437 39.215 0.222 1
1 249 . 1 1 1 A 26 26 PHE N N 26 120.609 123.431 -2.822 1
1 250 . 1 1 1 A 27 27 ALA H H 27 8.045 7.940 0.105 1
1 251 . 1 1 1 A 27 27 ALA HA H 27 4.062 4.023 0.039 1
1 255 . 1 1 1 A 27 27 ALA C C 27 179.478 179.787 -0.309 1
1 256 . 1 1 1 A 27 27 ALA CA C 27 53.940 55.158 -1.218 1
1 257 . 1 1 1 A 27 27 ALA CB C 27 18.395 18.611 -0.216 1
1 258 . 1 1 1 A 27 27 ALA N N 27 116.245 121.008 -4.763 1
1 259 . 1 1 1 A 28 28 GLN H H 28 7.416 7.702 -0.286 1
1 260 . 1 1 1 A 28 28 GLN HA H 28 4.198 4.209 -0.011 1
1 267 . 1 1 1 A 28 28 GLN C C 28 177.124 176.135 0.989 1
1 268 . 1 1 1 A 28 28 GLN CA C 28 57.586 58.366 -0.780 1
1 269 . 1 1 1 A 28 28 GLN CB C 28 29.250 29.276 -0.026 1
1 271 . 1 1 1 A 28 28 GLN N N 28 115.857 116.193 -0.336 1
1 273 . 1 1 1 A 29 29 ASN H H 29 8.006 7.465 0.541 1
1 274 . 1 1 1 A 29 29 ASN HA H 29 4.780 4.937 -0.157 1
1 279 . 1 1 1 A 29 29 ASN C C 29 172.728 174.709 -1.981 1
1 280 . 1 1 1 A 29 29 ASN CA C 29 51.028 50.744 0.284 1
1 281 . 1 1 1 A 29 29 ASN CB C 29 39.656 40.921 -1.265 1
1 282 . 1 1 1 A 29 29 ASN N N 29 114.892 113.712 1.180 1
1 284 . 1 1 1 A 30 30 PRO HA H 30 4.218 4.827 -0.609 1
1 291 . 1 1 1 A 30 30 PRO C C 30 174.525 176.454 -1.929 1
1 292 . 1 1 1 A 30 30 PRO CA C 30 63.827 64.746 -0.919 1
1 293 . 1 1 1 A 30 30 PRO CB C 30 33.212 32.244 0.968 1
1 296 . 1 1 1 A 31 31 LEU H H 31 7.568 7.917 -0.349 1
1 297 . 1 1 1 A 31 31 LEU HA H 31 4.709 4.378 0.331 1
1 307 . 1 1 1 A 31 31 LEU C C 31 172.607 173.730 -1.123 1
1 308 . 1 1 1 A 31 31 LEU CA C 31 51.944 51.704 0.240 1
1 309 . 1 1 1 A 31 31 LEU CB C 31 42.822 42.831 -0.009 1
1 313 . 1 1 1 A 31 31 LEU N N 31 120.819 118.071 2.748 1
1 314 . 1 1 1 A 32 32 PRO HA H 32 4.073 4.510 -0.437 1
1 321 . 1 1 1 A 32 32 PRO C C 32 177.293 177.107 0.186 1
1 322 . 1 1 1 A 32 32 PRO CA C 32 62.627 62.444 0.183 1
1 323 . 1 1 1 A 32 32 PRO CB C 32 31.663 32.009 -0.346 1
1 326 . 1 1 1 A 33 33 LEU H H 33 8.254 8.418 -0.164 1
1 327 . 1 1 1 A 33 33 LEU HA H 33 4.410 4.556 -0.146 1
1 337 . 1 1 1 A 33 33 LEU C C 33 178.312 177.744 0.568 1
1 338 . 1 1 1 A 33 33 LEU CA C 33 53.742 54.062 -0.320 1
1 339 . 1 1 1 A 33 33 LEU CB C 33 42.620 42.750 -0.130 1
1 343 . 1 1 1 A 33 33 LEU N N 33 119.030 121.925 -2.895 1
1 344 . 1 1 1 A 34 34 ASP H H 34 8.532 9.027 -0.495 1
1 345 . 1 1 1 A 34 34 ASP HA H 34 4.187 4.366 -0.179 1
1 348 . 1 1 1 A 34 34 ASP C C 34 177.731 178.406 -0.675 1
1 349 . 1 1 1 A 34 34 ASP CA C 34 58.678 57.151 1.527 1
1 350 . 1 1 1 A 34 34 ASP CB C 34 40.871 39.890 0.981 1
1 351 . 1 1 1 A 34 34 ASP N N 34 120.283 121.076 -0.793 1
1 352 . 1 1 1 A 35 35 GLU H H 35 8.841 8.218 0.623 1
1 353 . 1 1 1 A 35 35 GLU HA H 35 4.135 3.974 0.161 1
1 358 . 1 1 1 A 35 35 GLU C C 35 178.919 178.694 0.225 1
1 359 . 1 1 1 A 35 35 GLU CA C 35 59.801 59.599 0.202 1
1 360 . 1 1 1 A 35 35 GLU CB C 35 28.860 29.370 -0.510 1
1 362 . 1 1 1 A 35 35 GLU N N 35 116.076 119.195 -3.119 1
1 363 . 1 1 1 A 36 36 GLU H H 36 7.242 8.193 -0.951 1
1 364 . 1 1 1 A 36 36 GLU HA H 36 4.762 4.054 0.708 1
1 369 . 1 1 1 A 36 36 GLU C C 36 178.264 178.761 -0.497 1
1 370 . 1 1 1 A 36 36 GLU CA C 36 57.303 59.069 -1.766 1
1 371 . 1 1 1 A 36 36 GLU CB C 36 28.799 29.460 -0.661 1
1 373 . 1 1 1 A 36 36 GLU N N 36 121.997 120.355 1.642 1
1 374 . 1 1 1 A 37 37 LEU H H 37 7.778 8.057 -0.279 1
1 375 . 1 1 1 A 37 37 LEU HA H 37 3.956 4.195 -0.239 1
1 385 . 1 1 1 A 37 37 LEU C C 37 179.381 178.780 0.601 1
1 386 . 1 1 1 A 37 37 LEU CA C 37 58.608 57.470 1.138 1
1 387 . 1 1 1 A 37 37 LEU CB C 37 41.227 41.129 0.098 1
1 391 . 1 1 1 A 37 37 LEU N N 37 120.816 120.590 0.226 1
1 392 . 1 1 1 A 38 38 ASP H H 38 8.446 8.692 -0.246 1
1 393 . 1 1 1 A 38 38 ASP HA H 38 4.455 4.326 0.129 1
1 396 . 1 1 1 A 38 38 ASP C C 38 179.162 178.588 0.574 1
1 397 . 1 1 1 A 38 38 ASP CA C 38 57.550 57.717 -0.167 1
1 398 . 1 1 1 A 38 38 ASP CB C 38 40.313 42.221 -1.908 1
1 399 . 1 1 1 A 38 38 ASP N N 38 118.274 119.755 -1.481 1
1 400 . 1 1 1 A 39 39 ARG H H 39 7.964 7.612 0.352 1
1 401 . 1 1 1 A 39 39 ARG HA H 39 4.066 4.074 -0.008 1
1 409 . 1 1 1 A 39 39 ARG C C 39 179.867 178.674 1.193 1
1 410 . 1 1 1 A 39 39 ARG CA C 39 59.801 59.189 0.612 1
1 411 . 1 1 1 A 39 39 ARG CB C 39 29.849 30.416 -0.567 1
1 414 . 1 1 1 A 39 39 ARG N N 39 123.855 119.333 4.522 1
1 416 . 1 1 1 A 40 40 LEU H H 40 8.686 7.917 0.769 1
1 417 . 1 1 1 A 40 40 LEU HA H 40 4.045 3.931 0.114 1
1 427 . 1 1 1 A 40 40 LEU C C 40 180.716 179.186 1.530 1
1 428 . 1 1 1 A 40 40 LEU CA C 40 57.782 58.015 -0.233 1
1 429 . 1 1 1 A 40 40 LEU CB C 40 43.153 41.615 1.538 1
1 433 . 1 1 1 A 40 40 LEU N N 40 118.936 120.040 -1.104 1
1 434 . 1 1 1 A 41 41 ARG H H 41 8.500 8.656 -0.156 1
1 435 . 1 1 1 A 41 41 ARG HA H 41 4.078 4.151 -0.073 1
1 442 . 1 1 1 A 41 41 ARG C C 41 178.702 179.036 -0.334 1
1 443 . 1 1 1 A 41 41 ARG CA C 41 60.336 59.821 0.515 1
1 444 . 1 1 1 A 41 41 ARG CB C 41 29.767 29.808 -0.041 1
1 447 . 1 1 1 A 41 41 ARG N N 41 125.386 119.116 6.270 1
1 448 . 1 1 1 A 42 42 SER H H 42 7.762 7.897 -0.135 1
1 449 . 1 1 1 A 42 42 SER HA H 42 4.238 4.157 0.081 1
1 452 . 1 1 1 A 42 42 SER C C 42 176.030 177.069 -1.039 1
1 453 . 1 1 1 A 42 42 SER CA C 42 61.535 61.521 0.014 1
1 454 . 1 1 1 A 42 42 SER CB C 42 62.892 62.878 0.014 1
1 455 . 1 1 1 A 42 42 SER N N 42 114.493 115.410 -0.917 1
1 456 . 1 1 1 A 43 43 GLU H H 43 8.031 7.694 0.337 1
1 457 . 1 1 1 A 43 43 GLU HA H 43 4.220 4.160 0.060 1
1 462 . 1 1 1 A 43 43 GLU C C 43 178.264 179.035 -0.771 1
1 463 . 1 1 1 A 43 43 GLU CA C 43 58.855 59.003 -0.148 1
1 464 . 1 1 1 A 43 43 GLU CB C 43 30.959 30.234 0.725 1
1 466 . 1 1 1 A 43 43 GLU N N 43 118.451 121.623 -3.172 1
1 467 . 1 1 1 A 44 44 THR H H 44 8.387 8.250 0.137 1
1 468 . 1 1 1 A 44 44 THR HA H 44 4.333 4.053 0.280 1
1 473 . 1 1 1 A 44 44 THR C C 44 175.787 174.820 0.967 1
1 474 . 1 1 1 A 44 44 THR CA C 44 63.333 64.176 -0.843 1
1 475 . 1 1 1 A 44 44 THR CB C 44 72.112 69.986 2.126 1
1 477 . 1 1 1 A 44 44 THR N N 44 105.689 111.310 -5.621 1
1 478 . 1 1 1 A 45 45 LYS H H 45 7.962 7.867 0.095 1
1 479 . 1 1 1 A 45 45 LYS HA H 45 4.042 4.133 -0.091 1
1 488 . 1 1 1 A 45 45 LYS C C 45 176.298 174.682 1.616 1
1 489 . 1 1 1 A 45 45 LYS CA C 45 57.934 57.332 0.602 1
1 490 . 1 1 1 A 45 45 LYS CB C 45 29.024 29.372 -0.348 1
1 494 . 1 1 1 A 45 45 LYS N N 45 115.260 116.856 -1.596 1
1 495 . 1 1 1 A 46 46 MET H H 46 7.750 7.452 0.298 1
1 496 . 1 1 1 A 46 46 MET HA H 46 4.498 5.293 -0.795 1
1 504 . 1 1 1 A 46 46 MET C C 46 176.127 175.110 1.017 1
1 505 . 1 1 1 A 46 46 MET CA C 46 55.788 54.079 1.709 1
1 506 . 1 1 1 A 46 46 MET CB C 46 36.233 37.796 -1.563 1
1 509 . 1 1 1 A 46 46 MET N N 46 119.026 116.016 3.010 1
1 510 . 1 1 1 A 47 47 THR H H 47 8.712 8.254 0.458 1
1 511 . 1 1 1 A 47 47 THR HA H 47 4.376 4.846 -0.470 1
1 516 . 1 1 1 A 47 47 THR C C 47 175.812 176.412 -0.600 1
1 517 . 1 1 1 A 47 47 THR CA C 47 61.011 59.866 1.145 1
1 518 . 1 1 1 A 47 47 THR CB C 47 70.885 71.662 -0.777 1
1 520 . 1 1 1 A 47 47 THR N N 47 109.504 111.291 -1.787 1
1 521 . 1 1 1 A 48 48 ARG H H 48 9.074 8.993 0.081 1
1 522 . 1 1 1 A 48 48 ARG HA H 48 3.910 3.963 -0.053 1
1 530 . 1 1 1 A 48 48 ARG C C 48 178.119 177.934 0.185 1
1 531 . 1 1 1 A 48 48 ARG CA C 48 59.242 60.281 -1.039 1
1 532 . 1 1 1 A 48 48 ARG CB C 48 29.189 29.930 -0.741 1
1 535 . 1 1 1 A 48 48 ARG N N 48 120.559 122.315 -1.756 1
1 537 . 1 1 1 A 49 49 ARG H H 49 8.384 8.221 0.163 1
1 538 . 1 1 1 A 49 49 ARG HA H 49 4.237 4.082 0.155 1
1 545 . 1 1 1 A 49 49 ARG C C 49 179.478 178.726 0.752 1
1 546 . 1 1 1 A 49 49 ARG CA C 49 59.419 59.053 0.366 1
1 547 . 1 1 1 A 49 49 ARG CB C 49 30.014 30.182 -0.168 1
1 550 . 1 1 1 A 49 49 ARG N N 49 117.267 118.292 -1.025 1
1 551 . 1 1 1 A 50 50 GLU H H 50 7.869 7.940 -0.071 1
1 552 . 1 1 1 A 50 50 GLU HA H 50 4.073 4.062 0.011 1
1 557 . 1 1 1 A 50 50 GLU C C 50 180.036 179.266 0.770 1
1 558 . 1 1 1 A 50 50 GLU CA C 50 59.419 58.906 0.513 1
1 559 . 1 1 1 A 50 50 GLU CB C 50 30.672 29.497 1.175 1
1 561 . 1 1 1 A 50 50 GLU N N 50 119.568 119.041 0.527 1
1 562 . 1 1 1 A 51 51 ILE H H 51 8.451 8.403 0.048 1
1 563 . 1 1 1 A 51 51 ILE HA H 51 3.795 3.630 0.165 1
1 573 . 1 1 1 A 51 51 ILE C C 51 177.706 177.824 -0.118 1
1 574 . 1 1 1 A 51 51 ILE CA C 51 66.329 65.690 0.639 1
1 575 . 1 1 1 A 51 51 ILE CB C 51 38.715 38.013 0.702 1
1 579 . 1 1 1 A 51 51 ILE N N 51 122.516 121.204 1.312 1
1 580 . 1 1 1 A 52 52 ASP H H 52 9.078 8.584 0.494 1
1 581 . 1 1 1 A 52 52 ASP HA H 52 4.561 4.552 0.009 1
1 584 . 1 1 1 A 52 52 ASP C C 52 180.085 178.033 2.052 1
1 585 . 1 1 1 A 52 52 ASP CA C 52 58.249 57.742 0.507 1
1 586 . 1 1 1 A 52 52 ASP CB C 52 40.908 41.474 -0.566 1
1 587 . 1 1 1 A 52 52 ASP N N 52 121.201 121.042 0.159 1
1 588 . 1 1 1 A 53 53 SER H H 53 8.298 7.823 0.475 1
1 589 . 1 1 1 A 53 53 SER HA H 53 4.362 4.224 0.138 1
1 592 . 1 1 1 A 53 53 SER C C 53 175.934 176.917 -0.983 1
1 593 . 1 1 1 A 53 53 SER CA C 53 61.928 61.291 0.637 1
1 594 . 1 1 1 A 53 53 SER CB C 53 62.974 63.063 -0.089 1
1 595 . 1 1 1 A 53 53 SER N N 53 114.616 113.537 1.079 1
1 596 . 1 1 1 A 54 54 TRP H H 54 8.315 8.056 0.259 1
1 597 . 1 1 1 A 54 54 TRP HA H 54 3.993 4.214 -0.221 1
1 606 . 1 1 1 A 54 54 TRP C C 54 179.453 177.760 1.693 1
1 607 . 1 1 1 A 54 54 TRP CA C 54 63.191 61.266 1.925 1
1 608 . 1 1 1 A 54 54 TRP CB C 54 28.777 30.130 -1.353 1
1 614 . 1 1 1 A 54 54 TRP N N 54 123.444 124.102 -0.658 1
1 616 . 1 1 1 A 55 55 PHE H H 55 9.110 8.068 1.042 1
1 617 . 1 1 1 A 55 55 PHE HA H 55 3.880 4.024 -0.144 1
1 625 . 1 1 1 A 55 55 PHE C C 55 178.119 178.413 -0.294 1
1 626 . 1 1 1 A 55 55 PHE CA C 55 63.563 61.435 2.128 1
1 627 . 1 1 1 A 55 55 PHE CB C 55 39.721 39.307 0.414 1
1 633 . 1 1 1 A 55 55 PHE N N 55 119.065 118.370 0.695 1
1 634 . 1 1 1 A 56 56 SER H H 56 8.330 8.236 0.094 1
1 635 . 1 1 1 A 56 56 SER HA H 56 4.173 4.235 -0.062 1
1 638 . 1 1 1 A 56 56 SER C C 56 177.851 175.282 2.569 1
1 639 . 1 1 1 A 56 56 SER CA C 56 61.958 61.061 0.897 1
1 640 . 1 1 1 A 56 56 SER CB C 56 62.727 62.881 -0.154 1
1 641 . 1 1 1 A 56 56 SER N N 56 113.028 114.275 -1.247 1
1 642 . 1 1 1 A 57 57 GLU H H 57 8.070 8.137 -0.067 1
1 643 . 1 1 1 A 57 57 GLU HA H 57 3.922 4.257 -0.335 1
1 648 . 1 1 1 A 57 57 GLU C C 57 178.895 177.610 1.285 1
1 649 . 1 1 1 A 57 57 GLU CA C 57 58.629 57.038 1.591 1
1 650 . 1 1 1 A 57 57 GLU CB C 57 29.107 30.175 -1.068 1
1 652 . 1 1 1 A 57 57 GLU N N 57 119.996 119.252 0.744 1
1 653 . 1 1 1 A 58 58 ARG H H 58 8.048 7.922 0.126 1
1 654 . 1 1 1 A 58 58 ARG HA H 58 3.489 3.717 -0.228 1
1 662 . 1 1 1 A 58 58 ARG C C 58 179.186 178.144 1.042 1
1 663 . 1 1 1 A 58 58 ARG CA C 58 56.770 58.090 -1.320 1
1 664 . 1 1 1 A 58 58 ARG CB C 58 28.145 29.454 -1.309 1
1 667 . 1 1 1 A 58 58 ARG N N 58 122.160 120.657 1.503 1
1 669 . 1 1 1 A 59 59 ARG H H 59 8.093 8.290 -0.197 1
1 670 . 1 1 1 A 59 59 ARG HA H 59 4.212 4.255 -0.043 1
1 677 . 1 1 1 A 59 59 ARG C C 59 178.458 177.542 0.916 1
1 678 . 1 1 1 A 59 59 ARG CA C 59 60.019 58.866 1.153 1
1 679 . 1 1 1 A 59 59 ARG CB C 59 31.689 29.761 1.928 1
1 682 . 1 1 1 A 59 59 ARG N N 59 116.818 118.116 -1.298 1
1 683 . 1 1 1 A 60 60 LYS H H 60 7.418 7.921 -0.503 1
1 684 . 1 1 1 A 60 60 LYS HA H 60 4.154 4.072 0.082 1
1 693 . 1 1 1 A 60 60 LYS C C 60 177.803 178.912 -1.109 1
1 694 . 1 1 1 A 60 60 LYS CA C 60 58.327 59.030 -0.703 1
1 695 . 1 1 1 A 60 60 LYS CB C 60 32.651 32.059 0.592 1
1 699 . 1 1 1 A 60 60 LYS N N 60 117.893 118.396 -0.503 1
1 700 . 1 1 1 A 61 61 LYS H H 61 7.510 7.915 -0.405 1
1 701 . 1 1 1 A 61 61 LYS HA H 61 4.177 4.123 0.054 1
1 710 . 1 1 1 A 61 61 LYS C C 61 177.317 178.819 -1.502 1
1 711 . 1 1 1 A 61 61 LYS CA C 61 57.516 58.978 -1.462 1
1 712 . 1 1 1 A 61 61 LYS CB C 61 32.809 32.049 0.760 1
1 716 . 1 1 1 A 61 61 LYS N N 61 119.359 119.826 -0.467 1
1 717 . 1 1 1 A 62 62 VAL H H 62 7.805 7.915 -0.110 1
1 718 . 1 1 1 A 62 62 VAL HA H 62 4.013 3.647 0.366 1
1 726 . 1 1 1 A 62 62 VAL C C 62 176.784 177.763 -0.979 1
1 727 . 1 1 1 A 62 62 VAL CA C 62 63.755 66.198 -2.443 1
1 728 . 1 1 1 A 62 62 VAL CB C 62 32.365 31.320 1.045 1
1 731 . 1 1 1 A 62 62 VAL N N 62 119.337 120.340 -1.003 1
1 732 . 1 1 1 A 63 63 ASN H H 63 8.282 8.126 0.156 1
1 733 . 1 1 1 A 63 63 ASN HA H 63 4.700 4.594 0.106 1
1 738 . 1 1 1 A 63 63 ASN C C 63 175.594 176.590 -0.996 1
1 739 . 1 1 1 A 63 63 ASN CA C 63 53.962 55.559 -1.597 1
1 740 . 1 1 1 A 63 63 ASN CB C 63 38.913 38.565 0.348 1
1 741 . 1 1 1 A 63 63 ASN N N 63 120.443 119.387 1.056 1
1 743 . 1 1 1 A 64 64 ALA H H 64 8.225 7.049 1.176 1
1 744 . 1 1 1 A 64 64 ALA HA H 64 4.290 4.331 -0.041 1
1 748 . 1 1 1 A 64 64 ALA C C 64 178.312 177.479 0.833 1
1 749 . 1 1 1 A 64 64 ALA CA C 64 53.319 54.143 -0.824 1
1 750 . 1 1 1 A 64 64 ALA CB C 64 19.055 19.418 -0.363 1
1 751 . 1 1 1 A 64 64 ALA N N 64 123.747 120.357 3.390 1
1 752 . 1 1 1 A 65 65 GLU H H 65 8.262 7.534 0.728 1
1 753 . 1 1 1 A 65 65 GLU HA H 65 4.233 4.312 -0.079 1
1 758 . 1 1 1 A 65 65 GLU C C 65 177.244 176.404 0.840 1
1 759 . 1 1 1 A 65 65 GLU CA C 65 57.269 56.502 0.767 1
1 760 . 1 1 1 A 65 65 GLU CB C 65 30.114 30.263 -0.149 1
1 762 . 1 1 1 A 65 65 GLU N N 65 118.780 116.381 2.399 1
1 763 . 1 1 1 A 66 66 GLU H H 66 8.327 9.013 -0.686 1
1 764 . 1 1 1 A 66 66 GLU HA H 66 4.301 3.944 0.357 1
1 769 . 1 1 1 A 66 66 GLU C C 66 177.244 175.676 1.568 1
1 770 . 1 1 1 A 66 66 GLU CA C 66 57.197 57.317 -0.120 1
1 771 . 1 1 1 A 66 66 GLU CB C 66 30.227 28.702 1.525 1
1 773 . 1 1 1 A 66 66 GLU N N 66 120.955 120.136 0.819 1
1 774 . 1 1 1 A 67 67 THR H H 67 8.135 7.730 0.405 1
1 775 . 1 1 1 A 67 67 THR HA H 67 4.280 4.206 0.074 1
1 780 . 1 1 1 A 67 67 THR C C 67 174.816 177.321 -2.505 1
1 781 . 1 1 1 A 67 67 THR CA C 67 62.615 64.082 -1.467 1
1 782 . 1 1 1 A 67 67 THR CB C 67 69.648 68.933 0.715 1
1 784 . 1 1 1 A 67 67 THR N N 67 114.856 115.107 -0.251 1
1 785 . 1 1 1 A 68 68 LYS H H 68 8.202 8.845 -0.643 1
1 786 . 1 1 1 A 68 68 LYS HA H 68 4.327 3.996 0.331 1
1 795 . 1 1 1 A 68 68 LYS C C 68 176.637 177.057 -0.420 1
1 796 . 1 1 1 A 68 68 LYS CA C 68 56.599 59.199 -2.600 1
1 797 . 1 1 1 A 68 68 LYS CB C 68 32.898 31.995 0.903 1
1 801 . 1 1 1 A 68 68 LYS N N 68 123.462 124.734 -1.272 1
1 802 . 1 1 1 A 69 69 LYS H H 69 8.300 7.550 0.750 1
1 803 . 1 1 1 A 69 69 LYS HA H 69 4.375 4.314 0.061 1
1 812 . 1 1 1 A 69 69 LYS C C 69 176.661 175.750 0.911 1
1 813 . 1 1 1 A 69 69 LYS CA C 69 56.458 56.453 0.005 1
1 814 . 1 1 1 A 69 69 LYS CB C 69 33.145 32.777 0.368 1
1 818 . 1 1 1 A 69 69 LYS N N 69 122.321 120.279 2.042 1
1 819 . 1 1 1 A 70 70 SER H H 70 8.330 8.653 -0.323 1
1 820 . 1 1 1 A 70 70 SER HA H 70 4.536 4.638 -0.102 1
1 823 . 1 1 1 A 70 70 SER C C 70 174.525 173.823 0.702 1
1 824 . 1 1 1 A 70 70 SER CA C 70 58.361 57.026 1.335 1
1 825 . 1 1 1 A 70 70 SER CB C 70 64.022 63.132 0.890 1
1 826 . 1 1 1 A 70 70 SER N N 70 116.687 117.262 -0.575 1
1 827 . 1 1 1 A 71 71 GLY H H 71 8.250 8.977 -0.727 1
1 828 . 1 1 1 A 71 71 GLY C C 71 171.782 172.564 -0.782 1
1 829 . 1 1 1 A 71 71 GLY CA C 71 44.717 45.714 -0.997 1
1 830 . 1 1 1 A 71 71 GLY N N 71 110.366 115.326 -4.960 1
1 831 . 1 1 1 A 72 72 PRO HA H 72 4.141 4.687 -0.546 1
1 832 . 1 1 1 A 74 74 SER HA H 74 4.526 4.220 0.306 1
1 835 . 1 1 1 A 74 74 SER C C 74 173.918 175.610 -1.692 1
1 836 . 1 1 1 A 74 74 SER CA C 74 58.528 60.099 -1.571 1
1 837 . 1 1 1 A 74 74 SER CB C 74 63.972 62.690 1.282 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 4.146 4.014 0.132 1
1 2 . 2 1 1 A 7 7 GLY CA C 7 44.691 45.954 -1.263 1
1 3 . 2 1 1 A 8 8 PRO HA H 8 4.512 4.600 -0.088 1
1 10 . 2 1 1 A 8 8 PRO C C 8 177.365 176.190 1.175 1
1 11 . 2 1 1 A 8 8 PRO CA C 8 63.297 63.870 -0.573 1
1 12 . 2 1 1 A 8 8 PRO CB C 8 32.239 31.672 0.567 1
1 15 . 2 1 1 A 9 9 THR H H 9 8.295 7.853 0.442 1
1 16 . 2 1 1 A 9 9 THR HA H 9 4.271 4.438 -0.167 1
1 21 . 2 1 1 A 9 9 THR C C 9 174.452 174.666 -0.214 1
1 22 . 2 1 1 A 9 9 THR CA C 9 62.276 61.007 1.269 1
1 23 . 2 1 1 A 9 9 THR CB C 9 69.790 70.151 -0.361 1
1 25 . 2 1 1 A 9 9 THR N N 9 114.885 109.579 5.306 1
1 26 . 2 1 1 A 10 10 LYS H H 10 8.284 8.422 -0.138 1
1 27 . 2 1 1 A 10 10 LYS HA H 10 4.281 5.133 -0.852 1
1 35 . 2 1 1 A 10 10 LYS C C 10 176.103 174.128 1.975 1
1 36 . 2 1 1 A 10 10 LYS CA C 10 56.316 54.865 1.451 1
1 37 . 2 1 1 A 10 10 LYS CB C 10 33.062 35.945 -2.883 1
1 41 . 2 1 1 A 10 10 LYS N N 10 123.812 122.405 1.407 1
1 42 . 2 1 1 A 11 11 TYR H H 11 8.198 9.126 -0.928 1
1 43 . 2 1 1 A 11 11 TYR HA H 11 4.569 5.063 -0.494 1
1 50 . 2 1 1 A 11 11 TYR C C 11 175.496 174.906 0.590 1
1 51 . 2 1 1 A 11 11 TYR CA C 11 58.044 56.630 1.414 1
1 52 . 2 1 1 A 11 11 TYR CB C 11 38.842 42.921 -4.079 1
1 57 . 2 1 1 A 11 11 TYR N N 11 121.375 121.527 -0.152 1
1 58 . 2 1 1 A 12 12 LYS H H 12 8.168 8.408 -0.240 1
1 59 . 2 1 1 A 12 12 LYS HA H 12 4.255 4.657 -0.402 1
1 68 . 2 1 1 A 12 12 LYS C C 12 175.861 176.466 -0.605 1
1 69 . 2 1 1 A 12 12 LYS CA C 12 56.050 56.489 -0.439 1
1 70 . 2 1 1 A 12 12 LYS CB C 12 33.145 32.940 0.205 1
1 74 . 2 1 1 A 12 12 LYS N N 12 123.375 121.954 1.421 1
1 75 . 2 1 1 A 13 13 GLU H H 13 8.386 8.924 -0.538 1
1 76 . 2 1 1 A 13 13 GLU HA H 13 4.285 4.931 -0.646 1
1 81 . 2 1 1 A 13 13 GLU C C 13 176.419 175.461 0.958 1
1 82 . 2 1 1 A 13 13 GLU CA C 13 56.519 54.249 2.270 1
1 83 . 2 1 1 A 13 13 GLU CB C 13 30.261 33.900 -3.639 1
1 85 . 2 1 1 A 13 13 GLU N N 13 122.385 123.657 -1.272 1
1 86 . 2 1 1 A 14 14 ARG H H 14 8.451 8.369 0.082 1
1 87 . 2 1 1 A 14 14 ARG HA H 14 4.424 4.639 -0.215 1
1 94 . 2 1 1 A 14 14 ARG C C 14 175.230 176.136 -0.906 1
1 95 . 2 1 1 A 14 14 ARG CA C 14 55.188 55.695 -0.507 1
1 96 . 2 1 1 A 14 14 ARG CB C 14 31.003 31.865 -0.862 1
1 99 . 2 1 1 A 14 14 ARG N N 14 121.822 121.468 0.354 1
1 100 . 2 1 1 A 15 15 ALA H H 15 8.444 8.623 -0.179 1
1 101 . 2 1 1 A 15 15 ALA HA H 15 4.633 4.706 -0.073 1
1 105 . 2 1 1 A 15 15 ALA C C 15 176.808 177.777 -0.969 1
1 106 . 2 1 1 A 15 15 ALA CA C 15 50.852 50.640 0.212 1
1 107 . 2 1 1 A 15 15 ALA CB C 15 17.938 18.922 -0.984 1
1 108 . 2 1 1 A 15 15 ALA N N 15 125.225 123.450 1.775 1
1 109 . 2 1 1 A 16 16 PRO HA H 16 4.240 4.380 -0.140 1
1 116 . 2 1 1 A 16 16 PRO C C 16 178.993 178.691 0.302 1
1 117 . 2 1 1 A 16 16 PRO CA C 16 65.731 64.826 0.905 1
1 118 . 2 1 1 A 16 16 PRO CB C 16 31.966 32.141 -0.175 1
1 121 . 2 1 1 A 17 17 GLU H H 17 9.453 8.382 1.071 1
1 122 . 2 1 1 A 17 17 GLU HA H 17 4.051 4.051 0.000 1
1 127 . 2 1 1 A 17 17 GLU C C 17 179.550 179.749 -0.199 1
1 128 . 2 1 1 A 17 17 GLU CA C 17 59.568 59.959 -0.391 1
1 129 . 2 1 1 A 17 17 GLU CB C 17 28.613 29.156 -0.543 1
1 131 . 2 1 1 A 17 17 GLU N N 17 116.527 118.282 -1.755 1
1 132 . 2 1 1 A 18 18 GLN H H 18 7.529 7.988 -0.459 1
1 133 . 2 1 1 A 18 18 GLN HA H 18 4.036 3.927 0.109 1
1 140 . 2 1 1 A 18 18 GLN C C 18 176.977 178.313 -1.336 1
1 141 . 2 1 1 A 18 18 GLN CA C 18 58.785 58.854 -0.069 1
1 142 . 2 1 1 A 18 18 GLN CB C 18 28.860 28.301 0.559 1
1 144 . 2 1 1 A 18 18 GLN N N 18 119.048 118.957 0.091 1
1 146 . 2 1 1 A 19 19 LEU H H 19 7.664 8.147 -0.483 1
1 147 . 2 1 1 A 19 19 LEU HA H 19 3.755 3.712 0.043 1
1 157 . 2 1 1 A 19 19 LEU C C 19 178.410 178.637 -0.227 1
1 158 . 2 1 1 A 19 19 LEU CA C 19 57.516 57.553 -0.037 1
1 159 . 2 1 1 A 19 19 LEU CB C 19 41.276 41.594 -0.318 1
1 163 . 2 1 1 A 19 19 LEU N N 19 117.171 120.680 -3.509 1
1 164 . 2 1 1 A 20 20 ARG H H 20 8.188 7.855 0.333 1
1 165 . 2 1 1 A 20 20 ARG HA H 20 3.998 3.974 0.024 1
1 172 . 2 1 1 A 20 20 ARG C C 20 178.993 178.338 0.655 1
1 173 . 2 1 1 A 20 20 ARG CA C 20 59.333 59.476 -0.143 1
1 174 . 2 1 1 A 20 20 ARG CB C 20 30.096 29.915 0.181 1
1 177 . 2 1 1 A 20 20 ARG N N 20 117.090 118.680 -1.590 1
1 178 . 2 1 1 A 21 21 ALA H H 21 7.176 7.643 -0.467 1
1 179 . 2 1 1 A 21 21 ALA HA H 21 4.092 4.022 0.070 1
1 183 . 2 1 1 A 21 21 ALA C C 21 180.571 180.029 0.542 1
1 184 . 2 1 1 A 21 21 ALA CA C 21 54.941 54.816 0.125 1
1 185 . 2 1 1 A 21 21 ALA CB C 21 17.858 18.110 -0.252 1
1 186 . 2 1 1 A 21 21 ALA N N 21 121.201 121.191 0.010 1
1 187 . 2 1 1 A 22 22 LEU H H 22 7.528 7.999 -0.471 1
1 188 . 2 1 1 A 22 22 LEU HA H 22 3.576 3.609 -0.033 1
1 198 . 2 1 1 A 22 22 LEU C C 22 177.779 178.426 -0.647 1
1 199 . 2 1 1 A 22 22 LEU CA C 22 58.185 57.754 0.431 1
1 200 . 2 1 1 A 22 22 LEU CB C 22 38.666 40.769 -2.103 1
1 204 . 2 1 1 A 22 22 LEU N N 22 119.669 118.580 1.089 1
1 205 . 2 1 1 A 23 23 GLU H H 23 8.516 8.163 0.353 1
1 206 . 2 1 1 A 23 23 GLU HA H 23 4.221 4.248 -0.027 1
1 211 . 2 1 1 A 23 23 GLU C C 23 180.352 179.271 1.081 1
1 212 . 2 1 1 A 23 23 GLU CA C 23 59.489 60.346 -0.857 1
1 213 . 2 1 1 A 23 23 GLU CB C 23 29.317 29.547 -0.230 1
1 215 . 2 1 1 A 23 23 GLU N N 23 117.420 117.391 0.029 1
1 216 . 2 1 1 A 24 24 SER H H 24 8.209 7.535 0.674 1
1 217 . 2 1 1 A 24 24 SER HA H 24 4.303 4.173 0.130 1
1 220 . 2 1 1 A 24 24 SER C C 24 176.710 177.209 -0.499 1
1 221 . 2 1 1 A 24 24 SER CA C 24 61.852 61.826 0.026 1
1 222 . 2 1 1 A 24 24 SER CB C 24 62.767 63.065 -0.298 1
1 223 . 2 1 1 A 24 24 SER N N 24 114.551 115.888 -1.337 1
1 224 . 2 1 1 A 25 25 SER H H 25 7.396 8.153 -0.757 1
1 225 . 2 1 1 A 25 25 SER HA H 25 4.388 4.282 0.106 1
1 228 . 2 1 1 A 25 25 SER C C 25 177.415 176.880 0.535 1
1 229 . 2 1 1 A 25 25 SER CA C 25 61.428 61.398 0.030 1
1 230 . 2 1 1 A 25 25 SER CB C 25 63.319 62.844 0.475 1
1 231 . 2 1 1 A 25 25 SER N N 25 115.081 115.653 -0.572 1
1 232 . 2 1 1 A 26 26 PHE H H 26 9.019 9.068 -0.049 1
1 233 . 2 1 1 A 26 26 PHE HA H 26 4.201 4.552 -0.351 1
1 241 . 2 1 1 A 26 26 PHE C C 26 176.419 177.149 -0.730 1
1 242 . 2 1 1 A 26 26 PHE CA C 26 62.239 62.416 -0.177 1
1 243 . 2 1 1 A 26 26 PHE CB C 26 39.437 39.595 -0.158 1
1 249 . 2 1 1 A 26 26 PHE N N 26 120.609 123.527 -2.918 1
1 250 . 2 1 1 A 27 27 ALA H H 27 8.045 8.014 0.031 1
1 251 . 2 1 1 A 27 27 ALA HA H 27 4.062 4.026 0.036 1
1 255 . 2 1 1 A 27 27 ALA C C 27 179.478 179.901 -0.423 1
1 256 . 2 1 1 A 27 27 ALA CA C 27 53.940 55.240 -1.300 1
1 257 . 2 1 1 A 27 27 ALA CB C 27 18.395 18.367 0.028 1
1 258 . 2 1 1 A 27 27 ALA N N 27 116.245 121.213 -4.968 1
1 259 . 2 1 1 A 28 28 GLN H H 28 7.416 7.783 -0.367 1
1 260 . 2 1 1 A 28 28 GLN HA H 28 4.198 4.181 0.017 1
1 267 . 2 1 1 A 28 28 GLN C C 28 177.124 176.139 0.985 1
1 268 . 2 1 1 A 28 28 GLN CA C 28 57.586 58.867 -1.281 1
1 269 . 2 1 1 A 28 28 GLN CB C 28 29.250 29.088 0.162 1
1 271 . 2 1 1 A 28 28 GLN N N 28 115.857 116.674 -0.817 1
1 273 . 2 1 1 A 29 29 ASN H H 29 8.006 7.585 0.421 1
1 274 . 2 1 1 A 29 29 ASN HA H 29 4.780 4.995 -0.215 1
1 279 . 2 1 1 A 29 29 ASN C C 29 172.728 174.825 -2.097 1
1 280 . 2 1 1 A 29 29 ASN CA C 29 51.028 50.727 0.301 1
1 281 . 2 1 1 A 29 29 ASN CB C 29 39.656 41.073 -1.417 1
1 282 . 2 1 1 A 29 29 ASN N N 29 114.892 114.282 0.610 1
1 284 . 2 1 1 A 30 30 PRO HA H 30 4.218 4.684 -0.466 1
1 291 . 2 1 1 A 30 30 PRO C C 30 174.525 176.519 -1.994 1
1 292 . 2 1 1 A 30 30 PRO CA C 30 63.827 64.629 -0.802 1
1 293 . 2 1 1 A 30 30 PRO CB C 30 33.212 32.308 0.904 1
1 296 . 2 1 1 A 31 31 LEU H H 31 7.568 7.848 -0.280 1
1 297 . 2 1 1 A 31 31 LEU HA H 31 4.709 4.357 0.352 1
1 307 . 2 1 1 A 31 31 LEU C C 31 172.607 173.909 -1.302 1
1 308 . 2 1 1 A 31 31 LEU CA C 31 51.944 51.716 0.228 1
1 309 . 2 1 1 A 31 31 LEU CB C 31 42.822 42.743 0.079 1
1 313 . 2 1 1 A 31 31 LEU N N 31 120.819 118.111 2.708 1
1 314 . 2 1 1 A 32 32 PRO HA H 32 4.073 4.462 -0.389 1
1 321 . 2 1 1 A 32 32 PRO C C 32 177.293 177.109 0.184 1
1 322 . 2 1 1 A 32 32 PRO CA C 32 62.627 62.731 -0.104 1
1 323 . 2 1 1 A 32 32 PRO CB C 32 31.663 32.004 -0.341 1
1 326 . 2 1 1 A 33 33 LEU H H 33 8.254 8.370 -0.116 1
1 327 . 2 1 1 A 33 33 LEU HA H 33 4.410 4.448 -0.038 1
1 337 . 2 1 1 A 33 33 LEU C C 33 178.312 178.197 0.115 1
1 338 . 2 1 1 A 33 33 LEU CA C 33 53.742 54.273 -0.531 1
1 339 . 2 1 1 A 33 33 LEU CB C 33 42.620 42.715 -0.095 1
1 343 . 2 1 1 A 33 33 LEU N N 33 119.030 122.670 -3.640 1
1 344 . 2 1 1 A 34 34 ASP H H 34 8.532 8.826 -0.294 1
1 345 . 2 1 1 A 34 34 ASP HA H 34 4.187 4.294 -0.107 1
1 348 . 2 1 1 A 34 34 ASP C C 34 177.731 178.763 -1.032 1
1 349 . 2 1 1 A 34 34 ASP CA C 34 58.678 57.730 0.948 1
1 350 . 2 1 1 A 34 34 ASP CB C 34 40.871 40.365 0.506 1
1 351 . 2 1 1 A 34 34 ASP N N 34 120.283 120.903 -0.620 1
1 352 . 2 1 1 A 35 35 GLU H H 35 8.841 8.257 0.584 1
1 353 . 2 1 1 A 35 35 GLU HA H 35 4.135 3.961 0.174 1
1 358 . 2 1 1 A 35 35 GLU C C 35 178.919 178.813 0.106 1
1 359 . 2 1 1 A 35 35 GLU CA C 35 59.801 59.624 0.177 1
1 360 . 2 1 1 A 35 35 GLU CB C 35 28.860 29.356 -0.496 1
1 362 . 2 1 1 A 35 35 GLU N N 35 116.076 119.361 -3.285 1
1 363 . 2 1 1 A 36 36 GLU H H 36 7.242 8.186 -0.944 1
1 364 . 2 1 1 A 36 36 GLU HA H 36 4.762 4.084 0.678 1
1 369 . 2 1 1 A 36 36 GLU C C 36 178.264 179.342 -1.078 1
1 370 . 2 1 1 A 36 36 GLU CA C 36 57.303 59.088 -1.785 1
1 371 . 2 1 1 A 36 36 GLU CB C 36 28.799 29.139 -0.340 1
1 373 . 2 1 1 A 36 36 GLU N N 36 121.997 120.383 1.614 1
1 374 . 2 1 1 A 37 37 LEU H H 37 7.778 8.102 -0.324 1
1 375 . 2 1 1 A 37 37 LEU HA H 37 3.956 4.067 -0.111 1
1 385 . 2 1 1 A 37 37 LEU C C 37 179.381 178.527 0.854 1
1 386 . 2 1 1 A 37 37 LEU CA C 37 58.608 58.016 0.592 1
1 387 . 2 1 1 A 37 37 LEU CB C 37 41.227 40.927 0.300 1
1 391 . 2 1 1 A 37 37 LEU N N 37 120.816 120.352 0.464 1
1 392 . 2 1 1 A 38 38 ASP H H 38 8.446 8.577 -0.131 1
1 393 . 2 1 1 A 38 38 ASP HA H 38 4.455 4.242 0.213 1
1 396 . 2 1 1 A 38 38 ASP C C 38 179.162 178.452 0.710 1
1 397 . 2 1 1 A 38 38 ASP CA C 38 57.550 57.806 -0.256 1
1 398 . 2 1 1 A 38 38 ASP CB C 38 40.313 42.045 -1.732 1
1 399 . 2 1 1 A 38 38 ASP N N 38 118.274 119.625 -1.351 1
1 400 . 2 1 1 A 39 39 ARG H H 39 7.964 7.500 0.464 1
1 401 . 2 1 1 A 39 39 ARG HA H 39 4.066 4.076 -0.010 1
1 409 . 2 1 1 A 39 39 ARG C C 39 179.867 178.794 1.073 1
1 410 . 2 1 1 A 39 39 ARG CA C 39 59.801 59.376 0.425 1
1 411 . 2 1 1 A 39 39 ARG CB C 39 29.849 29.778 0.071 1
1 414 . 2 1 1 A 39 39 ARG N N 39 123.855 119.794 4.061 1
1 416 . 2 1 1 A 40 40 LEU H H 40 8.686 7.861 0.825 1
1 417 . 2 1 1 A 40 40 LEU HA H 40 4.045 3.899 0.146 1
1 427 . 2 1 1 A 40 40 LEU C C 40 180.716 178.736 1.980 1
1 428 . 2 1 1 A 40 40 LEU CA C 40 57.782 57.816 -0.034 1
1 429 . 2 1 1 A 40 40 LEU CB C 40 43.153 41.446 1.707 1
1 433 . 2 1 1 A 40 40 LEU N N 40 118.936 120.149 -1.213 1
1 434 . 2 1 1 A 41 41 ARG H H 41 8.500 8.847 -0.347 1
1 435 . 2 1 1 A 41 41 ARG HA H 41 4.078 3.977 0.101 1
1 442 . 2 1 1 A 41 41 ARG C C 41 178.702 179.001 -0.299 1
1 443 . 2 1 1 A 41 41 ARG CA C 41 60.336 59.836 0.500 1
1 444 . 2 1 1 A 41 41 ARG CB C 41 29.767 29.851 -0.084 1
1 447 . 2 1 1 A 41 41 ARG N N 41 125.386 118.314 7.072 1
1 448 . 2 1 1 A 42 42 SER H H 42 7.762 7.924 -0.162 1
1 449 . 2 1 1 A 42 42 SER HA H 42 4.238 4.175 0.063 1
1 452 . 2 1 1 A 42 42 SER C C 42 176.030 177.060 -1.030 1
1 453 . 2 1 1 A 42 42 SER CA C 42 61.535 61.409 0.126 1
1 454 . 2 1 1 A 42 42 SER CB C 42 62.892 62.765 0.127 1
1 455 . 2 1 1 A 42 42 SER N N 42 114.493 115.303 -0.810 1
1 456 . 2 1 1 A 43 43 GLU H H 43 8.031 7.773 0.258 1
1 457 . 2 1 1 A 43 43 GLU HA H 43 4.220 4.168 0.052 1
1 462 . 2 1 1 A 43 43 GLU C C 43 178.264 178.903 -0.639 1
1 463 . 2 1 1 A 43 43 GLU CA C 43 58.855 58.991 -0.136 1
1 464 . 2 1 1 A 43 43 GLU CB C 43 30.959 30.263 0.696 1
1 466 . 2 1 1 A 43 43 GLU N N 43 118.451 121.757 -3.306 1
1 467 . 2 1 1 A 44 44 THR H H 44 8.387 8.331 0.056 1
1 468 . 2 1 1 A 44 44 THR HA H 44 4.333 4.041 0.292 1
1 473 . 2 1 1 A 44 44 THR C C 44 175.787 174.872 0.915 1
1 474 . 2 1 1 A 44 44 THR CA C 44 63.333 64.452 -1.119 1
1 475 . 2 1 1 A 44 44 THR CB C 44 72.112 69.946 2.166 1
1 477 . 2 1 1 A 44 44 THR N N 44 105.689 111.273 -5.584 1
1 478 . 2 1 1 A 45 45 LYS H H 45 7.962 7.732 0.230 1
1 479 . 2 1 1 A 45 45 LYS HA H 45 4.042 4.169 -0.127 1
1 488 . 2 1 1 A 45 45 LYS C C 45 176.298 174.743 1.555 1
1 489 . 2 1 1 A 45 45 LYS CA C 45 57.934 57.396 0.538 1
1 490 . 2 1 1 A 45 45 LYS CB C 45 29.024 29.277 -0.253 1
1 494 . 2 1 1 A 45 45 LYS N N 45 115.260 116.642 -1.382 1
1 495 . 2 1 1 A 46 46 MET H H 46 7.750 7.537 0.213 1
1 496 . 2 1 1 A 46 46 MET HA H 46 4.498 4.973 -0.475 1
1 504 . 2 1 1 A 46 46 MET C C 46 176.127 175.354 0.773 1
1 505 . 2 1 1 A 46 46 MET CA C 46 55.788 54.028 1.760 1
1 506 . 2 1 1 A 46 46 MET CB C 46 36.233 36.850 -0.617 1
1 509 . 2 1 1 A 46 46 MET N N 46 119.026 116.114 2.912 1
1 510 . 2 1 1 A 47 47 THR H H 47 8.712 8.482 0.230 1
1 511 . 2 1 1 A 47 47 THR HA H 47 4.376 4.755 -0.379 1
1 516 . 2 1 1 A 47 47 THR C C 47 175.812 176.317 -0.505 1
1 517 . 2 1 1 A 47 47 THR CA C 47 61.011 60.135 0.876 1
1 518 . 2 1 1 A 47 47 THR CB C 47 70.885 71.597 -0.712 1
1 520 . 2 1 1 A 47 47 THR N N 47 109.504 111.617 -2.113 1
1 521 . 2 1 1 A 48 48 ARG H H 48 9.074 8.951 0.123 1
1 522 . 2 1 1 A 48 48 ARG HA H 48 3.910 3.981 -0.071 1
1 530 . 2 1 1 A 48 48 ARG C C 48 178.119 178.834 -0.715 1
1 531 . 2 1 1 A 48 48 ARG CA C 48 59.242 60.058 -0.816 1
1 532 . 2 1 1 A 48 48 ARG CB C 48 29.189 29.958 -0.769 1
1 535 . 2 1 1 A 48 48 ARG N N 48 120.559 122.065 -1.506 1
1 537 . 2 1 1 A 49 49 ARG H H 49 8.384 8.109 0.275 1
1 538 . 2 1 1 A 49 49 ARG HA H 49 4.237 4.082 0.155 1
1 545 . 2 1 1 A 49 49 ARG C C 49 179.478 178.680 0.798 1
1 546 . 2 1 1 A 49 49 ARG CA C 49 59.419 59.512 -0.093 1
1 547 . 2 1 1 A 49 49 ARG CB C 49 30.014 29.873 0.141 1
1 550 . 2 1 1 A 49 49 ARG N N 49 117.267 119.590 -2.323 1
1 551 . 2 1 1 A 50 50 GLU H H 50 7.869 7.857 0.012 1
1 552 . 2 1 1 A 50 50 GLU HA H 50 4.073 4.058 0.015 1
1 557 . 2 1 1 A 50 50 GLU C C 50 180.036 179.417 0.619 1
1 558 . 2 1 1 A 50 50 GLU CA C 50 59.419 59.099 0.320 1
1 559 . 2 1 1 A 50 50 GLU CB C 50 30.672 29.396 1.276 1
1 561 . 2 1 1 A 50 50 GLU N N 50 119.568 118.126 1.442 1
1 562 . 2 1 1 A 51 51 ILE H H 51 8.451 8.196 0.255 1
1 563 . 2 1 1 A 51 51 ILE HA H 51 3.795 3.653 0.142 1
1 573 . 2 1 1 A 51 51 ILE C C 51 177.706 177.776 -0.070 1
1 574 . 2 1 1 A 51 51 ILE CA C 51 66.329 65.404 0.925 1
1 575 . 2 1 1 A 51 51 ILE CB C 51 38.715 38.043 0.672 1
1 579 . 2 1 1 A 51 51 ILE N N 51 122.516 121.052 1.464 1
1 580 . 2 1 1 A 52 52 ASP H H 52 9.078 8.950 0.128 1
1 581 . 2 1 1 A 52 52 ASP HA H 52 4.561 4.613 -0.052 1
1 584 . 2 1 1 A 52 52 ASP C C 52 180.085 178.793 1.292 1
1 585 . 2 1 1 A 52 52 ASP CA C 52 58.249 57.649 0.600 1
1 586 . 2 1 1 A 52 52 ASP CB C 52 40.908 40.522 0.386 1
1 587 . 2 1 1 A 52 52 ASP N N 52 121.201 121.118 0.083 1
1 588 . 2 1 1 A 53 53 SER H H 53 8.298 8.224 0.074 1
1 589 . 2 1 1 A 53 53 SER HA H 53 4.362 4.203 0.159 1
1 592 . 2 1 1 A 53 53 SER C C 53 175.934 176.828 -0.894 1
1 593 . 2 1 1 A 53 53 SER CA C 53 61.928 61.397 0.531 1
1 594 . 2 1 1 A 53 53 SER CB C 53 62.974 63.206 -0.232 1
1 595 . 2 1 1 A 53 53 SER N N 53 114.616 113.466 1.150 1
1 596 . 2 1 1 A 54 54 TRP H H 54 8.315 7.845 0.470 1
1 597 . 2 1 1 A 54 54 TRP HA H 54 3.993 4.238 -0.245 1
1 606 . 2 1 1 A 54 54 TRP C C 54 179.453 178.584 0.869 1
1 607 . 2 1 1 A 54 54 TRP CA C 54 63.191 61.122 2.069 1
1 608 . 2 1 1 A 54 54 TRP CB C 54 28.777 29.264 -0.487 1
1 614 . 2 1 1 A 54 54 TRP N N 54 123.444 123.767 -0.323 1
1 616 . 2 1 1 A 55 55 PHE H H 55 9.110 7.952 1.158 1
1 617 . 2 1 1 A 55 55 PHE HA H 55 3.880 4.235 -0.355 1
1 625 . 2 1 1 A 55 55 PHE C C 55 178.119 178.326 -0.207 1
1 626 . 2 1 1 A 55 55 PHE CA C 55 63.563 61.162 2.401 1
1 627 . 2 1 1 A 55 55 PHE CB C 55 39.721 38.660 1.061 1
1 633 . 2 1 1 A 55 55 PHE N N 55 119.065 118.150 0.915 1
1 634 . 2 1 1 A 56 56 SER H H 56 8.330 8.261 0.069 1
1 635 . 2 1 1 A 56 56 SER HA H 56 4.173 4.337 -0.164 1
1 638 . 2 1 1 A 56 56 SER C C 56 177.851 175.791 2.060 1
1 639 . 2 1 1 A 56 56 SER CA C 56 61.958 60.887 1.071 1
1 640 . 2 1 1 A 56 56 SER CB C 56 62.727 63.102 -0.375 1
1 641 . 2 1 1 A 56 56 SER N N 56 113.028 114.095 -1.067 1
1 642 . 2 1 1 A 57 57 GLU H H 57 8.070 8.065 0.005 1
1 643 . 2 1 1 A 57 57 GLU HA H 57 3.922 4.233 -0.311 1
1 648 . 2 1 1 A 57 57 GLU C C 57 178.895 178.436 0.459 1
1 649 . 2 1 1 A 57 57 GLU CA C 57 58.629 57.466 1.163 1
1 650 . 2 1 1 A 57 57 GLU CB C 57 29.107 30.089 -0.982 1
1 652 . 2 1 1 A 57 57 GLU N N 57 119.996 119.815 0.181 1
1 653 . 2 1 1 A 58 58 ARG H H 58 8.048 7.775 0.273 1
1 654 . 2 1 1 A 58 58 ARG HA H 58 3.489 3.639 -0.150 1
1 662 . 2 1 1 A 58 58 ARG C C 58 179.186 177.988 1.198 1
1 663 . 2 1 1 A 58 58 ARG CA C 58 56.770 58.635 -1.865 1
1 664 . 2 1 1 A 58 58 ARG CB C 58 28.145 29.212 -1.067 1
1 667 . 2 1 1 A 58 58 ARG N N 58 122.160 120.925 1.235 1
1 669 . 2 1 1 A 59 59 ARG H H 59 8.093 8.317 -0.224 1
1 670 . 2 1 1 A 59 59 ARG HA H 59 4.212 4.234 -0.022 1
1 677 . 2 1 1 A 59 59 ARG C C 59 178.458 177.903 0.555 1
1 678 . 2 1 1 A 59 59 ARG CA C 59 60.019 59.087 0.932 1
1 679 . 2 1 1 A 59 59 ARG CB C 59 31.689 30.479 1.210 1
1 682 . 2 1 1 A 59 59 ARG N N 59 116.818 117.728 -0.910 1
1 683 . 2 1 1 A 60 60 LYS H H 60 7.418 8.003 -0.585 1
1 684 . 2 1 1 A 60 60 LYS HA H 60 4.154 4.047 0.107 1
1 693 . 2 1 1 A 60 60 LYS C C 60 177.803 178.905 -1.102 1
1 694 . 2 1 1 A 60 60 LYS CA C 60 58.327 59.222 -0.895 1
1 695 . 2 1 1 A 60 60 LYS CB C 60 32.651 31.859 0.792 1
1 699 . 2 1 1 A 60 60 LYS N N 60 117.893 118.041 -0.148 1
1 700 . 2 1 1 A 61 61 LYS H H 61 7.510 7.485 0.025 1
1 701 . 2 1 1 A 61 61 LYS HA H 61 4.177 4.086 0.091 1
1 710 . 2 1 1 A 61 61 LYS C C 61 177.317 178.362 -1.045 1
1 711 . 2 1 1 A 61 61 LYS CA C 61 57.516 58.751 -1.235 1
1 712 . 2 1 1 A 61 61 LYS CB C 61 32.809 32.300 0.509 1
1 716 . 2 1 1 A 61 61 LYS N N 61 119.359 119.414 -0.055 1
1 717 . 2 1 1 A 62 62 VAL H H 62 7.805 7.749 0.056 1
1 718 . 2 1 1 A 62 62 VAL HA H 62 4.013 3.570 0.443 1
1 726 . 2 1 1 A 62 62 VAL C C 62 176.784 178.526 -1.742 1
1 727 . 2 1 1 A 62 62 VAL CA C 62 63.755 66.501 -2.746 1
1 728 . 2 1 1 A 62 62 VAL CB C 62 32.365 31.332 1.033 1
1 731 . 2 1 1 A 62 62 VAL N N 62 119.337 119.960 -0.623 1
1 732 . 2 1 1 A 63 63 ASN H H 63 8.282 8.152 0.130 1
1 733 . 2 1 1 A 63 63 ASN HA H 63 4.700 4.468 0.232 1
1 738 . 2 1 1 A 63 63 ASN C C 63 175.594 175.878 -0.284 1
1 739 . 2 1 1 A 63 63 ASN CA C 63 53.962 55.763 -1.801 1
1 740 . 2 1 1 A 63 63 ASN CB C 63 38.913 38.493 0.420 1
1 741 . 2 1 1 A 63 63 ASN N N 63 120.443 118.680 1.763 1
1 743 . 2 1 1 A 64 64 ALA H H 64 8.225 7.460 0.765 1
1 744 . 2 1 1 A 64 64 ALA HA H 64 4.290 4.395 -0.105 1
1 748 . 2 1 1 A 64 64 ALA C C 64 178.312 175.943 2.369 1
1 749 . 2 1 1 A 64 64 ALA CA C 64 53.319 51.254 2.065 1
1 750 . 2 1 1 A 64 64 ALA CB C 64 19.055 18.045 1.010 1
1 751 . 2 1 1 A 64 64 ALA N N 64 123.747 118.497 5.250 1
1 752 . 2 1 1 A 65 65 GLU H H 65 8.262 7.977 0.285 1
1 753 . 2 1 1 A 65 65 GLU HA H 65 4.233 4.867 -0.634 1
1 758 . 2 1 1 A 65 65 GLU C C 65 177.244 174.505 2.739 1
1 759 . 2 1 1 A 65 65 GLU CA C 65 57.269 54.817 2.452 1
1 760 . 2 1 1 A 65 65 GLU CB C 65 30.114 34.650 -4.536 1
1 762 . 2 1 1 A 65 65 GLU N N 65 118.780 118.995 -0.215 1
1 763 . 2 1 1 A 66 66 GLU H H 66 8.327 8.884 -0.557 1
1 764 . 2 1 1 A 66 66 GLU HA H 66 4.301 5.011 -0.710 1
1 769 . 2 1 1 A 66 66 GLU C C 66 177.244 175.517 1.727 1
1 770 . 2 1 1 A 66 66 GLU CA C 66 57.197 54.577 2.620 1
1 771 . 2 1 1 A 66 66 GLU CB C 66 30.227 33.340 -3.113 1
1 773 . 2 1 1 A 66 66 GLU N N 66 120.955 123.604 -2.649 1
1 774 . 2 1 1 A 67 67 THR H H 67 8.135 8.592 -0.457 1
1 775 . 2 1 1 A 67 67 THR HA H 67 4.280 5.096 -0.816 1
1 780 . 2 1 1 A 67 67 THR C C 67 174.816 174.009 0.807 1
1 781 . 2 1 1 A 67 67 THR CA C 67 62.615 60.832 1.783 1
1 782 . 2 1 1 A 67 67 THR CB C 67 69.648 70.261 -0.613 1
1 784 . 2 1 1 A 67 67 THR N N 67 114.856 114.941 -0.085 1
1 785 . 2 1 1 A 68 68 LYS H H 68 8.202 8.963 -0.761 1
1 786 . 2 1 1 A 68 68 LYS HA H 68 4.327 5.324 -0.997 1
1 795 . 2 1 1 A 68 68 LYS C C 68 176.637 174.904 1.733 1
1 796 . 2 1 1 A 68 68 LYS CA C 68 56.599 53.871 2.728 1
1 797 . 2 1 1 A 68 68 LYS CB C 68 32.898 36.764 -3.866 1
1 801 . 2 1 1 A 68 68 LYS N N 68 123.462 123.464 -0.002 1
1 802 . 2 1 1 A 69 69 LYS H H 69 8.300 8.528 -0.228 1
1 803 . 2 1 1 A 69 69 LYS HA H 69 4.375 4.887 -0.512 1
1 812 . 2 1 1 A 69 69 LYS C C 69 176.661 176.087 0.574 1
1 813 . 2 1 1 A 69 69 LYS CA C 69 56.458 54.190 2.268 1
1 814 . 2 1 1 A 69 69 LYS CB C 69 33.145 36.426 -3.281 1
1 818 . 2 1 1 A 69 69 LYS N N 69 122.321 119.060 3.261 1
1 819 . 2 1 1 A 70 70 SER H H 70 8.330 8.760 -0.430 1
1 820 . 2 1 1 A 70 70 SER HA H 70 4.536 4.412 0.124 1
1 823 . 2 1 1 A 70 70 SER C C 70 174.525 174.632 -0.107 1
1 824 . 2 1 1 A 70 70 SER CA C 70 58.361 59.277 -0.916 1
1 825 . 2 1 1 A 70 70 SER CB C 70 64.022 63.224 0.798 1
1 826 . 2 1 1 A 70 70 SER N N 70 116.687 116.448 0.239 1
1 827 . 2 1 1 A 71 71 GLY H H 71 8.250 8.623 -0.373 1
1 828 . 2 1 1 A 71 71 GLY C C 71 171.782 173.368 -1.586 1
1 829 . 2 1 1 A 71 71 GLY CA C 71 44.717 45.789 -1.072 1
1 830 . 2 1 1 A 71 71 GLY N N 71 110.366 111.325 -0.959 1
1 831 . 2 1 1 A 72 72 PRO HA H 72 4.141 4.538 -0.397 1
1 832 . 2 1 1 A 74 74 SER HA H 74 4.526 4.252 0.274 1
1 835 . 2 1 1 A 74 74 SER C C 74 173.918 174.587 -0.669 1
1 836 . 2 1 1 A 74 74 SER CA C 74 58.528 59.639 -1.111 1
1 837 . 2 1 1 A 74 74 SER CB C 74 63.972 63.232 0.740 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 4.146 4.119 0.027 1
1 2 . 3 1 1 A 7 7 GLY CA C 7 44.691 43.759 0.932 1
1 3 . 3 1 1 A 8 8 PRO HA H 8 4.512 4.313 0.199 1
1 10 . 3 1 1 A 8 8 PRO C C 8 177.365 176.879 0.486 1
1 11 . 3 1 1 A 8 8 PRO CA C 8 63.297 62.644 0.653 1
1 12 . 3 1 1 A 8 8 PRO CB C 8 32.239 32.657 -0.418 1
1 15 . 3 1 1 A 9 9 THR H H 9 8.295 8.668 -0.373 1
1 16 . 3 1 1 A 9 9 THR HA H 9 4.271 3.946 0.325 1
1 21 . 3 1 1 A 9 9 THR C C 9 174.452 174.098 0.354 1
1 22 . 3 1 1 A 9 9 THR CA C 9 62.276 62.734 -0.458 1
1 23 . 3 1 1 A 9 9 THR CB C 9 69.790 66.738 3.052 1
1 25 . 3 1 1 A 9 9 THR N N 9 114.885 114.933 -0.048 1
1 26 . 3 1 1 A 10 10 LYS H H 10 8.284 7.589 0.695 1
1 27 . 3 1 1 A 10 10 LYS HA H 10 4.281 4.104 0.177 1
1 35 . 3 1 1 A 10 10 LYS C C 10 176.103 175.569 0.534 1
1 36 . 3 1 1 A 10 10 LYS CA C 10 56.316 56.072 0.244 1
1 37 . 3 1 1 A 10 10 LYS CB C 10 33.062 32.681 0.381 1
1 41 . 3 1 1 A 10 10 LYS N N 10 123.812 120.030 3.782 1
1 42 . 3 1 1 A 11 11 TYR H H 11 8.198 9.082 -0.884 1
1 43 . 3 1 1 A 11 11 TYR HA H 11 4.569 4.890 -0.321 1
1 50 . 3 1 1 A 11 11 TYR C C 11 175.496 174.573 0.923 1
1 51 . 3 1 1 A 11 11 TYR CA C 11 58.044 56.832 1.212 1
1 52 . 3 1 1 A 11 11 TYR CB C 11 38.842 37.632 1.210 1
1 57 . 3 1 1 A 11 11 TYR N N 11 121.375 119.608 1.767 1
1 58 . 3 1 1 A 12 12 LYS H H 12 8.168 7.638 0.530 1
1 59 . 3 1 1 A 12 12 LYS HA H 12 4.255 4.920 -0.665 1
1 68 . 3 1 1 A 12 12 LYS C C 12 175.861 175.188 0.673 1
1 69 . 3 1 1 A 12 12 LYS CA C 12 56.050 54.527 1.523 1
1 70 . 3 1 1 A 12 12 LYS CB C 12 33.145 36.389 -3.244 1
1 74 . 3 1 1 A 12 12 LYS N N 12 123.375 118.096 5.279 1
1 75 . 3 1 1 A 13 13 GLU H H 13 8.386 8.762 -0.376 1
1 76 . 3 1 1 A 13 13 GLU HA H 13 4.285 4.942 -0.657 1
1 81 . 3 1 1 A 13 13 GLU C C 13 176.419 175.528 0.891 1
1 82 . 3 1 1 A 13 13 GLU CA C 13 56.519 54.330 2.189 1
1 83 . 3 1 1 A 13 13 GLU CB C 13 30.261 34.009 -3.748 1
1 85 . 3 1 1 A 13 13 GLU N N 13 122.385 120.148 2.237 1
1 86 . 3 1 1 A 14 14 ARG H H 14 8.451 8.364 0.087 1
1 87 . 3 1 1 A 14 14 ARG HA H 14 4.424 4.649 -0.225 1
1 94 . 3 1 1 A 14 14 ARG C C 14 175.230 175.927 -0.697 1
1 95 . 3 1 1 A 14 14 ARG CA C 14 55.188 55.720 -0.532 1
1 96 . 3 1 1 A 14 14 ARG CB C 14 31.003 32.142 -1.139 1
1 99 . 3 1 1 A 14 14 ARG N N 14 121.822 121.222 0.600 1
1 100 . 3 1 1 A 15 15 ALA H H 15 8.444 8.545 -0.101 1
1 101 . 3 1 1 A 15 15 ALA HA H 15 4.633 4.764 -0.131 1
1 105 . 3 1 1 A 15 15 ALA C C 15 176.808 177.564 -0.756 1
1 106 . 3 1 1 A 15 15 ALA CA C 15 50.852 50.383 0.469 1
1 107 . 3 1 1 A 15 15 ALA CB C 15 17.938 19.320 -1.382 1
1 108 . 3 1 1 A 15 15 ALA N N 15 125.225 123.125 2.100 1
1 109 . 3 1 1 A 16 16 PRO HA H 16 4.240 4.455 -0.215 1
1 116 . 3 1 1 A 16 16 PRO C C 16 178.993 177.706 1.287 1
1 117 . 3 1 1 A 16 16 PRO CA C 16 65.731 64.538 1.193 1
1 118 . 3 1 1 A 16 16 PRO CB C 16 31.966 31.870 0.096 1
1 121 . 3 1 1 A 17 17 GLU H H 17 9.453 8.511 0.942 1
1 122 . 3 1 1 A 17 17 GLU HA H 17 4.051 4.116 -0.065 1
1 127 . 3 1 1 A 17 17 GLU C C 17 179.550 178.929 0.621 1
1 128 . 3 1 1 A 17 17 GLU CA C 17 59.568 59.380 0.188 1
1 129 . 3 1 1 A 17 17 GLU CB C 17 28.613 30.244 -1.631 1
1 131 . 3 1 1 A 17 17 GLU N N 17 116.527 117.151 -0.624 1
1 132 . 3 1 1 A 18 18 GLN H H 18 7.529 7.958 -0.429 1
1 133 . 3 1 1 A 18 18 GLN HA H 18 4.036 3.956 0.080 1
1 140 . 3 1 1 A 18 18 GLN C C 18 176.977 178.183 -1.206 1
1 141 . 3 1 1 A 18 18 GLN CA C 18 58.785 58.681 0.104 1
1 142 . 3 1 1 A 18 18 GLN CB C 18 28.860 28.305 0.555 1
1 144 . 3 1 1 A 18 18 GLN N N 18 119.048 119.105 -0.057 1
1 146 . 3 1 1 A 19 19 LEU H H 19 7.664 8.088 -0.424 1
1 147 . 3 1 1 A 19 19 LEU HA H 19 3.755 3.670 0.085 1
1 157 . 3 1 1 A 19 19 LEU C C 19 178.410 178.883 -0.473 1
1 158 . 3 1 1 A 19 19 LEU CA C 19 57.516 57.555 -0.039 1
1 159 . 3 1 1 A 19 19 LEU CB C 19 41.276 41.536 -0.260 1
1 163 . 3 1 1 A 19 19 LEU N N 19 117.171 120.307 -3.136 1
1 164 . 3 1 1 A 20 20 ARG H H 20 8.188 8.082 0.106 1
1 165 . 3 1 1 A 20 20 ARG HA H 20 3.998 3.927 0.071 1
1 172 . 3 1 1 A 20 20 ARG C C 20 178.993 178.246 0.747 1
1 173 . 3 1 1 A 20 20 ARG CA C 20 59.333 59.513 -0.180 1
1 174 . 3 1 1 A 20 20 ARG CB C 20 30.096 29.927 0.169 1
1 177 . 3 1 1 A 20 20 ARG N N 20 117.090 118.805 -1.715 1
1 178 . 3 1 1 A 21 21 ALA H H 21 7.176 7.733 -0.557 1
1 179 . 3 1 1 A 21 21 ALA HA H 21 4.092 4.137 -0.045 1
1 183 . 3 1 1 A 21 21 ALA C C 21 180.571 179.912 0.659 1
1 184 . 3 1 1 A 21 21 ALA CA C 21 54.941 54.615 0.326 1
1 185 . 3 1 1 A 21 21 ALA CB C 21 17.858 18.503 -0.645 1
1 186 . 3 1 1 A 21 21 ALA N N 21 121.201 121.473 -0.272 1
1 187 . 3 1 1 A 22 22 LEU H H 22 7.528 8.105 -0.577 1
1 188 . 3 1 1 A 22 22 LEU HA H 22 3.576 3.716 -0.140 1
1 198 . 3 1 1 A 22 22 LEU C C 22 177.779 178.600 -0.821 1
1 199 . 3 1 1 A 22 22 LEU CA C 22 58.185 57.949 0.236 1
1 200 . 3 1 1 A 22 22 LEU CB C 22 38.666 40.746 -2.080 1
1 204 . 3 1 1 A 22 22 LEU N N 22 119.669 118.661 1.008 1
1 205 . 3 1 1 A 23 23 GLU H H 23 8.516 8.451 0.065 1
1 206 . 3 1 1 A 23 23 GLU HA H 23 4.221 4.177 0.044 1
1 211 . 3 1 1 A 23 23 GLU C C 23 180.352 179.078 1.274 1
1 212 . 3 1 1 A 23 23 GLU CA C 23 59.489 60.109 -0.620 1
1 213 . 3 1 1 A 23 23 GLU CB C 23 29.317 29.408 -0.091 1
1 215 . 3 1 1 A 23 23 GLU N N 23 117.420 117.687 -0.267 1
1 216 . 3 1 1 A 24 24 SER H H 24 8.209 8.003 0.206 1
1 217 . 3 1 1 A 24 24 SER HA H 24 4.303 4.158 0.145 1
1 220 . 3 1 1 A 24 24 SER C C 24 176.710 177.373 -0.663 1
1 221 . 3 1 1 A 24 24 SER CA C 24 61.852 61.793 0.059 1
1 222 . 3 1 1 A 24 24 SER CB C 24 62.767 63.128 -0.361 1
1 223 . 3 1 1 A 24 24 SER N N 24 114.551 115.649 -1.098 1
1 224 . 3 1 1 A 25 25 SER H H 25 7.396 7.929 -0.533 1
1 225 . 3 1 1 A 25 25 SER HA H 25 4.388 4.296 0.092 1
1 228 . 3 1 1 A 25 25 SER C C 25 177.415 177.038 0.377 1
1 229 . 3 1 1 A 25 25 SER CA C 25 61.428 61.614 -0.186 1
1 230 . 3 1 1 A 25 25 SER CB C 25 63.319 62.991 0.328 1
1 231 . 3 1 1 A 25 25 SER N N 25 115.081 115.663 -0.582 1
1 232 . 3 1 1 A 26 26 PHE H H 26 9.019 9.038 -0.019 1
1 233 . 3 1 1 A 26 26 PHE HA H 26 4.201 4.563 -0.362 1
1 241 . 3 1 1 A 26 26 PHE C C 26 176.419 176.925 -0.506 1
1 242 . 3 1 1 A 26 26 PHE CA C 26 62.239 62.474 -0.235 1
1 243 . 3 1 1 A 26 26 PHE CB C 26 39.437 39.393 0.044 1
1 249 . 3 1 1 A 26 26 PHE N N 26 120.609 123.632 -3.023 1
1 250 . 3 1 1 A 27 27 ALA H H 27 8.045 8.018 0.027 1
1 251 . 3 1 1 A 27 27 ALA HA H 27 4.062 4.019 0.043 1
1 255 . 3 1 1 A 27 27 ALA C C 27 179.478 179.749 -0.271 1
1 256 . 3 1 1 A 27 27 ALA CA C 27 53.940 55.157 -1.217 1
1 257 . 3 1 1 A 27 27 ALA CB C 27 18.395 18.507 -0.112 1
1 258 . 3 1 1 A 27 27 ALA N N 27 116.245 121.098 -4.853 1
1 259 . 3 1 1 A 28 28 GLN H H 28 7.416 7.756 -0.340 1
1 260 . 3 1 1 A 28 28 GLN HA H 28 4.198 4.226 -0.028 1
1 267 . 3 1 1 A 28 28 GLN C C 28 177.124 176.166 0.958 1
1 268 . 3 1 1 A 28 28 GLN CA C 28 57.586 58.286 -0.700 1
1 269 . 3 1 1 A 28 28 GLN CB C 28 29.250 29.368 -0.118 1
1 271 . 3 1 1 A 28 28 GLN N N 28 115.857 115.869 -0.012 1
1 273 . 3 1 1 A 29 29 ASN H H 29 8.006 7.675 0.331 1
1 274 . 3 1 1 A 29 29 ASN HA H 29 4.780 5.024 -0.244 1
1 279 . 3 1 1 A 29 29 ASN C C 29 172.728 174.879 -2.151 1
1 280 . 3 1 1 A 29 29 ASN CA C 29 51.028 50.754 0.274 1
1 281 . 3 1 1 A 29 29 ASN CB C 29 39.656 40.962 -1.306 1
1 282 . 3 1 1 A 29 29 ASN N N 29 114.892 114.854 0.038 1
1 284 . 3 1 1 A 30 30 PRO HA H 30 4.218 4.845 -0.627 1
1 291 . 3 1 1 A 30 30 PRO C C 30 174.525 176.681 -2.156 1
1 292 . 3 1 1 A 30 30 PRO CA C 30 63.827 64.883 -1.056 1
1 293 . 3 1 1 A 30 30 PRO CB C 30 33.212 32.261 0.951 1
1 296 . 3 1 1 A 31 31 LEU H H 31 7.568 7.952 -0.384 1
1 297 . 3 1 1 A 31 31 LEU HA H 31 4.709 4.509 0.200 1
1 307 . 3 1 1 A 31 31 LEU C C 31 172.607 173.762 -1.155 1
1 308 . 3 1 1 A 31 31 LEU CA C 31 51.944 51.843 0.101 1
1 309 . 3 1 1 A 31 31 LEU CB C 31 42.822 42.777 0.045 1
1 313 . 3 1 1 A 31 31 LEU N N 31 120.819 118.195 2.624 1
1 314 . 3 1 1 A 32 32 PRO HA H 32 4.073 4.512 -0.439 1
1 321 . 3 1 1 A 32 32 PRO C C 32 177.293 177.042 0.251 1
1 322 . 3 1 1 A 32 32 PRO CA C 32 62.627 62.505 0.122 1
1 323 . 3 1 1 A 32 32 PRO CB C 32 31.663 31.895 -0.232 1
1 326 . 3 1 1 A 33 33 LEU H H 33 8.254 8.412 -0.158 1
1 327 . 3 1 1 A 33 33 LEU HA H 33 4.410 4.612 -0.202 1
1 337 . 3 1 1 A 33 33 LEU C C 33 178.312 178.100 0.212 1
1 338 . 3 1 1 A 33 33 LEU CA C 33 53.742 53.891 -0.149 1
1 339 . 3 1 1 A 33 33 LEU CB C 33 42.620 42.456 0.164 1
1 343 . 3 1 1 A 33 33 LEU N N 33 119.030 121.725 -2.695 1
1 344 . 3 1 1 A 34 34 ASP H H 34 8.532 8.810 -0.278 1
1 345 . 3 1 1 A 34 34 ASP HA H 34 4.187 4.296 -0.109 1
1 348 . 3 1 1 A 34 34 ASP C C 34 177.731 178.584 -0.853 1
1 349 . 3 1 1 A 34 34 ASP CA C 34 58.678 57.609 1.069 1
1 350 . 3 1 1 A 34 34 ASP CB C 34 40.871 40.329 0.542 1
1 351 . 3 1 1 A 34 34 ASP N N 34 120.283 120.837 -0.554 1
1 352 . 3 1 1 A 35 35 GLU H H 35 8.841 8.452 0.389 1
1 353 . 3 1 1 A 35 35 GLU HA H 35 4.135 4.034 0.101 1
1 358 . 3 1 1 A 35 35 GLU C C 35 178.919 178.770 0.149 1
1 359 . 3 1 1 A 35 35 GLU CA C 35 59.801 59.499 0.302 1
1 360 . 3 1 1 A 35 35 GLU CB C 35 28.860 29.232 -0.372 1
1 362 . 3 1 1 A 35 35 GLU N N 35 116.076 118.484 -2.408 1
1 363 . 3 1 1 A 36 36 GLU H H 36 7.242 8.015 -0.773 1
1 364 . 3 1 1 A 36 36 GLU HA H 36 4.762 4.118 0.644 1
1 369 . 3 1 1 A 36 36 GLU C C 36 178.264 178.871 -0.607 1
1 370 . 3 1 1 A 36 36 GLU CA C 36 57.303 58.879 -1.576 1
1 371 . 3 1 1 A 36 36 GLU CB C 36 28.799 29.155 -0.356 1
1 373 . 3 1 1 A 36 36 GLU N N 36 121.997 119.908 2.089 1
1 374 . 3 1 1 A 37 37 LEU H H 37 7.778 7.669 0.109 1
1 375 . 3 1 1 A 37 37 LEU HA H 37 3.956 4.214 -0.258 1
1 385 . 3 1 1 A 37 37 LEU C C 37 179.381 178.525 0.856 1
1 386 . 3 1 1 A 37 37 LEU CA C 37 58.608 56.768 1.840 1
1 387 . 3 1 1 A 37 37 LEU CB C 37 41.227 41.781 -0.554 1
1 391 . 3 1 1 A 37 37 LEU N N 37 120.816 119.738 1.078 1
1 392 . 3 1 1 A 38 38 ASP H H 38 8.446 8.584 -0.138 1
1 393 . 3 1 1 A 38 38 ASP HA H 38 4.455 4.362 0.093 1
1 396 . 3 1 1 A 38 38 ASP C C 38 179.162 178.415 0.747 1
1 397 . 3 1 1 A 38 38 ASP CA C 38 57.550 57.413 0.137 1
1 398 . 3 1 1 A 38 38 ASP CB C 38 40.313 42.098 -1.785 1
1 399 . 3 1 1 A 38 38 ASP N N 38 118.274 119.732 -1.458 1
1 400 . 3 1 1 A 39 39 ARG H H 39 7.964 7.947 0.017 1
1 401 . 3 1 1 A 39 39 ARG HA H 39 4.066 4.076 -0.010 1
1 409 . 3 1 1 A 39 39 ARG C C 39 179.867 178.590 1.277 1
1 410 . 3 1 1 A 39 39 ARG CA C 39 59.801 59.369 0.432 1
1 411 . 3 1 1 A 39 39 ARG CB C 39 29.849 30.471 -0.622 1
1 414 . 3 1 1 A 39 39 ARG N N 39 123.855 119.182 4.673 1
1 416 . 3 1 1 A 40 40 LEU H H 40 8.686 7.898 0.788 1
1 417 . 3 1 1 A 40 40 LEU HA H 40 4.045 3.945 0.100 1
1 427 . 3 1 1 A 40 40 LEU C C 40 180.716 179.170 1.546 1
1 428 . 3 1 1 A 40 40 LEU CA C 40 57.782 58.097 -0.315 1
1 429 . 3 1 1 A 40 40 LEU CB C 40 43.153 41.644 1.509 1
1 433 . 3 1 1 A 40 40 LEU N N 40 118.936 119.895 -0.959 1
1 434 . 3 1 1 A 41 41 ARG H H 41 8.500 8.764 -0.264 1
1 435 . 3 1 1 A 41 41 ARG HA H 41 4.078 4.215 -0.137 1
1 442 . 3 1 1 A 41 41 ARG C C 41 178.702 179.091 -0.389 1
1 443 . 3 1 1 A 41 41 ARG CA C 41 60.336 59.536 0.800 1
1 444 . 3 1 1 A 41 41 ARG CB C 41 29.767 29.762 0.005 1
1 447 . 3 1 1 A 41 41 ARG N N 41 125.386 119.055 6.331 1
1 448 . 3 1 1 A 42 42 SER H H 42 7.762 8.075 -0.313 1
1 449 . 3 1 1 A 42 42 SER HA H 42 4.238 4.150 0.088 1
1 452 . 3 1 1 A 42 42 SER C C 42 176.030 176.467 -0.437 1
1 453 . 3 1 1 A 42 42 SER CA C 42 61.535 61.743 -0.208 1
1 454 . 3 1 1 A 42 42 SER CB C 42 62.892 63.140 -0.248 1
1 455 . 3 1 1 A 42 42 SER N N 42 114.493 117.381 -2.888 1
1 456 . 3 1 1 A 43 43 GLU H H 43 8.031 7.789 0.242 1
1 457 . 3 1 1 A 43 43 GLU HA H 43 4.220 4.165 0.055 1
1 462 . 3 1 1 A 43 43 GLU C C 43 178.264 178.947 -0.683 1
1 463 . 3 1 1 A 43 43 GLU CA C 43 58.855 59.024 -0.169 1
1 464 . 3 1 1 A 43 43 GLU CB C 43 30.959 30.333 0.626 1
1 466 . 3 1 1 A 43 43 GLU N N 43 118.451 121.678 -3.227 1
1 467 . 3 1 1 A 44 44 THR H H 44 8.387 8.409 -0.022 1
1 468 . 3 1 1 A 44 44 THR HA H 44 4.333 4.132 0.201 1
1 473 . 3 1 1 A 44 44 THR C C 44 175.787 174.989 0.798 1
1 474 . 3 1 1 A 44 44 THR CA C 44 63.333 63.775 -0.442 1
1 475 . 3 1 1 A 44 44 THR CB C 44 72.112 70.036 2.076 1
1 477 . 3 1 1 A 44 44 THR N N 44 105.689 111.385 -5.696 1
1 478 . 3 1 1 A 45 45 LYS H H 45 7.962 7.814 0.148 1
1 479 . 3 1 1 A 45 45 LYS HA H 45 4.042 4.149 -0.107 1
1 488 . 3 1 1 A 45 45 LYS C C 45 176.298 174.825 1.473 1
1 489 . 3 1 1 A 45 45 LYS CA C 45 57.934 57.433 0.501 1
1 490 . 3 1 1 A 45 45 LYS CB C 45 29.024 29.031 -0.007 1
1 494 . 3 1 1 A 45 45 LYS N N 45 115.260 116.598 -1.338 1
1 495 . 3 1 1 A 46 46 MET H H 46 7.750 7.606 0.144 1
1 496 . 3 1 1 A 46 46 MET HA H 46 4.498 4.972 -0.474 1
1 504 . 3 1 1 A 46 46 MET C C 46 176.127 175.356 0.771 1
1 505 . 3 1 1 A 46 46 MET CA C 46 55.788 54.210 1.578 1
1 506 . 3 1 1 A 46 46 MET CB C 46 36.233 36.649 -0.416 1
1 509 . 3 1 1 A 46 46 MET N N 46 119.026 116.304 2.722 1
1 510 . 3 1 1 A 47 47 THR H H 47 8.712 8.480 0.232 1
1 511 . 3 1 1 A 47 47 THR HA H 47 4.376 4.828 -0.452 1
1 516 . 3 1 1 A 47 47 THR C C 47 175.812 176.444 -0.632 1
1 517 . 3 1 1 A 47 47 THR CA C 47 61.011 59.920 1.091 1
1 518 . 3 1 1 A 47 47 THR CB C 47 70.885 71.815 -0.930 1
1 520 . 3 1 1 A 47 47 THR N N 47 109.504 111.243 -1.739 1
1 521 . 3 1 1 A 48 48 ARG H H 48 9.074 8.931 0.143 1
1 522 . 3 1 1 A 48 48 ARG HA H 48 3.910 3.989 -0.079 1
1 530 . 3 1 1 A 48 48 ARG C C 48 178.119 178.088 0.031 1
1 531 . 3 1 1 A 48 48 ARG CA C 48 59.242 60.173 -0.931 1
1 532 . 3 1 1 A 48 48 ARG CB C 48 29.189 29.957 -0.768 1
1 535 . 3 1 1 A 48 48 ARG N N 48 120.559 122.005 -1.446 1
1 537 . 3 1 1 A 49 49 ARG H H 49 8.384 8.286 0.098 1
1 538 . 3 1 1 A 49 49 ARG HA H 49 4.237 4.081 0.156 1
1 545 . 3 1 1 A 49 49 ARG C C 49 179.478 178.739 0.739 1
1 546 . 3 1 1 A 49 49 ARG CA C 49 59.419 59.101 0.318 1
1 547 . 3 1 1 A 49 49 ARG CB C 49 30.014 30.070 -0.056 1
1 550 . 3 1 1 A 49 49 ARG N N 49 117.267 118.483 -1.216 1
1 551 . 3 1 1 A 50 50 GLU H H 50 7.869 8.109 -0.240 1
1 552 . 3 1 1 A 50 50 GLU HA H 50 4.073 4.120 -0.047 1
1 557 . 3 1 1 A 50 50 GLU C C 50 180.036 179.386 0.650 1
1 558 . 3 1 1 A 50 50 GLU CA C 50 59.419 58.892 0.527 1
1 559 . 3 1 1 A 50 50 GLU CB C 50 30.672 29.538 1.134 1
1 561 . 3 1 1 A 50 50 GLU N N 50 119.568 118.636 0.932 1
1 562 . 3 1 1 A 51 51 ILE H H 51 8.451 8.433 0.018 1
1 563 . 3 1 1 A 51 51 ILE HA H 51 3.795 3.669 0.126 1
1 573 . 3 1 1 A 51 51 ILE C C 51 177.706 178.022 -0.316 1
1 574 . 3 1 1 A 51 51 ILE CA C 51 66.329 65.599 0.730 1
1 575 . 3 1 1 A 51 51 ILE CB C 51 38.715 38.242 0.473 1
1 579 . 3 1 1 A 51 51 ILE N N 51 122.516 121.145 1.371 1
1 580 . 3 1 1 A 52 52 ASP H H 52 9.078 8.653 0.425 1
1 581 . 3 1 1 A 52 52 ASP HA H 52 4.561 4.532 0.029 1
1 584 . 3 1 1 A 52 52 ASP C C 52 180.085 179.043 1.042 1
1 585 . 3 1 1 A 52 52 ASP CA C 52 58.249 57.663 0.586 1
1 586 . 3 1 1 A 52 52 ASP CB C 52 40.908 41.078 -0.170 1
1 587 . 3 1 1 A 52 52 ASP N N 52 121.201 121.137 0.064 1
1 588 . 3 1 1 A 53 53 SER H H 53 8.298 8.001 0.297 1
1 589 . 3 1 1 A 53 53 SER HA H 53 4.362 4.238 0.124 1
1 592 . 3 1 1 A 53 53 SER C C 53 175.934 176.050 -0.116 1
1 593 . 3 1 1 A 53 53 SER CA C 53 61.928 62.557 -0.629 1
1 594 . 3 1 1 A 53 53 SER CB C 53 62.974 62.959 0.015 1
1 595 . 3 1 1 A 53 53 SER N N 53 114.616 115.512 -0.896 1
1 596 . 3 1 1 A 54 54 TRP H H 54 8.315 7.886 0.429 1
1 597 . 3 1 1 A 54 54 TRP HA H 54 3.993 4.189 -0.196 1
1 606 . 3 1 1 A 54 54 TRP C C 54 179.453 178.020 1.433 1
1 607 . 3 1 1 A 54 54 TRP CA C 54 63.191 61.188 2.003 1
1 608 . 3 1 1 A 54 54 TRP CB C 54 28.777 29.706 -0.929 1
1 614 . 3 1 1 A 54 54 TRP N N 54 123.444 123.738 -0.294 1
1 616 . 3 1 1 A 55 55 PHE H H 55 9.110 8.175 0.935 1
1 617 . 3 1 1 A 55 55 PHE HA H 55 3.880 4.006 -0.126 1
1 625 . 3 1 1 A 55 55 PHE C C 55 178.119 178.049 0.070 1
1 626 . 3 1 1 A 55 55 PHE CA C 55 63.563 61.151 2.412 1
1 627 . 3 1 1 A 55 55 PHE CB C 55 39.721 39.124 0.597 1
1 633 . 3 1 1 A 55 55 PHE N N 55 119.065 118.206 0.859 1
1 634 . 3 1 1 A 56 56 SER H H 56 8.330 8.257 0.073 1
1 635 . 3 1 1 A 56 56 SER HA H 56 4.173 4.170 0.003 1
1 638 . 3 1 1 A 56 56 SER C C 56 177.851 175.744 2.107 1
1 639 . 3 1 1 A 56 56 SER CA C 56 61.958 61.273 0.685 1
1 640 . 3 1 1 A 56 56 SER CB C 56 62.727 62.910 -0.183 1
1 641 . 3 1 1 A 56 56 SER N N 56 113.028 114.536 -1.508 1
1 642 . 3 1 1 A 57 57 GLU H H 57 8.070 7.710 0.360 1
1 643 . 3 1 1 A 57 57 GLU HA H 57 3.922 4.188 -0.266 1
1 648 . 3 1 1 A 57 57 GLU C C 57 178.895 178.380 0.515 1
1 649 . 3 1 1 A 57 57 GLU CA C 57 58.629 57.410 1.219 1
1 650 . 3 1 1 A 57 57 GLU CB C 57 29.107 29.906 -0.799 1
1 652 . 3 1 1 A 57 57 GLU N N 57 119.996 119.086 0.910 1
1 653 . 3 1 1 A 58 58 ARG H H 58 8.048 7.770 0.278 1
1 654 . 3 1 1 A 58 58 ARG HA H 58 3.489 3.626 -0.137 1
1 662 . 3 1 1 A 58 58 ARG C C 58 179.186 177.819 1.367 1
1 663 . 3 1 1 A 58 58 ARG CA C 58 56.770 58.491 -1.721 1
1 664 . 3 1 1 A 58 58 ARG CB C 58 28.145 29.197 -1.052 1
1 667 . 3 1 1 A 58 58 ARG N N 58 122.160 120.809 1.351 1
1 669 . 3 1 1 A 59 59 ARG H H 59 8.093 8.110 -0.017 1
1 670 . 3 1 1 A 59 59 ARG HA H 59 4.212 4.060 0.152 1
1 677 . 3 1 1 A 59 59 ARG C C 59 178.458 177.884 0.574 1
1 678 . 3 1 1 A 59 59 ARG CA C 59 60.019 58.980 1.039 1
1 679 . 3 1 1 A 59 59 ARG CB C 59 31.689 30.282 1.407 1
1 682 . 3 1 1 A 59 59 ARG N N 59 116.818 117.567 -0.749 1
1 683 . 3 1 1 A 60 60 LYS H H 60 7.418 8.011 -0.593 1
1 684 . 3 1 1 A 60 60 LYS HA H 60 4.154 4.038 0.116 1
1 693 . 3 1 1 A 60 60 LYS C C 60 177.803 178.777 -0.974 1
1 694 . 3 1 1 A 60 60 LYS CA C 60 58.327 58.959 -0.632 1
1 695 . 3 1 1 A 60 60 LYS CB C 60 32.651 31.773 0.878 1
1 699 . 3 1 1 A 60 60 LYS N N 60 117.893 117.985 -0.092 1
1 700 . 3 1 1 A 61 61 LYS H H 61 7.510 7.877 -0.367 1
1 701 . 3 1 1 A 61 61 LYS HA H 61 4.177 4.121 0.056 1
1 710 . 3 1 1 A 61 61 LYS C C 61 177.317 178.948 -1.631 1
1 711 . 3 1 1 A 61 61 LYS CA C 61 57.516 58.923 -1.407 1
1 712 . 3 1 1 A 61 61 LYS CB C 61 32.809 32.083 0.726 1
1 716 . 3 1 1 A 61 61 LYS N N 61 119.359 119.661 -0.302 1
1 717 . 3 1 1 A 62 62 VAL H H 62 7.805 7.534 0.271 1
1 718 . 3 1 1 A 62 62 VAL HA H 62 4.013 3.558 0.455 1
1 726 . 3 1 1 A 62 62 VAL C C 62 176.784 178.137 -1.353 1
1 727 . 3 1 1 A 62 62 VAL CA C 62 63.755 66.596 -2.841 1
1 728 . 3 1 1 A 62 62 VAL CB C 62 32.365 31.585 0.780 1
1 731 . 3 1 1 A 62 62 VAL N N 62 119.337 120.054 -0.717 1
1 732 . 3 1 1 A 63 63 ASN H H 63 8.282 8.137 0.145 1
1 733 . 3 1 1 A 63 63 ASN HA H 63 4.700 4.485 0.215 1
1 738 . 3 1 1 A 63 63 ASN C C 63 175.594 175.672 -0.078 1
1 739 . 3 1 1 A 63 63 ASN CA C 63 53.962 56.451 -2.489 1
1 740 . 3 1 1 A 63 63 ASN CB C 63 38.913 38.932 -0.019 1
1 741 . 3 1 1 A 63 63 ASN N N 63 120.443 118.388 2.055 1
1 743 . 3 1 1 A 64 64 ALA H H 64 8.225 7.459 0.766 1
1 744 . 3 1 1 A 64 64 ALA HA H 64 4.290 4.433 -0.143 1
1 748 . 3 1 1 A 64 64 ALA C C 64 178.312 176.109 2.203 1
1 749 . 3 1 1 A 64 64 ALA CA C 64 53.319 51.174 2.145 1
1 750 . 3 1 1 A 64 64 ALA CB C 64 19.055 18.152 0.903 1
1 751 . 3 1 1 A 64 64 ALA N N 64 123.747 119.363 4.384 1
1 752 . 3 1 1 A 65 65 GLU H H 65 8.262 8.815 -0.553 1
1 753 . 3 1 1 A 65 65 GLU HA H 65 4.233 4.705 -0.472 1
1 758 . 3 1 1 A 65 65 GLU C C 65 177.244 176.282 0.962 1
1 759 . 3 1 1 A 65 65 GLU CA C 65 57.269 55.430 1.839 1
1 760 . 3 1 1 A 65 65 GLU CB C 65 30.114 33.124 -3.010 1
1 762 . 3 1 1 A 65 65 GLU N N 65 118.780 122.967 -4.187 1
1 763 . 3 1 1 A 66 66 GLU H H 66 8.327 8.831 -0.504 1
1 764 . 3 1 1 A 66 66 GLU HA H 66 4.301 4.055 0.246 1
1 769 . 3 1 1 A 66 66 GLU C C 66 177.244 175.927 1.317 1
1 770 . 3 1 1 A 66 66 GLU CA C 66 57.197 57.246 -0.049 1
1 771 . 3 1 1 A 66 66 GLU CB C 66 30.227 27.486 2.741 1
1 773 . 3 1 1 A 66 66 GLU N N 66 120.955 124.902 -3.947 1
1 774 . 3 1 1 A 67 67 THR H H 67 8.135 7.772 0.363 1
1 775 . 3 1 1 A 67 67 THR HA H 67 4.280 4.184 0.096 1
1 780 . 3 1 1 A 67 67 THR C C 67 174.816 175.817 -1.001 1
1 781 . 3 1 1 A 67 67 THR CA C 67 62.615 64.027 -1.412 1
1 782 . 3 1 1 A 67 67 THR CB C 67 69.648 68.947 0.701 1
1 784 . 3 1 1 A 67 67 THR N N 67 114.856 115.022 -0.166 1
1 785 . 3 1 1 A 68 68 LYS H H 68 8.202 8.979 -0.777 1
1 786 . 3 1 1 A 68 68 LYS HA H 68 4.327 3.910 0.417 1
1 795 . 3 1 1 A 68 68 LYS C C 68 176.637 176.510 0.127 1
1 796 . 3 1 1 A 68 68 LYS CA C 68 56.599 60.233 -3.634 1
1 797 . 3 1 1 A 68 68 LYS CB C 68 32.898 32.615 0.283 1
1 801 . 3 1 1 A 68 68 LYS N N 68 123.462 125.897 -2.435 1
1 802 . 3 1 1 A 69 69 LYS H H 69 8.300 8.030 0.270 1
1 803 . 3 1 1 A 69 69 LYS HA H 69 4.375 4.418 -0.043 1
1 812 . 3 1 1 A 69 69 LYS C C 69 176.661 175.763 0.898 1
1 813 . 3 1 1 A 69 69 LYS CA C 69 56.458 55.534 0.924 1
1 814 . 3 1 1 A 69 69 LYS CB C 69 33.145 32.360 0.785 1
1 818 . 3 1 1 A 69 69 LYS N N 69 122.321 118.898 3.423 1
1 819 . 3 1 1 A 70 70 SER H H 70 8.330 8.634 -0.304 1
1 820 . 3 1 1 A 70 70 SER HA H 70 4.536 4.979 -0.443 1
1 823 . 3 1 1 A 70 70 SER C C 70 174.525 174.586 -0.061 1
1 824 . 3 1 1 A 70 70 SER CA C 70 58.361 57.321 1.040 1
1 825 . 3 1 1 A 70 70 SER CB C 70 64.022 64.103 -0.081 1
1 826 . 3 1 1 A 70 70 SER N N 70 116.687 120.205 -3.518 1
1 827 . 3 1 1 A 71 71 GLY H H 71 8.250 8.894 -0.644 1
1 828 . 3 1 1 A 71 71 GLY C C 71 171.782 172.796 -1.014 1
1 829 . 3 1 1 A 71 71 GLY CA C 71 44.717 45.937 -1.220 1
1 830 . 3 1 1 A 71 71 GLY N N 71 110.366 109.729 0.637 1
1 831 . 3 1 1 A 72 72 PRO HA H 72 4.141 4.616 -0.475 1
1 832 . 3 1 1 A 74 74 SER HA H 74 4.526 4.123 0.403 1
1 835 . 3 1 1 A 74 74 SER C C 74 173.918 175.310 -1.392 1
1 836 . 3 1 1 A 74 74 SER CA C 74 58.528 60.479 -1.951 1
1 837 . 3 1 1 A 74 74 SER CB C 74 63.972 62.586 1.386 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 4.146 3.984 0.162 1
1 2 . 4 1 1 A 7 7 GLY CA C 7 44.691 44.479 0.212 1
1 3 . 4 1 1 A 8 8 PRO HA H 8 4.512 4.513 -0.001 1
1 10 . 4 1 1 A 8 8 PRO C C 8 177.365 177.725 -0.360 1
1 11 . 4 1 1 A 8 8 PRO CA C 8 63.297 63.414 -0.117 1
1 12 . 4 1 1 A 8 8 PRO CB C 8 32.239 31.967 0.272 1
1 15 . 4 1 1 A 9 9 THR H H 9 8.295 7.935 0.360 1
1 16 . 4 1 1 A 9 9 THR HA H 9 4.271 4.071 0.200 1
1 21 . 4 1 1 A 9 9 THR C C 9 174.452 174.204 0.248 1
1 22 . 4 1 1 A 9 9 THR CA C 9 62.276 63.292 -1.016 1
1 23 . 4 1 1 A 9 9 THR CB C 9 69.790 67.320 2.470 1
1 25 . 4 1 1 A 9 9 THR N N 9 114.885 113.548 1.337 1
1 26 . 4 1 1 A 10 10 LYS H H 10 8.284 7.544 0.740 1
1 27 . 4 1 1 A 10 10 LYS HA H 10 4.281 4.750 -0.469 1
1 35 . 4 1 1 A 10 10 LYS C C 10 176.103 174.807 1.296 1
1 36 . 4 1 1 A 10 10 LYS CA C 10 56.316 55.383 0.933 1
1 37 . 4 1 1 A 10 10 LYS CB C 10 33.062 33.626 -0.564 1
1 41 . 4 1 1 A 10 10 LYS N N 10 123.812 122.172 1.640 1
1 42 . 4 1 1 A 11 11 TYR H H 11 8.198 8.996 -0.798 1
1 43 . 4 1 1 A 11 11 TYR HA H 11 4.569 5.024 -0.455 1
1 50 . 4 1 1 A 11 11 TYR C C 11 175.496 174.483 1.013 1
1 51 . 4 1 1 A 11 11 TYR CA C 11 58.044 56.677 1.367 1
1 52 . 4 1 1 A 11 11 TYR CB C 11 38.842 43.139 -4.297 1
1 57 . 4 1 1 A 11 11 TYR N N 11 121.375 123.857 -2.482 1
1 58 . 4 1 1 A 12 12 LYS H H 12 8.168 8.458 -0.290 1
1 59 . 4 1 1 A 12 12 LYS HA H 12 4.255 4.533 -0.278 1
1 68 . 4 1 1 A 12 12 LYS C C 12 175.861 176.924 -1.063 1
1 69 . 4 1 1 A 12 12 LYS CA C 12 56.050 55.324 0.726 1
1 70 . 4 1 1 A 12 12 LYS CB C 12 33.145 33.609 -0.464 1
1 74 . 4 1 1 A 12 12 LYS N N 12 123.375 121.774 1.601 1
1 75 . 4 1 1 A 13 13 GLU H H 13 8.386 8.466 -0.080 1
1 76 . 4 1 1 A 13 13 GLU HA H 13 4.285 4.381 -0.096 1
1 81 . 4 1 1 A 13 13 GLU C C 13 176.419 176.362 0.057 1
1 82 . 4 1 1 A 13 13 GLU CA C 13 56.519 56.003 0.516 1
1 83 . 4 1 1 A 13 13 GLU CB C 13 30.261 30.698 -0.437 1
1 85 . 4 1 1 A 13 13 GLU N N 13 122.385 120.952 1.433 1
1 86 . 4 1 1 A 14 14 ARG H H 14 8.451 8.587 -0.136 1
1 87 . 4 1 1 A 14 14 ARG HA H 14 4.424 4.522 -0.098 1
1 94 . 4 1 1 A 14 14 ARG C C 14 175.230 175.658 -0.428 1
1 95 . 4 1 1 A 14 14 ARG CA C 14 55.188 56.045 -0.857 1
1 96 . 4 1 1 A 14 14 ARG CB C 14 31.003 31.462 -0.459 1
1 99 . 4 1 1 A 14 14 ARG N N 14 121.822 121.872 -0.050 1
1 100 . 4 1 1 A 15 15 ALA H H 15 8.444 8.543 -0.099 1
1 101 . 4 1 1 A 15 15 ALA HA H 15 4.633 4.817 -0.184 1
1 105 . 4 1 1 A 15 15 ALA C C 15 176.808 177.515 -0.707 1
1 106 . 4 1 1 A 15 15 ALA CA C 15 50.852 50.296 0.556 1
1 107 . 4 1 1 A 15 15 ALA CB C 15 17.938 19.785 -1.847 1
1 108 . 4 1 1 A 15 15 ALA N N 15 125.225 122.566 2.659 1
1 109 . 4 1 1 A 16 16 PRO HA H 16 4.240 4.376 -0.136 1
1 116 . 4 1 1 A 16 16 PRO C C 16 178.993 178.687 0.306 1
1 117 . 4 1 1 A 16 16 PRO CA C 16 65.731 64.828 0.903 1
1 118 . 4 1 1 A 16 16 PRO CB C 16 31.966 32.142 -0.176 1
1 121 . 4 1 1 A 17 17 GLU H H 17 9.453 8.412 1.041 1
1 122 . 4 1 1 A 17 17 GLU HA H 17 4.051 4.051 0.000 1
1 127 . 4 1 1 A 17 17 GLU C C 17 179.550 179.742 -0.192 1
1 128 . 4 1 1 A 17 17 GLU CA C 17 59.568 59.901 -0.333 1
1 129 . 4 1 1 A 17 17 GLU CB C 17 28.613 29.296 -0.683 1
1 131 . 4 1 1 A 17 17 GLU N N 17 116.527 118.319 -1.792 1
1 132 . 4 1 1 A 18 18 GLN H H 18 7.529 8.062 -0.533 1
1 133 . 4 1 1 A 18 18 GLN HA H 18 4.036 3.902 0.134 1
1 140 . 4 1 1 A 18 18 GLN C C 18 176.977 178.407 -1.430 1
1 141 . 4 1 1 A 18 18 GLN CA C 18 58.785 58.883 -0.098 1
1 142 . 4 1 1 A 18 18 GLN CB C 18 28.860 28.134 0.726 1
1 144 . 4 1 1 A 18 18 GLN N N 18 119.048 118.936 0.112 1
1 146 . 4 1 1 A 19 19 LEU H H 19 7.664 8.110 -0.446 1
1 147 . 4 1 1 A 19 19 LEU HA H 19 3.755 3.671 0.084 1
1 157 . 4 1 1 A 19 19 LEU C C 19 178.410 178.546 -0.136 1
1 158 . 4 1 1 A 19 19 LEU CA C 19 57.516 57.619 -0.103 1
1 159 . 4 1 1 A 19 19 LEU CB C 19 41.276 41.429 -0.153 1
1 163 . 4 1 1 A 19 19 LEU N N 19 117.171 120.332 -3.161 1
1 164 . 4 1 1 A 20 20 ARG H H 20 8.188 7.750 0.438 1
1 165 . 4 1 1 A 20 20 ARG HA H 20 3.998 3.967 0.031 1
1 172 . 4 1 1 A 20 20 ARG C C 20 178.993 178.361 0.632 1
1 173 . 4 1 1 A 20 20 ARG CA C 20 59.333 59.519 -0.186 1
1 174 . 4 1 1 A 20 20 ARG CB C 20 30.096 29.937 0.159 1
1 177 . 4 1 1 A 20 20 ARG N N 20 117.090 119.070 -1.980 1
1 178 . 4 1 1 A 21 21 ALA H H 21 7.176 7.643 -0.467 1
1 179 . 4 1 1 A 21 21 ALA HA H 21 4.092 4.033 0.059 1
1 183 . 4 1 1 A 21 21 ALA C C 21 180.571 179.881 0.690 1
1 184 . 4 1 1 A 21 21 ALA CA C 21 54.941 54.759 0.182 1
1 185 . 4 1 1 A 21 21 ALA CB C 21 17.858 18.120 -0.262 1
1 186 . 4 1 1 A 21 21 ALA N N 21 121.201 120.998 0.203 1
1 187 . 4 1 1 A 22 22 LEU H H 22 7.528 7.932 -0.404 1
1 188 . 4 1 1 A 22 22 LEU HA H 22 3.576 3.530 0.046 1
1 198 . 4 1 1 A 22 22 LEU C C 22 177.779 178.465 -0.686 1
1 199 . 4 1 1 A 22 22 LEU CA C 22 58.185 57.854 0.331 1
1 200 . 4 1 1 A 22 22 LEU CB C 22 38.666 40.569 -1.903 1
1 204 . 4 1 1 A 22 22 LEU N N 22 119.669 119.425 0.244 1
1 205 . 4 1 1 A 23 23 GLU H H 23 8.516 8.502 0.014 1
1 206 . 4 1 1 A 23 23 GLU HA H 23 4.221 4.193 0.028 1
1 211 . 4 1 1 A 23 23 GLU C C 23 180.352 179.080 1.272 1
1 212 . 4 1 1 A 23 23 GLU CA C 23 59.489 60.221 -0.732 1
1 213 . 4 1 1 A 23 23 GLU CB C 23 29.317 29.398 -0.081 1
1 215 . 4 1 1 A 23 23 GLU N N 23 117.420 117.679 -0.259 1
1 216 . 4 1 1 A 24 24 SER H H 24 8.209 7.668 0.541 1
1 217 . 4 1 1 A 24 24 SER HA H 24 4.303 4.219 0.084 1
1 220 . 4 1 1 A 24 24 SER C C 24 176.710 176.894 -0.184 1
1 221 . 4 1 1 A 24 24 SER CA C 24 61.852 61.669 0.183 1
1 222 . 4 1 1 A 24 24 SER CB C 24 62.767 62.949 -0.182 1
1 223 . 4 1 1 A 24 24 SER N N 24 114.551 115.848 -1.297 1
1 224 . 4 1 1 A 25 25 SER H H 25 7.396 7.880 -0.484 1
1 225 . 4 1 1 A 25 25 SER HA H 25 4.388 4.319 0.069 1
1 228 . 4 1 1 A 25 25 SER C C 25 177.415 176.927 0.488 1
1 229 . 4 1 1 A 25 25 SER CA C 25 61.428 61.237 0.191 1
1 230 . 4 1 1 A 25 25 SER CB C 25 63.319 63.027 0.292 1
1 231 . 4 1 1 A 25 25 SER N N 25 115.081 115.770 -0.689 1
1 232 . 4 1 1 A 26 26 PHE H H 26 9.019 8.703 0.316 1
1 233 . 4 1 1 A 26 26 PHE HA H 26 4.201 4.646 -0.445 1
1 241 . 4 1 1 A 26 26 PHE C C 26 176.419 176.923 -0.504 1
1 242 . 4 1 1 A 26 26 PHE CA C 26 62.239 62.177 0.062 1
1 243 . 4 1 1 A 26 26 PHE CB C 26 39.437 39.452 -0.015 1
1 249 . 4 1 1 A 26 26 PHE N N 26 120.609 123.051 -2.442 1
1 250 . 4 1 1 A 27 27 ALA H H 27 8.045 8.231 -0.186 1
1 251 . 4 1 1 A 27 27 ALA HA H 27 4.062 4.033 0.029 1
1 255 . 4 1 1 A 27 27 ALA C C 27 179.478 179.646 -0.168 1
1 256 . 4 1 1 A 27 27 ALA CA C 27 53.940 55.051 -1.111 1
1 257 . 4 1 1 A 27 27 ALA CB C 27 18.395 18.543 -0.148 1
1 258 . 4 1 1 A 27 27 ALA N N 27 116.245 121.100 -4.855 1
1 259 . 4 1 1 A 28 28 GLN H H 28 7.416 7.842 -0.426 1
1 260 . 4 1 1 A 28 28 GLN HA H 28 4.198 4.259 -0.061 1
1 267 . 4 1 1 A 28 28 GLN C C 28 177.124 175.928 1.196 1
1 268 . 4 1 1 A 28 28 GLN CA C 28 57.586 58.003 -0.417 1
1 269 . 4 1 1 A 28 28 GLN CB C 28 29.250 29.483 -0.233 1
1 271 . 4 1 1 A 28 28 GLN N N 28 115.857 114.694 1.163 1
1 273 . 4 1 1 A 29 29 ASN H H 29 8.006 7.854 0.152 1
1 274 . 4 1 1 A 29 29 ASN HA H 29 4.780 4.985 -0.205 1
1 279 . 4 1 1 A 29 29 ASN C C 29 172.728 174.592 -1.864 1
1 280 . 4 1 1 A 29 29 ASN CA C 29 51.028 49.486 1.542 1
1 281 . 4 1 1 A 29 29 ASN CB C 29 39.656 41.311 -1.655 1
1 282 . 4 1 1 A 29 29 ASN N N 29 114.892 115.385 -0.493 1
1 284 . 4 1 1 A 30 30 PRO HA H 30 4.218 4.796 -0.578 1
1 291 . 4 1 1 A 30 30 PRO C C 30 174.525 176.685 -2.160 1
1 292 . 4 1 1 A 30 30 PRO CA C 30 63.827 65.220 -1.393 1
1 293 . 4 1 1 A 30 30 PRO CB C 30 33.212 32.199 1.013 1
1 296 . 4 1 1 A 31 31 LEU H H 31 7.568 8.048 -0.480 1
1 297 . 4 1 1 A 31 31 LEU HA H 31 4.709 4.463 0.246 1
1 307 . 4 1 1 A 31 31 LEU C C 31 172.607 174.036 -1.429 1
1 308 . 4 1 1 A 31 31 LEU CA C 31 51.944 51.733 0.211 1
1 309 . 4 1 1 A 31 31 LEU CB C 31 42.822 42.778 0.044 1
1 313 . 4 1 1 A 31 31 LEU N N 31 120.819 117.751 3.068 1
1 314 . 4 1 1 A 32 32 PRO HA H 32 4.073 4.492 -0.419 1
1 321 . 4 1 1 A 32 32 PRO C C 32 177.293 177.273 0.020 1
1 322 . 4 1 1 A 32 32 PRO CA C 32 62.627 62.729 -0.102 1
1 323 . 4 1 1 A 32 32 PRO CB C 32 31.663 31.884 -0.221 1
1 326 . 4 1 1 A 33 33 LEU H H 33 8.254 8.346 -0.092 1
1 327 . 4 1 1 A 33 33 LEU HA H 33 4.410 4.361 0.049 1
1 337 . 4 1 1 A 33 33 LEU C C 33 178.312 177.963 0.349 1
1 338 . 4 1 1 A 33 33 LEU CA C 33 53.742 54.561 -0.819 1
1 339 . 4 1 1 A 33 33 LEU CB C 33 42.620 42.805 -0.185 1
1 343 . 4 1 1 A 33 33 LEU N N 33 119.030 123.082 -4.052 1
1 344 . 4 1 1 A 34 34 ASP H H 34 8.532 9.094 -0.562 1
1 345 . 4 1 1 A 34 34 ASP HA H 34 4.187 4.360 -0.173 1
1 348 . 4 1 1 A 34 34 ASP C C 34 177.731 178.496 -0.765 1
1 349 . 4 1 1 A 34 34 ASP CA C 34 58.678 57.218 1.460 1
1 350 . 4 1 1 A 34 34 ASP CB C 34 40.871 40.033 0.838 1
1 351 . 4 1 1 A 34 34 ASP N N 34 120.283 121.103 -0.820 1
1 352 . 4 1 1 A 35 35 GLU H H 35 8.841 8.210 0.631 1
1 353 . 4 1 1 A 35 35 GLU HA H 35 4.135 3.951 0.184 1
1 358 . 4 1 1 A 35 35 GLU C C 35 178.919 178.819 0.100 1
1 359 . 4 1 1 A 35 35 GLU CA C 35 59.801 59.615 0.186 1
1 360 . 4 1 1 A 35 35 GLU CB C 35 28.860 29.417 -0.557 1
1 362 . 4 1 1 A 35 35 GLU N N 35 116.076 119.487 -3.411 1
1 363 . 4 1 1 A 36 36 GLU H H 36 7.242 8.306 -1.064 1
1 364 . 4 1 1 A 36 36 GLU HA H 36 4.762 4.044 0.718 1
1 369 . 4 1 1 A 36 36 GLU C C 36 178.264 178.716 -0.452 1
1 370 . 4 1 1 A 36 36 GLU CA C 36 57.303 59.011 -1.708 1
1 371 . 4 1 1 A 36 36 GLU CB C 36 28.799 29.466 -0.667 1
1 373 . 4 1 1 A 36 36 GLU N N 36 121.997 120.419 1.578 1
1 374 . 4 1 1 A 37 37 LEU H H 37 7.778 8.035 -0.257 1
1 375 . 4 1 1 A 37 37 LEU HA H 37 3.956 4.173 -0.217 1
1 385 . 4 1 1 A 37 37 LEU C C 37 179.381 178.887 0.494 1
1 386 . 4 1 1 A 37 37 LEU CA C 37 58.608 56.885 1.723 1
1 387 . 4 1 1 A 37 37 LEU CB C 37 41.227 41.629 -0.402 1
1 391 . 4 1 1 A 37 37 LEU N N 37 120.816 119.888 0.928 1
1 392 . 4 1 1 A 38 38 ASP H H 38 8.446 8.653 -0.207 1
1 393 . 4 1 1 A 38 38 ASP HA H 38 4.455 4.325 0.130 1
1 396 . 4 1 1 A 38 38 ASP C C 38 179.162 178.511 0.651 1
1 397 . 4 1 1 A 38 38 ASP CA C 38 57.550 57.748 -0.198 1
1 398 . 4 1 1 A 38 38 ASP CB C 38 40.313 40.965 -0.652 1
1 399 . 4 1 1 A 38 38 ASP N N 38 118.274 119.729 -1.455 1
1 400 . 4 1 1 A 39 39 ARG H H 39 7.964 7.690 0.274 1
1 401 . 4 1 1 A 39 39 ARG HA H 39 4.066 4.178 -0.112 1
1 409 . 4 1 1 A 39 39 ARG C C 39 179.867 179.009 0.858 1
1 410 . 4 1 1 A 39 39 ARG CA C 39 59.801 58.666 1.135 1
1 411 . 4 1 1 A 39 39 ARG CB C 39 29.849 30.038 -0.189 1
1 414 . 4 1 1 A 39 39 ARG N N 39 123.855 120.838 3.017 1
1 416 . 4 1 1 A 40 40 LEU H H 40 8.686 7.965 0.721 1
1 417 . 4 1 1 A 40 40 LEU HA H 40 4.045 3.960 0.085 1
1 427 . 4 1 1 A 40 40 LEU C C 40 180.716 179.230 1.486 1
1 428 . 4 1 1 A 40 40 LEU CA C 40 57.782 58.039 -0.257 1
1 429 . 4 1 1 A 40 40 LEU CB C 40 43.153 41.361 1.792 1
1 433 . 4 1 1 A 40 40 LEU N N 40 118.936 119.834 -0.898 1
1 434 . 4 1 1 A 41 41 ARG H H 41 8.500 8.158 0.342 1
1 435 . 4 1 1 A 41 41 ARG HA H 41 4.078 4.145 -0.067 1
1 442 . 4 1 1 A 41 41 ARG C C 41 178.702 177.743 0.959 1
1 443 . 4 1 1 A 41 41 ARG CA C 41 60.336 58.932 1.404 1
1 444 . 4 1 1 A 41 41 ARG CB C 41 29.767 29.810 -0.043 1
1 447 . 4 1 1 A 41 41 ARG N N 41 125.386 118.852 6.534 1
1 448 . 4 1 1 A 42 42 SER H H 42 7.762 7.911 -0.149 1
1 449 . 4 1 1 A 42 42 SER HA H 42 4.238 4.334 -0.096 1
1 452 . 4 1 1 A 42 42 SER C C 42 176.030 176.553 -0.523 1
1 453 . 4 1 1 A 42 42 SER CA C 42 61.535 61.212 0.323 1
1 454 . 4 1 1 A 42 42 SER CB C 42 62.892 62.921 -0.029 1
1 455 . 4 1 1 A 42 42 SER N N 42 114.493 114.881 -0.388 1
1 456 . 4 1 1 A 43 43 GLU H H 43 8.031 7.539 0.492 1
1 457 . 4 1 1 A 43 43 GLU HA H 43 4.220 4.288 -0.068 1
1 462 . 4 1 1 A 43 43 GLU C C 43 178.264 178.853 -0.589 1
1 463 . 4 1 1 A 43 43 GLU CA C 43 58.855 58.647 0.208 1
1 464 . 4 1 1 A 43 43 GLU CB C 43 30.959 30.439 0.520 1
1 466 . 4 1 1 A 43 43 GLU N N 43 118.451 121.606 -3.155 1
1 467 . 4 1 1 A 44 44 THR H H 44 8.387 8.309 0.078 1
1 468 . 4 1 1 A 44 44 THR HA H 44 4.333 4.199 0.134 1
1 473 . 4 1 1 A 44 44 THR C C 44 175.787 174.866 0.921 1
1 474 . 4 1 1 A 44 44 THR CA C 44 63.333 62.820 0.513 1
1 475 . 4 1 1 A 44 44 THR CB C 44 72.112 69.999 2.113 1
1 477 . 4 1 1 A 44 44 THR N N 44 105.689 110.117 -4.428 1
1 478 . 4 1 1 A 45 45 LYS H H 45 7.962 7.780 0.182 1
1 479 . 4 1 1 A 45 45 LYS HA H 45 4.042 3.984 0.058 1
1 488 . 4 1 1 A 45 45 LYS C C 45 176.298 174.861 1.437 1
1 489 . 4 1 1 A 45 45 LYS CA C 45 57.934 57.428 0.506 1
1 490 . 4 1 1 A 45 45 LYS CB C 45 29.024 29.322 -0.298 1
1 494 . 4 1 1 A 45 45 LYS N N 45 115.260 116.834 -1.574 1
1 495 . 4 1 1 A 46 46 MET H H 46 7.750 7.592 0.158 1
1 496 . 4 1 1 A 46 46 MET HA H 46 4.498 4.914 -0.416 1
1 504 . 4 1 1 A 46 46 MET C C 46 176.127 175.465 0.662 1
1 505 . 4 1 1 A 46 46 MET CA C 46 55.788 54.464 1.324 1
1 506 . 4 1 1 A 46 46 MET CB C 46 36.233 35.745 0.488 1
1 509 . 4 1 1 A 46 46 MET N N 46 119.026 116.639 2.387 1
1 510 . 4 1 1 A 47 47 THR H H 47 8.712 8.469 0.243 1
1 511 . 4 1 1 A 47 47 THR HA H 47 4.376 4.866 -0.490 1
1 516 . 4 1 1 A 47 47 THR C C 47 175.812 176.280 -0.468 1
1 517 . 4 1 1 A 47 47 THR CA C 47 61.011 59.452 1.559 1
1 518 . 4 1 1 A 47 47 THR CB C 47 70.885 71.686 -0.801 1
1 520 . 4 1 1 A 47 47 THR N N 47 109.504 111.451 -1.947 1
1 521 . 4 1 1 A 48 48 ARG H H 48 9.074 8.979 0.095 1
1 522 . 4 1 1 A 48 48 ARG HA H 48 3.910 3.989 -0.079 1
1 530 . 4 1 1 A 48 48 ARG C C 48 178.119 178.666 -0.547 1
1 531 . 4 1 1 A 48 48 ARG CA C 48 59.242 59.787 -0.545 1
1 532 . 4 1 1 A 48 48 ARG CB C 48 29.189 29.939 -0.750 1
1 535 . 4 1 1 A 48 48 ARG N N 48 120.559 122.322 -1.763 1
1 537 . 4 1 1 A 49 49 ARG H H 49 8.384 8.105 0.279 1
1 538 . 4 1 1 A 49 49 ARG HA H 49 4.237 4.065 0.172 1
1 545 . 4 1 1 A 49 49 ARG C C 49 179.478 179.037 0.441 1
1 546 . 4 1 1 A 49 49 ARG CA C 49 59.419 59.393 0.026 1
1 547 . 4 1 1 A 49 49 ARG CB C 49 30.014 29.824 0.190 1
1 550 . 4 1 1 A 49 49 ARG N N 49 117.267 120.020 -2.753 1
1 551 . 4 1 1 A 50 50 GLU H H 50 7.869 8.124 -0.255 1
1 552 . 4 1 1 A 50 50 GLU HA H 50 4.073 4.070 0.003 1
1 557 . 4 1 1 A 50 50 GLU C C 50 180.036 178.805 1.231 1
1 558 . 4 1 1 A 50 50 GLU CA C 50 59.419 59.165 0.254 1
1 559 . 4 1 1 A 50 50 GLU CB C 50 30.672 29.409 1.263 1
1 561 . 4 1 1 A 50 50 GLU N N 50 119.568 118.862 0.706 1
1 562 . 4 1 1 A 51 51 ILE H H 51 8.451 7.824 0.627 1
1 563 . 4 1 1 A 51 51 ILE HA H 51 3.795 3.831 -0.036 1
1 573 . 4 1 1 A 51 51 ILE C C 51 177.706 177.641 0.065 1
1 574 . 4 1 1 A 51 51 ILE CA C 51 66.329 64.580 1.749 1
1 575 . 4 1 1 A 51 51 ILE CB C 51 38.715 37.568 1.147 1
1 579 . 4 1 1 A 51 51 ILE N N 51 122.516 121.248 1.268 1
1 580 . 4 1 1 A 52 52 ASP H H 52 9.078 8.885 0.193 1
1 581 . 4 1 1 A 52 52 ASP HA H 52 4.561 4.486 0.075 1
1 584 . 4 1 1 A 52 52 ASP C C 52 180.085 178.365 1.720 1
1 585 . 4 1 1 A 52 52 ASP CA C 52 58.249 57.691 0.558 1
1 586 . 4 1 1 A 52 52 ASP CB C 52 40.908 41.138 -0.230 1
1 587 . 4 1 1 A 52 52 ASP N N 52 121.201 121.311 -0.110 1
1 588 . 4 1 1 A 53 53 SER H H 53 8.298 7.756 0.542 1
1 589 . 4 1 1 A 53 53 SER HA H 53 4.362 4.245 0.117 1
1 592 . 4 1 1 A 53 53 SER C C 53 175.934 176.863 -0.929 1
1 593 . 4 1 1 A 53 53 SER CA C 53 61.928 61.354 0.574 1
1 594 . 4 1 1 A 53 53 SER CB C 53 62.974 62.731 0.243 1
1 595 . 4 1 1 A 53 53 SER N N 53 114.616 113.573 1.043 1
1 596 . 4 1 1 A 54 54 TRP H H 54 8.315 7.822 0.493 1
1 597 . 4 1 1 A 54 54 TRP HA H 54 3.993 4.149 -0.156 1
1 606 . 4 1 1 A 54 54 TRP C C 54 179.453 178.223 1.230 1
1 607 . 4 1 1 A 54 54 TRP CA C 54 63.191 61.129 2.062 1
1 608 . 4 1 1 A 54 54 TRP CB C 54 28.777 29.484 -0.707 1
1 614 . 4 1 1 A 54 54 TRP N N 54 123.444 123.742 -0.298 1
1 616 . 4 1 1 A 55 55 PHE H H 55 9.110 8.035 1.075 1
1 617 . 4 1 1 A 55 55 PHE HA H 55 3.880 4.117 -0.237 1
1 625 . 4 1 1 A 55 55 PHE C C 55 178.119 178.458 -0.339 1
1 626 . 4 1 1 A 55 55 PHE CA C 55 63.563 61.031 2.532 1
1 627 . 4 1 1 A 55 55 PHE CB C 55 39.721 39.086 0.635 1
1 633 . 4 1 1 A 55 55 PHE N N 55 119.065 118.322 0.743 1
1 634 . 4 1 1 A 56 56 SER H H 56 8.330 8.048 0.282 1
1 635 . 4 1 1 A 56 56 SER HA H 56 4.173 4.261 -0.088 1
1 638 . 4 1 1 A 56 56 SER C C 56 177.851 175.957 1.894 1
1 639 . 4 1 1 A 56 56 SER CA C 56 61.958 62.333 -0.375 1
1 640 . 4 1 1 A 56 56 SER CB C 56 62.727 63.305 -0.578 1
1 641 . 4 1 1 A 56 56 SER N N 56 113.028 115.326 -2.298 1
1 642 . 4 1 1 A 57 57 GLU H H 57 8.070 8.148 -0.078 1
1 643 . 4 1 1 A 57 57 GLU HA H 57 3.922 4.132 -0.210 1
1 648 . 4 1 1 A 57 57 GLU C C 57 178.895 178.518 0.377 1
1 649 . 4 1 1 A 57 57 GLU CA C 57 58.629 57.746 0.883 1
1 650 . 4 1 1 A 57 57 GLU CB C 57 29.107 29.552 -0.445 1
1 652 . 4 1 1 A 57 57 GLU N N 57 119.996 120.493 -0.497 1
1 653 . 4 1 1 A 58 58 ARG H H 58 8.048 7.853 0.195 1
1 654 . 4 1 1 A 58 58 ARG HA H 58 3.489 3.631 -0.142 1
1 662 . 4 1 1 A 58 58 ARG C C 58 179.186 178.072 1.114 1
1 663 . 4 1 1 A 58 58 ARG CA C 58 56.770 58.521 -1.751 1
1 664 . 4 1 1 A 58 58 ARG CB C 58 28.145 29.132 -0.987 1
1 667 . 4 1 1 A 58 58 ARG N N 58 122.160 120.963 1.197 1
1 669 . 4 1 1 A 59 59 ARG H H 59 8.093 8.074 0.019 1
1 670 . 4 1 1 A 59 59 ARG HA H 59 4.212 4.167 0.045 1
1 677 . 4 1 1 A 59 59 ARG C C 59 178.458 177.719 0.739 1
1 678 . 4 1 1 A 59 59 ARG CA C 59 60.019 58.972 1.047 1
1 679 . 4 1 1 A 59 59 ARG CB C 59 31.689 30.019 1.670 1
1 682 . 4 1 1 A 59 59 ARG N N 59 116.818 118.068 -1.250 1
1 683 . 4 1 1 A 60 60 LYS H H 60 7.418 8.048 -0.630 1
1 684 . 4 1 1 A 60 60 LYS HA H 60 4.154 4.066 0.088 1
1 693 . 4 1 1 A 60 60 LYS C C 60 177.803 178.925 -1.122 1
1 694 . 4 1 1 A 60 60 LYS CA C 60 58.327 59.148 -0.821 1
1 695 . 4 1 1 A 60 60 LYS CB C 60 32.651 31.834 0.817 1
1 699 . 4 1 1 A 60 60 LYS N N 60 117.893 118.102 -0.209 1
1 700 . 4 1 1 A 61 61 LYS H H 61 7.510 8.086 -0.576 1
1 701 . 4 1 1 A 61 61 LYS HA H 61 4.177 4.086 0.091 1
1 710 . 4 1 1 A 61 61 LYS C C 61 177.317 178.755 -1.438 1
1 711 . 4 1 1 A 61 61 LYS CA C 61 57.516 58.924 -1.408 1
1 712 . 4 1 1 A 61 61 LYS CB C 61 32.809 32.294 0.515 1
1 716 . 4 1 1 A 61 61 LYS N N 61 119.359 119.507 -0.148 1
1 717 . 4 1 1 A 62 62 VAL H H 62 7.805 7.775 0.030 1
1 718 . 4 1 1 A 62 62 VAL HA H 62 4.013 3.621 0.392 1
1 726 . 4 1 1 A 62 62 VAL C C 62 176.784 178.291 -1.507 1
1 727 . 4 1 1 A 62 62 VAL CA C 62 63.755 66.393 -2.638 1
1 728 . 4 1 1 A 62 62 VAL CB C 62 32.365 31.633 0.732 1
1 731 . 4 1 1 A 62 62 VAL N N 62 119.337 119.539 -0.202 1
1 732 . 4 1 1 A 63 63 ASN H H 63 8.282 8.283 -0.001 1
1 733 . 4 1 1 A 63 63 ASN HA H 63 4.700 4.458 0.242 1
1 738 . 4 1 1 A 63 63 ASN C C 63 175.594 175.924 -0.330 1
1 739 . 4 1 1 A 63 63 ASN CA C 63 53.962 56.400 -2.438 1
1 740 . 4 1 1 A 63 63 ASN CB C 63 38.913 38.808 0.105 1
1 741 . 4 1 1 A 63 63 ASN N N 63 120.443 118.244 2.199 1
1 743 . 4 1 1 A 64 64 ALA H H 64 8.225 7.363 0.862 1
1 744 . 4 1 1 A 64 64 ALA HA H 64 4.290 4.403 -0.113 1
1 748 . 4 1 1 A 64 64 ALA C C 64 178.312 176.242 2.070 1
1 749 . 4 1 1 A 64 64 ALA CA C 64 53.319 51.552 1.767 1
1 750 . 4 1 1 A 64 64 ALA CB C 64 19.055 17.581 1.474 1
1 751 . 4 1 1 A 64 64 ALA N N 64 123.747 118.769 4.978 1
1 752 . 4 1 1 A 65 65 GLU H H 65 8.262 8.893 -0.631 1
1 753 . 4 1 1 A 65 65 GLU HA H 65 4.233 4.616 -0.383 1
1 758 . 4 1 1 A 65 65 GLU C C 65 177.244 175.749 1.495 1
1 759 . 4 1 1 A 65 65 GLU CA C 65 57.269 56.006 1.263 1
1 760 . 4 1 1 A 65 65 GLU CB C 65 30.114 32.745 -2.631 1
1 762 . 4 1 1 A 65 65 GLU N N 65 118.780 122.992 -4.212 1
1 763 . 4 1 1 A 66 66 GLU H H 66 8.327 9.074 -0.747 1
1 764 . 4 1 1 A 66 66 GLU HA H 66 4.301 3.932 0.369 1
1 769 . 4 1 1 A 66 66 GLU C C 66 177.244 175.008 2.236 1
1 770 . 4 1 1 A 66 66 GLU CA C 66 57.197 57.478 -0.281 1
1 771 . 4 1 1 A 66 66 GLU CB C 66 30.227 28.637 1.590 1
1 773 . 4 1 1 A 66 66 GLU N N 66 120.955 125.213 -4.258 1
1 774 . 4 1 1 A 67 67 THR H H 67 8.135 7.542 0.593 1
1 775 . 4 1 1 A 67 67 THR HA H 67 4.280 5.001 -0.721 1
1 780 . 4 1 1 A 67 67 THR C C 67 174.816 172.918 1.898 1
1 781 . 4 1 1 A 67 67 THR CA C 67 62.615 59.193 3.422 1
1 782 . 4 1 1 A 67 67 THR CB C 67 69.648 72.212 -2.564 1
1 784 . 4 1 1 A 67 67 THR N N 67 114.856 108.539 6.317 1
1 785 . 4 1 1 A 68 68 LYS H H 68 8.202 8.431 -0.229 1
1 786 . 4 1 1 A 68 68 LYS HA H 68 4.327 4.252 0.075 1
1 795 . 4 1 1 A 68 68 LYS C C 68 176.637 175.139 1.498 1
1 796 . 4 1 1 A 68 68 LYS CA C 68 56.599 57.318 -0.719 1
1 797 . 4 1 1 A 68 68 LYS CB C 68 32.898 33.163 -0.265 1
1 801 . 4 1 1 A 68 68 LYS N N 68 123.462 122.492 0.970 1
1 802 . 4 1 1 A 69 69 LYS H H 69 8.300 8.512 -0.212 1
1 803 . 4 1 1 A 69 69 LYS HA H 69 4.375 4.718 -0.343 1
1 812 . 4 1 1 A 69 69 LYS C C 69 176.661 174.385 2.276 1
1 813 . 4 1 1 A 69 69 LYS CA C 69 56.458 55.772 0.686 1
1 814 . 4 1 1 A 69 69 LYS CB C 69 33.145 36.623 -3.478 1
1 818 . 4 1 1 A 69 69 LYS N N 69 122.321 127.240 -4.919 1
1 819 . 4 1 1 A 70 70 SER H H 70 8.330 8.708 -0.378 1
1 820 . 4 1 1 A 70 70 SER HA H 70 4.536 4.697 -0.161 1
1 823 . 4 1 1 A 70 70 SER C C 70 174.525 173.382 1.143 1
1 824 . 4 1 1 A 70 70 SER CA C 70 58.361 57.537 0.824 1
1 825 . 4 1 1 A 70 70 SER CB C 70 64.022 62.830 1.192 1
1 826 . 4 1 1 A 70 70 SER N N 70 116.687 120.546 -3.859 1
1 827 . 4 1 1 A 71 71 GLY H H 71 8.250 7.587 0.663 1
1 828 . 4 1 1 A 71 71 GLY C C 71 171.782 171.530 0.252 1
1 829 . 4 1 1 A 71 71 GLY CA C 71 44.717 45.405 -0.688 1
1 830 . 4 1 1 A 71 71 GLY N N 71 110.366 110.348 0.018 1
1 831 . 4 1 1 A 72 72 PRO HA H 72 4.141 4.584 -0.443 1
1 832 . 4 1 1 A 74 74 SER HA H 74 4.526 5.518 -0.992 1
1 835 . 4 1 1 A 74 74 SER C C 74 173.918 173.617 0.301 1
1 836 . 4 1 1 A 74 74 SER CA C 74 58.528 56.226 2.302 1
1 837 . 4 1 1 A 74 74 SER CB C 74 63.972 65.334 -1.362 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 4.146 4.084 0.062 1
1 2 . 5 1 1 A 7 7 GLY CA C 7 44.691 45.523 -0.832 1
1 3 . 5 1 1 A 8 8 PRO HA H 8 4.512 4.569 -0.057 1
1 10 . 5 1 1 A 8 8 PRO C C 8 177.365 175.844 1.521 1
1 11 . 5 1 1 A 8 8 PRO CA C 8 63.297 62.680 0.617 1
1 12 . 5 1 1 A 8 8 PRO CB C 8 32.239 30.304 1.935 1
1 15 . 5 1 1 A 9 9 THR H H 9 8.295 7.823 0.472 1
1 16 . 5 1 1 A 9 9 THR HA H 9 4.271 4.952 -0.681 1
1 21 . 5 1 1 A 9 9 THR C C 9 174.452 173.291 1.161 1
1 22 . 5 1 1 A 9 9 THR CA C 9 62.276 60.556 1.720 1
1 23 . 5 1 1 A 9 9 THR CB C 9 69.790 70.131 -0.341 1
1 25 . 5 1 1 A 9 9 THR N N 9 114.885 112.645 2.240 1
1 26 . 5 1 1 A 10 10 LYS H H 10 8.284 8.453 -0.169 1
1 27 . 5 1 1 A 10 10 LYS HA H 10 4.281 3.874 0.407 1
1 35 . 5 1 1 A 10 10 LYS C C 10 176.103 177.399 -1.296 1
1 36 . 5 1 1 A 10 10 LYS CA C 10 56.316 56.232 0.084 1
1 37 . 5 1 1 A 10 10 LYS CB C 10 33.062 34.014 -0.952 1
1 41 . 5 1 1 A 10 10 LYS N N 10 123.812 127.167 -3.355 1
1 42 . 5 1 1 A 11 11 TYR H H 11 8.198 7.986 0.212 1
1 43 . 5 1 1 A 11 11 TYR HA H 11 4.569 4.129 0.440 1
1 50 . 5 1 1 A 11 11 TYR C C 11 175.496 176.150 -0.654 1
1 51 . 5 1 1 A 11 11 TYR CA C 11 58.044 60.913 -2.869 1
1 52 . 5 1 1 A 11 11 TYR CB C 11 38.842 38.697 0.145 1
1 57 . 5 1 1 A 11 11 TYR N N 11 121.375 125.053 -3.678 1
1 58 . 5 1 1 A 12 12 LYS H H 12 8.168 7.863 0.305 1
1 59 . 5 1 1 A 12 12 LYS HA H 12 4.255 4.828 -0.573 1
1 68 . 5 1 1 A 12 12 LYS C C 12 175.861 175.299 0.562 1
1 69 . 5 1 1 A 12 12 LYS CA C 12 56.050 54.455 1.595 1
1 70 . 5 1 1 A 12 12 LYS CB C 12 33.145 36.352 -3.207 1
1 74 . 5 1 1 A 12 12 LYS N N 12 123.375 116.876 6.499 1
1 75 . 5 1 1 A 13 13 GLU H H 13 8.386 8.583 -0.197 1
1 76 . 5 1 1 A 13 13 GLU HA H 13 4.285 4.697 -0.412 1
1 81 . 5 1 1 A 13 13 GLU C C 13 176.419 176.162 0.257 1
1 82 . 5 1 1 A 13 13 GLU CA C 13 56.519 54.995 1.524 1
1 83 . 5 1 1 A 13 13 GLU CB C 13 30.261 31.116 -0.855 1
1 85 . 5 1 1 A 13 13 GLU N N 13 122.385 119.099 3.286 1
1 86 . 5 1 1 A 14 14 ARG H H 14 8.451 8.411 0.040 1
1 87 . 5 1 1 A 14 14 ARG HA H 14 4.424 4.409 0.015 1
1 94 . 5 1 1 A 14 14 ARG C C 14 175.230 176.235 -1.005 1
1 95 . 5 1 1 A 14 14 ARG CA C 14 55.188 56.370 -1.182 1
1 96 . 5 1 1 A 14 14 ARG CB C 14 31.003 31.282 -0.279 1
1 99 . 5 1 1 A 14 14 ARG N N 14 121.822 121.358 0.464 1
1 100 . 5 1 1 A 15 15 ALA H H 15 8.444 8.515 -0.071 1
1 101 . 5 1 1 A 15 15 ALA HA H 15 4.633 4.661 -0.028 1
1 105 . 5 1 1 A 15 15 ALA C C 15 176.808 177.629 -0.821 1
1 106 . 5 1 1 A 15 15 ALA CA C 15 50.852 50.579 0.273 1
1 107 . 5 1 1 A 15 15 ALA CB C 15 17.938 18.774 -0.836 1
1 108 . 5 1 1 A 15 15 ALA N N 15 125.225 123.316 1.909 1
1 109 . 5 1 1 A 16 16 PRO HA H 16 4.240 4.449 -0.209 1
1 116 . 5 1 1 A 16 16 PRO C C 16 178.993 177.549 1.444 1
1 117 . 5 1 1 A 16 16 PRO CA C 16 65.731 64.491 1.240 1
1 118 . 5 1 1 A 16 16 PRO CB C 16 31.966 31.917 0.049 1
1 121 . 5 1 1 A 17 17 GLU H H 17 9.453 8.508 0.945 1
1 122 . 5 1 1 A 17 17 GLU HA H 17 4.051 4.165 -0.114 1
1 127 . 5 1 1 A 17 17 GLU C C 17 179.550 178.889 0.661 1
1 128 . 5 1 1 A 17 17 GLU CA C 17 59.568 58.560 1.008 1
1 129 . 5 1 1 A 17 17 GLU CB C 17 28.613 29.846 -1.233 1
1 131 . 5 1 1 A 17 17 GLU N N 17 116.527 117.152 -0.625 1
1 132 . 5 1 1 A 18 18 GLN H H 18 7.529 7.916 -0.387 1
1 133 . 5 1 1 A 18 18 GLN HA H 18 4.036 4.023 0.013 1
1 140 . 5 1 1 A 18 18 GLN C C 18 176.977 178.398 -1.421 1
1 141 . 5 1 1 A 18 18 GLN CA C 18 58.785 58.356 0.429 1
1 142 . 5 1 1 A 18 18 GLN CB C 18 28.860 28.310 0.550 1
1 144 . 5 1 1 A 18 18 GLN N N 18 119.048 121.100 -2.052 1
1 146 . 5 1 1 A 19 19 LEU H H 19 7.664 8.139 -0.475 1
1 147 . 5 1 1 A 19 19 LEU HA H 19 3.755 3.628 0.127 1
1 157 . 5 1 1 A 19 19 LEU C C 19 178.410 178.461 -0.051 1
1 158 . 5 1 1 A 19 19 LEU CA C 19 57.516 57.652 -0.136 1
1 159 . 5 1 1 A 19 19 LEU CB C 19 41.276 41.314 -0.038 1
1 163 . 5 1 1 A 19 19 LEU N N 19 117.171 120.161 -2.990 1
1 164 . 5 1 1 A 20 20 ARG H H 20 8.188 8.145 0.043 1
1 165 . 5 1 1 A 20 20 ARG HA H 20 3.998 3.948 0.050 1
1 172 . 5 1 1 A 20 20 ARG C C 20 178.993 178.312 0.681 1
1 173 . 5 1 1 A 20 20 ARG CA C 20 59.333 59.594 -0.261 1
1 174 . 5 1 1 A 20 20 ARG CB C 20 30.096 30.032 0.064 1
1 177 . 5 1 1 A 20 20 ARG N N 20 117.090 119.695 -2.605 1
1 178 . 5 1 1 A 21 21 ALA H H 21 7.176 7.493 -0.317 1
1 179 . 5 1 1 A 21 21 ALA HA H 21 4.092 4.007 0.085 1
1 183 . 5 1 1 A 21 21 ALA C C 21 180.571 180.121 0.450 1
1 184 . 5 1 1 A 21 21 ALA CA C 21 54.941 54.846 0.095 1
1 185 . 5 1 1 A 21 21 ALA CB C 21 17.858 18.285 -0.427 1
1 186 . 5 1 1 A 21 21 ALA N N 21 121.201 121.179 0.022 1
1 187 . 5 1 1 A 22 22 LEU H H 22 7.528 7.830 -0.302 1
1 188 . 5 1 1 A 22 22 LEU HA H 22 3.576 3.717 -0.141 1
1 198 . 5 1 1 A 22 22 LEU C C 22 177.779 178.413 -0.634 1
1 199 . 5 1 1 A 22 22 LEU CA C 22 58.185 57.936 0.249 1
1 200 . 5 1 1 A 22 22 LEU CB C 22 38.666 40.779 -2.113 1
1 204 . 5 1 1 A 22 22 LEU N N 22 119.669 118.591 1.078 1
1 205 . 5 1 1 A 23 23 GLU H H 23 8.516 8.490 0.026 1
1 206 . 5 1 1 A 23 23 GLU HA H 23 4.221 4.224 -0.003 1
1 211 . 5 1 1 A 23 23 GLU C C 23 180.352 179.230 1.122 1
1 212 . 5 1 1 A 23 23 GLU CA C 23 59.489 60.326 -0.837 1
1 213 . 5 1 1 A 23 23 GLU CB C 23 29.317 29.564 -0.247 1
1 215 . 5 1 1 A 23 23 GLU N N 23 117.420 117.596 -0.176 1
1 216 . 5 1 1 A 24 24 SER H H 24 8.209 7.551 0.658 1
1 217 . 5 1 1 A 24 24 SER HA H 24 4.303 4.233 0.070 1
1 220 . 5 1 1 A 24 24 SER C C 24 176.710 177.136 -0.426 1
1 221 . 5 1 1 A 24 24 SER CA C 24 61.852 61.740 0.112 1
1 222 . 5 1 1 A 24 24 SER CB C 24 62.767 62.907 -0.140 1
1 223 . 5 1 1 A 24 24 SER N N 24 114.551 115.651 -1.100 1
1 224 . 5 1 1 A 25 25 SER H H 25 7.396 8.120 -0.724 1
1 225 . 5 1 1 A 25 25 SER HA H 25 4.388 4.302 0.086 1
1 228 . 5 1 1 A 25 25 SER C C 25 177.415 176.848 0.567 1
1 229 . 5 1 1 A 25 25 SER CA C 25 61.428 61.297 0.131 1
1 230 . 5 1 1 A 25 25 SER CB C 25 63.319 63.026 0.293 1
1 231 . 5 1 1 A 25 25 SER N N 25 115.081 115.741 -0.660 1
1 232 . 5 1 1 A 26 26 PHE H H 26 9.019 9.028 -0.009 1
1 233 . 5 1 1 A 26 26 PHE HA H 26 4.201 4.658 -0.457 1
1 241 . 5 1 1 A 26 26 PHE C C 26 176.419 177.332 -0.913 1
1 242 . 5 1 1 A 26 26 PHE CA C 26 62.239 62.104 0.135 1
1 243 . 5 1 1 A 26 26 PHE CB C 26 39.437 39.524 -0.087 1
1 249 . 5 1 1 A 26 26 PHE N N 26 120.609 123.021 -2.412 1
1 250 . 5 1 1 A 27 27 ALA H H 27 8.045 7.952 0.093 1
1 251 . 5 1 1 A 27 27 ALA HA H 27 4.062 3.993 0.069 1
1 255 . 5 1 1 A 27 27 ALA C C 27 179.478 179.816 -0.338 1
1 256 . 5 1 1 A 27 27 ALA CA C 27 53.940 55.119 -1.179 1
1 257 . 5 1 1 A 27 27 ALA CB C 27 18.395 18.410 -0.015 1
1 258 . 5 1 1 A 27 27 ALA N N 27 116.245 121.264 -5.019 1
1 259 . 5 1 1 A 28 28 GLN H H 28 7.416 7.815 -0.399 1
1 260 . 5 1 1 A 28 28 GLN HA H 28 4.198 4.254 -0.056 1
1 267 . 5 1 1 A 28 28 GLN C C 28 177.124 175.953 1.171 1
1 268 . 5 1 1 A 28 28 GLN CA C 28 57.586 58.142 -0.556 1
1 269 . 5 1 1 A 28 28 GLN CB C 28 29.250 29.381 -0.131 1
1 271 . 5 1 1 A 28 28 GLN N N 28 115.857 115.286 0.571 1
1 273 . 5 1 1 A 29 29 ASN H H 29 8.006 7.816 0.190 1
1 274 . 5 1 1 A 29 29 ASN HA H 29 4.780 5.001 -0.221 1
1 279 . 5 1 1 A 29 29 ASN C C 29 172.728 174.698 -1.970 1
1 280 . 5 1 1 A 29 29 ASN CA C 29 51.028 49.488 1.540 1
1 281 . 5 1 1 A 29 29 ASN CB C 29 39.656 41.306 -1.650 1
1 282 . 5 1 1 A 29 29 ASN N N 29 114.892 115.425 -0.533 1
1 284 . 5 1 1 A 30 30 PRO HA H 30 4.218 4.835 -0.617 1
1 291 . 5 1 1 A 30 30 PRO C C 30 174.525 176.677 -2.152 1
1 292 . 5 1 1 A 30 30 PRO CA C 30 63.827 65.105 -1.278 1
1 293 . 5 1 1 A 30 30 PRO CB C 30 33.212 32.170 1.042 1
1 296 . 5 1 1 A 31 31 LEU H H 31 7.568 8.063 -0.495 1
1 297 . 5 1 1 A 31 31 LEU HA H 31 4.709 4.456 0.253 1
1 307 . 5 1 1 A 31 31 LEU C C 31 172.607 173.958 -1.351 1
1 308 . 5 1 1 A 31 31 LEU CA C 31 51.944 51.748 0.196 1
1 309 . 5 1 1 A 31 31 LEU CB C 31 42.822 42.828 -0.006 1
1 313 . 5 1 1 A 31 31 LEU N N 31 120.819 117.771 3.048 1
1 314 . 5 1 1 A 32 32 PRO HA H 32 4.073 4.483 -0.410 1
1 321 . 5 1 1 A 32 32 PRO C C 32 177.293 177.131 0.162 1
1 322 . 5 1 1 A 32 32 PRO CA C 32 62.627 62.705 -0.078 1
1 323 . 5 1 1 A 32 32 PRO CB C 32 31.663 32.082 -0.419 1
1 326 . 5 1 1 A 33 33 LEU H H 33 8.254 8.400 -0.146 1
1 327 . 5 1 1 A 33 33 LEU HA H 33 4.410 4.517 -0.107 1
1 337 . 5 1 1 A 33 33 LEU C C 33 178.312 177.771 0.541 1
1 338 . 5 1 1 A 33 33 LEU CA C 33 53.742 54.098 -0.356 1
1 339 . 5 1 1 A 33 33 LEU CB C 33 42.620 42.563 0.057 1
1 343 . 5 1 1 A 33 33 LEU N N 33 119.030 122.152 -3.122 1
1 344 . 5 1 1 A 34 34 ASP H H 34 8.532 8.919 -0.387 1
1 345 . 5 1 1 A 34 34 ASP HA H 34 4.187 4.294 -0.107 1
1 348 . 5 1 1 A 34 34 ASP C C 34 177.731 178.412 -0.681 1
1 349 . 5 1 1 A 34 34 ASP CA C 34 58.678 56.975 1.703 1
1 350 . 5 1 1 A 34 34 ASP CB C 34 40.871 39.920 0.951 1
1 351 . 5 1 1 A 34 34 ASP N N 34 120.283 120.964 -0.681 1
1 352 . 5 1 1 A 35 35 GLU H H 35 8.841 8.428 0.413 1
1 353 . 5 1 1 A 35 35 GLU HA H 35 4.135 4.074 0.061 1
1 358 . 5 1 1 A 35 35 GLU C C 35 178.919 178.565 0.354 1
1 359 . 5 1 1 A 35 35 GLU CA C 35 59.801 59.497 0.304 1
1 360 . 5 1 1 A 35 35 GLU CB C 35 28.860 29.388 -0.528 1
1 362 . 5 1 1 A 35 35 GLU N N 35 116.076 118.526 -2.450 1
1 363 . 5 1 1 A 36 36 GLU H H 36 7.242 8.130 -0.888 1
1 364 . 5 1 1 A 36 36 GLU HA H 36 4.762 4.092 0.670 1
1 369 . 5 1 1 A 36 36 GLU C C 36 178.264 178.562 -0.298 1
1 370 . 5 1 1 A 36 36 GLU CA C 36 57.303 58.849 -1.546 1
1 371 . 5 1 1 A 36 36 GLU CB C 36 28.799 29.289 -0.490 1
1 373 . 5 1 1 A 36 36 GLU N N 36 121.997 119.709 2.288 1
1 374 . 5 1 1 A 37 37 LEU H H 37 7.778 7.574 0.204 1
1 375 . 5 1 1 A 37 37 LEU HA H 37 3.956 4.226 -0.270 1
1 385 . 5 1 1 A 37 37 LEU C C 37 179.381 178.585 0.796 1
1 386 . 5 1 1 A 37 37 LEU CA C 37 58.608 56.780 1.828 1
1 387 . 5 1 1 A 37 37 LEU CB C 37 41.227 41.655 -0.428 1
1 391 . 5 1 1 A 37 37 LEU N N 37 120.816 119.632 1.184 1
1 392 . 5 1 1 A 38 38 ASP H H 38 8.446 8.647 -0.201 1
1 393 . 5 1 1 A 38 38 ASP HA H 38 4.455 4.352 0.103 1
1 396 . 5 1 1 A 38 38 ASP C C 38 179.162 178.431 0.731 1
1 397 . 5 1 1 A 38 38 ASP CA C 38 57.550 57.547 0.003 1
1 398 . 5 1 1 A 38 38 ASP CB C 38 40.313 42.219 -1.906 1
1 399 . 5 1 1 A 38 38 ASP N N 38 118.274 119.807 -1.533 1
1 400 . 5 1 1 A 39 39 ARG H H 39 7.964 7.917 0.047 1
1 401 . 5 1 1 A 39 39 ARG HA H 39 4.066 4.071 -0.005 1
1 409 . 5 1 1 A 39 39 ARG C C 39 179.867 178.745 1.122 1
1 410 . 5 1 1 A 39 39 ARG CA C 39 59.801 59.438 0.363 1
1 411 . 5 1 1 A 39 39 ARG CB C 39 29.849 30.410 -0.561 1
1 414 . 5 1 1 A 39 39 ARG N N 39 123.855 119.527 4.328 1
1 416 . 5 1 1 A 40 40 LEU H H 40 8.686 7.779 0.907 1
1 417 . 5 1 1 A 40 40 LEU HA H 40 4.045 3.906 0.139 1
1 427 . 5 1 1 A 40 40 LEU C C 40 180.716 179.202 1.514 1
1 428 . 5 1 1 A 40 40 LEU CA C 40 57.782 57.960 -0.178 1
1 429 . 5 1 1 A 40 40 LEU CB C 40 43.153 41.538 1.615 1
1 433 . 5 1 1 A 40 40 LEU N N 40 118.936 120.533 -1.597 1
1 434 . 5 1 1 A 41 41 ARG H H 41 8.500 8.620 -0.120 1
1 435 . 5 1 1 A 41 41 ARG HA H 41 4.078 4.045 0.033 1
1 442 . 5 1 1 A 41 41 ARG C C 41 178.702 179.341 -0.639 1
1 443 . 5 1 1 A 41 41 ARG CA C 41 60.336 59.893 0.443 1
1 444 . 5 1 1 A 41 41 ARG CB C 41 29.767 30.208 -0.441 1
1 447 . 5 1 1 A 41 41 ARG N N 41 125.386 119.278 6.108 1
1 448 . 5 1 1 A 42 42 SER H H 42 7.762 8.218 -0.456 1
1 449 . 5 1 1 A 42 42 SER HA H 42 4.238 4.226 0.012 1
1 452 . 5 1 1 A 42 42 SER C C 42 176.030 176.309 -0.279 1
1 453 . 5 1 1 A 42 42 SER CA C 42 61.535 61.310 0.225 1
1 454 . 5 1 1 A 42 42 SER CB C 42 62.892 63.246 -0.354 1
1 455 . 5 1 1 A 42 42 SER N N 42 114.493 115.329 -0.836 1
1 456 . 5 1 1 A 43 43 GLU H H 43 8.031 8.077 -0.046 1
1 457 . 5 1 1 A 43 43 GLU HA H 43 4.220 4.259 -0.039 1
1 462 . 5 1 1 A 43 43 GLU C C 43 178.264 178.918 -0.654 1
1 463 . 5 1 1 A 43 43 GLU CA C 43 58.855 58.654 0.201 1
1 464 . 5 1 1 A 43 43 GLU CB C 43 30.959 30.406 0.553 1
1 466 . 5 1 1 A 43 43 GLU N N 43 118.451 120.672 -2.221 1
1 467 . 5 1 1 A 44 44 THR H H 44 8.387 8.320 0.067 1
1 468 . 5 1 1 A 44 44 THR HA H 44 4.333 4.056 0.277 1
1 473 . 5 1 1 A 44 44 THR C C 44 175.787 174.880 0.907 1
1 474 . 5 1 1 A 44 44 THR CA C 44 63.333 64.345 -1.012 1
1 475 . 5 1 1 A 44 44 THR CB C 44 72.112 69.981 2.131 1
1 477 . 5 1 1 A 44 44 THR N N 44 105.689 111.195 -5.506 1
1 478 . 5 1 1 A 45 45 LYS H H 45 7.962 8.051 -0.089 1
1 479 . 5 1 1 A 45 45 LYS HA H 45 4.042 4.140 -0.098 1
1 488 . 5 1 1 A 45 45 LYS C C 45 176.298 174.771 1.527 1
1 489 . 5 1 1 A 45 45 LYS CA C 45 57.934 57.299 0.635 1
1 490 . 5 1 1 A 45 45 LYS CB C 45 29.024 29.292 -0.268 1
1 494 . 5 1 1 A 45 45 LYS N N 45 115.260 116.679 -1.419 1
1 495 . 5 1 1 A 46 46 MET H H 46 7.750 7.003 0.747 1
1 496 . 5 1 1 A 46 46 MET HA H 46 4.498 5.076 -0.578 1
1 504 . 5 1 1 A 46 46 MET C C 46 176.127 175.289 0.838 1
1 505 . 5 1 1 A 46 46 MET CA C 46 55.788 54.143 1.645 1
1 506 . 5 1 1 A 46 46 MET CB C 46 36.233 37.362 -1.129 1
1 509 . 5 1 1 A 46 46 MET N N 46 119.026 116.198 2.828 1
1 510 . 5 1 1 A 47 47 THR H H 47 8.712 8.448 0.264 1
1 511 . 5 1 1 A 47 47 THR HA H 47 4.376 4.754 -0.378 1
1 516 . 5 1 1 A 47 47 THR C C 47 175.812 176.246 -0.434 1
1 517 . 5 1 1 A 47 47 THR CA C 47 61.011 60.074 0.937 1
1 518 . 5 1 1 A 47 47 THR CB C 47 70.885 71.586 -0.701 1
1 520 . 5 1 1 A 47 47 THR N N 47 109.504 111.355 -1.851 1
1 521 . 5 1 1 A 48 48 ARG H H 48 9.074 9.005 0.069 1
1 522 . 5 1 1 A 48 48 ARG HA H 48 3.910 4.001 -0.091 1
1 530 . 5 1 1 A 48 48 ARG C C 48 178.119 177.941 0.178 1
1 531 . 5 1 1 A 48 48 ARG CA C 48 59.242 60.051 -0.809 1
1 532 . 5 1 1 A 48 48 ARG CB C 48 29.189 29.923 -0.734 1
1 535 . 5 1 1 A 48 48 ARG N N 48 120.559 121.828 -1.269 1
1 537 . 5 1 1 A 49 49 ARG H H 49 8.384 8.331 0.053 1
1 538 . 5 1 1 A 49 49 ARG HA H 49 4.237 4.089 0.148 1
1 545 . 5 1 1 A 49 49 ARG C C 49 179.478 178.194 1.284 1
1 546 . 5 1 1 A 49 49 ARG CA C 49 59.419 59.186 0.233 1
1 547 . 5 1 1 A 49 49 ARG CB C 49 30.014 29.876 0.138 1
1 550 . 5 1 1 A 49 49 ARG N N 49 117.267 118.624 -1.357 1
1 551 . 5 1 1 A 50 50 GLU H H 50 7.869 7.908 -0.039 1
1 552 . 5 1 1 A 50 50 GLU HA H 50 4.073 4.213 -0.140 1
1 557 . 5 1 1 A 50 50 GLU C C 50 180.036 179.116 0.920 1
1 558 . 5 1 1 A 50 50 GLU CA C 50 59.419 59.538 -0.119 1
1 559 . 5 1 1 A 50 50 GLU CB C 50 30.672 29.166 1.506 1
1 561 . 5 1 1 A 50 50 GLU N N 50 119.568 118.679 0.889 1
1 562 . 5 1 1 A 51 51 ILE H H 51 8.451 8.276 0.175 1
1 563 . 5 1 1 A 51 51 ILE HA H 51 3.795 3.941 -0.146 1
1 573 . 5 1 1 A 51 51 ILE C C 51 177.706 177.820 -0.114 1
1 574 . 5 1 1 A 51 51 ILE CA C 51 66.329 65.079 1.250 1
1 575 . 5 1 1 A 51 51 ILE CB C 51 38.715 37.765 0.950 1
1 579 . 5 1 1 A 51 51 ILE N N 51 122.516 122.109 0.407 1
1 580 . 5 1 1 A 52 52 ASP H H 52 9.078 8.814 0.264 1
1 581 . 5 1 1 A 52 52 ASP HA H 52 4.561 4.567 -0.006 1
1 584 . 5 1 1 A 52 52 ASP C C 52 180.085 178.328 1.757 1
1 585 . 5 1 1 A 52 52 ASP CA C 52 58.249 57.822 0.427 1
1 586 . 5 1 1 A 52 52 ASP CB C 52 40.908 41.874 -0.966 1
1 587 . 5 1 1 A 52 52 ASP N N 52 121.201 121.242 -0.041 1
1 588 . 5 1 1 A 53 53 SER H H 53 8.298 7.770 0.528 1
1 589 . 5 1 1 A 53 53 SER HA H 53 4.362 4.249 0.113 1
1 592 . 5 1 1 A 53 53 SER C C 53 175.934 176.843 -0.909 1
1 593 . 5 1 1 A 53 53 SER CA C 53 61.928 61.324 0.604 1
1 594 . 5 1 1 A 53 53 SER CB C 53 62.974 63.107 -0.133 1
1 595 . 5 1 1 A 53 53 SER N N 53 114.616 113.609 1.007 1
1 596 . 5 1 1 A 54 54 TRP H H 54 8.315 8.194 0.121 1
1 597 . 5 1 1 A 54 54 TRP HA H 54 3.993 4.304 -0.311 1
1 606 . 5 1 1 A 54 54 TRP C C 54 179.453 178.063 1.390 1
1 607 . 5 1 1 A 54 54 TRP CA C 54 63.191 61.254 1.937 1
1 608 . 5 1 1 A 54 54 TRP CB C 54 28.777 30.482 -1.705 1
1 614 . 5 1 1 A 54 54 TRP N N 54 123.444 124.188 -0.744 1
1 616 . 5 1 1 A 55 55 PHE H H 55 9.110 8.118 0.992 1
1 617 . 5 1 1 A 55 55 PHE HA H 55 3.880 4.121 -0.241 1
1 625 . 5 1 1 A 55 55 PHE C C 55 178.119 178.264 -0.145 1
1 626 . 5 1 1 A 55 55 PHE CA C 55 63.563 61.507 2.056 1
1 627 . 5 1 1 A 55 55 PHE CB C 55 39.721 39.047 0.674 1
1 633 . 5 1 1 A 55 55 PHE N N 55 119.065 118.414 0.651 1
1 634 . 5 1 1 A 56 56 SER H H 56 8.330 8.351 -0.021 1
1 635 . 5 1 1 A 56 56 SER HA H 56 4.173 4.284 -0.111 1
1 638 . 5 1 1 A 56 56 SER C C 56 177.851 175.526 2.325 1
1 639 . 5 1 1 A 56 56 SER CA C 56 61.958 61.120 0.838 1
1 640 . 5 1 1 A 56 56 SER CB C 56 62.727 62.706 0.021 1
1 641 . 5 1 1 A 56 56 SER N N 56 113.028 114.658 -1.630 1
1 642 . 5 1 1 A 57 57 GLU H H 57 8.070 7.805 0.265 1
1 643 . 5 1 1 A 57 57 GLU HA H 57 3.922 4.250 -0.328 1
1 648 . 5 1 1 A 57 57 GLU C C 57 178.895 178.351 0.544 1
1 649 . 5 1 1 A 57 57 GLU CA C 57 58.629 57.193 1.436 1
1 650 . 5 1 1 A 57 57 GLU CB C 57 29.107 30.062 -0.955 1
1 652 . 5 1 1 A 57 57 GLU N N 57 119.996 119.617 0.379 1
1 653 . 5 1 1 A 58 58 ARG H H 58 8.048 7.686 0.362 1
1 654 . 5 1 1 A 58 58 ARG HA H 58 3.489 3.651 -0.162 1
1 662 . 5 1 1 A 58 58 ARG C C 58 179.186 178.164 1.022 1
1 663 . 5 1 1 A 58 58 ARG CA C 58 56.770 58.658 -1.888 1
1 664 . 5 1 1 A 58 58 ARG CB C 58 28.145 29.312 -1.167 1
1 667 . 5 1 1 A 58 58 ARG N N 58 122.160 120.827 1.333 1
1 669 . 5 1 1 A 59 59 ARG H H 59 8.093 8.059 0.034 1
1 670 . 5 1 1 A 59 59 ARG HA H 59 4.212 4.192 0.020 1
1 677 . 5 1 1 A 59 59 ARG C C 59 178.458 177.748 0.710 1
1 678 . 5 1 1 A 59 59 ARG CA C 59 60.019 58.955 1.064 1
1 679 . 5 1 1 A 59 59 ARG CB C 59 31.689 30.253 1.436 1
1 682 . 5 1 1 A 59 59 ARG N N 59 116.818 117.916 -1.098 1
1 683 . 5 1 1 A 60 60 LYS H H 60 7.418 7.980 -0.562 1
1 684 . 5 1 1 A 60 60 LYS HA H 60 4.154 4.062 0.092 1
1 693 . 5 1 1 A 60 60 LYS C C 60 177.803 178.554 -0.751 1
1 694 . 5 1 1 A 60 60 LYS CA C 60 58.327 59.103 -0.776 1
1 695 . 5 1 1 A 60 60 LYS CB C 60 32.651 31.939 0.712 1
1 699 . 5 1 1 A 60 60 LYS N N 60 117.893 118.047 -0.154 1
1 700 . 5 1 1 A 61 61 LYS H H 61 7.510 7.705 -0.195 1
1 701 . 5 1 1 A 61 61 LYS HA H 61 4.177 3.936 0.241 1
1 710 . 5 1 1 A 61 61 LYS C C 61 177.317 179.481 -2.164 1
1 711 . 5 1 1 A 61 61 LYS CA C 61 57.516 59.168 -1.652 1
1 712 . 5 1 1 A 61 61 LYS CB C 61 32.809 32.500 0.309 1
1 716 . 5 1 1 A 61 61 LYS N N 61 119.359 119.172 0.187 1
1 717 . 5 1 1 A 62 62 VAL H H 62 7.805 7.894 -0.089 1
1 718 . 5 1 1 A 62 62 VAL HA H 62 4.013 3.615 0.398 1
1 726 . 5 1 1 A 62 62 VAL C C 62 176.784 178.340 -1.556 1
1 727 . 5 1 1 A 62 62 VAL CA C 62 63.755 66.730 -2.975 1
1 728 . 5 1 1 A 62 62 VAL CB C 62 32.365 31.448 0.917 1
1 731 . 5 1 1 A 62 62 VAL N N 62 119.337 120.249 -0.912 1
1 732 . 5 1 1 A 63 63 ASN H H 63 8.282 8.150 0.132 1
1 733 . 5 1 1 A 63 63 ASN HA H 63 4.700 4.456 0.244 1
1 738 . 5 1 1 A 63 63 ASN C C 63 175.594 176.774 -1.180 1
1 739 . 5 1 1 A 63 63 ASN CA C 63 53.962 56.042 -2.080 1
1 740 . 5 1 1 A 63 63 ASN CB C 63 38.913 38.689 0.224 1
1 741 . 5 1 1 A 63 63 ASN N N 63 120.443 118.880 1.563 1
1 743 . 5 1 1 A 64 64 ALA H H 64 8.225 7.213 1.012 1
1 744 . 5 1 1 A 64 64 ALA HA H 64 4.290 4.417 -0.127 1
1 748 . 5 1 1 A 64 64 ALA C C 64 178.312 176.663 1.649 1
1 749 . 5 1 1 A 64 64 ALA CA C 64 53.319 51.253 2.066 1
1 750 . 5 1 1 A 64 64 ALA CB C 64 19.055 18.657 0.398 1
1 751 . 5 1 1 A 64 64 ALA N N 64 123.747 118.164 5.583 1
1 752 . 5 1 1 A 65 65 GLU H H 65 8.262 7.847 0.415 1
1 753 . 5 1 1 A 65 65 GLU HA H 65 4.233 4.072 0.161 1
1 758 . 5 1 1 A 65 65 GLU C C 65 177.244 177.200 0.044 1
1 759 . 5 1 1 A 65 65 GLU CA C 65 57.269 56.415 0.854 1
1 760 . 5 1 1 A 65 65 GLU CB C 65 30.114 30.262 -0.148 1
1 762 . 5 1 1 A 65 65 GLU N N 65 118.780 119.826 -1.046 1
1 763 . 5 1 1 A 66 66 GLU H H 66 8.327 9.022 -0.695 1
1 764 . 5 1 1 A 66 66 GLU HA H 66 4.301 3.922 0.379 1
1 769 . 5 1 1 A 66 66 GLU C C 66 177.244 176.158 1.086 1
1 770 . 5 1 1 A 66 66 GLU CA C 66 57.197 57.374 -0.177 1
1 771 . 5 1 1 A 66 66 GLU CB C 66 30.227 28.636 1.591 1
1 773 . 5 1 1 A 66 66 GLU N N 66 120.955 124.566 -3.611 1
1 774 . 5 1 1 A 67 67 THR H H 67 8.135 7.857 0.278 1
1 775 . 5 1 1 A 67 67 THR HA H 67 4.280 4.585 -0.305 1
1 780 . 5 1 1 A 67 67 THR C C 67 174.816 173.520 1.296 1
1 781 . 5 1 1 A 67 67 THR CA C 67 62.615 61.469 1.146 1
1 782 . 5 1 1 A 67 67 THR CB C 67 69.648 69.086 0.562 1
1 784 . 5 1 1 A 67 67 THR N N 67 114.856 113.413 1.443 1
1 785 . 5 1 1 A 68 68 LYS H H 68 8.202 8.757 -0.555 1
1 786 . 5 1 1 A 68 68 LYS HA H 68 4.327 4.757 -0.430 1
1 795 . 5 1 1 A 68 68 LYS C C 68 176.637 175.928 0.709 1
1 796 . 5 1 1 A 68 68 LYS CA C 68 56.599 56.248 0.351 1
1 797 . 5 1 1 A 68 68 LYS CB C 68 32.898 32.942 -0.044 1
1 801 . 5 1 1 A 68 68 LYS N N 68 123.462 127.879 -4.417 1
1 802 . 5 1 1 A 69 69 LYS H H 69 8.300 8.646 -0.346 1
1 803 . 5 1 1 A 69 69 LYS HA H 69 4.375 4.950 -0.575 1
1 812 . 5 1 1 A 69 69 LYS C C 69 176.661 174.370 2.291 1
1 813 . 5 1 1 A 69 69 LYS CA C 69 56.458 54.432 2.026 1
1 814 . 5 1 1 A 69 69 LYS CB C 69 33.145 36.245 -3.100 1
1 818 . 5 1 1 A 69 69 LYS N N 69 122.321 121.819 0.502 1
1 819 . 5 1 1 A 70 70 SER H H 70 8.330 8.777 -0.447 1
1 820 . 5 1 1 A 70 70 SER HA H 70 4.536 4.830 -0.294 1
1 823 . 5 1 1 A 70 70 SER C C 70 174.525 173.357 1.168 1
1 824 . 5 1 1 A 70 70 SER CA C 70 58.361 56.957 1.404 1
1 825 . 5 1 1 A 70 70 SER CB C 70 64.022 64.122 -0.100 1
1 826 . 5 1 1 A 70 70 SER N N 70 116.687 115.619 1.068 1
1 827 . 5 1 1 A 71 71 GLY H H 71 8.250 8.415 -0.165 1
1 828 . 5 1 1 A 71 71 GLY C C 71 171.782 172.139 -0.357 1
1 829 . 5 1 1 A 71 71 GLY CA C 71 44.717 45.066 -0.349 1
1 830 . 5 1 1 A 71 71 GLY N N 71 110.366 113.214 -2.848 1
1 831 . 5 1 1 A 72 72 PRO HA H 72 4.141 4.668 -0.527 1
1 832 . 5 1 1 A 74 74 SER HA H 74 4.526 4.161 0.365 1
1 835 . 5 1 1 A 74 74 SER C C 74 173.918 174.972 -1.054 1
1 836 . 5 1 1 A 74 74 SER CA C 74 58.528 60.212 -1.684 1
1 837 . 5 1 1 A 74 74 SER CB C 74 63.972 63.287 0.685 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 4.146 4.091 0.055 1
1 2 . 6 1 1 A 7 7 GLY CA C 7 44.691 44.987 -0.296 1
1 3 . 6 1 1 A 8 8 PRO HA H 8 4.512 4.623 -0.111 1
1 10 . 6 1 1 A 8 8 PRO C C 8 177.365 175.997 1.368 1
1 11 . 6 1 1 A 8 8 PRO CA C 8 63.297 62.812 0.485 1
1 12 . 6 1 1 A 8 8 PRO CB C 8 32.239 32.426 -0.187 1
1 15 . 6 1 1 A 9 9 THR H H 9 8.295 8.309 -0.014 1
1 16 . 6 1 1 A 9 9 THR HA H 9 4.271 4.946 -0.675 1
1 21 . 6 1 1 A 9 9 THR C C 9 174.452 173.933 0.519 1
1 22 . 6 1 1 A 9 9 THR CA C 9 62.276 60.319 1.957 1
1 23 . 6 1 1 A 9 9 THR CB C 9 69.790 70.414 -0.624 1
1 25 . 6 1 1 A 9 9 THR N N 9 114.885 112.837 2.048 1
1 26 . 6 1 1 A 10 10 LYS H H 10 8.284 8.540 -0.256 1
1 27 . 6 1 1 A 10 10 LYS HA H 10 4.281 4.564 -0.283 1
1 35 . 6 1 1 A 10 10 LYS C C 10 176.103 175.819 0.284 1
1 36 . 6 1 1 A 10 10 LYS CA C 10 56.316 55.526 0.790 1
1 37 . 6 1 1 A 10 10 LYS CB C 10 33.062 33.107 -0.045 1
1 41 . 6 1 1 A 10 10 LYS N N 10 123.812 122.790 1.022 1
1 42 . 6 1 1 A 11 11 TYR H H 11 8.198 9.210 -1.012 1
1 43 . 6 1 1 A 11 11 TYR HA H 11 4.569 4.785 -0.216 1
1 50 . 6 1 1 A 11 11 TYR C C 11 175.496 175.803 -0.307 1
1 51 . 6 1 1 A 11 11 TYR CA C 11 58.044 59.173 -1.129 1
1 52 . 6 1 1 A 11 11 TYR CB C 11 38.842 40.508 -1.666 1
1 57 . 6 1 1 A 11 11 TYR N N 11 121.375 117.575 3.800 1
1 58 . 6 1 1 A 12 12 LYS H H 12 8.168 7.915 0.253 1
1 59 . 6 1 1 A 12 12 LYS HA H 12 4.255 4.735 -0.480 1
1 68 . 6 1 1 A 12 12 LYS C C 12 175.861 173.930 1.931 1
1 69 . 6 1 1 A 12 12 LYS CA C 12 56.050 55.213 0.837 1
1 70 . 6 1 1 A 12 12 LYS CB C 12 33.145 35.586 -2.441 1
1 74 . 6 1 1 A 12 12 LYS N N 12 123.375 113.586 9.789 1
1 75 . 6 1 1 A 13 13 GLU H H 13 8.386 8.656 -0.270 1
1 76 . 6 1 1 A 13 13 GLU HA H 13 4.285 4.962 -0.677 1
1 81 . 6 1 1 A 13 13 GLU C C 13 176.419 176.310 0.109 1
1 82 . 6 1 1 A 13 13 GLU CA C 13 56.519 54.322 2.197 1
1 83 . 6 1 1 A 13 13 GLU CB C 13 30.261 33.703 -3.442 1
1 85 . 6 1 1 A 13 13 GLU N N 13 122.385 119.549 2.836 1
1 86 . 6 1 1 A 14 14 ARG H H 14 8.451 8.314 0.137 1
1 87 . 6 1 1 A 14 14 ARG HA H 14 4.424 4.366 0.058 1
1 94 . 6 1 1 A 14 14 ARG C C 14 175.230 176.020 -0.790 1
1 95 . 6 1 1 A 14 14 ARG CA C 14 55.188 56.392 -1.204 1
1 96 . 6 1 1 A 14 14 ARG CB C 14 31.003 31.233 -0.230 1
1 99 . 6 1 1 A 14 14 ARG N N 14 121.822 121.750 0.072 1
1 100 . 6 1 1 A 15 15 ALA H H 15 8.444 8.460 -0.016 1
1 101 . 6 1 1 A 15 15 ALA HA H 15 4.633 4.694 -0.061 1
1 105 . 6 1 1 A 15 15 ALA C C 15 176.808 177.512 -0.704 1
1 106 . 6 1 1 A 15 15 ALA CA C 15 50.852 50.477 0.375 1
1 107 . 6 1 1 A 15 15 ALA CB C 15 17.938 18.765 -0.827 1
1 108 . 6 1 1 A 15 15 ALA N N 15 125.225 123.375 1.850 1
1 109 . 6 1 1 A 16 16 PRO HA H 16 4.240 4.477 -0.237 1
1 116 . 6 1 1 A 16 16 PRO C C 16 178.993 177.421 1.572 1
1 117 . 6 1 1 A 16 16 PRO CA C 16 65.731 64.518 1.213 1
1 118 . 6 1 1 A 16 16 PRO CB C 16 31.966 31.786 0.180 1
1 121 . 6 1 1 A 17 17 GLU H H 17 9.453 8.540 0.913 1
1 122 . 6 1 1 A 17 17 GLU HA H 17 4.051 4.184 -0.133 1
1 127 . 6 1 1 A 17 17 GLU C C 17 179.550 178.860 0.690 1
1 128 . 6 1 1 A 17 17 GLU CA C 17 59.568 58.423 1.145 1
1 129 . 6 1 1 A 17 17 GLU CB C 17 28.613 30.085 -1.472 1
1 131 . 6 1 1 A 17 17 GLU N N 17 116.527 117.300 -0.773 1
1 132 . 6 1 1 A 18 18 GLN H H 18 7.529 7.892 -0.363 1
1 133 . 6 1 1 A 18 18 GLN HA H 18 4.036 4.074 -0.038 1
1 140 . 6 1 1 A 18 18 GLN C C 18 176.977 178.330 -1.353 1
1 141 . 6 1 1 A 18 18 GLN CA C 18 58.785 58.318 0.467 1
1 142 . 6 1 1 A 18 18 GLN CB C 18 28.860 28.529 0.331 1
1 144 . 6 1 1 A 18 18 GLN N N 18 119.048 120.614 -1.566 1
1 146 . 6 1 1 A 19 19 LEU H H 19 7.664 8.097 -0.433 1
1 147 . 6 1 1 A 19 19 LEU HA H 19 3.755 3.639 0.116 1
1 157 . 6 1 1 A 19 19 LEU C C 19 178.410 178.586 -0.176 1
1 158 . 6 1 1 A 19 19 LEU CA C 19 57.516 57.699 -0.183 1
1 159 . 6 1 1 A 19 19 LEU CB C 19 41.276 41.318 -0.042 1
1 163 . 6 1 1 A 19 19 LEU N N 19 117.171 120.577 -3.406 1
1 164 . 6 1 1 A 20 20 ARG H H 20 8.188 8.121 0.067 1
1 165 . 6 1 1 A 20 20 ARG HA H 20 3.998 3.952 0.046 1
1 172 . 6 1 1 A 20 20 ARG C C 20 178.993 178.204 0.789 1
1 173 . 6 1 1 A 20 20 ARG CA C 20 59.333 59.589 -0.256 1
1 174 . 6 1 1 A 20 20 ARG CB C 20 30.096 30.085 0.011 1
1 177 . 6 1 1 A 20 20 ARG N N 20 117.090 119.599 -2.509 1
1 178 . 6 1 1 A 21 21 ALA H H 21 7.176 7.650 -0.474 1
1 179 . 6 1 1 A 21 21 ALA HA H 21 4.092 4.026 0.066 1
1 183 . 6 1 1 A 21 21 ALA C C 21 180.571 179.917 0.654 1
1 184 . 6 1 1 A 21 21 ALA CA C 21 54.941 54.855 0.086 1
1 185 . 6 1 1 A 21 21 ALA CB C 21 17.858 18.379 -0.521 1
1 186 . 6 1 1 A 21 21 ALA N N 21 121.201 121.317 -0.116 1
1 187 . 6 1 1 A 22 22 LEU H H 22 7.528 7.917 -0.389 1
1 188 . 6 1 1 A 22 22 LEU HA H 22 3.576 3.706 -0.130 1
1 198 . 6 1 1 A 22 22 LEU C C 22 177.779 178.564 -0.785 1
1 199 . 6 1 1 A 22 22 LEU CA C 22 58.185 57.743 0.442 1
1 200 . 6 1 1 A 22 22 LEU CB C 22 38.666 40.882 -2.216 1
1 204 . 6 1 1 A 22 22 LEU N N 22 119.669 118.398 1.271 1
1 205 . 6 1 1 A 23 23 GLU H H 23 8.516 8.455 0.061 1
1 206 . 6 1 1 A 23 23 GLU HA H 23 4.221 4.197 0.024 1
1 211 . 6 1 1 A 23 23 GLU C C 23 180.352 178.972 1.380 1
1 212 . 6 1 1 A 23 23 GLU CA C 23 59.489 60.182 -0.693 1
1 213 . 6 1 1 A 23 23 GLU CB C 23 29.317 29.451 -0.134 1
1 215 . 6 1 1 A 23 23 GLU N N 23 117.420 117.611 -0.191 1
1 216 . 6 1 1 A 24 24 SER H H 24 8.209 7.523 0.686 1
1 217 . 6 1 1 A 24 24 SER HA H 24 4.303 4.182 0.121 1
1 220 . 6 1 1 A 24 24 SER C C 24 176.710 177.358 -0.648 1
1 221 . 6 1 1 A 24 24 SER CA C 24 61.852 61.834 0.018 1
1 222 . 6 1 1 A 24 24 SER CB C 24 62.767 63.034 -0.267 1
1 223 . 6 1 1 A 24 24 SER N N 24 114.551 115.934 -1.383 1
1 224 . 6 1 1 A 25 25 SER H H 25 7.396 7.948 -0.552 1
1 225 . 6 1 1 A 25 25 SER HA H 25 4.388 4.299 0.089 1
1 228 . 6 1 1 A 25 25 SER C C 25 177.415 177.007 0.408 1
1 229 . 6 1 1 A 25 25 SER CA C 25 61.428 61.582 -0.154 1
1 230 . 6 1 1 A 25 25 SER CB C 25 63.319 62.816 0.503 1
1 231 . 6 1 1 A 25 25 SER N N 25 115.081 115.770 -0.689 1
1 232 . 6 1 1 A 26 26 PHE H H 26 9.019 9.123 -0.104 1
1 233 . 6 1 1 A 26 26 PHE HA H 26 4.201 4.544 -0.343 1
1 241 . 6 1 1 A 26 26 PHE C C 26 176.419 176.937 -0.518 1
1 242 . 6 1 1 A 26 26 PHE CA C 26 62.239 62.416 -0.177 1
1 243 . 6 1 1 A 26 26 PHE CB C 26 39.437 39.348 0.089 1
1 249 . 6 1 1 A 26 26 PHE N N 26 120.609 123.457 -2.848 1
1 250 . 6 1 1 A 27 27 ALA H H 27 8.045 8.054 -0.009 1
1 251 . 6 1 1 A 27 27 ALA HA H 27 4.062 3.986 0.076 1
1 255 . 6 1 1 A 27 27 ALA C C 27 179.478 179.518 -0.040 1
1 256 . 6 1 1 A 27 27 ALA CA C 27 53.940 55.149 -1.209 1
1 257 . 6 1 1 A 27 27 ALA CB C 27 18.395 18.480 -0.085 1
1 258 . 6 1 1 A 27 27 ALA N N 27 116.245 121.084 -4.839 1
1 259 . 6 1 1 A 28 28 GLN H H 28 7.416 8.100 -0.684 1
1 260 . 6 1 1 A 28 28 GLN HA H 28 4.198 4.273 -0.075 1
1 267 . 6 1 1 A 28 28 GLN C C 28 177.124 176.114 1.010 1
1 268 . 6 1 1 A 28 28 GLN CA C 28 57.586 57.578 0.008 1
1 269 . 6 1 1 A 28 28 GLN CB C 28 29.250 29.723 -0.473 1
1 271 . 6 1 1 A 28 28 GLN N N 28 115.857 114.490 1.367 1
1 273 . 6 1 1 A 29 29 ASN H H 29 8.006 7.703 0.303 1
1 274 . 6 1 1 A 29 29 ASN HA H 29 4.780 4.976 -0.196 1
1 279 . 6 1 1 A 29 29 ASN C C 29 172.728 174.859 -2.131 1
1 280 . 6 1 1 A 29 29 ASN CA C 29 51.028 50.764 0.264 1
1 281 . 6 1 1 A 29 29 ASN CB C 29 39.656 40.919 -1.263 1
1 282 . 6 1 1 A 29 29 ASN N N 29 114.892 114.279 0.613 1
1 284 . 6 1 1 A 30 30 PRO HA H 30 4.218 4.921 -0.703 1
1 291 . 6 1 1 A 30 30 PRO C C 30 174.525 176.614 -2.089 1
1 292 . 6 1 1 A 30 30 PRO CA C 30 63.827 64.921 -1.094 1
1 293 . 6 1 1 A 30 30 PRO CB C 30 33.212 32.260 0.952 1
1 296 . 6 1 1 A 31 31 LEU H H 31 7.568 8.003 -0.435 1
1 297 . 6 1 1 A 31 31 LEU HA H 31 4.709 4.491 0.218 1
1 307 . 6 1 1 A 31 31 LEU C C 31 172.607 173.746 -1.139 1
1 308 . 6 1 1 A 31 31 LEU CA C 31 51.944 51.803 0.141 1
1 309 . 6 1 1 A 31 31 LEU CB C 31 42.822 42.755 0.067 1
1 313 . 6 1 1 A 31 31 LEU N N 31 120.819 118.143 2.676 1
1 314 . 6 1 1 A 32 32 PRO HA H 32 4.073 4.504 -0.431 1
1 321 . 6 1 1 A 32 32 PRO C C 32 177.293 176.963 0.330 1
1 322 . 6 1 1 A 32 32 PRO CA C 32 62.627 62.258 0.369 1
1 323 . 6 1 1 A 32 32 PRO CB C 32 31.663 32.206 -0.543 1
1 326 . 6 1 1 A 33 33 LEU H H 33 8.254 8.419 -0.165 1
1 327 . 6 1 1 A 33 33 LEU HA H 33 4.410 4.616 -0.206 1
1 337 . 6 1 1 A 33 33 LEU C C 33 178.312 177.792 0.520 1
1 338 . 6 1 1 A 33 33 LEU CA C 33 53.742 53.861 -0.119 1
1 339 . 6 1 1 A 33 33 LEU CB C 33 42.620 42.570 0.050 1
1 343 . 6 1 1 A 33 33 LEU N N 33 119.030 121.795 -2.765 1
1 344 . 6 1 1 A 34 34 ASP H H 34 8.532 8.995 -0.463 1
1 345 . 6 1 1 A 34 34 ASP HA H 34 4.187 4.336 -0.149 1
1 348 . 6 1 1 A 34 34 ASP C C 34 177.731 178.318 -0.587 1
1 349 . 6 1 1 A 34 34 ASP CA C 34 58.678 57.140 1.538 1
1 350 . 6 1 1 A 34 34 ASP CB C 34 40.871 39.919 0.952 1
1 351 . 6 1 1 A 34 34 ASP N N 34 120.283 121.062 -0.779 1
1 352 . 6 1 1 A 35 35 GLU H H 35 8.841 8.146 0.695 1
1 353 . 6 1 1 A 35 35 GLU HA H 35 4.135 4.020 0.115 1
1 358 . 6 1 1 A 35 35 GLU C C 35 178.919 178.664 0.255 1
1 359 . 6 1 1 A 35 35 GLU CA C 35 59.801 59.529 0.272 1
1 360 . 6 1 1 A 35 35 GLU CB C 35 28.860 29.371 -0.511 1
1 362 . 6 1 1 A 35 35 GLU N N 35 116.076 119.297 -3.221 1
1 363 . 6 1 1 A 36 36 GLU H H 36 7.242 8.187 -0.945 1
1 364 . 6 1 1 A 36 36 GLU HA H 36 4.762 4.038 0.724 1
1 369 . 6 1 1 A 36 36 GLU C C 36 178.264 178.396 -0.132 1
1 370 . 6 1 1 A 36 36 GLU CA C 36 57.303 58.986 -1.683 1
1 371 . 6 1 1 A 36 36 GLU CB C 36 28.799 29.605 -0.806 1
1 373 . 6 1 1 A 36 36 GLU N N 36 121.997 120.365 1.632 1
1 374 . 6 1 1 A 37 37 LEU H H 37 7.778 7.840 -0.062 1
1 375 . 6 1 1 A 37 37 LEU HA H 37 3.956 4.200 -0.244 1
1 385 . 6 1 1 A 37 37 LEU C C 37 179.381 178.930 0.451 1
1 386 . 6 1 1 A 37 37 LEU CA C 37 58.608 56.935 1.673 1
1 387 . 6 1 1 A 37 37 LEU CB C 37 41.227 41.644 -0.417 1
1 391 . 6 1 1 A 37 37 LEU N N 37 120.816 119.753 1.063 1
1 392 . 6 1 1 A 38 38 ASP H H 38 8.446 8.594 -0.148 1
1 393 . 6 1 1 A 38 38 ASP HA H 38 4.455 4.414 0.041 1
1 396 . 6 1 1 A 38 38 ASP C C 38 179.162 178.493 0.669 1
1 397 . 6 1 1 A 38 38 ASP CA C 38 57.550 57.308 0.242 1
1 398 . 6 1 1 A 38 38 ASP CB C 38 40.313 41.396 -1.083 1
1 399 . 6 1 1 A 38 38 ASP N N 38 118.274 119.747 -1.473 1
1 400 . 6 1 1 A 39 39 ARG H H 39 7.964 7.603 0.361 1
1 401 . 6 1 1 A 39 39 ARG HA H 39 4.066 4.099 -0.033 1
1 409 . 6 1 1 A 39 39 ARG C C 39 179.867 178.878 0.989 1
1 410 . 6 1 1 A 39 39 ARG CA C 39 59.801 58.805 0.996 1
1 411 . 6 1 1 A 39 39 ARG CB C 39 29.849 29.937 -0.088 1
1 414 . 6 1 1 A 39 39 ARG N N 39 123.855 120.268 3.587 1
1 416 . 6 1 1 A 40 40 LEU H H 40 8.686 7.856 0.830 1
1 417 . 6 1 1 A 40 40 LEU HA H 40 4.045 3.905 0.140 1
1 427 . 6 1 1 A 40 40 LEU C C 40 180.716 178.879 1.837 1
1 428 . 6 1 1 A 40 40 LEU CA C 40 57.782 57.834 -0.052 1
1 429 . 6 1 1 A 40 40 LEU CB C 40 43.153 41.474 1.679 1
1 433 . 6 1 1 A 40 40 LEU N N 40 118.936 119.873 -0.937 1
1 434 . 6 1 1 A 41 41 ARG H H 41 8.500 8.520 -0.020 1
1 435 . 6 1 1 A 41 41 ARG HA H 41 4.078 4.174 -0.096 1
1 442 . 6 1 1 A 41 41 ARG C C 41 178.702 178.815 -0.113 1
1 443 . 6 1 1 A 41 41 ARG CA C 41 60.336 60.062 0.274 1
1 444 . 6 1 1 A 41 41 ARG CB C 41 29.767 29.726 0.041 1
1 447 . 6 1 1 A 41 41 ARG N N 41 125.386 118.256 7.130 1
1 448 . 6 1 1 A 42 42 SER H H 42 7.762 7.909 -0.147 1
1 449 . 6 1 1 A 42 42 SER HA H 42 4.238 4.078 0.160 1
1 452 . 6 1 1 A 42 42 SER C C 42 176.030 176.347 -0.317 1
1 453 . 6 1 1 A 42 42 SER CA C 42 61.535 61.967 -0.432 1
1 454 . 6 1 1 A 42 42 SER CB C 42 62.892 62.869 0.023 1
1 455 . 6 1 1 A 42 42 SER N N 42 114.493 116.285 -1.792 1
1 456 . 6 1 1 A 43 43 GLU H H 43 8.031 8.033 -0.002 1
1 457 . 6 1 1 A 43 43 GLU HA H 43 4.220 4.196 0.024 1
1 462 . 6 1 1 A 43 43 GLU C C 43 178.264 178.941 -0.677 1
1 463 . 6 1 1 A 43 43 GLU CA C 43 58.855 58.962 -0.107 1
1 464 . 6 1 1 A 43 43 GLU CB C 43 30.959 30.295 0.664 1
1 466 . 6 1 1 A 43 43 GLU N N 43 118.451 121.458 -3.007 1
1 467 . 6 1 1 A 44 44 THR H H 44 8.387 8.367 0.020 1
1 468 . 6 1 1 A 44 44 THR HA H 44 4.333 4.125 0.208 1
1 473 . 6 1 1 A 44 44 THR C C 44 175.787 174.857 0.930 1
1 474 . 6 1 1 A 44 44 THR CA C 44 63.333 63.854 -0.521 1
1 475 . 6 1 1 A 44 44 THR CB C 44 72.112 70.022 2.090 1
1 477 . 6 1 1 A 44 44 THR N N 44 105.689 111.585 -5.896 1
1 478 . 6 1 1 A 45 45 LYS H H 45 7.962 8.200 -0.238 1
1 479 . 6 1 1 A 45 45 LYS HA H 45 4.042 4.182 -0.140 1
1 488 . 6 1 1 A 45 45 LYS C C 45 176.298 174.904 1.394 1
1 489 . 6 1 1 A 45 45 LYS CA C 45 57.934 57.368 0.566 1
1 490 . 6 1 1 A 45 45 LYS CB C 45 29.024 29.376 -0.352 1
1 494 . 6 1 1 A 45 45 LYS N N 45 115.260 116.892 -1.632 1
1 495 . 6 1 1 A 46 46 MET H H 46 7.750 7.463 0.287 1
1 496 . 6 1 1 A 46 46 MET HA H 46 4.498 5.063 -0.565 1
1 504 . 6 1 1 A 46 46 MET C C 46 176.127 175.118 1.009 1
1 505 . 6 1 1 A 46 46 MET CA C 46 55.788 53.962 1.826 1
1 506 . 6 1 1 A 46 46 MET CB C 46 36.233 37.387 -1.154 1
1 509 . 6 1 1 A 46 46 MET N N 46 119.026 116.222 2.804 1
1 510 . 6 1 1 A 47 47 THR H H 47 8.712 8.413 0.299 1
1 511 . 6 1 1 A 47 47 THR HA H 47 4.376 4.828 -0.452 1
1 516 . 6 1 1 A 47 47 THR C C 47 175.812 176.339 -0.527 1
1 517 . 6 1 1 A 47 47 THR CA C 47 61.011 59.899 1.112 1
1 518 . 6 1 1 A 47 47 THR CB C 47 70.885 71.925 -1.040 1
1 520 . 6 1 1 A 47 47 THR N N 47 109.504 111.684 -2.180 1
1 521 . 6 1 1 A 48 48 ARG H H 48 9.074 8.917 0.157 1
1 522 . 6 1 1 A 48 48 ARG HA H 48 3.910 4.001 -0.091 1
1 530 . 6 1 1 A 48 48 ARG C C 48 178.119 178.184 -0.065 1
1 531 . 6 1 1 A 48 48 ARG CA C 48 59.242 60.195 -0.953 1
1 532 . 6 1 1 A 48 48 ARG CB C 48 29.189 30.241 -1.052 1
1 535 . 6 1 1 A 48 48 ARG N N 48 120.559 121.750 -1.191 1
1 537 . 6 1 1 A 49 49 ARG H H 49 8.384 8.317 0.067 1
1 538 . 6 1 1 A 49 49 ARG HA H 49 4.237 4.072 0.165 1
1 545 . 6 1 1 A 49 49 ARG C C 49 179.478 178.501 0.977 1
1 546 . 6 1 1 A 49 49 ARG CA C 49 59.419 59.032 0.387 1
1 547 . 6 1 1 A 49 49 ARG CB C 49 30.014 30.064 -0.050 1
1 550 . 6 1 1 A 49 49 ARG N N 49 117.267 118.401 -1.134 1
1 551 . 6 1 1 A 50 50 GLU H H 50 7.869 7.549 0.320 1
1 552 . 6 1 1 A 50 50 GLU HA H 50 4.073 4.126 -0.053 1
1 557 . 6 1 1 A 50 50 GLU C C 50 180.036 179.486 0.550 1
1 558 . 6 1 1 A 50 50 GLU CA C 50 59.419 58.881 0.538 1
1 559 . 6 1 1 A 50 50 GLU CB C 50 30.672 30.139 0.533 1
1 561 . 6 1 1 A 50 50 GLU N N 50 119.568 118.959 0.609 1
1 562 . 6 1 1 A 51 51 ILE H H 51 8.451 8.542 -0.091 1
1 563 . 6 1 1 A 51 51 ILE HA H 51 3.795 3.653 0.142 1
1 573 . 6 1 1 A 51 51 ILE C C 51 177.706 177.874 -0.168 1
1 574 . 6 1 1 A 51 51 ILE CA C 51 66.329 65.760 0.569 1
1 575 . 6 1 1 A 51 51 ILE CB C 51 38.715 38.222 0.493 1
1 579 . 6 1 1 A 51 51 ILE N N 51 122.516 120.899 1.617 1
1 580 . 6 1 1 A 52 52 ASP H H 52 9.078 8.735 0.343 1
1 581 . 6 1 1 A 52 52 ASP HA H 52 4.561 4.558 0.003 1
1 584 . 6 1 1 A 52 52 ASP C C 52 180.085 178.700 1.385 1
1 585 . 6 1 1 A 52 52 ASP CA C 52 58.249 57.764 0.485 1
1 586 . 6 1 1 A 52 52 ASP CB C 52 40.908 41.543 -0.635 1
1 587 . 6 1 1 A 52 52 ASP N N 52 121.201 121.118 0.083 1
1 588 . 6 1 1 A 53 53 SER H H 53 8.298 7.869 0.429 1
1 589 . 6 1 1 A 53 53 SER HA H 53 4.362 4.214 0.148 1
1 592 . 6 1 1 A 53 53 SER C C 53 175.934 175.802 0.132 1
1 593 . 6 1 1 A 53 53 SER CA C 53 61.928 62.524 -0.596 1
1 594 . 6 1 1 A 53 53 SER CB C 53 62.974 63.111 -0.137 1
1 595 . 6 1 1 A 53 53 SER N N 53 114.616 116.038 -1.422 1
1 596 . 6 1 1 A 54 54 TRP H H 54 8.315 8.039 0.276 1
1 597 . 6 1 1 A 54 54 TRP HA H 54 3.993 4.331 -0.338 1
1 606 . 6 1 1 A 54 54 TRP C C 54 179.453 178.266 1.187 1
1 607 . 6 1 1 A 54 54 TRP CA C 54 63.191 61.142 2.049 1
1 608 . 6 1 1 A 54 54 TRP CB C 54 28.777 29.336 -0.559 1
1 614 . 6 1 1 A 54 54 TRP N N 54 123.444 124.119 -0.675 1
1 616 . 6 1 1 A 55 55 PHE H H 55 9.110 7.901 1.209 1
1 617 . 6 1 1 A 55 55 PHE HA H 55 3.880 4.189 -0.309 1
1 625 . 6 1 1 A 55 55 PHE C C 55 178.119 178.777 -0.658 1
1 626 . 6 1 1 A 55 55 PHE CA C 55 63.563 60.855 2.708 1
1 627 . 6 1 1 A 55 55 PHE CB C 55 39.721 39.201 0.520 1
1 633 . 6 1 1 A 55 55 PHE N N 55 119.065 118.267 0.798 1
1 634 . 6 1 1 A 56 56 SER H H 56 8.330 8.473 -0.143 1
1 635 . 6 1 1 A 56 56 SER HA H 56 4.173 4.370 -0.197 1
1 638 . 6 1 1 A 56 56 SER C C 56 177.851 175.246 2.605 1
1 639 . 6 1 1 A 56 56 SER CA C 56 61.958 62.023 -0.065 1
1 640 . 6 1 1 A 56 56 SER CB C 56 62.727 63.071 -0.344 1
1 641 . 6 1 1 A 56 56 SER N N 56 113.028 115.813 -2.785 1
1 642 . 6 1 1 A 57 57 GLU H H 57 8.070 7.652 0.418 1
1 643 . 6 1 1 A 57 57 GLU HA H 57 3.922 4.261 -0.339 1
1 648 . 6 1 1 A 57 57 GLU C C 57 178.895 178.445 0.450 1
1 649 . 6 1 1 A 57 57 GLU CA C 57 58.629 57.477 1.152 1
1 650 . 6 1 1 A 57 57 GLU CB C 57 29.107 30.349 -1.242 1
1 652 . 6 1 1 A 57 57 GLU N N 57 119.996 119.290 0.706 1
1 653 . 6 1 1 A 58 58 ARG H H 58 8.048 7.797 0.251 1
1 654 . 6 1 1 A 58 58 ARG HA H 58 3.489 3.623 -0.134 1
1 662 . 6 1 1 A 58 58 ARG C C 58 179.186 178.317 0.869 1
1 663 . 6 1 1 A 58 58 ARG CA C 58 56.770 58.783 -2.013 1
1 664 . 6 1 1 A 58 58 ARG CB C 58 28.145 28.777 -0.632 1
1 667 . 6 1 1 A 58 58 ARG N N 58 122.160 120.536 1.624 1
1 669 . 6 1 1 A 59 59 ARG H H 59 8.093 8.245 -0.152 1
1 670 . 6 1 1 A 59 59 ARG HA H 59 4.212 4.191 0.021 1
1 677 . 6 1 1 A 59 59 ARG C C 59 178.458 177.391 1.067 1
1 678 . 6 1 1 A 59 59 ARG CA C 59 60.019 58.866 1.153 1
1 679 . 6 1 1 A 59 59 ARG CB C 59 31.689 29.941 1.748 1
1 682 . 6 1 1 A 59 59 ARG N N 59 116.818 117.540 -0.722 1
1 683 . 6 1 1 A 60 60 LYS H H 60 7.418 7.981 -0.563 1
1 684 . 6 1 1 A 60 60 LYS HA H 60 4.154 4.109 0.045 1
1 693 . 6 1 1 A 60 60 LYS C C 60 177.803 178.494 -0.691 1
1 694 . 6 1 1 A 60 60 LYS CA C 60 58.327 58.764 -0.437 1
1 695 . 6 1 1 A 60 60 LYS CB C 60 32.651 32.392 0.259 1
1 699 . 6 1 1 A 60 60 LYS N N 60 117.893 118.409 -0.516 1
1 700 . 6 1 1 A 61 61 LYS H H 61 7.510 8.069 -0.559 1
1 701 . 6 1 1 A 61 61 LYS HA H 61 4.177 3.991 0.186 1
1 710 . 6 1 1 A 61 61 LYS C C 61 177.317 178.879 -1.562 1
1 711 . 6 1 1 A 61 61 LYS CA C 61 57.516 59.076 -1.560 1
1 712 . 6 1 1 A 61 61 LYS CB C 61 32.809 32.396 0.413 1
1 716 . 6 1 1 A 61 61 LYS N N 61 119.359 119.282 0.077 1
1 717 . 6 1 1 A 62 62 VAL H H 62 7.805 8.050 -0.245 1
1 718 . 6 1 1 A 62 62 VAL HA H 62 4.013 3.631 0.382 1
1 726 . 6 1 1 A 62 62 VAL C C 62 176.784 178.358 -1.574 1
1 727 . 6 1 1 A 62 62 VAL CA C 62 63.755 66.446 -2.691 1
1 728 . 6 1 1 A 62 62 VAL CB C 62 32.365 31.503 0.862 1
1 731 . 6 1 1 A 62 62 VAL N N 62 119.337 120.173 -0.836 1
1 732 . 6 1 1 A 63 63 ASN H H 63 8.282 8.233 0.049 1
1 733 . 6 1 1 A 63 63 ASN HA H 63 4.700 4.569 0.131 1
1 738 . 6 1 1 A 63 63 ASN C C 63 175.594 176.739 -1.145 1
1 739 . 6 1 1 A 63 63 ASN CA C 63 53.962 55.844 -1.882 1
1 740 . 6 1 1 A 63 63 ASN CB C 63 38.913 38.630 0.283 1
1 741 . 6 1 1 A 63 63 ASN N N 63 120.443 118.881 1.562 1
1 743 . 6 1 1 A 64 64 ALA H H 64 8.225 7.297 0.928 1
1 744 . 6 1 1 A 64 64 ALA HA H 64 4.290 4.368 -0.078 1
1 748 . 6 1 1 A 64 64 ALA C C 64 178.312 176.254 2.058 1
1 749 . 6 1 1 A 64 64 ALA CA C 64 53.319 52.215 1.104 1
1 750 . 6 1 1 A 64 64 ALA CB C 64 19.055 18.789 0.266 1
1 751 . 6 1 1 A 64 64 ALA N N 64 123.747 119.573 4.174 1
1 752 . 6 1 1 A 65 65 GLU H H 65 8.262 7.734 0.528 1
1 753 . 6 1 1 A 65 65 GLU HA H 65 4.233 4.713 -0.480 1
1 758 . 6 1 1 A 65 65 GLU C C 65 177.244 175.633 1.611 1
1 759 . 6 1 1 A 65 65 GLU CA C 65 57.269 55.155 2.114 1
1 760 . 6 1 1 A 65 65 GLU CB C 65 30.114 32.832 -2.718 1
1 762 . 6 1 1 A 65 65 GLU N N 65 118.780 117.336 1.444 1
1 763 . 6 1 1 A 66 66 GLU H H 66 8.327 8.802 -0.475 1
1 764 . 6 1 1 A 66 66 GLU HA H 66 4.301 3.817 0.484 1
1 769 . 6 1 1 A 66 66 GLU C C 66 177.244 174.572 2.672 1
1 770 . 6 1 1 A 66 66 GLU CA C 66 57.197 57.308 -0.111 1
1 771 . 6 1 1 A 66 66 GLU CB C 66 30.227 28.201 2.026 1
1 773 . 6 1 1 A 66 66 GLU N N 66 120.955 117.761 3.194 1
1 774 . 6 1 1 A 67 67 THR H H 67 8.135 7.697 0.438 1
1 775 . 6 1 1 A 67 67 THR HA H 67 4.280 4.810 -0.530 1
1 780 . 6 1 1 A 67 67 THR C C 67 174.816 173.735 1.081 1
1 781 . 6 1 1 A 67 67 THR CA C 67 62.615 60.213 2.402 1
1 782 . 6 1 1 A 67 67 THR CB C 67 69.648 71.226 -1.578 1
1 784 . 6 1 1 A 67 67 THR N N 67 114.856 112.912 1.944 1
1 785 . 6 1 1 A 68 68 LYS H H 68 8.202 8.486 -0.284 1
1 786 . 6 1 1 A 68 68 LYS HA H 68 4.327 4.313 0.014 1
1 795 . 6 1 1 A 68 68 LYS C C 68 176.637 176.390 0.247 1
1 796 . 6 1 1 A 68 68 LYS CA C 68 56.599 56.972 -0.373 1
1 797 . 6 1 1 A 68 68 LYS CB C 68 32.898 33.386 -0.488 1
1 801 . 6 1 1 A 68 68 LYS N N 68 123.462 126.109 -2.647 1
1 802 . 6 1 1 A 69 69 LYS H H 69 8.300 9.045 -0.745 1
1 803 . 6 1 1 A 69 69 LYS HA H 69 4.375 4.954 -0.579 1
1 812 . 6 1 1 A 69 69 LYS C C 69 176.661 175.284 1.377 1
1 813 . 6 1 1 A 69 69 LYS CA C 69 56.458 54.929 1.529 1
1 814 . 6 1 1 A 69 69 LYS CB C 69 33.145 34.627 -1.482 1
1 818 . 6 1 1 A 69 69 LYS N N 69 122.321 120.466 1.855 1
1 819 . 6 1 1 A 70 70 SER H H 70 8.330 8.781 -0.451 1
1 820 . 6 1 1 A 70 70 SER HA H 70 4.536 4.223 0.313 1
1 823 . 6 1 1 A 70 70 SER C C 70 174.525 174.318 0.207 1
1 824 . 6 1 1 A 70 70 SER CA C 70 58.361 59.772 -1.411 1
1 825 . 6 1 1 A 70 70 SER CB C 70 64.022 62.736 1.286 1
1 826 . 6 1 1 A 70 70 SER N N 70 116.687 119.901 -3.214 1
1 827 . 6 1 1 A 71 71 GLY H H 71 8.250 8.354 -0.104 1
1 828 . 6 1 1 A 71 71 GLY C C 71 171.782 171.963 -0.181 1
1 829 . 6 1 1 A 71 71 GLY CA C 71 44.717 45.487 -0.770 1
1 830 . 6 1 1 A 71 71 GLY N N 71 110.366 113.074 -2.708 1
1 831 . 6 1 1 A 72 72 PRO HA H 72 4.141 4.679 -0.538 1
1 832 . 6 1 1 A 74 74 SER HA H 74 4.526 4.538 -0.012 1
1 835 . 6 1 1 A 74 74 SER C C 74 173.918 175.773 -1.855 1
1 836 . 6 1 1 A 74 74 SER CA C 74 58.528 58.556 -0.028 1
1 837 . 6 1 1 A 74 74 SER CB C 74 63.972 65.233 -1.261 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 4.146 3.874 0.272 1
1 2 . 7 1 1 A 7 7 GLY CA C 7 44.691 46.965 -2.274 1
1 3 . 7 1 1 A 8 8 PRO HA H 8 4.512 4.426 0.086 1
1 10 . 7 1 1 A 8 8 PRO C C 8 177.365 176.340 1.025 1
1 11 . 7 1 1 A 8 8 PRO CA C 8 63.297 62.739 0.558 1
1 12 . 7 1 1 A 8 8 PRO CB C 8 32.239 31.869 0.370 1
1 15 . 7 1 1 A 9 9 THR H H 9 8.295 8.363 -0.068 1
1 16 . 7 1 1 A 9 9 THR HA H 9 4.271 4.307 -0.036 1
1 21 . 7 1 1 A 9 9 THR C C 9 174.452 173.999 0.453 1
1 22 . 7 1 1 A 9 9 THR CA C 9 62.276 62.315 -0.039 1
1 23 . 7 1 1 A 9 9 THR CB C 9 69.790 69.788 0.002 1
1 25 . 7 1 1 A 9 9 THR N N 9 114.885 116.718 -1.833 1
1 26 . 7 1 1 A 10 10 LYS H H 10 8.284 8.276 0.008 1
1 27 . 7 1 1 A 10 10 LYS HA H 10 4.281 4.069 0.212 1
1 35 . 7 1 1 A 10 10 LYS C C 10 176.103 176.863 -0.760 1
1 36 . 7 1 1 A 10 10 LYS CA C 10 56.316 56.488 -0.172 1
1 37 . 7 1 1 A 10 10 LYS CB C 10 33.062 32.907 0.155 1
1 41 . 7 1 1 A 10 10 LYS N N 10 123.812 124.550 -0.738 1
1 42 . 7 1 1 A 11 11 TYR H H 11 8.198 8.746 -0.548 1
1 43 . 7 1 1 A 11 11 TYR HA H 11 4.569 4.432 0.137 1
1 50 . 7 1 1 A 11 11 TYR C C 11 175.496 176.859 -1.363 1
1 51 . 7 1 1 A 11 11 TYR CA C 11 58.044 60.407 -2.363 1
1 52 . 7 1 1 A 11 11 TYR CB C 11 38.842 39.234 -0.392 1
1 57 . 7 1 1 A 11 11 TYR N N 11 121.375 120.066 1.309 1
1 58 . 7 1 1 A 12 12 LYS H H 12 8.168 7.828 0.340 1
1 59 . 7 1 1 A 12 12 LYS HA H 12 4.255 4.150 0.105 1
1 68 . 7 1 1 A 12 12 LYS C C 12 175.861 175.444 0.417 1
1 69 . 7 1 1 A 12 12 LYS CA C 12 56.050 57.694 -1.644 1
1 70 . 7 1 1 A 12 12 LYS CB C 12 33.145 32.764 0.381 1
1 74 . 7 1 1 A 12 12 LYS N N 12 123.375 118.979 4.396 1
1 75 . 7 1 1 A 13 13 GLU H H 13 8.386 8.426 -0.040 1
1 76 . 7 1 1 A 13 13 GLU HA H 13 4.285 4.732 -0.447 1
1 81 . 7 1 1 A 13 13 GLU C C 13 176.419 174.973 1.446 1
1 82 . 7 1 1 A 13 13 GLU CA C 13 56.519 55.775 0.744 1
1 83 . 7 1 1 A 13 13 GLU CB C 13 30.261 33.916 -3.655 1
1 85 . 7 1 1 A 13 13 GLU N N 13 122.385 126.211 -3.826 1
1 86 . 7 1 1 A 14 14 ARG H H 14 8.451 8.460 -0.009 1
1 87 . 7 1 1 A 14 14 ARG HA H 14 4.424 4.568 -0.144 1
1 94 . 7 1 1 A 14 14 ARG C C 14 175.230 175.927 -0.697 1
1 95 . 7 1 1 A 14 14 ARG CA C 14 55.188 55.923 -0.735 1
1 96 . 7 1 1 A 14 14 ARG CB C 14 31.003 31.757 -0.754 1
1 99 . 7 1 1 A 14 14 ARG N N 14 121.822 123.316 -1.494 1
1 100 . 7 1 1 A 15 15 ALA H H 15 8.444 8.542 -0.098 1
1 101 . 7 1 1 A 15 15 ALA HA H 15 4.633 4.703 -0.070 1
1 105 . 7 1 1 A 15 15 ALA C C 15 176.808 177.695 -0.887 1
1 106 . 7 1 1 A 15 15 ALA CA C 15 50.852 50.445 0.407 1
1 107 . 7 1 1 A 15 15 ALA CB C 15 17.938 19.090 -1.152 1
1 108 . 7 1 1 A 15 15 ALA N N 15 125.225 122.957 2.268 1
1 109 . 7 1 1 A 16 16 PRO HA H 16 4.240 4.372 -0.132 1
1 116 . 7 1 1 A 16 16 PRO C C 16 178.993 178.417 0.576 1
1 117 . 7 1 1 A 16 16 PRO CA C 16 65.731 64.725 1.006 1
1 118 . 7 1 1 A 16 16 PRO CB C 16 31.966 32.186 -0.220 1
1 121 . 7 1 1 A 17 17 GLU H H 17 9.453 8.438 1.015 1
1 122 . 7 1 1 A 17 17 GLU HA H 17 4.051 4.059 -0.008 1
1 127 . 7 1 1 A 17 17 GLU C C 17 179.550 179.622 -0.072 1
1 128 . 7 1 1 A 17 17 GLU CA C 17 59.568 59.793 -0.225 1
1 129 . 7 1 1 A 17 17 GLU CB C 17 28.613 29.384 -0.771 1
1 131 . 7 1 1 A 17 17 GLU N N 17 116.527 118.291 -1.764 1
1 132 . 7 1 1 A 18 18 GLN H H 18 7.529 8.028 -0.499 1
1 133 . 7 1 1 A 18 18 GLN HA H 18 4.036 3.894 0.142 1
1 140 . 7 1 1 A 18 18 GLN C C 18 176.977 178.408 -1.431 1
1 141 . 7 1 1 A 18 18 GLN CA C 18 58.785 58.926 -0.141 1
1 142 . 7 1 1 A 18 18 GLN CB C 18 28.860 28.337 0.523 1
1 144 . 7 1 1 A 18 18 GLN N N 18 119.048 118.974 0.074 1
1 146 . 7 1 1 A 19 19 LEU H H 19 7.664 8.056 -0.392 1
1 147 . 7 1 1 A 19 19 LEU HA H 19 3.755 3.725 0.030 1
1 157 . 7 1 1 A 19 19 LEU C C 19 178.410 178.735 -0.325 1
1 158 . 7 1 1 A 19 19 LEU CA C 19 57.516 57.578 -0.062 1
1 159 . 7 1 1 A 19 19 LEU CB C 19 41.276 41.590 -0.314 1
1 163 . 7 1 1 A 19 19 LEU N N 19 117.171 120.697 -3.526 1
1 164 . 7 1 1 A 20 20 ARG H H 20 8.188 7.775 0.413 1
1 165 . 7 1 1 A 20 20 ARG HA H 20 3.998 3.964 0.034 1
1 172 . 7 1 1 A 20 20 ARG C C 20 178.993 178.329 0.664 1
1 173 . 7 1 1 A 20 20 ARG CA C 20 59.333 59.505 -0.172 1
1 174 . 7 1 1 A 20 20 ARG CB C 20 30.096 30.003 0.093 1
1 177 . 7 1 1 A 20 20 ARG N N 20 117.090 118.863 -1.773 1
1 178 . 7 1 1 A 21 21 ALA H H 21 7.176 7.766 -0.590 1
1 179 . 7 1 1 A 21 21 ALA HA H 21 4.092 4.064 0.028 1
1 183 . 7 1 1 A 21 21 ALA C C 21 180.571 180.046 0.525 1
1 184 . 7 1 1 A 21 21 ALA CA C 21 54.941 54.694 0.247 1
1 185 . 7 1 1 A 21 21 ALA CB C 21 17.858 18.426 -0.568 1
1 186 . 7 1 1 A 21 21 ALA N N 21 121.201 120.777 0.424 1
1 187 . 7 1 1 A 22 22 LEU H H 22 7.528 8.091 -0.563 1
1 188 . 7 1 1 A 22 22 LEU HA H 22 3.576 3.683 -0.107 1
1 198 . 7 1 1 A 22 22 LEU C C 22 177.779 178.465 -0.686 1
1 199 . 7 1 1 A 22 22 LEU CA C 22 58.185 58.103 0.082 1
1 200 . 7 1 1 A 22 22 LEU CB C 22 38.666 40.751 -2.085 1
1 204 . 7 1 1 A 22 22 LEU N N 22 119.669 119.669 0.000 1
1 205 . 7 1 1 A 23 23 GLU H H 23 8.516 8.324 0.192 1
1 206 . 7 1 1 A 23 23 GLU HA H 23 4.221 4.152 0.069 1
1 211 . 7 1 1 A 23 23 GLU C C 23 180.352 179.298 1.054 1
1 212 . 7 1 1 A 23 23 GLU CA C 23 59.489 60.102 -0.613 1
1 213 . 7 1 1 A 23 23 GLU CB C 23 29.317 29.513 -0.196 1
1 215 . 7 1 1 A 23 23 GLU N N 23 117.420 117.706 -0.286 1
1 216 . 7 1 1 A 24 24 SER H H 24 8.209 7.513 0.696 1
1 217 . 7 1 1 A 24 24 SER HA H 24 4.303 4.246 0.057 1
1 220 . 7 1 1 A 24 24 SER C C 24 176.710 177.260 -0.550 1
1 221 . 7 1 1 A 24 24 SER CA C 24 61.852 61.497 0.355 1
1 222 . 7 1 1 A 24 24 SER CB C 24 62.767 62.955 -0.188 1
1 223 . 7 1 1 A 24 24 SER N N 24 114.551 115.765 -1.214 1
1 224 . 7 1 1 A 25 25 SER H H 25 7.396 8.358 -0.962 1
1 225 . 7 1 1 A 25 25 SER HA H 25 4.388 4.297 0.091 1
1 228 . 7 1 1 A 25 25 SER C C 25 177.415 176.884 0.531 1
1 229 . 7 1 1 A 25 25 SER CA C 25 61.428 61.562 -0.134 1
1 230 . 7 1 1 A 25 25 SER CB C 25 63.319 62.760 0.559 1
1 231 . 7 1 1 A 25 25 SER N N 25 115.081 115.724 -0.643 1
1 232 . 7 1 1 A 26 26 PHE H H 26 9.019 9.051 -0.032 1
1 233 . 7 1 1 A 26 26 PHE HA H 26 4.201 4.527 -0.326 1
1 241 . 7 1 1 A 26 26 PHE C C 26 176.419 176.998 -0.579 1
1 242 . 7 1 1 A 26 26 PHE CA C 26 62.239 62.412 -0.173 1
1 243 . 7 1 1 A 26 26 PHE CB C 26 39.437 39.484 -0.047 1
1 249 . 7 1 1 A 26 26 PHE N N 26 120.609 123.413 -2.804 1
1 250 . 7 1 1 A 27 27 ALA H H 27 8.045 7.878 0.167 1
1 251 . 7 1 1 A 27 27 ALA HA H 27 4.062 4.005 0.057 1
1 255 . 7 1 1 A 27 27 ALA C C 27 179.478 180.001 -0.523 1
1 256 . 7 1 1 A 27 27 ALA CA C 27 53.940 55.221 -1.281 1
1 257 . 7 1 1 A 27 27 ALA CB C 27 18.395 18.362 0.033 1
1 258 . 7 1 1 A 27 27 ALA N N 27 116.245 121.187 -4.942 1
1 259 . 7 1 1 A 28 28 GLN H H 28 7.416 7.600 -0.184 1
1 260 . 7 1 1 A 28 28 GLN HA H 28 4.198 4.137 0.061 1
1 267 . 7 1 1 A 28 28 GLN C C 28 177.124 176.044 1.080 1
1 268 . 7 1 1 A 28 28 GLN CA C 28 57.586 58.586 -1.000 1
1 269 . 7 1 1 A 28 28 GLN CB C 28 29.250 29.033 0.217 1
1 271 . 7 1 1 A 28 28 GLN N N 28 115.857 116.579 -0.722 1
1 273 . 7 1 1 A 29 29 ASN H H 29 8.006 7.510 0.496 1
1 274 . 7 1 1 A 29 29 ASN HA H 29 4.780 4.996 -0.216 1
1 279 . 7 1 1 A 29 29 ASN C C 29 172.728 174.789 -2.061 1
1 280 . 7 1 1 A 29 29 ASN CA C 29 51.028 50.749 0.279 1
1 281 . 7 1 1 A 29 29 ASN CB C 29 39.656 41.164 -1.508 1
1 282 . 7 1 1 A 29 29 ASN N N 29 114.892 113.836 1.056 1
1 284 . 7 1 1 A 30 30 PRO HA H 30 4.218 4.892 -0.674 1
1 291 . 7 1 1 A 30 30 PRO C C 30 174.525 176.634 -2.109 1
1 292 . 7 1 1 A 30 30 PRO CA C 30 63.827 64.538 -0.711 1
1 293 . 7 1 1 A 30 30 PRO CB C 30 33.212 32.403 0.809 1
1 296 . 7 1 1 A 31 31 LEU H H 31 7.568 7.903 -0.335 1
1 297 . 7 1 1 A 31 31 LEU HA H 31 4.709 4.402 0.307 1
1 307 . 7 1 1 A 31 31 LEU C C 31 172.607 173.949 -1.342 1
1 308 . 7 1 1 A 31 31 LEU CA C 31 51.944 51.761 0.183 1
1 309 . 7 1 1 A 31 31 LEU CB C 31 42.822 42.746 0.076 1
1 313 . 7 1 1 A 31 31 LEU N N 31 120.819 118.663 2.156 1
1 314 . 7 1 1 A 32 32 PRO HA H 32 4.073 4.462 -0.389 1
1 321 . 7 1 1 A 32 32 PRO C C 32 177.293 177.113 0.180 1
1 322 . 7 1 1 A 32 32 PRO CA C 32 62.627 62.736 -0.109 1
1 323 . 7 1 1 A 32 32 PRO CB C 32 31.663 32.070 -0.407 1
1 326 . 7 1 1 A 33 33 LEU H H 33 8.254 8.372 -0.118 1
1 327 . 7 1 1 A 33 33 LEU HA H 33 4.410 4.386 0.024 1
1 337 . 7 1 1 A 33 33 LEU C C 33 178.312 178.170 0.142 1
1 338 . 7 1 1 A 33 33 LEU CA C 33 53.742 54.418 -0.676 1
1 339 . 7 1 1 A 33 33 LEU CB C 33 42.620 42.693 -0.073 1
1 343 . 7 1 1 A 33 33 LEU N N 33 119.030 122.772 -3.742 1
1 344 . 7 1 1 A 34 34 ASP H H 34 8.532 8.908 -0.376 1
1 345 . 7 1 1 A 34 34 ASP HA H 34 4.187 4.251 -0.064 1
1 348 . 7 1 1 A 34 34 ASP C C 34 177.731 177.917 -0.186 1
1 349 . 7 1 1 A 34 34 ASP CA C 34 58.678 58.198 0.480 1
1 350 . 7 1 1 A 34 34 ASP CB C 34 40.871 41.118 -0.247 1
1 351 . 7 1 1 A 34 34 ASP N N 34 120.283 122.906 -2.623 1
1 352 . 7 1 1 A 35 35 GLU H H 35 8.841 8.487 0.354 1
1 353 . 7 1 1 A 35 35 GLU HA H 35 4.135 4.039 0.096 1
1 358 . 7 1 1 A 35 35 GLU C C 35 178.919 178.766 0.153 1
1 359 . 7 1 1 A 35 35 GLU CA C 35 59.801 59.505 0.296 1
1 360 . 7 1 1 A 35 35 GLU CB C 35 28.860 29.259 -0.399 1
1 362 . 7 1 1 A 35 35 GLU N N 35 116.076 117.240 -1.164 1
1 363 . 7 1 1 A 36 36 GLU H H 36 7.242 8.092 -0.850 1
1 364 . 7 1 1 A 36 36 GLU HA H 36 4.762 4.107 0.655 1
1 369 . 7 1 1 A 36 36 GLU C C 36 178.264 178.447 -0.183 1
1 370 . 7 1 1 A 36 36 GLU CA C 36 57.303 58.883 -1.580 1
1 371 . 7 1 1 A 36 36 GLU CB C 36 28.799 29.264 -0.465 1
1 373 . 7 1 1 A 36 36 GLU N N 36 121.997 119.958 2.039 1
1 374 . 7 1 1 A 37 37 LEU H H 37 7.778 7.541 0.237 1
1 375 . 7 1 1 A 37 37 LEU HA H 37 3.956 4.248 -0.292 1
1 385 . 7 1 1 A 37 37 LEU C C 37 179.381 178.638 0.743 1
1 386 . 7 1 1 A 37 37 LEU CA C 37 58.608 56.674 1.934 1
1 387 . 7 1 1 A 37 37 LEU CB C 37 41.227 41.767 -0.540 1
1 391 . 7 1 1 A 37 37 LEU N N 37 120.816 119.294 1.522 1
1 392 . 7 1 1 A 38 38 ASP H H 38 8.446 8.578 -0.132 1
1 393 . 7 1 1 A 38 38 ASP HA H 38 4.455 4.444 0.011 1
1 396 . 7 1 1 A 38 38 ASP C C 38 179.162 178.329 0.833 1
1 397 . 7 1 1 A 38 38 ASP CA C 38 57.550 57.039 0.511 1
1 398 . 7 1 1 A 38 38 ASP CB C 38 40.313 41.673 -1.360 1
1 399 . 7 1 1 A 38 38 ASP N N 38 118.274 119.736 -1.462 1
1 400 . 7 1 1 A 39 39 ARG H H 39 7.964 7.863 0.101 1
1 401 . 7 1 1 A 39 39 ARG HA H 39 4.066 4.095 -0.029 1
1 409 . 7 1 1 A 39 39 ARG C C 39 179.867 178.749 1.118 1
1 410 . 7 1 1 A 39 39 ARG CA C 39 59.801 59.200 0.601 1
1 411 . 7 1 1 A 39 39 ARG CB C 39 29.849 30.669 -0.820 1
1 414 . 7 1 1 A 39 39 ARG N N 39 123.855 119.032 4.823 1
1 416 . 7 1 1 A 40 40 LEU H H 40 8.686 8.378 0.308 1
1 417 . 7 1 1 A 40 40 LEU HA H 40 4.045 3.994 0.051 1
1 427 . 7 1 1 A 40 40 LEU C C 40 180.716 179.098 1.618 1
1 428 . 7 1 1 A 40 40 LEU CA C 40 57.782 58.030 -0.248 1
1 429 . 7 1 1 A 40 40 LEU CB C 40 43.153 41.565 1.588 1
1 433 . 7 1 1 A 40 40 LEU N N 40 118.936 119.726 -0.790 1
1 434 . 7 1 1 A 41 41 ARG H H 41 8.500 8.574 -0.074 1
1 435 . 7 1 1 A 41 41 ARG HA H 41 4.078 4.141 -0.063 1
1 442 . 7 1 1 A 41 41 ARG C C 41 178.702 179.037 -0.335 1
1 443 . 7 1 1 A 41 41 ARG CA C 41 60.336 59.785 0.551 1
1 444 . 7 1 1 A 41 41 ARG CB C 41 29.767 29.984 -0.217 1
1 447 . 7 1 1 A 41 41 ARG N N 41 125.386 119.071 6.315 1
1 448 . 7 1 1 A 42 42 SER H H 42 7.762 7.687 0.075 1
1 449 . 7 1 1 A 42 42 SER HA H 42 4.238 4.208 0.030 1
1 452 . 7 1 1 A 42 42 SER C C 42 176.030 176.385 -0.355 1
1 453 . 7 1 1 A 42 42 SER CA C 42 61.535 61.288 0.247 1
1 454 . 7 1 1 A 42 42 SER CB C 42 62.892 62.987 -0.095 1
1 455 . 7 1 1 A 42 42 SER N N 42 114.493 115.363 -0.870 1
1 456 . 7 1 1 A 43 43 GLU H H 43 8.031 7.986 0.045 1
1 457 . 7 1 1 A 43 43 GLU HA H 43 4.220 4.277 -0.057 1
1 462 . 7 1 1 A 43 43 GLU C C 43 178.264 178.738 -0.474 1
1 463 . 7 1 1 A 43 43 GLU CA C 43 58.855 58.478 0.377 1
1 464 . 7 1 1 A 43 43 GLU CB C 43 30.959 30.481 0.478 1
1 466 . 7 1 1 A 43 43 GLU N N 43 118.451 120.729 -2.278 1
1 467 . 7 1 1 A 44 44 THR H H 44 8.387 8.374 0.013 1
1 468 . 7 1 1 A 44 44 THR HA H 44 4.333 4.135 0.198 1
1 473 . 7 1 1 A 44 44 THR C C 44 175.787 174.782 1.005 1
1 474 . 7 1 1 A 44 44 THR CA C 44 63.333 63.667 -0.334 1
1 475 . 7 1 1 A 44 44 THR CB C 44 72.112 70.006 2.106 1
1 477 . 7 1 1 A 44 44 THR N N 44 105.689 111.454 -5.765 1
1 478 . 7 1 1 A 45 45 LYS H H 45 7.962 7.838 0.124 1
1 479 . 7 1 1 A 45 45 LYS HA H 45 4.042 4.148 -0.106 1
1 488 . 7 1 1 A 45 45 LYS C C 45 176.298 174.809 1.489 1
1 489 . 7 1 1 A 45 45 LYS CA C 45 57.934 57.403 0.531 1
1 490 . 7 1 1 A 45 45 LYS CB C 45 29.024 29.379 -0.355 1
1 494 . 7 1 1 A 45 45 LYS N N 45 115.260 116.775 -1.515 1
1 495 . 7 1 1 A 46 46 MET H H 46 7.750 7.462 0.288 1
1 496 . 7 1 1 A 46 46 MET HA H 46 4.498 5.082 -0.584 1
1 504 . 7 1 1 A 46 46 MET C C 46 176.127 175.113 1.014 1
1 505 . 7 1 1 A 46 46 MET CA C 46 55.788 54.159 1.629 1
1 506 . 7 1 1 A 46 46 MET CB C 46 36.233 37.193 -0.960 1
1 509 . 7 1 1 A 46 46 MET N N 46 119.026 116.161 2.865 1
1 510 . 7 1 1 A 47 47 THR H H 47 8.712 8.433 0.279 1
1 511 . 7 1 1 A 47 47 THR HA H 47 4.376 4.834 -0.458 1
1 516 . 7 1 1 A 47 47 THR C C 47 175.812 176.421 -0.609 1
1 517 . 7 1 1 A 47 47 THR CA C 47 61.011 59.762 1.249 1
1 518 . 7 1 1 A 47 47 THR CB C 47 70.885 71.978 -1.093 1
1 520 . 7 1 1 A 47 47 THR N N 47 109.504 111.615 -2.111 1
1 521 . 7 1 1 A 48 48 ARG H H 48 9.074 9.021 0.053 1
1 522 . 7 1 1 A 48 48 ARG HA H 48 3.910 3.964 -0.054 1
1 530 . 7 1 1 A 48 48 ARG C C 48 178.119 178.008 0.111 1
1 531 . 7 1 1 A 48 48 ARG CA C 48 59.242 60.459 -1.217 1
1 532 . 7 1 1 A 48 48 ARG CB C 48 29.189 29.941 -0.752 1
1 535 . 7 1 1 A 48 48 ARG N N 48 120.559 122.285 -1.726 1
1 537 . 7 1 1 A 49 49 ARG H H 49 8.384 8.239 0.145 1
1 538 . 7 1 1 A 49 49 ARG HA H 49 4.237 4.086 0.151 1
1 545 . 7 1 1 A 49 49 ARG C C 49 179.478 178.649 0.829 1
1 546 . 7 1 1 A 49 49 ARG CA C 49 59.419 58.987 0.432 1
1 547 . 7 1 1 A 49 49 ARG CB C 49 30.014 30.210 -0.196 1
1 550 . 7 1 1 A 49 49 ARG N N 49 117.267 118.225 -0.958 1
1 551 . 7 1 1 A 50 50 GLU H H 50 7.869 8.063 -0.194 1
1 552 . 7 1 1 A 50 50 GLU HA H 50 4.073 4.111 -0.038 1
1 557 . 7 1 1 A 50 50 GLU C C 50 180.036 179.335 0.701 1
1 558 . 7 1 1 A 50 50 GLU CA C 50 59.419 58.819 0.600 1
1 559 . 7 1 1 A 50 50 GLU CB C 50 30.672 29.439 1.233 1
1 561 . 7 1 1 A 50 50 GLU N N 50 119.568 118.789 0.779 1
1 562 . 7 1 1 A 51 51 ILE H H 51 8.451 8.648 -0.197 1
1 563 . 7 1 1 A 51 51 ILE HA H 51 3.795 3.629 0.166 1
1 573 . 7 1 1 A 51 51 ILE C C 51 177.706 177.828 -0.122 1
1 574 . 7 1 1 A 51 51 ILE CA C 51 66.329 65.859 0.470 1
1 575 . 7 1 1 A 51 51 ILE CB C 51 38.715 38.090 0.625 1
1 579 . 7 1 1 A 51 51 ILE N N 51 122.516 121.473 1.043 1
1 580 . 7 1 1 A 52 52 ASP H H 52 9.078 8.736 0.342 1
1 581 . 7 1 1 A 52 52 ASP HA H 52 4.561 4.517 0.044 1
1 584 . 7 1 1 A 52 52 ASP C C 52 180.085 178.229 1.856 1
1 585 . 7 1 1 A 52 52 ASP CA C 52 58.249 57.721 0.528 1
1 586 . 7 1 1 A 52 52 ASP CB C 52 40.908 41.428 -0.520 1
1 587 . 7 1 1 A 52 52 ASP N N 52 121.201 121.223 -0.022 1
1 588 . 7 1 1 A 53 53 SER H H 53 8.298 7.714 0.584 1
1 589 . 7 1 1 A 53 53 SER HA H 53 4.362 4.254 0.108 1
1 592 . 7 1 1 A 53 53 SER C C 53 175.934 176.751 -0.817 1
1 593 . 7 1 1 A 53 53 SER CA C 53 61.928 61.110 0.818 1
1 594 . 7 1 1 A 53 53 SER CB C 53 62.974 63.025 -0.051 1
1 595 . 7 1 1 A 53 53 SER N N 53 114.616 113.540 1.076 1
1 596 . 7 1 1 A 54 54 TRP H H 54 8.315 8.228 0.087 1
1 597 . 7 1 1 A 54 54 TRP HA H 54 3.993 4.335 -0.342 1
1 606 . 7 1 1 A 54 54 TRP C C 54 179.453 178.130 1.323 1
1 607 . 7 1 1 A 54 54 TRP CA C 54 63.191 61.265 1.926 1
1 608 . 7 1 1 A 54 54 TRP CB C 54 28.777 30.544 -1.767 1
1 614 . 7 1 1 A 54 54 TRP N N 54 123.444 124.218 -0.774 1
1 616 . 7 1 1 A 55 55 PHE H H 55 9.110 8.201 0.909 1
1 617 . 7 1 1 A 55 55 PHE HA H 55 3.880 4.106 -0.226 1
1 625 . 7 1 1 A 55 55 PHE C C 55 178.119 178.335 -0.216 1
1 626 . 7 1 1 A 55 55 PHE CA C 55 63.563 61.700 1.863 1
1 627 . 7 1 1 A 55 55 PHE CB C 55 39.721 39.307 0.414 1
1 633 . 7 1 1 A 55 55 PHE N N 55 119.065 118.428 0.637 1
1 634 . 7 1 1 A 56 56 SER H H 56 8.330 8.151 0.179 1
1 635 . 7 1 1 A 56 56 SER HA H 56 4.173 4.245 -0.072 1
1 638 . 7 1 1 A 56 56 SER C C 56 177.851 175.879 1.972 1
1 639 . 7 1 1 A 56 56 SER CA C 56 61.958 62.165 -0.207 1
1 640 . 7 1 1 A 56 56 SER CB C 56 62.727 63.297 -0.570 1
1 641 . 7 1 1 A 56 56 SER N N 56 113.028 115.599 -2.571 1
1 642 . 7 1 1 A 57 57 GLU H H 57 8.070 7.953 0.117 1
1 643 . 7 1 1 A 57 57 GLU HA H 57 3.922 4.121 -0.199 1
1 648 . 7 1 1 A 57 57 GLU C C 57 178.895 178.476 0.419 1
1 649 . 7 1 1 A 57 57 GLU CA C 57 58.629 57.882 0.747 1
1 650 . 7 1 1 A 57 57 GLU CB C 57 29.107 29.629 -0.522 1
1 652 . 7 1 1 A 57 57 GLU N N 57 119.996 120.067 -0.071 1
1 653 . 7 1 1 A 58 58 ARG H H 58 8.048 7.844 0.204 1
1 654 . 7 1 1 A 58 58 ARG HA H 58 3.489 3.666 -0.177 1
1 662 . 7 1 1 A 58 58 ARG C C 58 179.186 178.264 0.922 1
1 663 . 7 1 1 A 58 58 ARG CA C 58 56.770 58.368 -1.598 1
1 664 . 7 1 1 A 58 58 ARG CB C 58 28.145 29.416 -1.271 1
1 667 . 7 1 1 A 58 58 ARG N N 58 122.160 120.749 1.411 1
1 669 . 7 1 1 A 59 59 ARG H H 59 8.093 8.218 -0.125 1
1 670 . 7 1 1 A 59 59 ARG HA H 59 4.212 4.170 0.042 1
1 677 . 7 1 1 A 59 59 ARG C C 59 178.458 177.768 0.690 1
1 678 . 7 1 1 A 59 59 ARG CA C 59 60.019 58.950 1.069 1
1 679 . 7 1 1 A 59 59 ARG CB C 59 31.689 30.108 1.581 1
1 682 . 7 1 1 A 59 59 ARG N N 59 116.818 118.114 -1.296 1
1 683 . 7 1 1 A 60 60 LYS H H 60 7.418 8.047 -0.629 1
1 684 . 7 1 1 A 60 60 LYS HA H 60 4.154 4.048 0.106 1
1 693 . 7 1 1 A 60 60 LYS C C 60 177.803 178.870 -1.067 1
1 694 . 7 1 1 A 60 60 LYS CA C 60 58.327 59.051 -0.724 1
1 695 . 7 1 1 A 60 60 LYS CB C 60 32.651 31.799 0.852 1
1 699 . 7 1 1 A 60 60 LYS N N 60 117.893 118.022 -0.129 1
1 700 . 7 1 1 A 61 61 LYS H H 61 7.510 7.977 -0.467 1
1 701 . 7 1 1 A 61 61 LYS HA H 61 4.177 4.109 0.068 1
1 710 . 7 1 1 A 61 61 LYS C C 61 177.317 178.906 -1.589 1
1 711 . 7 1 1 A 61 61 LYS CA C 61 57.516 58.852 -1.336 1
1 712 . 7 1 1 A 61 61 LYS CB C 61 32.809 32.033 0.776 1
1 716 . 7 1 1 A 61 61 LYS N N 61 119.359 119.378 -0.019 1
1 717 . 7 1 1 A 62 62 VAL H H 62 7.805 7.342 0.463 1
1 718 . 7 1 1 A 62 62 VAL HA H 62 4.013 3.578 0.435 1
1 726 . 7 1 1 A 62 62 VAL C C 62 176.784 177.809 -1.025 1
1 727 . 7 1 1 A 62 62 VAL CA C 62 63.755 66.431 -2.676 1
1 728 . 7 1 1 A 62 62 VAL CB C 62 32.365 31.810 0.555 1
1 731 . 7 1 1 A 62 62 VAL N N 62 119.337 120.263 -0.926 1
1 732 . 7 1 1 A 63 63 ASN H H 63 8.282 8.218 0.064 1
1 733 . 7 1 1 A 63 63 ASN HA H 63 4.700 4.459 0.241 1
1 738 . 7 1 1 A 63 63 ASN C C 63 175.594 176.942 -1.348 1
1 739 . 7 1 1 A 63 63 ASN CA C 63 53.962 56.414 -2.452 1
1 740 . 7 1 1 A 63 63 ASN CB C 63 38.913 39.493 -0.580 1
1 741 . 7 1 1 A 63 63 ASN N N 63 120.443 118.710 1.733 1
1 743 . 7 1 1 A 64 64 ALA H H 64 8.225 7.623 0.602 1
1 744 . 7 1 1 A 64 64 ALA HA H 64 4.290 4.330 -0.040 1
1 748 . 7 1 1 A 64 64 ALA C C 64 178.312 176.184 2.128 1
1 749 . 7 1 1 A 64 64 ALA CA C 64 53.319 52.336 0.983 1
1 750 . 7 1 1 A 64 64 ALA CB C 64 19.055 18.695 0.360 1
1 751 . 7 1 1 A 64 64 ALA N N 64 123.747 118.775 4.972 1
1 752 . 7 1 1 A 65 65 GLU H H 65 8.262 7.163 1.099 1
1 753 . 7 1 1 A 65 65 GLU HA H 65 4.233 5.154 -0.921 1
1 758 . 7 1 1 A 65 65 GLU C C 65 177.244 174.845 2.399 1
1 759 . 7 1 1 A 65 65 GLU CA C 65 57.269 54.741 2.528 1
1 760 . 7 1 1 A 65 65 GLU CB C 65 30.114 33.432 -3.318 1
1 762 . 7 1 1 A 65 65 GLU N N 65 118.780 120.291 -1.511 1
1 763 . 7 1 1 A 66 66 GLU H H 66 8.327 8.454 -0.127 1
1 764 . 7 1 1 A 66 66 GLU HA H 66 4.301 4.912 -0.611 1
1 769 . 7 1 1 A 66 66 GLU C C 66 177.244 176.256 0.988 1
1 770 . 7 1 1 A 66 66 GLU CA C 66 57.197 54.655 2.542 1
1 771 . 7 1 1 A 66 66 GLU CB C 66 30.227 33.187 -2.960 1
1 773 . 7 1 1 A 66 66 GLU N N 66 120.955 125.144 -4.189 1
1 774 . 7 1 1 A 67 67 THR H H 67 8.135 8.270 -0.135 1
1 775 . 7 1 1 A 67 67 THR HA H 67 4.280 4.396 -0.116 1
1 780 . 7 1 1 A 67 67 THR C C 67 174.816 174.969 -0.153 1
1 781 . 7 1 1 A 67 67 THR CA C 67 62.615 62.947 -0.332 1
1 782 . 7 1 1 A 67 67 THR CB C 67 69.648 69.779 -0.131 1
1 784 . 7 1 1 A 67 67 THR N N 67 114.856 113.969 0.887 1
1 785 . 7 1 1 A 68 68 LYS H H 68 8.202 7.436 0.766 1
1 786 . 7 1 1 A 68 68 LYS HA H 68 4.327 4.271 0.056 1
1 795 . 7 1 1 A 68 68 LYS C C 68 176.637 175.707 0.930 1
1 796 . 7 1 1 A 68 68 LYS CA C 68 56.599 56.534 0.065 1
1 797 . 7 1 1 A 68 68 LYS CB C 68 32.898 33.006 -0.108 1
1 801 . 7 1 1 A 68 68 LYS N N 68 123.462 121.150 2.312 1
1 802 . 7 1 1 A 69 69 LYS H H 69 8.300 8.345 -0.045 1
1 803 . 7 1 1 A 69 69 LYS HA H 69 4.375 4.680 -0.305 1
1 812 . 7 1 1 A 69 69 LYS C C 69 176.661 174.277 2.384 1
1 813 . 7 1 1 A 69 69 LYS CA C 69 56.458 56.187 0.271 1
1 814 . 7 1 1 A 69 69 LYS CB C 69 33.145 35.391 -2.246 1
1 818 . 7 1 1 A 69 69 LYS N N 69 122.321 121.865 0.456 1
1 819 . 7 1 1 A 70 70 SER H H 70 8.330 8.965 -0.635 1
1 820 . 7 1 1 A 70 70 SER HA H 70 4.536 5.391 -0.855 1
1 823 . 7 1 1 A 70 70 SER C C 70 174.525 173.875 0.650 1
1 824 . 7 1 1 A 70 70 SER CA C 70 58.361 56.671 1.690 1
1 825 . 7 1 1 A 70 70 SER CB C 70 64.022 65.755 -1.733 1
1 826 . 7 1 1 A 70 70 SER N N 70 116.687 120.162 -3.475 1
1 827 . 7 1 1 A 71 71 GLY H H 71 8.250 9.161 -0.911 1
1 828 . 7 1 1 A 71 71 GLY C C 71 171.782 172.482 -0.700 1
1 829 . 7 1 1 A 71 71 GLY CA C 71 44.717 46.091 -1.374 1
1 830 . 7 1 1 A 71 71 GLY N N 71 110.366 110.140 0.226 1
1 831 . 7 1 1 A 72 72 PRO HA H 72 4.141 4.637 -0.496 1
1 832 . 7 1 1 A 74 74 SER HA H 74 4.526 5.020 -0.494 1
1 835 . 7 1 1 A 74 74 SER C C 74 173.918 173.969 -0.051 1
1 836 . 7 1 1 A 74 74 SER CA C 74 58.528 57.629 0.899 1
1 837 . 7 1 1 A 74 74 SER CB C 74 63.972 66.002 -2.030 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 4.146 4.246 -0.100 1
1 2 . 8 1 1 A 7 7 GLY CA C 7 44.691 44.116 0.575 1
1 3 . 8 1 1 A 8 8 PRO HA H 8 4.512 4.742 -0.230 1
1 10 . 8 1 1 A 8 8 PRO C C 8 177.365 175.171 2.194 1
1 11 . 8 1 1 A 8 8 PRO CA C 8 63.297 62.651 0.646 1
1 12 . 8 1 1 A 8 8 PRO CB C 8 32.239 32.429 -0.190 1
1 15 . 8 1 1 A 9 9 THR H H 9 8.295 8.688 -0.393 1
1 16 . 8 1 1 A 9 9 THR HA H 9 4.271 4.638 -0.367 1
1 21 . 8 1 1 A 9 9 THR C C 9 174.452 173.034 1.418 1
1 22 . 8 1 1 A 9 9 THR CA C 9 62.276 60.340 1.936 1
1 23 . 8 1 1 A 9 9 THR CB C 9 69.790 71.120 -1.330 1
1 25 . 8 1 1 A 9 9 THR N N 9 114.885 117.058 -2.173 1
1 26 . 8 1 1 A 10 10 LYS H H 10 8.284 8.440 -0.156 1
1 27 . 8 1 1 A 10 10 LYS HA H 10 4.281 4.076 0.205 1
1 35 . 8 1 1 A 10 10 LYS C C 10 176.103 176.829 -0.726 1
1 36 . 8 1 1 A 10 10 LYS CA C 10 56.316 56.905 -0.589 1
1 37 . 8 1 1 A 10 10 LYS CB C 10 33.062 32.876 0.186 1
1 41 . 8 1 1 A 10 10 LYS N N 10 123.812 125.801 -1.989 1
1 42 . 8 1 1 A 11 11 TYR H H 11 8.198 8.184 0.014 1
1 43 . 8 1 1 A 11 11 TYR HA H 11 4.569 4.532 0.037 1
1 50 . 8 1 1 A 11 11 TYR C C 11 175.496 176.194 -0.698 1
1 51 . 8 1 1 A 11 11 TYR CA C 11 58.044 59.874 -1.830 1
1 52 . 8 1 1 A 11 11 TYR CB C 11 38.842 38.872 -0.030 1
1 57 . 8 1 1 A 11 11 TYR N N 11 121.375 121.413 -0.038 1
1 58 . 8 1 1 A 12 12 LYS H H 12 8.168 8.509 -0.341 1
1 59 . 8 1 1 A 12 12 LYS HA H 12 4.255 5.220 -0.965 1
1 68 . 8 1 1 A 12 12 LYS C C 12 175.861 175.216 0.645 1
1 69 . 8 1 1 A 12 12 LYS CA C 12 56.050 54.841 1.209 1
1 70 . 8 1 1 A 12 12 LYS CB C 12 33.145 36.496 -3.351 1
1 74 . 8 1 1 A 12 12 LYS N N 12 123.375 123.405 -0.030 1
1 75 . 8 1 1 A 13 13 GLU H H 13 8.386 8.738 -0.352 1
1 76 . 8 1 1 A 13 13 GLU HA H 13 4.285 4.707 -0.422 1
1 81 . 8 1 1 A 13 13 GLU C C 13 176.419 174.875 1.544 1
1 82 . 8 1 1 A 13 13 GLU CA C 13 56.519 55.883 0.636 1
1 83 . 8 1 1 A 13 13 GLU CB C 13 30.261 33.953 -3.692 1
1 85 . 8 1 1 A 13 13 GLU N N 13 122.385 123.332 -0.947 1
1 86 . 8 1 1 A 14 14 ARG H H 14 8.451 8.543 -0.092 1
1 87 . 8 1 1 A 14 14 ARG HA H 14 4.424 4.389 0.035 1
1 94 . 8 1 1 A 14 14 ARG C C 14 175.230 176.208 -0.978 1
1 95 . 8 1 1 A 14 14 ARG CA C 14 55.188 56.296 -1.108 1
1 96 . 8 1 1 A 14 14 ARG CB C 14 31.003 31.609 -0.606 1
1 99 . 8 1 1 A 14 14 ARG N N 14 121.822 125.251 -3.429 1
1 100 . 8 1 1 A 15 15 ALA H H 15 8.444 8.484 -0.040 1
1 101 . 8 1 1 A 15 15 ALA HA H 15 4.633 4.560 0.073 1
1 105 . 8 1 1 A 15 15 ALA C C 15 176.808 177.638 -0.830 1
1 106 . 8 1 1 A 15 15 ALA CA C 15 50.852 50.566 0.286 1
1 107 . 8 1 1 A 15 15 ALA CB C 15 17.938 18.355 -0.417 1
1 108 . 8 1 1 A 15 15 ALA N N 15 125.225 123.208 2.017 1
1 109 . 8 1 1 A 16 16 PRO HA H 16 4.240 4.455 -0.215 1
1 116 . 8 1 1 A 16 16 PRO C C 16 178.993 177.523 1.470 1
1 117 . 8 1 1 A 16 16 PRO CA C 16 65.731 64.429 1.302 1
1 118 . 8 1 1 A 16 16 PRO CB C 16 31.966 31.866 0.100 1
1 121 . 8 1 1 A 17 17 GLU H H 17 9.453 8.529 0.924 1
1 122 . 8 1 1 A 17 17 GLU HA H 17 4.051 4.147 -0.096 1
1 127 . 8 1 1 A 17 17 GLU C C 17 179.550 178.970 0.580 1
1 128 . 8 1 1 A 17 17 GLU CA C 17 59.568 58.876 0.692 1
1 129 . 8 1 1 A 17 17 GLU CB C 17 28.613 30.089 -1.476 1
1 131 . 8 1 1 A 17 17 GLU N N 17 116.527 117.107 -0.580 1
1 132 . 8 1 1 A 18 18 GLN H H 18 7.529 7.913 -0.384 1
1 133 . 8 1 1 A 18 18 GLN HA H 18 4.036 4.005 0.031 1
1 140 . 8 1 1 A 18 18 GLN C C 18 176.977 178.249 -1.272 1
1 141 . 8 1 1 A 18 18 GLN CA C 18 58.785 58.522 0.263 1
1 142 . 8 1 1 A 18 18 GLN CB C 18 28.860 28.390 0.470 1
1 144 . 8 1 1 A 18 18 GLN N N 18 119.048 119.857 -0.809 1
1 146 . 8 1 1 A 19 19 LEU H H 19 7.664 8.067 -0.403 1
1 147 . 8 1 1 A 19 19 LEU HA H 19 3.755 3.655 0.100 1
1 157 . 8 1 1 A 19 19 LEU C C 19 178.410 178.933 -0.523 1
1 158 . 8 1 1 A 19 19 LEU CA C 19 57.516 57.695 -0.179 1
1 159 . 8 1 1 A 19 19 LEU CB C 19 41.276 41.344 -0.068 1
1 163 . 8 1 1 A 19 19 LEU N N 19 117.171 120.628 -3.457 1
1 164 . 8 1 1 A 20 20 ARG H H 20 8.188 8.084 0.104 1
1 165 . 8 1 1 A 20 20 ARG HA H 20 3.998 3.927 0.071 1
1 172 . 8 1 1 A 20 20 ARG C C 20 178.993 178.179 0.814 1
1 173 . 8 1 1 A 20 20 ARG CA C 20 59.333 59.507 -0.174 1
1 174 . 8 1 1 A 20 20 ARG CB C 20 30.096 29.955 0.141 1
1 177 . 8 1 1 A 20 20 ARG N N 20 117.090 119.444 -2.354 1
1 178 . 8 1 1 A 21 21 ALA H H 21 7.176 8.028 -0.852 1
1 179 . 8 1 1 A 21 21 ALA HA H 21 4.092 4.139 -0.047 1
1 183 . 8 1 1 A 21 21 ALA C C 21 180.571 180.047 0.524 1
1 184 . 8 1 1 A 21 21 ALA CA C 21 54.941 54.467 0.474 1
1 185 . 8 1 1 A 21 21 ALA CB C 21 17.858 18.673 -0.815 1
1 186 . 8 1 1 A 21 21 ALA N N 21 121.201 121.479 -0.278 1
1 187 . 8 1 1 A 22 22 LEU H H 22 7.528 7.819 -0.291 1
1 188 . 8 1 1 A 22 22 LEU HA H 22 3.576 3.640 -0.064 1
1 198 . 8 1 1 A 22 22 LEU C C 22 177.779 178.587 -0.808 1
1 199 . 8 1 1 A 22 22 LEU CA C 22 58.185 57.938 0.247 1
1 200 . 8 1 1 A 22 22 LEU CB C 22 38.666 40.722 -2.056 1
1 204 . 8 1 1 A 22 22 LEU N N 22 119.669 119.584 0.085 1
1 205 . 8 1 1 A 23 23 GLU H H 23 8.516 8.516 0.000 1
1 206 . 8 1 1 A 23 23 GLU HA H 23 4.221 4.181 0.040 1
1 211 . 8 1 1 A 23 23 GLU C C 23 180.352 179.308 1.044 1
1 212 . 8 1 1 A 23 23 GLU CA C 23 59.489 60.027 -0.538 1
1 213 . 8 1 1 A 23 23 GLU CB C 23 29.317 29.524 -0.207 1
1 215 . 8 1 1 A 23 23 GLU N N 23 117.420 117.691 -0.271 1
1 216 . 8 1 1 A 24 24 SER H H 24 8.209 7.938 0.271 1
1 217 . 8 1 1 A 24 24 SER HA H 24 4.303 4.235 0.068 1
1 220 . 8 1 1 A 24 24 SER C C 24 176.710 177.122 -0.412 1
1 221 . 8 1 1 A 24 24 SER CA C 24 61.852 61.675 0.177 1
1 222 . 8 1 1 A 24 24 SER CB C 24 62.767 62.910 -0.143 1
1 223 . 8 1 1 A 24 24 SER N N 24 114.551 115.864 -1.313 1
1 224 . 8 1 1 A 25 25 SER H H 25 7.396 8.006 -0.610 1
1 225 . 8 1 1 A 25 25 SER HA H 25 4.388 4.291 0.097 1
1 228 . 8 1 1 A 25 25 SER C C 25 177.415 176.839 0.576 1
1 229 . 8 1 1 A 25 25 SER CA C 25 61.428 61.329 0.099 1
1 230 . 8 1 1 A 25 25 SER CB C 25 63.319 62.982 0.337 1
1 231 . 8 1 1 A 25 25 SER N N 25 115.081 115.735 -0.654 1
1 232 . 8 1 1 A 26 26 PHE H H 26 9.019 9.023 -0.004 1
1 233 . 8 1 1 A 26 26 PHE HA H 26 4.201 4.522 -0.321 1
1 241 . 8 1 1 A 26 26 PHE C C 26 176.419 177.162 -0.743 1
1 242 . 8 1 1 A 26 26 PHE CA C 26 62.239 62.514 -0.275 1
1 243 . 8 1 1 A 26 26 PHE CB C 26 39.437 39.467 -0.030 1
1 249 . 8 1 1 A 26 26 PHE N N 26 120.609 123.305 -2.696 1
1 250 . 8 1 1 A 27 27 ALA H H 27 8.045 7.883 0.162 1
1 251 . 8 1 1 A 27 27 ALA HA H 27 4.062 4.040 0.022 1
1 255 . 8 1 1 A 27 27 ALA C C 27 179.478 179.866 -0.388 1
1 256 . 8 1 1 A 27 27 ALA CA C 27 53.940 54.974 -1.034 1
1 257 . 8 1 1 A 27 27 ALA CB C 27 18.395 18.447 -0.052 1
1 258 . 8 1 1 A 27 27 ALA N N 27 116.245 121.181 -4.936 1
1 259 . 8 1 1 A 28 28 GLN H H 28 7.416 7.634 -0.218 1
1 260 . 8 1 1 A 28 28 GLN HA H 28 4.198 4.234 -0.036 1
1 267 . 8 1 1 A 28 28 GLN C C 28 177.124 176.147 0.977 1
1 268 . 8 1 1 A 28 28 GLN CA C 28 57.586 58.142 -0.556 1
1 269 . 8 1 1 A 28 28 GLN CB C 28 29.250 29.429 -0.179 1
1 271 . 8 1 1 A 28 28 GLN N N 28 115.857 115.305 0.552 1
1 273 . 8 1 1 A 29 29 ASN H H 29 8.006 7.547 0.459 1
1 274 . 8 1 1 A 29 29 ASN HA H 29 4.780 4.988 -0.208 1
1 279 . 8 1 1 A 29 29 ASN C C 29 172.728 174.849 -2.121 1
1 280 . 8 1 1 A 29 29 ASN CA C 29 51.028 50.747 0.281 1
1 281 . 8 1 1 A 29 29 ASN CB C 29 39.656 41.019 -1.363 1
1 282 . 8 1 1 A 29 29 ASN N N 29 114.892 114.422 0.470 1
1 284 . 8 1 1 A 30 30 PRO HA H 30 4.218 4.877 -0.659 1
1 291 . 8 1 1 A 30 30 PRO C C 30 174.525 176.572 -2.047 1
1 292 . 8 1 1 A 30 30 PRO CA C 30 63.827 64.913 -1.086 1
1 293 . 8 1 1 A 30 30 PRO CB C 30 33.212 32.253 0.959 1
1 296 . 8 1 1 A 31 31 LEU H H 31 7.568 7.997 -0.429 1
1 297 . 8 1 1 A 31 31 LEU HA H 31 4.709 4.474 0.235 1
1 307 . 8 1 1 A 31 31 LEU C C 31 172.607 173.668 -1.061 1
1 308 . 8 1 1 A 31 31 LEU CA C 31 51.944 51.796 0.148 1
1 309 . 8 1 1 A 31 31 LEU CB C 31 42.822 42.918 -0.096 1
1 313 . 8 1 1 A 31 31 LEU N N 31 120.819 118.066 2.753 1
1 314 . 8 1 1 A 32 32 PRO HA H 32 4.073 4.525 -0.452 1
1 321 . 8 1 1 A 32 32 PRO C C 32 177.293 177.047 0.246 1
1 322 . 8 1 1 A 32 32 PRO CA C 32 62.627 62.477 0.150 1
1 323 . 8 1 1 A 32 32 PRO CB C 32 31.663 31.951 -0.288 1
1 326 . 8 1 1 A 33 33 LEU H H 33 8.254 8.413 -0.159 1
1 327 . 8 1 1 A 33 33 LEU HA H 33 4.410 4.608 -0.198 1
1 337 . 8 1 1 A 33 33 LEU C C 33 178.312 177.815 0.497 1
1 338 . 8 1 1 A 33 33 LEU CA C 33 53.742 53.813 -0.071 1
1 339 . 8 1 1 A 33 33 LEU CB C 33 42.620 42.797 -0.177 1
1 343 . 8 1 1 A 33 33 LEU N N 33 119.030 121.775 -2.745 1
1 344 . 8 1 1 A 34 34 ASP H H 34 8.532 9.018 -0.486 1
1 345 . 8 1 1 A 34 34 ASP HA H 34 4.187 4.335 -0.148 1
1 348 . 8 1 1 A 34 34 ASP C C 34 177.731 178.313 -0.582 1
1 349 . 8 1 1 A 34 34 ASP CA C 34 58.678 57.130 1.548 1
1 350 . 8 1 1 A 34 34 ASP CB C 34 40.871 40.062 0.809 1
1 351 . 8 1 1 A 34 34 ASP N N 34 120.283 120.990 -0.707 1
1 352 . 8 1 1 A 35 35 GLU H H 35 8.841 8.149 0.692 1
1 353 . 8 1 1 A 35 35 GLU HA H 35 4.135 4.022 0.113 1
1 358 . 8 1 1 A 35 35 GLU C C 35 178.919 178.782 0.137 1
1 359 . 8 1 1 A 35 35 GLU CA C 35 59.801 59.409 0.392 1
1 360 . 8 1 1 A 35 35 GLU CB C 35 28.860 29.371 -0.511 1
1 362 . 8 1 1 A 35 35 GLU N N 35 116.076 119.342 -3.266 1
1 363 . 8 1 1 A 36 36 GLU H H 36 7.242 8.212 -0.970 1
1 364 . 8 1 1 A 36 36 GLU HA H 36 4.762 4.041 0.721 1
1 369 . 8 1 1 A 36 36 GLU C C 36 178.264 178.594 -0.330 1
1 370 . 8 1 1 A 36 36 GLU CA C 36 57.303 58.923 -1.620 1
1 371 . 8 1 1 A 36 36 GLU CB C 36 28.799 29.667 -0.868 1
1 373 . 8 1 1 A 36 36 GLU N N 36 121.997 120.386 1.611 1
1 374 . 8 1 1 A 37 37 LEU H H 37 7.778 8.048 -0.270 1
1 375 . 8 1 1 A 37 37 LEU HA H 37 3.956 4.186 -0.230 1
1 385 . 8 1 1 A 37 37 LEU C C 37 179.381 178.804 0.577 1
1 386 . 8 1 1 A 37 37 LEU CA C 37 58.608 57.585 1.023 1
1 387 . 8 1 1 A 37 37 LEU CB C 37 41.227 41.187 0.040 1
1 391 . 8 1 1 A 37 37 LEU N N 37 120.816 119.972 0.844 1
1 392 . 8 1 1 A 38 38 ASP H H 38 8.446 8.614 -0.168 1
1 393 . 8 1 1 A 38 38 ASP HA H 38 4.455 4.371 0.084 1
1 396 . 8 1 1 A 38 38 ASP C C 38 179.162 178.558 0.604 1
1 397 . 8 1 1 A 38 38 ASP CA C 38 57.550 57.570 -0.020 1
1 398 . 8 1 1 A 38 38 ASP CB C 38 40.313 42.159 -1.846 1
1 399 . 8 1 1 A 38 38 ASP N N 38 118.274 119.622 -1.348 1
1 400 . 8 1 1 A 39 39 ARG H H 39 7.964 7.495 0.469 1
1 401 . 8 1 1 A 39 39 ARG HA H 39 4.066 4.091 -0.025 1
1 409 . 8 1 1 A 39 39 ARG C C 39 179.867 179.058 0.809 1
1 410 . 8 1 1 A 39 39 ARG CA C 39 59.801 59.150 0.651 1
1 411 . 8 1 1 A 39 39 ARG CB C 39 29.849 29.845 0.004 1
1 414 . 8 1 1 A 39 39 ARG N N 39 123.855 120.353 3.502 1
1 416 . 8 1 1 A 40 40 LEU H H 40 8.686 7.931 0.755 1
1 417 . 8 1 1 A 40 40 LEU HA H 40 4.045 3.937 0.108 1
1 427 . 8 1 1 A 40 40 LEU C C 40 180.716 179.280 1.436 1
1 428 . 8 1 1 A 40 40 LEU CA C 40 57.782 58.062 -0.280 1
1 429 . 8 1 1 A 40 40 LEU CB C 40 43.153 41.618 1.535 1
1 433 . 8 1 1 A 40 40 LEU N N 40 118.936 119.872 -0.936 1
1 434 . 8 1 1 A 41 41 ARG H H 41 8.500 8.748 -0.248 1
1 435 . 8 1 1 A 41 41 ARG HA H 41 4.078 4.124 -0.046 1
1 442 . 8 1 1 A 41 41 ARG C C 41 178.702 178.918 -0.216 1
1 443 . 8 1 1 A 41 41 ARG CA C 41 60.336 59.672 0.664 1
1 444 . 8 1 1 A 41 41 ARG CB C 41 29.767 30.020 -0.253 1
1 447 . 8 1 1 A 41 41 ARG N N 41 125.386 119.240 6.146 1
1 448 . 8 1 1 A 42 42 SER H H 42 7.762 7.948 -0.186 1
1 449 . 8 1 1 A 42 42 SER HA H 42 4.238 4.207 0.031 1
1 452 . 8 1 1 A 42 42 SER C C 42 176.030 175.567 0.463 1
1 453 . 8 1 1 A 42 42 SER CA C 42 61.535 61.632 -0.097 1
1 454 . 8 1 1 A 42 42 SER CB C 42 62.892 63.194 -0.302 1
1 455 . 8 1 1 A 42 42 SER N N 42 114.493 116.516 -2.023 1
1 456 . 8 1 1 A 43 43 GLU H H 43 8.031 7.930 0.101 1
1 457 . 8 1 1 A 43 43 GLU HA H 43 4.220 4.293 -0.073 1
1 462 . 8 1 1 A 43 43 GLU C C 43 178.264 178.834 -0.570 1
1 463 . 8 1 1 A 43 43 GLU CA C 43 58.855 58.408 0.447 1
1 464 . 8 1 1 A 43 43 GLU CB C 43 30.959 30.496 0.463 1
1 466 . 8 1 1 A 43 43 GLU N N 43 118.451 120.323 -1.872 1
1 467 . 8 1 1 A 44 44 THR H H 44 8.387 8.395 -0.008 1
1 468 . 8 1 1 A 44 44 THR HA H 44 4.333 4.127 0.206 1
1 473 . 8 1 1 A 44 44 THR C C 44 175.787 174.824 0.963 1
1 474 . 8 1 1 A 44 44 THR CA C 44 63.333 64.008 -0.675 1
1 475 . 8 1 1 A 44 44 THR CB C 44 72.112 70.029 2.083 1
1 477 . 8 1 1 A 44 44 THR N N 44 105.689 111.740 -6.051 1
1 478 . 8 1 1 A 45 45 LYS H H 45 7.962 7.757 0.205 1
1 479 . 8 1 1 A 45 45 LYS HA H 45 4.042 4.133 -0.091 1
1 488 . 8 1 1 A 45 45 LYS C C 45 176.298 174.810 1.488 1
1 489 . 8 1 1 A 45 45 LYS CA C 45 57.934 57.342 0.592 1
1 490 . 8 1 1 A 45 45 LYS CB C 45 29.024 29.395 -0.371 1
1 494 . 8 1 1 A 45 45 LYS N N 45 115.260 116.940 -1.680 1
1 495 . 8 1 1 A 46 46 MET H H 46 7.750 7.402 0.348 1
1 496 . 8 1 1 A 46 46 MET HA H 46 4.498 5.100 -0.602 1
1 504 . 8 1 1 A 46 46 MET C C 46 176.127 175.116 1.011 1
1 505 . 8 1 1 A 46 46 MET CA C 46 55.788 54.033 1.755 1
1 506 . 8 1 1 A 46 46 MET CB C 46 36.233 37.130 -0.897 1
1 509 . 8 1 1 A 46 46 MET N N 46 119.026 116.201 2.825 1
1 510 . 8 1 1 A 47 47 THR H H 47 8.712 8.362 0.350 1
1 511 . 8 1 1 A 47 47 THR HA H 47 4.376 4.895 -0.519 1
1 516 . 8 1 1 A 47 47 THR C C 47 175.812 176.332 -0.520 1
1 517 . 8 1 1 A 47 47 THR CA C 47 61.011 59.456 1.555 1
1 518 . 8 1 1 A 47 47 THR CB C 47 70.885 72.046 -1.161 1
1 520 . 8 1 1 A 47 47 THR N N 47 109.504 111.437 -1.933 1
1 521 . 8 1 1 A 48 48 ARG H H 48 9.074 8.976 0.098 1
1 522 . 8 1 1 A 48 48 ARG HA H 48 3.910 4.029 -0.119 1
1 530 . 8 1 1 A 48 48 ARG C C 48 178.119 178.695 -0.576 1
1 531 . 8 1 1 A 48 48 ARG CA C 48 59.242 59.804 -0.562 1
1 532 . 8 1 1 A 48 48 ARG CB C 48 29.189 29.934 -0.745 1
1 535 . 8 1 1 A 48 48 ARG N N 48 120.559 122.214 -1.655 1
1 537 . 8 1 1 A 49 49 ARG H H 49 8.384 8.095 0.289 1
1 538 . 8 1 1 A 49 49 ARG HA H 49 4.237 4.112 0.125 1
1 545 . 8 1 1 A 49 49 ARG C C 49 179.478 178.984 0.494 1
1 546 . 8 1 1 A 49 49 ARG CA C 49 59.419 59.140 0.279 1
1 547 . 8 1 1 A 49 49 ARG CB C 49 30.014 29.932 0.082 1
1 550 . 8 1 1 A 49 49 ARG N N 49 117.267 120.152 -2.885 1
1 551 . 8 1 1 A 50 50 GLU H H 50 7.869 7.702 0.167 1
1 552 . 8 1 1 A 50 50 GLU HA H 50 4.073 4.179 -0.106 1
1 557 . 8 1 1 A 50 50 GLU C C 50 180.036 178.861 1.175 1
1 558 . 8 1 1 A 50 50 GLU CA C 50 59.419 59.305 0.114 1
1 559 . 8 1 1 A 50 50 GLU CB C 50 30.672 29.253 1.419 1
1 561 . 8 1 1 A 50 50 GLU N N 50 119.568 119.260 0.308 1
1 562 . 8 1 1 A 51 51 ILE H H 51 8.451 8.237 0.214 1
1 563 . 8 1 1 A 51 51 ILE HA H 51 3.795 3.836 -0.041 1
1 573 . 8 1 1 A 51 51 ILE C C 51 177.706 177.708 -0.002 1
1 574 . 8 1 1 A 51 51 ILE CA C 51 66.329 64.872 1.457 1
1 575 . 8 1 1 A 51 51 ILE CB C 51 38.715 38.031 0.684 1
1 579 . 8 1 1 A 51 51 ILE N N 51 122.516 121.861 0.655 1
1 580 . 8 1 1 A 52 52 ASP H H 52 9.078 8.648 0.430 1
1 581 . 8 1 1 A 52 52 ASP HA H 52 4.561 4.548 0.013 1
1 584 . 8 1 1 A 52 52 ASP C C 52 180.085 178.716 1.369 1
1 585 . 8 1 1 A 52 52 ASP CA C 52 58.249 57.821 0.428 1
1 586 . 8 1 1 A 52 52 ASP CB C 52 40.908 41.669 -0.761 1
1 587 . 8 1 1 A 52 52 ASP N N 52 121.201 121.121 0.080 1
1 588 . 8 1 1 A 53 53 SER H H 53 8.298 7.965 0.333 1
1 589 . 8 1 1 A 53 53 SER HA H 53 4.362 4.218 0.144 1
1 592 . 8 1 1 A 53 53 SER C C 53 175.934 176.040 -0.106 1
1 593 . 8 1 1 A 53 53 SER CA C 53 61.928 62.414 -0.486 1
1 594 . 8 1 1 A 53 53 SER CB C 53 62.974 63.073 -0.099 1
1 595 . 8 1 1 A 53 53 SER N N 53 114.616 115.513 -0.897 1
1 596 . 8 1 1 A 54 54 TRP H H 54 8.315 8.210 0.105 1
1 597 . 8 1 1 A 54 54 TRP HA H 54 3.993 4.240 -0.247 1
1 606 . 8 1 1 A 54 54 TRP C C 54 179.453 177.807 1.646 1
1 607 . 8 1 1 A 54 54 TRP CA C 54 63.191 61.283 1.908 1
1 608 . 8 1 1 A 54 54 TRP CB C 54 28.777 30.123 -1.346 1
1 614 . 8 1 1 A 54 54 TRP N N 54 123.444 123.883 -0.439 1
1 616 . 8 1 1 A 55 55 PHE H H 55 9.110 8.159 0.951 1
1 617 . 8 1 1 A 55 55 PHE HA H 55 3.880 4.030 -0.150 1
1 625 . 8 1 1 A 55 55 PHE C C 55 178.119 178.341 -0.222 1
1 626 . 8 1 1 A 55 55 PHE CA C 55 63.563 61.699 1.864 1
1 627 . 8 1 1 A 55 55 PHE CB C 55 39.721 39.401 0.320 1
1 633 . 8 1 1 A 55 55 PHE N N 55 119.065 118.390 0.675 1
1 634 . 8 1 1 A 56 56 SER H H 56 8.330 8.406 -0.076 1
1 635 . 8 1 1 A 56 56 SER HA H 56 4.173 4.282 -0.109 1
1 638 . 8 1 1 A 56 56 SER C C 56 177.851 175.689 2.162 1
1 639 . 8 1 1 A 56 56 SER CA C 56 61.958 61.013 0.945 1
1 640 . 8 1 1 A 56 56 SER CB C 56 62.727 62.680 0.047 1
1 641 . 8 1 1 A 56 56 SER N N 56 113.028 114.466 -1.438 1
1 642 . 8 1 1 A 57 57 GLU H H 57 8.070 8.041 0.029 1
1 643 . 8 1 1 A 57 57 GLU HA H 57 3.922 4.196 -0.274 1
1 648 . 8 1 1 A 57 57 GLU C C 57 178.895 178.327 0.568 1
1 649 . 8 1 1 A 57 57 GLU CA C 57 58.629 57.355 1.274 1
1 650 . 8 1 1 A 57 57 GLU CB C 57 29.107 30.069 -0.962 1
1 652 . 8 1 1 A 57 57 GLU N N 57 119.996 119.985 0.011 1
1 653 . 8 1 1 A 58 58 ARG H H 58 8.048 7.716 0.332 1
1 654 . 8 1 1 A 58 58 ARG HA H 58 3.489 3.665 -0.176 1
1 662 . 8 1 1 A 58 58 ARG C C 58 179.186 178.317 0.869 1
1 663 . 8 1 1 A 58 58 ARG CA C 58 56.770 58.606 -1.836 1
1 664 . 8 1 1 A 58 58 ARG CB C 58 28.145 29.208 -1.063 1
1 667 . 8 1 1 A 58 58 ARG N N 58 122.160 121.073 1.087 1
1 669 . 8 1 1 A 59 59 ARG H H 59 8.093 7.940 0.153 1
1 670 . 8 1 1 A 59 59 ARG HA H 59 4.212 4.186 0.026 1
1 677 . 8 1 1 A 59 59 ARG C C 59 178.458 177.486 0.972 1
1 678 . 8 1 1 A 59 59 ARG CA C 59 60.019 58.877 1.142 1
1 679 . 8 1 1 A 59 59 ARG CB C 59 31.689 29.864 1.825 1
1 682 . 8 1 1 A 59 59 ARG N N 59 116.818 118.077 -1.259 1
1 683 . 8 1 1 A 60 60 LYS H H 60 7.418 7.938 -0.520 1
1 684 . 8 1 1 A 60 60 LYS HA H 60 4.154 4.089 0.065 1
1 693 . 8 1 1 A 60 60 LYS C C 60 177.803 178.783 -0.980 1
1 694 . 8 1 1 A 60 60 LYS CA C 60 58.327 59.026 -0.699 1
1 695 . 8 1 1 A 60 60 LYS CB C 60 32.651 32.289 0.362 1
1 699 . 8 1 1 A 60 60 LYS N N 60 117.893 118.539 -0.646 1
1 700 . 8 1 1 A 61 61 LYS H H 61 7.510 7.800 -0.290 1
1 701 . 8 1 1 A 61 61 LYS HA H 61 4.177 3.977 0.200 1
1 710 . 8 1 1 A 61 61 LYS C C 61 177.317 179.228 -1.911 1
1 711 . 8 1 1 A 61 61 LYS CA C 61 57.516 59.448 -1.932 1
1 712 . 8 1 1 A 61 61 LYS CB C 61 32.809 32.274 0.535 1
1 716 . 8 1 1 A 61 61 LYS N N 61 119.359 119.527 -0.168 1
1 717 . 8 1 1 A 62 62 VAL H H 62 7.805 8.074 -0.269 1
1 718 . 8 1 1 A 62 62 VAL HA H 62 4.013 3.608 0.405 1
1 726 . 8 1 1 A 62 62 VAL C C 62 176.784 177.871 -1.087 1
1 727 . 8 1 1 A 62 62 VAL CA C 62 63.755 66.279 -2.524 1
1 728 . 8 1 1 A 62 62 VAL CB C 62 32.365 31.611 0.754 1
1 731 . 8 1 1 A 62 62 VAL N N 62 119.337 120.269 -0.932 1
1 732 . 8 1 1 A 63 63 ASN H H 63 8.282 8.252 0.030 1
1 733 . 8 1 1 A 63 63 ASN HA H 63 4.700 4.482 0.218 1
1 738 . 8 1 1 A 63 63 ASN C C 63 175.594 176.615 -1.021 1
1 739 . 8 1 1 A 63 63 ASN CA C 63 53.962 56.158 -2.196 1
1 740 . 8 1 1 A 63 63 ASN CB C 63 38.913 38.279 0.634 1
1 741 . 8 1 1 A 63 63 ASN N N 63 120.443 118.653 1.790 1
1 743 . 8 1 1 A 64 64 ALA H H 64 8.225 7.183 1.042 1
1 744 . 8 1 1 A 64 64 ALA HA H 64 4.290 4.402 -0.112 1
1 748 . 8 1 1 A 64 64 ALA C C 64 178.312 175.901 2.411 1
1 749 . 8 1 1 A 64 64 ALA CA C 64 53.319 51.526 1.793 1
1 750 . 8 1 1 A 64 64 ALA CB C 64 19.055 17.464 1.591 1
1 751 . 8 1 1 A 64 64 ALA N N 64 123.747 119.990 3.757 1
1 752 . 8 1 1 A 65 65 GLU H H 65 8.262 7.875 0.387 1
1 753 . 8 1 1 A 65 65 GLU HA H 65 4.233 4.867 -0.634 1
1 758 . 8 1 1 A 65 65 GLU C C 65 177.244 175.075 2.169 1
1 759 . 8 1 1 A 65 65 GLU CA C 65 57.269 54.815 2.454 1
1 760 . 8 1 1 A 65 65 GLU CB C 65 30.114 34.214 -4.100 1
1 762 . 8 1 1 A 65 65 GLU N N 65 118.780 117.246 1.534 1
1 763 . 8 1 1 A 66 66 GLU H H 66 8.327 8.730 -0.403 1
1 764 . 8 1 1 A 66 66 GLU HA H 66 4.301 4.755 -0.454 1
1 769 . 8 1 1 A 66 66 GLU C C 66 177.244 176.433 0.811 1
1 770 . 8 1 1 A 66 66 GLU CA C 66 57.197 54.649 2.548 1
1 771 . 8 1 1 A 66 66 GLU CB C 66 30.227 32.293 -2.066 1
1 773 . 8 1 1 A 66 66 GLU N N 66 120.955 120.991 -0.036 1
1 774 . 8 1 1 A 67 67 THR H H 67 8.135 9.015 -0.880 1
1 775 . 8 1 1 A 67 67 THR HA H 67 4.280 4.492 -0.212 1
1 780 . 8 1 1 A 67 67 THR C C 67 174.816 173.773 1.043 1
1 781 . 8 1 1 A 67 67 THR CA C 67 62.615 63.484 -0.869 1
1 782 . 8 1 1 A 67 67 THR CB C 67 69.648 71.371 -1.723 1
1 784 . 8 1 1 A 67 67 THR N N 67 114.856 117.212 -2.356 1
1 785 . 8 1 1 A 68 68 LYS H H 68 8.202 7.536 0.666 1
1 786 . 8 1 1 A 68 68 LYS HA H 68 4.327 4.653 -0.326 1
1 795 . 8 1 1 A 68 68 LYS C C 68 176.637 174.286 2.351 1
1 796 . 8 1 1 A 68 68 LYS CA C 68 56.599 56.076 0.523 1
1 797 . 8 1 1 A 68 68 LYS CB C 68 32.898 36.355 -3.457 1
1 801 . 8 1 1 A 68 68 LYS N N 68 123.462 119.842 3.620 1
1 802 . 8 1 1 A 69 69 LYS H H 69 8.300 8.608 -0.308 1
1 803 . 8 1 1 A 69 69 LYS HA H 69 4.375 4.886 -0.511 1
1 812 . 8 1 1 A 69 69 LYS C C 69 176.661 175.050 1.611 1
1 813 . 8 1 1 A 69 69 LYS CA C 69 56.458 54.677 1.781 1
1 814 . 8 1 1 A 69 69 LYS CB C 69 33.145 36.129 -2.984 1
1 818 . 8 1 1 A 69 69 LYS N N 69 122.321 125.028 -2.707 1
1 819 . 8 1 1 A 70 70 SER H H 70 8.330 8.915 -0.585 1
1 820 . 8 1 1 A 70 70 SER HA H 70 4.536 4.543 -0.007 1
1 823 . 8 1 1 A 70 70 SER C C 70 174.525 174.098 0.427 1
1 824 . 8 1 1 A 70 70 SER CA C 70 58.361 59.027 -0.666 1
1 825 . 8 1 1 A 70 70 SER CB C 70 64.022 63.717 0.305 1
1 826 . 8 1 1 A 70 70 SER N N 70 116.687 120.594 -3.907 1
1 827 . 8 1 1 A 71 71 GLY H H 71 8.250 8.270 -0.020 1
1 828 . 8 1 1 A 71 71 GLY C C 71 171.782 174.093 -2.311 1
1 829 . 8 1 1 A 71 71 GLY CA C 71 44.717 45.794 -1.077 1
1 830 . 8 1 1 A 71 71 GLY N N 71 110.366 112.151 -1.785 1
1 831 . 8 1 1 A 72 72 PRO HA H 72 4.141 4.439 -0.298 1
1 832 . 8 1 1 A 74 74 SER HA H 74 4.526 4.622 -0.096 1
1 835 . 8 1 1 A 74 74 SER C C 74 173.918 174.287 -0.369 1
1 836 . 8 1 1 A 74 74 SER CA C 74 58.528 59.172 -0.644 1
1 837 . 8 1 1 A 74 74 SER CB C 74 63.972 63.036 0.936 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 4.146 4.313 -0.167 1
1 2 . 9 1 1 A 7 7 GLY CA C 7 44.691 45.401 -0.710 1
1 3 . 9 1 1 A 8 8 PRO HA H 8 4.512 4.657 -0.145 1
1 10 . 9 1 1 A 8 8 PRO C C 8 177.365 175.858 1.507 1
1 11 . 9 1 1 A 8 8 PRO CA C 8 63.297 62.431 0.866 1
1 12 . 9 1 1 A 8 8 PRO CB C 8 32.239 32.954 -0.715 1
1 15 . 9 1 1 A 9 9 THR H H 9 8.295 8.361 -0.066 1
1 16 . 9 1 1 A 9 9 THR HA H 9 4.271 4.879 -0.608 1
1 21 . 9 1 1 A 9 9 THR C C 9 174.452 172.827 1.625 1
1 22 . 9 1 1 A 9 9 THR CA C 9 62.276 59.949 2.327 1
1 23 . 9 1 1 A 9 9 THR CB C 9 69.790 71.473 -1.683 1
1 25 . 9 1 1 A 9 9 THR N N 9 114.885 115.764 -0.879 1
1 26 . 9 1 1 A 10 10 LYS H H 10 8.284 8.349 -0.065 1
1 27 . 9 1 1 A 10 10 LYS HA H 10 4.281 4.549 -0.268 1
1 35 . 9 1 1 A 10 10 LYS C C 10 176.103 176.232 -0.129 1
1 36 . 9 1 1 A 10 10 LYS CA C 10 56.316 54.008 2.308 1
1 37 . 9 1 1 A 10 10 LYS CB C 10 33.062 36.365 -3.303 1
1 41 . 9 1 1 A 10 10 LYS N N 10 123.812 122.142 1.670 1
1 42 . 9 1 1 A 11 11 TYR H H 11 8.198 8.822 -0.624 1
1 43 . 9 1 1 A 11 11 TYR HA H 11 4.569 4.222 0.347 1
1 50 . 9 1 1 A 11 11 TYR C C 11 175.496 176.286 -0.790 1
1 51 . 9 1 1 A 11 11 TYR CA C 11 58.044 60.545 -2.501 1
1 52 . 9 1 1 A 11 11 TYR CB C 11 38.842 39.023 -0.181 1
1 57 . 9 1 1 A 11 11 TYR N N 11 121.375 121.880 -0.505 1
1 58 . 9 1 1 A 12 12 LYS H H 12 8.168 8.030 0.138 1
1 59 . 9 1 1 A 12 12 LYS HA H 12 4.255 4.828 -0.573 1
1 68 . 9 1 1 A 12 12 LYS C C 12 175.861 175.239 0.622 1
1 69 . 9 1 1 A 12 12 LYS CA C 12 56.050 54.959 1.091 1
1 70 . 9 1 1 A 12 12 LYS CB C 12 33.145 34.909 -1.764 1
1 74 . 9 1 1 A 12 12 LYS N N 12 123.375 117.680 5.695 1
1 75 . 9 1 1 A 13 13 GLU H H 13 8.386 8.912 -0.526 1
1 76 . 9 1 1 A 13 13 GLU HA H 13 4.285 4.879 -0.594 1
1 81 . 9 1 1 A 13 13 GLU C C 13 176.419 176.280 0.139 1
1 82 . 9 1 1 A 13 13 GLU CA C 13 56.519 54.608 1.911 1
1 83 . 9 1 1 A 13 13 GLU CB C 13 30.261 32.650 -2.389 1
1 85 . 9 1 1 A 13 13 GLU N N 13 122.385 124.124 -1.739 1
1 86 . 9 1 1 A 14 14 ARG H H 14 8.451 8.472 -0.021 1
1 87 . 9 1 1 A 14 14 ARG HA H 14 4.424 4.250 0.174 1
1 94 . 9 1 1 A 14 14 ARG C C 14 175.230 176.543 -1.313 1
1 95 . 9 1 1 A 14 14 ARG CA C 14 55.188 57.264 -2.076 1
1 96 . 9 1 1 A 14 14 ARG CB C 14 31.003 30.971 0.032 1
1 99 . 9 1 1 A 14 14 ARG N N 14 121.822 124.115 -2.293 1
1 100 . 9 1 1 A 15 15 ALA H H 15 8.444 8.465 -0.021 1
1 101 . 9 1 1 A 15 15 ALA HA H 15 4.633 4.477 0.156 1
1 105 . 9 1 1 A 15 15 ALA C C 15 176.808 177.685 -0.877 1
1 106 . 9 1 1 A 15 15 ALA CA C 15 50.852 50.970 -0.118 1
1 107 . 9 1 1 A 15 15 ALA CB C 15 17.938 17.848 0.090 1
1 108 . 9 1 1 A 15 15 ALA N N 15 125.225 123.683 1.542 1
1 109 . 9 1 1 A 16 16 PRO HA H 16 4.240 4.472 -0.232 1
1 116 . 9 1 1 A 16 16 PRO C C 16 178.993 177.556 1.437 1
1 117 . 9 1 1 A 16 16 PRO CA C 16 65.731 64.462 1.269 1
1 118 . 9 1 1 A 16 16 PRO CB C 16 31.966 31.793 0.173 1
1 121 . 9 1 1 A 17 17 GLU H H 17 9.453 8.529 0.924 1
1 122 . 9 1 1 A 17 17 GLU HA H 17 4.051 4.139 -0.088 1
1 127 . 9 1 1 A 17 17 GLU C C 17 179.550 178.762 0.788 1
1 128 . 9 1 1 A 17 17 GLU CA C 17 59.568 59.001 0.567 1
1 129 . 9 1 1 A 17 17 GLU CB C 17 28.613 30.307 -1.694 1
1 131 . 9 1 1 A 17 17 GLU N N 17 116.527 117.056 -0.529 1
1 132 . 9 1 1 A 18 18 GLN H H 18 7.529 7.926 -0.397 1
1 133 . 9 1 1 A 18 18 GLN HA H 18 4.036 3.979 0.057 1
1 140 . 9 1 1 A 18 18 GLN C C 18 176.977 178.227 -1.250 1
1 141 . 9 1 1 A 18 18 GLN CA C 18 58.785 58.574 0.211 1
1 142 . 9 1 1 A 18 18 GLN CB C 18 28.860 28.276 0.584 1
1 144 . 9 1 1 A 18 18 GLN N N 18 119.048 119.830 -0.782 1
1 146 . 9 1 1 A 19 19 LEU H H 19 7.664 8.109 -0.445 1
1 147 . 9 1 1 A 19 19 LEU HA H 19 3.755 3.651 0.104 1
1 157 . 9 1 1 A 19 19 LEU C C 19 178.410 178.822 -0.412 1
1 158 . 9 1 1 A 19 19 LEU CA C 19 57.516 57.563 -0.047 1
1 159 . 9 1 1 A 19 19 LEU CB C 19 41.276 41.548 -0.272 1
1 163 . 9 1 1 A 19 19 LEU N N 19 117.171 120.292 -3.121 1
1 164 . 9 1 1 A 20 20 ARG H H 20 8.188 8.176 0.012 1
1 165 . 9 1 1 A 20 20 ARG HA H 20 3.998 3.974 0.024 1
1 172 . 9 1 1 A 20 20 ARG C C 20 178.993 177.999 0.994 1
1 173 . 9 1 1 A 20 20 ARG CA C 20 59.333 59.344 -0.011 1
1 174 . 9 1 1 A 20 20 ARG CB C 20 30.096 30.026 0.070 1
1 177 . 9 1 1 A 20 20 ARG N N 20 117.090 118.718 -1.628 1
1 178 . 9 1 1 A 21 21 ALA H H 21 7.176 7.898 -0.722 1
1 179 . 9 1 1 A 21 21 ALA HA H 21 4.092 4.292 -0.200 1
1 183 . 9 1 1 A 21 21 ALA C C 21 180.571 179.886 0.685 1
1 184 . 9 1 1 A 21 21 ALA CA C 21 54.941 54.158 0.783 1
1 185 . 9 1 1 A 21 21 ALA CB C 21 17.858 18.790 -0.932 1
1 186 . 9 1 1 A 21 21 ALA N N 21 121.201 121.257 -0.056 1
1 187 . 9 1 1 A 22 22 LEU H H 22 7.528 8.096 -0.568 1
1 188 . 9 1 1 A 22 22 LEU HA H 22 3.576 3.646 -0.070 1
1 198 . 9 1 1 A 22 22 LEU C C 22 177.779 178.501 -0.722 1
1 199 . 9 1 1 A 22 22 LEU CA C 22 58.185 57.797 0.388 1
1 200 . 9 1 1 A 22 22 LEU CB C 22 38.666 40.635 -1.969 1
1 204 . 9 1 1 A 22 22 LEU N N 22 119.669 119.848 -0.179 1
1 205 . 9 1 1 A 23 23 GLU H H 23 8.516 8.585 -0.069 1
1 206 . 9 1 1 A 23 23 GLU HA H 23 4.221 4.141 0.080 1
1 211 . 9 1 1 A 23 23 GLU C C 23 180.352 179.167 1.185 1
1 212 . 9 1 1 A 23 23 GLU CA C 23 59.489 59.947 -0.458 1
1 213 . 9 1 1 A 23 23 GLU CB C 23 29.317 29.528 -0.211 1
1 215 . 9 1 1 A 23 23 GLU N N 23 117.420 117.705 -0.285 1
1 216 . 9 1 1 A 24 24 SER H H 24 8.209 7.854 0.355 1
1 217 . 9 1 1 A 24 24 SER HA H 24 4.303 4.232 0.071 1
1 220 . 9 1 1 A 24 24 SER C C 24 176.710 177.285 -0.575 1
1 221 . 9 1 1 A 24 24 SER CA C 24 61.852 61.655 0.197 1
1 222 . 9 1 1 A 24 24 SER CB C 24 62.767 62.953 -0.186 1
1 223 . 9 1 1 A 24 24 SER N N 24 114.551 116.200 -1.649 1
1 224 . 9 1 1 A 25 25 SER H H 25 7.396 7.885 -0.489 1
1 225 . 9 1 1 A 25 25 SER HA H 25 4.388 4.299 0.089 1
1 228 . 9 1 1 A 25 25 SER C C 25 177.415 177.078 0.337 1
1 229 . 9 1 1 A 25 25 SER CA C 25 61.428 61.555 -0.127 1
1 230 . 9 1 1 A 25 25 SER CB C 25 63.319 62.948 0.371 1
1 231 . 9 1 1 A 25 25 SER N N 25 115.081 115.665 -0.584 1
1 232 . 9 1 1 A 26 26 PHE H H 26 9.019 9.023 -0.004 1
1 233 . 9 1 1 A 26 26 PHE HA H 26 4.201 4.536 -0.335 1
1 241 . 9 1 1 A 26 26 PHE C C 26 176.419 176.920 -0.501 1
1 242 . 9 1 1 A 26 26 PHE CA C 26 62.239 62.553 -0.314 1
1 243 . 9 1 1 A 26 26 PHE CB C 26 39.437 39.351 0.086 1
1 249 . 9 1 1 A 26 26 PHE N N 26 120.609 123.820 -3.211 1
1 250 . 9 1 1 A 27 27 ALA H H 27 8.045 7.949 0.096 1
1 251 . 9 1 1 A 27 27 ALA HA H 27 4.062 4.033 0.029 1
1 255 . 9 1 1 A 27 27 ALA C C 27 179.478 179.914 -0.436 1
1 256 . 9 1 1 A 27 27 ALA CA C 27 53.940 54.996 -1.056 1
1 257 . 9 1 1 A 27 27 ALA CB C 27 18.395 18.418 -0.023 1
1 258 . 9 1 1 A 27 27 ALA N N 27 116.245 121.216 -4.971 1
1 259 . 9 1 1 A 28 28 GLN H H 28 7.416 7.763 -0.347 1
1 260 . 9 1 1 A 28 28 GLN HA H 28 4.198 4.268 -0.070 1
1 267 . 9 1 1 A 28 28 GLN C C 28 177.124 175.943 1.181 1
1 268 . 9 1 1 A 28 28 GLN CA C 28 57.586 57.987 -0.401 1
1 269 . 9 1 1 A 28 28 GLN CB C 28 29.250 29.404 -0.154 1
1 271 . 9 1 1 A 28 28 GLN N N 28 115.857 114.973 0.884 1
1 273 . 9 1 1 A 29 29 ASN H H 29 8.006 7.959 0.047 1
1 274 . 9 1 1 A 29 29 ASN HA H 29 4.780 5.005 -0.225 1
1 279 . 9 1 1 A 29 29 ASN C C 29 172.728 174.651 -1.923 1
1 280 . 9 1 1 A 29 29 ASN CA C 29 51.028 49.500 1.528 1
1 281 . 9 1 1 A 29 29 ASN CB C 29 39.656 41.331 -1.675 1
1 282 . 9 1 1 A 29 29 ASN N N 29 114.892 115.394 -0.502 1
1 284 . 9 1 1 A 30 30 PRO HA H 30 4.218 4.839 -0.621 1
1 291 . 9 1 1 A 30 30 PRO C C 30 174.525 176.718 -2.193 1
1 292 . 9 1 1 A 30 30 PRO CA C 30 63.827 65.108 -1.281 1
1 293 . 9 1 1 A 30 30 PRO CB C 30 33.212 32.209 1.003 1
1 296 . 9 1 1 A 31 31 LEU H H 31 7.568 8.030 -0.462 1
1 297 . 9 1 1 A 31 31 LEU HA H 31 4.709 4.522 0.187 1
1 307 . 9 1 1 A 31 31 LEU C C 31 172.607 174.029 -1.422 1
1 308 . 9 1 1 A 31 31 LEU CA C 31 51.944 51.817 0.127 1
1 309 . 9 1 1 A 31 31 LEU CB C 31 42.822 42.865 -0.043 1
1 313 . 9 1 1 A 31 31 LEU N N 31 120.819 117.983 2.836 1
1 314 . 9 1 1 A 32 32 PRO HA H 32 4.073 4.460 -0.387 1
1 321 . 9 1 1 A 32 32 PRO C C 32 177.293 177.177 0.116 1
1 322 . 9 1 1 A 32 32 PRO CA C 32 62.627 62.754 -0.127 1
1 323 . 9 1 1 A 32 32 PRO CB C 32 31.663 32.077 -0.414 1
1 326 . 9 1 1 A 33 33 LEU H H 33 8.254 8.399 -0.145 1
1 327 . 9 1 1 A 33 33 LEU HA H 33 4.410 4.460 -0.050 1
1 337 . 9 1 1 A 33 33 LEU C C 33 178.312 177.940 0.372 1
1 338 . 9 1 1 A 33 33 LEU CA C 33 53.742 54.329 -0.587 1
1 339 . 9 1 1 A 33 33 LEU CB C 33 42.620 42.688 -0.068 1
1 343 . 9 1 1 A 33 33 LEU N N 33 119.030 122.417 -3.387 1
1 344 . 9 1 1 A 34 34 ASP H H 34 8.532 8.947 -0.415 1
1 345 . 9 1 1 A 34 34 ASP HA H 34 4.187 4.206 -0.019 1
1 348 . 9 1 1 A 34 34 ASP C C 34 177.731 177.998 -0.267 1
1 349 . 9 1 1 A 34 34 ASP CA C 34 58.678 58.192 0.486 1
1 350 . 9 1 1 A 34 34 ASP CB C 34 40.871 41.216 -0.345 1
1 351 . 9 1 1 A 34 34 ASP N N 34 120.283 123.583 -3.300 1
1 352 . 9 1 1 A 35 35 GLU H H 35 8.841 8.360 0.481 1
1 353 . 9 1 1 A 35 35 GLU HA H 35 4.135 4.096 0.039 1
1 358 . 9 1 1 A 35 35 GLU C C 35 178.919 178.619 0.300 1
1 359 . 9 1 1 A 35 35 GLU CA C 35 59.801 59.503 0.298 1
1 360 . 9 1 1 A 35 35 GLU CB C 35 28.860 29.383 -0.523 1
1 362 . 9 1 1 A 35 35 GLU N N 35 116.076 116.994 -0.918 1
1 363 . 9 1 1 A 36 36 GLU H H 36 7.242 8.120 -0.878 1
1 364 . 9 1 1 A 36 36 GLU HA H 36 4.762 4.100 0.662 1
1 369 . 9 1 1 A 36 36 GLU C C 36 178.264 178.418 -0.154 1
1 370 . 9 1 1 A 36 36 GLU CA C 36 57.303 58.850 -1.547 1
1 371 . 9 1 1 A 36 36 GLU CB C 36 28.799 29.438 -0.639 1
1 373 . 9 1 1 A 36 36 GLU N N 36 121.997 119.764 2.233 1
1 374 . 9 1 1 A 37 37 LEU H H 37 7.778 7.732 0.046 1
1 375 . 9 1 1 A 37 37 LEU HA H 37 3.956 4.221 -0.265 1
1 385 . 9 1 1 A 37 37 LEU C C 37 179.381 178.700 0.681 1
1 386 . 9 1 1 A 37 37 LEU CA C 37 58.608 56.439 2.169 1
1 387 . 9 1 1 A 37 37 LEU CB C 37 41.227 41.974 -0.747 1
1 391 . 9 1 1 A 37 37 LEU N N 37 120.816 119.490 1.326 1
1 392 . 9 1 1 A 38 38 ASP H H 38 8.446 8.701 -0.255 1
1 393 . 9 1 1 A 38 38 ASP HA H 38 4.455 4.321 0.134 1
1 396 . 9 1 1 A 38 38 ASP C C 38 179.162 178.365 0.797 1
1 397 . 9 1 1 A 38 38 ASP CA C 38 57.550 57.817 -0.267 1
1 398 . 9 1 1 A 38 38 ASP CB C 38 40.313 41.574 -1.261 1
1 399 . 9 1 1 A 38 38 ASP N N 38 118.274 119.720 -1.446 1
1 400 . 9 1 1 A 39 39 ARG H H 39 7.964 7.395 0.569 1
1 401 . 9 1 1 A 39 39 ARG HA H 39 4.066 4.077 -0.011 1
1 409 . 9 1 1 A 39 39 ARG C C 39 179.867 178.676 1.191 1
1 410 . 9 1 1 A 39 39 ARG CA C 39 59.801 59.221 0.580 1
1 411 . 9 1 1 A 39 39 ARG CB C 39 29.849 29.716 0.133 1
1 414 . 9 1 1 A 39 39 ARG N N 39 123.855 120.613 3.242 1
1 416 . 9 1 1 A 40 40 LEU H H 40 8.686 7.767 0.919 1
1 417 . 9 1 1 A 40 40 LEU HA H 40 4.045 3.924 0.121 1
1 427 . 9 1 1 A 40 40 LEU C C 40 180.716 178.722 1.994 1
1 428 . 9 1 1 A 40 40 LEU CA C 40 57.782 57.805 -0.023 1
1 429 . 9 1 1 A 40 40 LEU CB C 40 43.153 41.413 1.740 1
1 433 . 9 1 1 A 40 40 LEU N N 40 118.936 120.098 -1.162 1
1 434 . 9 1 1 A 41 41 ARG H H 41 8.500 8.468 0.032 1
1 435 . 9 1 1 A 41 41 ARG HA H 41 4.078 4.081 -0.003 1
1 442 . 9 1 1 A 41 41 ARG C C 41 178.702 178.823 -0.121 1
1 443 . 9 1 1 A 41 41 ARG CA C 41 60.336 59.849 0.487 1
1 444 . 9 1 1 A 41 41 ARG CB C 41 29.767 29.753 0.014 1
1 447 . 9 1 1 A 41 41 ARG N N 41 125.386 118.055 7.331 1
1 448 . 9 1 1 A 42 42 SER H H 42 7.762 8.104 -0.342 1
1 449 . 9 1 1 A 42 42 SER HA H 42 4.238 4.096 0.142 1
1 452 . 9 1 1 A 42 42 SER C C 42 176.030 176.298 -0.268 1
1 453 . 9 1 1 A 42 42 SER CA C 42 61.535 62.023 -0.488 1
1 454 . 9 1 1 A 42 42 SER CB C 42 62.892 62.885 0.007 1
1 455 . 9 1 1 A 42 42 SER N N 42 114.493 116.395 -1.902 1
1 456 . 9 1 1 A 43 43 GLU H H 43 8.031 7.996 0.035 1
1 457 . 9 1 1 A 43 43 GLU HA H 43 4.220 4.138 0.082 1
1 462 . 9 1 1 A 43 43 GLU C C 43 178.264 179.006 -0.742 1
1 463 . 9 1 1 A 43 43 GLU CA C 43 58.855 58.958 -0.103 1
1 464 . 9 1 1 A 43 43 GLU CB C 43 30.959 30.167 0.792 1
1 466 . 9 1 1 A 43 43 GLU N N 43 118.451 121.859 -3.408 1
1 467 . 9 1 1 A 44 44 THR H H 44 8.387 7.946 0.441 1
1 468 . 9 1 1 A 44 44 THR HA H 44 4.333 4.108 0.225 1
1 473 . 9 1 1 A 44 44 THR C C 44 175.787 174.775 1.012 1
1 474 . 9 1 1 A 44 44 THR CA C 44 63.333 64.079 -0.746 1
1 475 . 9 1 1 A 44 44 THR CB C 44 72.112 70.006 2.106 1
1 477 . 9 1 1 A 44 44 THR N N 44 105.689 111.282 -5.593 1
1 478 . 9 1 1 A 45 45 LYS H H 45 7.962 7.844 0.118 1
1 479 . 9 1 1 A 45 45 LYS HA H 45 4.042 4.119 -0.077 1
1 488 . 9 1 1 A 45 45 LYS C C 45 176.298 174.880 1.418 1
1 489 . 9 1 1 A 45 45 LYS CA C 45 57.934 57.366 0.568 1
1 490 . 9 1 1 A 45 45 LYS CB C 45 29.024 29.320 -0.296 1
1 494 . 9 1 1 A 45 45 LYS N N 45 115.260 116.961 -1.701 1
1 495 . 9 1 1 A 46 46 MET H H 46 7.750 7.449 0.301 1
1 496 . 9 1 1 A 46 46 MET HA H 46 4.498 5.064 -0.566 1
1 504 . 9 1 1 A 46 46 MET C C 46 176.127 174.687 1.440 1
1 505 . 9 1 1 A 46 46 MET CA C 46 55.788 53.961 1.827 1
1 506 . 9 1 1 A 46 46 MET CB C 46 36.233 37.953 -1.720 1
1 509 . 9 1 1 A 46 46 MET N N 46 119.026 116.204 2.822 1
1 510 . 9 1 1 A 47 47 THR H H 47 8.712 8.427 0.285 1
1 511 . 9 1 1 A 47 47 THR HA H 47 4.376 4.818 -0.442 1
1 516 . 9 1 1 A 47 47 THR C C 47 175.812 176.386 -0.574 1
1 517 . 9 1 1 A 47 47 THR CA C 47 61.011 59.769 1.242 1
1 518 . 9 1 1 A 47 47 THR CB C 47 70.885 71.940 -1.055 1
1 520 . 9 1 1 A 47 47 THR N N 47 109.504 111.716 -2.212 1
1 521 . 9 1 1 A 48 48 ARG H H 48 9.074 9.052 0.022 1
1 522 . 9 1 1 A 48 48 ARG HA H 48 3.910 3.983 -0.073 1
1 530 . 9 1 1 A 48 48 ARG C C 48 178.119 178.770 -0.651 1
1 531 . 9 1 1 A 48 48 ARG CA C 48 59.242 60.014 -0.772 1
1 532 . 9 1 1 A 48 48 ARG CB C 48 29.189 29.919 -0.730 1
1 535 . 9 1 1 A 48 48 ARG N N 48 120.559 122.334 -1.775 1
1 537 . 9 1 1 A 49 49 ARG H H 49 8.384 7.925 0.459 1
1 538 . 9 1 1 A 49 49 ARG HA H 49 4.237 4.045 0.192 1
1 545 . 9 1 1 A 49 49 ARG C C 49 179.478 178.253 1.225 1
1 546 . 9 1 1 A 49 49 ARG CA C 49 59.419 59.559 -0.140 1
1 547 . 9 1 1 A 49 49 ARG CB C 49 30.014 29.727 0.287 1
1 550 . 9 1 1 A 49 49 ARG N N 49 117.267 119.481 -2.214 1
1 551 . 9 1 1 A 50 50 GLU H H 50 7.869 8.297 -0.428 1
1 552 . 9 1 1 A 50 50 GLU HA H 50 4.073 4.045 0.028 1
1 557 . 9 1 1 A 50 50 GLU C C 50 180.036 179.203 0.833 1
1 558 . 9 1 1 A 50 50 GLU CA C 50 59.419 59.258 0.161 1
1 559 . 9 1 1 A 50 50 GLU CB C 50 30.672 29.239 1.433 1
1 561 . 9 1 1 A 50 50 GLU N N 50 119.568 117.169 2.399 1
1 562 . 9 1 1 A 51 51 ILE H H 51 8.451 8.082 0.369 1
1 563 . 9 1 1 A 51 51 ILE HA H 51 3.795 3.705 0.090 1
1 573 . 9 1 1 A 51 51 ILE C C 51 177.706 177.949 -0.243 1
1 574 . 9 1 1 A 51 51 ILE CA C 51 66.329 65.535 0.794 1
1 575 . 9 1 1 A 51 51 ILE CB C 51 38.715 38.363 0.352 1
1 579 . 9 1 1 A 51 51 ILE N N 51 122.516 121.134 1.382 1
1 580 . 9 1 1 A 52 52 ASP H H 52 9.078 9.014 0.064 1
1 581 . 9 1 1 A 52 52 ASP HA H 52 4.561 4.536 0.025 1
1 584 . 9 1 1 A 52 52 ASP C C 52 180.085 178.741 1.344 1
1 585 . 9 1 1 A 52 52 ASP CA C 52 58.249 57.657 0.592 1
1 586 . 9 1 1 A 52 52 ASP CB C 52 40.908 40.368 0.540 1
1 587 . 9 1 1 A 52 52 ASP N N 52 121.201 121.122 0.079 1
1 588 . 9 1 1 A 53 53 SER H H 53 8.298 8.429 -0.131 1
1 589 . 9 1 1 A 53 53 SER HA H 53 4.362 4.176 0.186 1
1 592 . 9 1 1 A 53 53 SER C C 53 175.934 177.025 -1.091 1
1 593 . 9 1 1 A 53 53 SER CA C 53 61.928 61.471 0.457 1
1 594 . 9 1 1 A 53 53 SER CB C 53 62.974 63.203 -0.229 1
1 595 . 9 1 1 A 53 53 SER N N 53 114.616 113.514 1.102 1
1 596 . 9 1 1 A 54 54 TRP H H 54 8.315 7.905 0.410 1
1 597 . 9 1 1 A 54 54 TRP HA H 54 3.993 4.171 -0.178 1
1 606 . 9 1 1 A 54 54 TRP C C 54 179.453 177.933 1.520 1
1 607 . 9 1 1 A 54 54 TRP CA C 54 63.191 61.245 1.946 1
1 608 . 9 1 1 A 54 54 TRP CB C 54 28.777 29.837 -1.060 1
1 614 . 9 1 1 A 54 54 TRP N N 54 123.444 123.910 -0.466 1
1 616 . 9 1 1 A 55 55 PHE H H 55 9.110 8.227 0.883 1
1 617 . 9 1 1 A 55 55 PHE HA H 55 3.880 4.045 -0.165 1
1 625 . 9 1 1 A 55 55 PHE C C 55 178.119 178.254 -0.135 1
1 626 . 9 1 1 A 55 55 PHE CA C 55 63.563 61.454 2.109 1
1 627 . 9 1 1 A 55 55 PHE CB C 55 39.721 39.172 0.549 1
1 633 . 9 1 1 A 55 55 PHE N N 55 119.065 118.396 0.669 1
1 634 . 9 1 1 A 56 56 SER H H 56 8.330 8.278 0.052 1
1 635 . 9 1 1 A 56 56 SER HA H 56 4.173 4.183 -0.010 1
1 638 . 9 1 1 A 56 56 SER C C 56 177.851 175.724 2.127 1
1 639 . 9 1 1 A 56 56 SER CA C 56 61.958 61.225 0.733 1
1 640 . 9 1 1 A 56 56 SER CB C 56 62.727 62.737 -0.010 1
1 641 . 9 1 1 A 56 56 SER N N 56 113.028 114.687 -1.659 1
1 642 . 9 1 1 A 57 57 GLU H H 57 8.070 7.812 0.258 1
1 643 . 9 1 1 A 57 57 GLU HA H 57 3.922 4.243 -0.321 1
1 648 . 9 1 1 A 57 57 GLU C C 57 178.895 178.316 0.579 1
1 649 . 9 1 1 A 57 57 GLU CA C 57 58.629 57.130 1.499 1
1 650 . 9 1 1 A 57 57 GLU CB C 57 29.107 30.028 -0.921 1
1 652 . 9 1 1 A 57 57 GLU N N 57 119.996 119.550 0.446 1
1 653 . 9 1 1 A 58 58 ARG H H 58 8.048 7.670 0.378 1
1 654 . 9 1 1 A 58 58 ARG HA H 58 3.489 3.613 -0.124 1
1 662 . 9 1 1 A 58 58 ARG C C 58 179.186 178.258 0.928 1
1 663 . 9 1 1 A 58 58 ARG CA C 58 56.770 58.573 -1.803 1
1 664 . 9 1 1 A 58 58 ARG CB C 58 28.145 29.096 -0.951 1
1 667 . 9 1 1 A 58 58 ARG N N 58 122.160 120.917 1.243 1
1 669 . 9 1 1 A 59 59 ARG H H 59 8.093 8.190 -0.097 1
1 670 . 9 1 1 A 59 59 ARG HA H 59 4.212 4.114 0.098 1
1 677 . 9 1 1 A 59 59 ARG C C 59 178.458 177.510 0.948 1
1 678 . 9 1 1 A 59 59 ARG CA C 59 60.019 58.777 1.242 1
1 679 . 9 1 1 A 59 59 ARG CB C 59 31.689 30.052 1.637 1
1 682 . 9 1 1 A 59 59 ARG N N 59 116.818 117.504 -0.686 1
1 683 . 9 1 1 A 60 60 LYS H H 60 7.418 7.922 -0.504 1
1 684 . 9 1 1 A 60 60 LYS HA H 60 4.154 4.071 0.083 1
1 693 . 9 1 1 A 60 60 LYS C C 60 177.803 178.675 -0.872 1
1 694 . 9 1 1 A 60 60 LYS CA C 60 58.327 58.903 -0.576 1
1 695 . 9 1 1 A 60 60 LYS CB C 60 32.651 31.931 0.720 1
1 699 . 9 1 1 A 60 60 LYS N N 60 117.893 118.373 -0.480 1
1 700 . 9 1 1 A 61 61 LYS H H 61 7.510 7.967 -0.457 1
1 701 . 9 1 1 A 61 61 LYS HA H 61 4.177 3.974 0.203 1
1 710 . 9 1 1 A 61 61 LYS C C 61 177.317 179.210 -1.893 1
1 711 . 9 1 1 A 61 61 LYS CA C 61 57.516 59.215 -1.699 1
1 712 . 9 1 1 A 61 61 LYS CB C 61 32.809 32.154 0.655 1
1 716 . 9 1 1 A 61 61 LYS N N 61 119.359 119.425 -0.066 1
1 717 . 9 1 1 A 62 62 VAL H H 62 7.805 7.837 -0.032 1
1 718 . 9 1 1 A 62 62 VAL HA H 62 4.013 3.569 0.444 1
1 726 . 9 1 1 A 62 62 VAL C C 62 176.784 178.365 -1.581 1
1 727 . 9 1 1 A 62 62 VAL CA C 62 63.755 66.351 -2.596 1
1 728 . 9 1 1 A 62 62 VAL CB C 62 32.365 31.403 0.962 1
1 731 . 9 1 1 A 62 62 VAL N N 62 119.337 119.886 -0.549 1
1 732 . 9 1 1 A 63 63 ASN H H 63 8.282 7.839 0.443 1
1 733 . 9 1 1 A 63 63 ASN HA H 63 4.700 4.472 0.228 1
1 738 . 9 1 1 A 63 63 ASN C C 63 175.594 176.735 -1.141 1
1 739 . 9 1 1 A 63 63 ASN CA C 63 53.962 56.386 -2.424 1
1 740 . 9 1 1 A 63 63 ASN CB C 63 38.913 38.931 -0.018 1
1 741 . 9 1 1 A 63 63 ASN N N 63 120.443 118.674 1.769 1
1 743 . 9 1 1 A 64 64 ALA H H 64 8.225 7.178 1.047 1
1 744 . 9 1 1 A 64 64 ALA HA H 64 4.290 4.427 -0.137 1
1 748 . 9 1 1 A 64 64 ALA C C 64 178.312 176.726 1.586 1
1 749 . 9 1 1 A 64 64 ALA CA C 64 53.319 51.532 1.787 1
1 750 . 9 1 1 A 64 64 ALA CB C 64 19.055 18.339 0.716 1
1 751 . 9 1 1 A 64 64 ALA N N 64 123.747 118.527 5.220 1
1 752 . 9 1 1 A 65 65 GLU H H 65 8.262 7.908 0.354 1
1 753 . 9 1 1 A 65 65 GLU HA H 65 4.233 4.509 -0.276 1
1 758 . 9 1 1 A 65 65 GLU C C 65 177.244 176.325 0.919 1
1 759 . 9 1 1 A 65 65 GLU CA C 65 57.269 55.596 1.673 1
1 760 . 9 1 1 A 65 65 GLU CB C 65 30.114 31.318 -1.204 1
1 762 . 9 1 1 A 65 65 GLU N N 65 118.780 117.275 1.505 1
1 763 . 9 1 1 A 66 66 GLU H H 66 8.327 8.884 -0.557 1
1 764 . 9 1 1 A 66 66 GLU HA H 66 4.301 3.817 0.484 1
1 769 . 9 1 1 A 66 66 GLU C C 66 177.244 175.231 2.013 1
1 770 . 9 1 1 A 66 66 GLU CA C 66 57.197 57.139 0.058 1
1 771 . 9 1 1 A 66 66 GLU CB C 66 30.227 27.895 2.332 1
1 773 . 9 1 1 A 66 66 GLU N N 66 120.955 118.042 2.913 1
1 774 . 9 1 1 A 67 67 THR H H 67 8.135 7.821 0.314 1
1 775 . 9 1 1 A 67 67 THR HA H 67 4.280 4.379 -0.099 1
1 780 . 9 1 1 A 67 67 THR C C 67 174.816 174.036 0.780 1
1 781 . 9 1 1 A 67 67 THR CA C 67 62.615 61.859 0.756 1
1 782 . 9 1 1 A 67 67 THR CB C 67 69.648 69.937 -0.289 1
1 784 . 9 1 1 A 67 67 THR N N 67 114.856 114.427 0.429 1
1 785 . 9 1 1 A 68 68 LYS H H 68 8.202 8.671 -0.469 1
1 786 . 9 1 1 A 68 68 LYS HA H 68 4.327 4.481 -0.154 1
1 795 . 9 1 1 A 68 68 LYS C C 68 176.637 176.421 0.216 1
1 796 . 9 1 1 A 68 68 LYS CA C 68 56.599 57.243 -0.644 1
1 797 . 9 1 1 A 68 68 LYS CB C 68 32.898 33.708 -0.810 1
1 801 . 9 1 1 A 68 68 LYS N N 68 123.462 127.036 -3.574 1
1 802 . 9 1 1 A 69 69 LYS H H 69 8.300 8.400 -0.100 1
1 803 . 9 1 1 A 69 69 LYS HA H 69 4.375 4.747 -0.372 1
1 812 . 9 1 1 A 69 69 LYS C C 69 176.661 174.465 2.196 1
1 813 . 9 1 1 A 69 69 LYS CA C 69 56.458 55.811 0.647 1
1 814 . 9 1 1 A 69 69 LYS CB C 69 33.145 36.533 -3.388 1
1 818 . 9 1 1 A 69 69 LYS N N 69 122.321 122.522 -0.201 1
1 819 . 9 1 1 A 70 70 SER H H 70 8.330 8.886 -0.556 1
1 820 . 9 1 1 A 70 70 SER HA H 70 4.536 5.281 -0.745 1
1 823 . 9 1 1 A 70 70 SER C C 70 174.525 173.765 0.760 1
1 824 . 9 1 1 A 70 70 SER CA C 70 58.361 56.361 2.000 1
1 825 . 9 1 1 A 70 70 SER CB C 70 64.022 66.133 -2.111 1
1 826 . 9 1 1 A 70 70 SER N N 70 116.687 118.372 -1.685 1
1 827 . 9 1 1 A 71 71 GLY H H 71 8.250 8.423 -0.173 1
1 828 . 9 1 1 A 71 71 GLY C C 71 171.782 173.430 -1.648 1
1 829 . 9 1 1 A 71 71 GLY CA C 71 44.717 45.547 -0.830 1
1 830 . 9 1 1 A 71 71 GLY N N 71 110.366 107.126 3.240 1
1 831 . 9 1 1 A 72 72 PRO HA H 72 4.141 4.574 -0.433 1
1 832 . 9 1 1 A 74 74 SER HA H 74 4.526 4.716 -0.190 1
1 835 . 9 1 1 A 74 74 SER C C 74 173.918 174.658 -0.740 1
1 836 . 9 1 1 A 74 74 SER CA C 74 58.528 59.385 -0.857 1
1 837 . 9 1 1 A 74 74 SER CB C 74 63.972 63.043 0.929 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 4.146 4.156 -0.010 1
1 2 . 10 1 1 A 7 7 GLY CA C 7 44.691 45.499 -0.808 1
1 3 . 10 1 1 A 8 8 PRO HA H 8 4.512 4.620 -0.108 1
1 10 . 10 1 1 A 8 8 PRO C C 8 177.365 176.787 0.578 1
1 11 . 10 1 1 A 8 8 PRO CA C 8 63.297 62.652 0.645 1
1 12 . 10 1 1 A 8 8 PRO CB C 8 32.239 31.688 0.551 1
1 15 . 10 1 1 A 9 9 THR H H 9 8.295 8.546 -0.251 1
1 16 . 10 1 1 A 9 9 THR HA H 9 4.271 4.467 -0.196 1
1 21 . 10 1 1 A 9 9 THR C C 9 174.452 173.952 0.500 1
1 22 . 10 1 1 A 9 9 THR CA C 9 62.276 61.695 0.581 1
1 23 . 10 1 1 A 9 9 THR CB C 9 69.790 69.973 -0.183 1
1 25 . 10 1 1 A 9 9 THR N N 9 114.885 111.859 3.026 1
1 26 . 10 1 1 A 10 10 LYS H H 10 8.284 7.508 0.776 1
1 27 . 10 1 1 A 10 10 LYS HA H 10 4.281 4.738 -0.457 1
1 35 . 10 1 1 A 10 10 LYS C C 10 176.103 174.772 1.331 1
1 36 . 10 1 1 A 10 10 LYS CA C 10 56.316 54.322 1.994 1
1 37 . 10 1 1 A 10 10 LYS CB C 10 33.062 35.681 -2.619 1
1 41 . 10 1 1 A 10 10 LYS N N 10 123.812 118.426 5.386 1
1 42 . 10 1 1 A 11 11 TYR H H 11 8.198 8.960 -0.762 1
1 43 . 10 1 1 A 11 11 TYR HA H 11 4.569 4.784 -0.215 1
1 50 . 10 1 1 A 11 11 TYR C C 11 175.496 174.505 0.991 1
1 51 . 10 1 1 A 11 11 TYR CA C 11 58.044 57.208 0.836 1
1 52 . 10 1 1 A 11 11 TYR CB C 11 38.842 37.437 1.405 1
1 57 . 10 1 1 A 11 11 TYR N N 11 121.375 121.135 0.240 1
1 58 . 10 1 1 A 12 12 LYS H H 12 8.168 8.337 -0.169 1
1 59 . 10 1 1 A 12 12 LYS HA H 12 4.255 5.376 -1.121 1
1 68 . 10 1 1 A 12 12 LYS C C 12 175.861 174.809 1.052 1
1 69 . 10 1 1 A 12 12 LYS CA C 12 56.050 55.082 0.968 1
1 70 . 10 1 1 A 12 12 LYS CB C 12 33.145 36.067 -2.922 1
1 74 . 10 1 1 A 12 12 LYS N N 12 123.375 126.681 -3.306 1
1 75 . 10 1 1 A 13 13 GLU H H 13 8.386 8.835 -0.449 1
1 76 . 10 1 1 A 13 13 GLU HA H 13 4.285 4.758 -0.473 1
1 81 . 10 1 1 A 13 13 GLU C C 13 176.419 174.967 1.452 1
1 82 . 10 1 1 A 13 13 GLU CA C 13 56.519 55.034 1.485 1
1 83 . 10 1 1 A 13 13 GLU CB C 13 30.261 34.083 -3.822 1
1 85 . 10 1 1 A 13 13 GLU N N 13 122.385 126.112 -3.727 1
1 86 . 10 1 1 A 14 14 ARG H H 14 8.451 8.458 -0.007 1
1 87 . 10 1 1 A 14 14 ARG HA H 14 4.424 4.389 0.035 1
1 94 . 10 1 1 A 14 14 ARG C C 14 175.230 176.277 -1.047 1
1 95 . 10 1 1 A 14 14 ARG CA C 14 55.188 56.732 -1.544 1
1 96 . 10 1 1 A 14 14 ARG CB C 14 31.003 31.203 -0.200 1
1 99 . 10 1 1 A 14 14 ARG N N 14 121.822 124.640 -2.818 1
1 100 . 10 1 1 A 15 15 ALA H H 15 8.444 8.656 -0.212 1
1 101 . 10 1 1 A 15 15 ALA HA H 15 4.633 4.697 -0.064 1
1 105 . 10 1 1 A 15 15 ALA C C 15 176.808 177.661 -0.853 1
1 106 . 10 1 1 A 15 15 ALA CA C 15 50.852 50.535 0.317 1
1 107 . 10 1 1 A 15 15 ALA CB C 15 17.938 18.930 -0.992 1
1 108 . 10 1 1 A 15 15 ALA N N 15 125.225 123.423 1.802 1
1 109 . 10 1 1 A 16 16 PRO HA H 16 4.240 4.466 -0.226 1
1 116 . 10 1 1 A 16 16 PRO C C 16 178.993 177.597 1.396 1
1 117 . 10 1 1 A 16 16 PRO CA C 16 65.731 64.533 1.198 1
1 118 . 10 1 1 A 16 16 PRO CB C 16 31.966 31.918 0.048 1
1 121 . 10 1 1 A 17 17 GLU H H 17 9.453 8.523 0.930 1
1 122 . 10 1 1 A 17 17 GLU HA H 17 4.051 4.103 -0.052 1
1 127 . 10 1 1 A 17 17 GLU C C 17 179.550 179.159 0.391 1
1 128 . 10 1 1 A 17 17 GLU CA C 17 59.568 59.193 0.375 1
1 129 . 10 1 1 A 17 17 GLU CB C 17 28.613 29.750 -1.137 1
1 131 . 10 1 1 A 17 17 GLU N N 17 116.527 117.233 -0.706 1
1 132 . 10 1 1 A 18 18 GLN H H 18 7.529 7.862 -0.333 1
1 133 . 10 1 1 A 18 18 GLN HA H 18 4.036 4.033 0.003 1
1 140 . 10 1 1 A 18 18 GLN C C 18 176.977 178.434 -1.457 1
1 141 . 10 1 1 A 18 18 GLN CA C 18 58.785 58.386 0.399 1
1 142 . 10 1 1 A 18 18 GLN CB C 18 28.860 28.437 0.423 1
1 144 . 10 1 1 A 18 18 GLN N N 18 119.048 119.971 -0.923 1
1 146 . 10 1 1 A 19 19 LEU H H 19 7.664 8.236 -0.572 1
1 147 . 10 1 1 A 19 19 LEU HA H 19 3.755 3.711 0.044 1
1 157 . 10 1 1 A 19 19 LEU C C 19 178.410 178.986 -0.576 1
1 158 . 10 1 1 A 19 19 LEU CA C 19 57.516 57.814 -0.298 1
1 159 . 10 1 1 A 19 19 LEU CB C 19 41.276 41.484 -0.208 1
1 163 . 10 1 1 A 19 19 LEU N N 19 117.171 120.291 -3.120 1
1 164 . 10 1 1 A 20 20 ARG H H 20 8.188 8.217 -0.029 1
1 165 . 10 1 1 A 20 20 ARG HA H 20 3.998 3.949 0.049 1
1 172 . 10 1 1 A 20 20 ARG C C 20 178.993 178.173 0.820 1
1 173 . 10 1 1 A 20 20 ARG CA C 20 59.333 59.555 -0.222 1
1 174 . 10 1 1 A 20 20 ARG CB C 20 30.096 30.054 0.042 1
1 177 . 10 1 1 A 20 20 ARG N N 20 117.090 120.389 -3.299 1
1 178 . 10 1 1 A 21 21 ALA H H 21 7.176 7.983 -0.807 1
1 179 . 10 1 1 A 21 21 ALA HA H 21 4.092 4.178 -0.086 1
1 183 . 10 1 1 A 21 21 ALA C C 21 180.571 180.010 0.561 1
1 184 . 10 1 1 A 21 21 ALA CA C 21 54.941 54.294 0.647 1
1 185 . 10 1 1 A 21 21 ALA CB C 21 17.858 18.722 -0.864 1
1 186 . 10 1 1 A 21 21 ALA N N 21 121.201 121.470 -0.269 1
1 187 . 10 1 1 A 22 22 LEU H H 22 7.528 8.041 -0.513 1
1 188 . 10 1 1 A 22 22 LEU HA H 22 3.576 3.617 -0.041 1
1 198 . 10 1 1 A 22 22 LEU C C 22 177.779 178.331 -0.552 1
1 199 . 10 1 1 A 22 22 LEU CA C 22 58.185 57.897 0.288 1
1 200 . 10 1 1 A 22 22 LEU CB C 22 38.666 40.387 -1.721 1
1 204 . 10 1 1 A 22 22 LEU N N 22 119.669 119.735 -0.066 1
1 205 . 10 1 1 A 23 23 GLU H H 23 8.516 8.498 0.018 1
1 206 . 10 1 1 A 23 23 GLU HA H 23 4.221 4.206 0.015 1
1 211 . 10 1 1 A 23 23 GLU C C 23 180.352 179.095 1.257 1
1 212 . 10 1 1 A 23 23 GLU CA C 23 59.489 60.128 -0.639 1
1 213 . 10 1 1 A 23 23 GLU CB C 23 29.317 29.551 -0.234 1
1 215 . 10 1 1 A 23 23 GLU N N 23 117.420 117.684 -0.264 1
1 216 . 10 1 1 A 24 24 SER H H 24 8.209 7.966 0.243 1
1 217 . 10 1 1 A 24 24 SER HA H 24 4.303 4.222 0.081 1
1 220 . 10 1 1 A 24 24 SER C C 24 176.710 176.949 -0.239 1
1 221 . 10 1 1 A 24 24 SER CA C 24 61.852 61.812 0.040 1
1 222 . 10 1 1 A 24 24 SER CB C 24 62.767 62.895 -0.128 1
1 223 . 10 1 1 A 24 24 SER N N 24 114.551 115.857 -1.306 1
1 224 . 10 1 1 A 25 25 SER H H 25 7.396 7.917 -0.521 1
1 225 . 10 1 1 A 25 25 SER HA H 25 4.388 4.317 0.071 1
1 228 . 10 1 1 A 25 25 SER C C 25 177.415 177.011 0.404 1
1 229 . 10 1 1 A 25 25 SER CA C 25 61.428 61.011 0.417 1
1 230 . 10 1 1 A 25 25 SER CB C 25 63.319 63.280 0.039 1
1 231 . 10 1 1 A 25 25 SER N N 25 115.081 115.557 -0.476 1
1 232 . 10 1 1 A 26 26 PHE H H 26 9.019 8.306 0.713 1
1 233 . 10 1 1 A 26 26 PHE HA H 26 4.201 4.884 -0.683 1
1 241 . 10 1 1 A 26 26 PHE C C 26 176.419 177.300 -0.881 1
1 242 . 10 1 1 A 26 26 PHE CA C 26 62.239 61.811 0.428 1
1 243 . 10 1 1 A 26 26 PHE CB C 26 39.437 39.455 -0.018 1
1 249 . 10 1 1 A 26 26 PHE N N 26 120.609 122.899 -2.290 1
1 250 . 10 1 1 A 27 27 ALA H H 27 8.045 8.206 -0.161 1
1 251 . 10 1 1 A 27 27 ALA HA H 27 4.062 3.981 0.081 1
1 255 . 10 1 1 A 27 27 ALA C C 27 179.478 179.282 0.196 1
1 256 . 10 1 1 A 27 27 ALA CA C 27 53.940 55.222 -1.282 1
1 257 . 10 1 1 A 27 27 ALA CB C 27 18.395 18.369 0.026 1
1 258 . 10 1 1 A 27 27 ALA N N 27 116.245 121.126 -4.881 1
1 259 . 10 1 1 A 28 28 GLN H H 28 7.416 7.786 -0.370 1
1 260 . 10 1 1 A 28 28 GLN HA H 28 4.198 4.292 -0.094 1
1 267 . 10 1 1 A 28 28 GLN C C 28 177.124 175.938 1.186 1
1 268 . 10 1 1 A 28 28 GLN CA C 28 57.586 57.659 -0.073 1
1 269 . 10 1 1 A 28 28 GLN CB C 28 29.250 29.828 -0.578 1
1 271 . 10 1 1 A 28 28 GLN N N 28 115.857 114.568 1.289 1
1 273 . 10 1 1 A 29 29 ASN H H 29 8.006 7.781 0.225 1
1 274 . 10 1 1 A 29 29 ASN HA H 29 4.780 4.995 -0.215 1
1 279 . 10 1 1 A 29 29 ASN C C 29 172.728 174.648 -1.920 1
1 280 . 10 1 1 A 29 29 ASN CA C 29 51.028 49.481 1.547 1
1 281 . 10 1 1 A 29 29 ASN CB C 29 39.656 41.307 -1.651 1
1 282 . 10 1 1 A 29 29 ASN N N 29 114.892 115.392 -0.500 1
1 284 . 10 1 1 A 30 30 PRO HA H 30 4.218 4.873 -0.655 1
1 291 . 10 1 1 A 30 30 PRO C C 30 174.525 176.653 -2.128 1
1 292 . 10 1 1 A 30 30 PRO CA C 30 63.827 65.023 -1.196 1
1 293 . 10 1 1 A 30 30 PRO CB C 30 33.212 32.237 0.975 1
1 296 . 10 1 1 A 31 31 LEU H H 31 7.568 7.943 -0.375 1
1 297 . 10 1 1 A 31 31 LEU HA H 31 4.709 4.430 0.279 1
1 307 . 10 1 1 A 31 31 LEU C C 31 172.607 173.892 -1.285 1
1 308 . 10 1 1 A 31 31 LEU CA C 31 51.944 51.785 0.159 1
1 309 . 10 1 1 A 31 31 LEU CB C 31 42.822 42.784 0.038 1
1 313 . 10 1 1 A 31 31 LEU N N 31 120.819 117.986 2.833 1
1 314 . 10 1 1 A 32 32 PRO HA H 32 4.073 4.462 -0.389 1
1 321 . 10 1 1 A 32 32 PRO C C 32 177.293 177.264 0.029 1
1 322 . 10 1 1 A 32 32 PRO CA C 32 62.627 62.748 -0.121 1
1 323 . 10 1 1 A 32 32 PRO CB C 32 31.663 32.062 -0.399 1
1 326 . 10 1 1 A 33 33 LEU H H 33 8.254 8.328 -0.074 1
1 327 . 10 1 1 A 33 33 LEU HA H 33 4.410 4.356 0.054 1
1 337 . 10 1 1 A 33 33 LEU C C 33 178.312 177.759 0.553 1
1 338 . 10 1 1 A 33 33 LEU CA C 33 53.742 54.416 -0.674 1
1 339 . 10 1 1 A 33 33 LEU CB C 33 42.620 42.773 -0.153 1
1 343 . 10 1 1 A 33 33 LEU N N 33 119.030 122.854 -3.824 1
1 344 . 10 1 1 A 34 34 ASP H H 34 8.532 8.991 -0.459 1
1 345 . 10 1 1 A 34 34 ASP HA H 34 4.187 4.336 -0.149 1
1 348 . 10 1 1 A 34 34 ASP C C 34 177.731 178.529 -0.798 1
1 349 . 10 1 1 A 34 34 ASP CA C 34 58.678 57.046 1.632 1
1 350 . 10 1 1 A 34 34 ASP CB C 34 40.871 39.822 1.049 1
1 351 . 10 1 1 A 34 34 ASP N N 34 120.283 120.820 -0.537 1
1 352 . 10 1 1 A 35 35 GLU H H 35 8.841 8.470 0.371 1
1 353 . 10 1 1 A 35 35 GLU HA H 35 4.135 4.060 0.075 1
1 358 . 10 1 1 A 35 35 GLU C C 35 178.919 178.644 0.275 1
1 359 . 10 1 1 A 35 35 GLU CA C 35 59.801 59.563 0.238 1
1 360 . 10 1 1 A 35 35 GLU CB C 35 28.860 29.268 -0.408 1
1 362 . 10 1 1 A 35 35 GLU N N 35 116.076 118.549 -2.473 1
1 363 . 10 1 1 A 36 36 GLU H H 36 7.242 8.021 -0.779 1
1 364 . 10 1 1 A 36 36 GLU HA H 36 4.762 4.105 0.657 1
1 369 . 10 1 1 A 36 36 GLU C C 36 178.264 178.575 -0.311 1
1 370 . 10 1 1 A 36 36 GLU CA C 36 57.303 58.853 -1.550 1
1 371 . 10 1 1 A 36 36 GLU CB C 36 28.799 29.279 -0.480 1
1 373 . 10 1 1 A 36 36 GLU N N 36 121.997 120.102 1.895 1
1 374 . 10 1 1 A 37 37 LEU H H 37 7.778 7.436 0.342 1
1 375 . 10 1 1 A 37 37 LEU HA H 37 3.956 4.239 -0.283 1
1 385 . 10 1 1 A 37 37 LEU C C 37 179.381 178.662 0.719 1
1 386 . 10 1 1 A 37 37 LEU CA C 37 58.608 56.510 2.098 1
1 387 . 10 1 1 A 37 37 LEU CB C 37 41.227 41.817 -0.590 1
1 391 . 10 1 1 A 37 37 LEU N N 37 120.816 119.535 1.281 1
1 392 . 10 1 1 A 38 38 ASP H H 38 8.446 8.716 -0.270 1
1 393 . 10 1 1 A 38 38 ASP HA H 38 4.455 4.251 0.204 1
1 396 . 10 1 1 A 38 38 ASP C C 38 179.162 178.674 0.488 1
1 397 . 10 1 1 A 38 38 ASP CA C 38 57.550 57.858 -0.308 1
1 398 . 10 1 1 A 38 38 ASP CB C 38 40.313 42.240 -1.927 1
1 399 . 10 1 1 A 38 38 ASP N N 38 118.274 119.795 -1.521 1
1 400 . 10 1 1 A 39 39 ARG H H 39 7.964 7.964 0.000 1
1 401 . 10 1 1 A 39 39 ARG HA H 39 4.066 4.084 -0.018 1
1 409 . 10 1 1 A 39 39 ARG C C 39 179.867 178.689 1.178 1
1 410 . 10 1 1 A 39 39 ARG CA C 39 59.801 59.175 0.626 1
1 411 . 10 1 1 A 39 39 ARG CB C 39 29.849 30.303 -0.454 1
1 414 . 10 1 1 A 39 39 ARG N N 39 123.855 119.278 4.577 1
1 416 . 10 1 1 A 40 40 LEU H H 40 8.686 7.773 0.913 1
1 417 . 10 1 1 A 40 40 LEU HA H 40 4.045 3.923 0.122 1
1 427 . 10 1 1 A 40 40 LEU C C 40 180.716 179.279 1.437 1
1 428 . 10 1 1 A 40 40 LEU CA C 40 57.782 57.973 -0.191 1
1 429 . 10 1 1 A 40 40 LEU CB C 40 43.153 41.540 1.613 1
1 433 . 10 1 1 A 40 40 LEU N N 40 118.936 120.240 -1.304 1
1 434 . 10 1 1 A 41 41 ARG H H 41 8.500 8.545 -0.045 1
1 435 . 10 1 1 A 41 41 ARG HA H 41 4.078 4.238 -0.160 1
1 442 . 10 1 1 A 41 41 ARG C C 41 178.702 179.281 -0.579 1
1 443 . 10 1 1 A 41 41 ARG CA C 41 60.336 59.474 0.862 1
1 444 . 10 1 1 A 41 41 ARG CB C 41 29.767 29.806 -0.039 1
1 447 . 10 1 1 A 41 41 ARG N N 41 125.386 119.075 6.311 1
1 448 . 10 1 1 A 42 42 SER H H 42 7.762 8.207 -0.445 1
1 449 . 10 1 1 A 42 42 SER HA H 42 4.238 4.114 0.124 1
1 452 . 10 1 1 A 42 42 SER C C 42 176.030 177.066 -1.036 1
1 453 . 10 1 1 A 42 42 SER CA C 42 61.535 61.965 -0.430 1
1 454 . 10 1 1 A 42 42 SER CB C 42 62.892 62.958 -0.066 1
1 455 . 10 1 1 A 42 42 SER N N 42 114.493 117.617 -3.124 1
1 456 . 10 1 1 A 43 43 GLU H H 43 8.031 7.497 0.534 1
1 457 . 10 1 1 A 43 43 GLU HA H 43 4.220 4.097 0.123 1
1 462 . 10 1 1 A 43 43 GLU C C 43 178.264 179.256 -0.992 1
1 463 . 10 1 1 A 43 43 GLU CA C 43 58.855 59.208 -0.353 1
1 464 . 10 1 1 A 43 43 GLU CB C 43 30.959 30.232 0.727 1
1 466 . 10 1 1 A 43 43 GLU N N 43 118.451 121.618 -3.167 1
1 467 . 10 1 1 A 44 44 THR H H 44 8.387 8.244 0.143 1
1 468 . 10 1 1 A 44 44 THR HA H 44 4.333 4.090 0.243 1
1 473 . 10 1 1 A 44 44 THR C C 44 175.787 174.960 0.827 1
1 474 . 10 1 1 A 44 44 THR CA C 44 63.333 64.010 -0.677 1
1 475 . 10 1 1 A 44 44 THR CB C 44 72.112 69.983 2.129 1
1 477 . 10 1 1 A 44 44 THR N N 44 105.689 111.715 -6.026 1
1 478 . 10 1 1 A 45 45 LYS H H 45 7.962 7.758 0.204 1
1 479 . 10 1 1 A 45 45 LYS HA H 45 4.042 4.151 -0.109 1
1 488 . 10 1 1 A 45 45 LYS C C 45 176.298 174.815 1.483 1
1 489 . 10 1 1 A 45 45 LYS CA C 45 57.934 57.379 0.555 1
1 490 . 10 1 1 A 45 45 LYS CB C 45 29.024 29.250 -0.226 1
1 494 . 10 1 1 A 45 45 LYS N N 45 115.260 116.504 -1.244 1
1 495 . 10 1 1 A 46 46 MET H H 46 7.750 7.523 0.227 1
1 496 . 10 1 1 A 46 46 MET HA H 46 4.498 5.067 -0.569 1
1 504 . 10 1 1 A 46 46 MET C C 46 176.127 175.030 1.097 1
1 505 . 10 1 1 A 46 46 MET CA C 46 55.788 54.206 1.582 1
1 506 . 10 1 1 A 46 46 MET CB C 46 36.233 37.157 -0.924 1
1 509 . 10 1 1 A 46 46 MET N N 46 119.026 116.121 2.905 1
1 510 . 10 1 1 A 47 47 THR H H 47 8.712 8.427 0.285 1
1 511 . 10 1 1 A 47 47 THR HA H 47 4.376 4.894 -0.518 1
1 516 . 10 1 1 A 47 47 THR C C 47 175.812 176.401 -0.589 1
1 517 . 10 1 1 A 47 47 THR CA C 47 61.011 59.462 1.549 1
1 518 . 10 1 1 A 47 47 THR CB C 47 70.885 72.082 -1.197 1
1 520 . 10 1 1 A 47 47 THR N N 47 109.504 111.549 -2.045 1
1 521 . 10 1 1 A 48 48 ARG H H 48 9.074 9.064 0.010 1
1 522 . 10 1 1 A 48 48 ARG HA H 48 3.910 4.010 -0.100 1
1 530 . 10 1 1 A 48 48 ARG C C 48 178.119 178.814 -0.695 1
1 531 . 10 1 1 A 48 48 ARG CA C 48 59.242 60.471 -1.229 1
1 532 . 10 1 1 A 48 48 ARG CB C 48 29.189 30.157 -0.968 1
1 535 . 10 1 1 A 48 48 ARG N N 48 120.559 122.345 -1.786 1
1 537 . 10 1 1 A 49 49 ARG H H 49 8.384 7.972 0.412 1
1 538 . 10 1 1 A 49 49 ARG HA H 49 4.237 4.023 0.214 1
1 545 . 10 1 1 A 49 49 ARG C C 49 179.478 178.428 1.050 1
1 546 . 10 1 1 A 49 49 ARG CA C 49 59.419 59.451 -0.032 1
1 547 . 10 1 1 A 49 49 ARG CB C 49 30.014 30.043 -0.029 1
1 550 . 10 1 1 A 49 49 ARG N N 49 117.267 119.288 -2.021 1
1 551 . 10 1 1 A 50 50 GLU H H 50 7.869 7.912 -0.043 1
1 552 . 10 1 1 A 50 50 GLU HA H 50 4.073 4.051 0.022 1
1 557 . 10 1 1 A 50 50 GLU C C 50 180.036 179.217 0.819 1
1 558 . 10 1 1 A 50 50 GLU CA C 50 59.419 59.255 0.164 1
1 559 . 10 1 1 A 50 50 GLU CB C 50 30.672 29.366 1.306 1
1 561 . 10 1 1 A 50 50 GLU N N 50 119.568 117.354 2.214 1
1 562 . 10 1 1 A 51 51 ILE H H 51 8.451 8.368 0.083 1
1 563 . 10 1 1 A 51 51 ILE HA H 51 3.795 3.770 0.025 1
1 573 . 10 1 1 A 51 51 ILE C C 51 177.706 177.892 -0.186 1
1 574 . 10 1 1 A 51 51 ILE CA C 51 66.329 65.444 0.885 1
1 575 . 10 1 1 A 51 51 ILE CB C 51 38.715 37.816 0.899 1
1 579 . 10 1 1 A 51 51 ILE N N 51 122.516 121.002 1.514 1
1 580 . 10 1 1 A 52 52 ASP H H 52 9.078 8.754 0.324 1
1 581 . 10 1 1 A 52 52 ASP HA H 52 4.561 4.517 0.044 1
1 584 . 10 1 1 A 52 52 ASP C C 52 180.085 178.344 1.741 1
1 585 . 10 1 1 A 52 52 ASP CA C 52 58.249 57.642 0.607 1
1 586 . 10 1 1 A 52 52 ASP CB C 52 40.908 41.062 -0.154 1
1 587 . 10 1 1 A 52 52 ASP N N 52 121.201 121.499 -0.298 1
1 588 . 10 1 1 A 53 53 SER H H 53 8.298 8.104 0.194 1
1 589 . 10 1 1 A 53 53 SER HA H 53 4.362 4.223 0.139 1
1 592 . 10 1 1 A 53 53 SER C C 53 175.934 176.999 -1.065 1
1 593 . 10 1 1 A 53 53 SER CA C 53 61.928 61.349 0.579 1
1 594 . 10 1 1 A 53 53 SER CB C 53 62.974 63.192 -0.218 1
1 595 . 10 1 1 A 53 53 SER N N 53 114.616 113.625 0.991 1
1 596 . 10 1 1 A 54 54 TRP H H 54 8.315 8.380 -0.065 1
1 597 . 10 1 1 A 54 54 TRP HA H 54 3.993 4.257 -0.264 1
1 606 . 10 1 1 A 54 54 TRP C C 54 179.453 178.337 1.116 1
1 607 . 10 1 1 A 54 54 TRP CA C 54 63.191 61.186 2.005 1
1 608 . 10 1 1 A 54 54 TRP CB C 54 28.777 29.522 -0.745 1
1 614 . 10 1 1 A 54 54 TRP N N 54 123.444 124.025 -0.581 1
1 616 . 10 1 1 A 55 55 PHE H H 55 9.110 8.135 0.975 1
1 617 . 10 1 1 A 55 55 PHE HA H 55 3.880 4.167 -0.287 1
1 625 . 10 1 1 A 55 55 PHE C C 55 178.119 178.123 -0.004 1
1 626 . 10 1 1 A 55 55 PHE CA C 55 63.563 61.060 2.503 1
1 627 . 10 1 1 A 55 55 PHE CB C 55 39.721 39.230 0.491 1
1 633 . 10 1 1 A 55 55 PHE N N 55 119.065 118.368 0.697 1
1 634 . 10 1 1 A 56 56 SER H H 56 8.330 8.383 -0.053 1
1 635 . 10 1 1 A 56 56 SER HA H 56 4.173 4.188 -0.015 1
1 638 . 10 1 1 A 56 56 SER C C 56 177.851 175.865 1.986 1
1 639 . 10 1 1 A 56 56 SER CA C 56 61.958 61.273 0.685 1
1 640 . 10 1 1 A 56 56 SER CB C 56 62.727 62.907 -0.180 1
1 641 . 10 1 1 A 56 56 SER N N 56 113.028 114.517 -1.489 1
1 642 . 10 1 1 A 57 57 GLU H H 57 8.070 7.609 0.461 1
1 643 . 10 1 1 A 57 57 GLU HA H 57 3.922 4.201 -0.279 1
1 648 . 10 1 1 A 57 57 GLU C C 57 178.895 178.481 0.414 1
1 649 . 10 1 1 A 57 57 GLU CA C 57 58.629 57.348 1.281 1
1 650 . 10 1 1 A 57 57 GLU CB C 57 29.107 30.067 -0.960 1
1 652 . 10 1 1 A 57 57 GLU N N 57 119.996 119.759 0.237 1
1 653 . 10 1 1 A 58 58 ARG H H 58 8.048 7.729 0.319 1
1 654 . 10 1 1 A 58 58 ARG HA H 58 3.489 3.611 -0.122 1
1 662 . 10 1 1 A 58 58 ARG C C 58 179.186 178.235 0.951 1
1 663 . 10 1 1 A 58 58 ARG CA C 58 56.770 58.658 -1.888 1
1 664 . 10 1 1 A 58 58 ARG CB C 58 28.145 29.025 -0.880 1
1 667 . 10 1 1 A 58 58 ARG N N 58 122.160 120.935 1.225 1
1 669 . 10 1 1 A 59 59 ARG H H 59 8.093 8.344 -0.251 1
1 670 . 10 1 1 A 59 59 ARG HA H 59 4.212 4.097 0.115 1
1 677 . 10 1 1 A 59 59 ARG C C 59 178.458 177.314 1.144 1
1 678 . 10 1 1 A 59 59 ARG CA C 59 60.019 58.784 1.235 1
1 679 . 10 1 1 A 59 59 ARG CB C 59 31.689 29.757 1.932 1
1 682 . 10 1 1 A 59 59 ARG N N 59 116.818 117.531 -0.713 1
1 683 . 10 1 1 A 60 60 LYS H H 60 7.418 7.958 -0.540 1
1 684 . 10 1 1 A 60 60 LYS HA H 60 4.154 4.122 0.032 1
1 693 . 10 1 1 A 60 60 LYS C C 60 177.803 179.148 -1.345 1
1 694 . 10 1 1 A 60 60 LYS CA C 60 58.327 58.776 -0.449 1
1 695 . 10 1 1 A 60 60 LYS CB C 60 32.651 32.321 0.330 1
1 699 . 10 1 1 A 60 60 LYS N N 60 117.893 118.374 -0.481 1
1 700 . 10 1 1 A 61 61 LYS H H 61 7.510 8.024 -0.514 1
1 701 . 10 1 1 A 61 61 LYS HA H 61 4.177 4.128 0.049 1
1 710 . 10 1 1 A 61 61 LYS C C 61 177.317 178.816 -1.499 1
1 711 . 10 1 1 A 61 61 LYS CA C 61 57.516 58.938 -1.422 1
1 712 . 10 1 1 A 61 61 LYS CB C 61 32.809 31.962 0.847 1
1 716 . 10 1 1 A 61 61 LYS N N 61 119.359 119.788 -0.429 1
1 717 . 10 1 1 A 62 62 VAL H H 62 7.805 7.854 -0.049 1
1 718 . 10 1 1 A 62 62 VAL HA H 62 4.013 3.564 0.449 1
1 726 . 10 1 1 A 62 62 VAL C C 62 176.784 178.363 -1.579 1
1 727 . 10 1 1 A 62 62 VAL CA C 62 63.755 66.900 -3.145 1
1 728 . 10 1 1 A 62 62 VAL CB C 62 32.365 31.293 1.072 1
1 731 . 10 1 1 A 62 62 VAL N N 62 119.337 120.324 -0.987 1
1 732 . 10 1 1 A 63 63 ASN H H 63 8.282 8.183 0.099 1
1 733 . 10 1 1 A 63 63 ASN HA H 63 4.700 4.456 0.244 1
1 738 . 10 1 1 A 63 63 ASN C C 63 175.594 176.696 -1.102 1
1 739 . 10 1 1 A 63 63 ASN CA C 63 53.962 56.093 -2.131 1
1 740 . 10 1 1 A 63 63 ASN CB C 63 38.913 38.692 0.221 1
1 741 . 10 1 1 A 63 63 ASN N N 63 120.443 118.614 1.829 1
1 743 . 10 1 1 A 64 64 ALA H H 64 8.225 7.200 1.025 1
1 744 . 10 1 1 A 64 64 ALA HA H 64 4.290 4.434 -0.144 1
1 748 . 10 1 1 A 64 64 ALA C C 64 178.312 176.739 1.573 1
1 749 . 10 1 1 A 64 64 ALA CA C 64 53.319 51.267 2.052 1
1 750 . 10 1 1 A 64 64 ALA CB C 64 19.055 18.814 0.241 1
1 751 . 10 1 1 A 64 64 ALA N N 64 123.747 118.132 5.615 1
1 752 . 10 1 1 A 65 65 GLU H H 65 8.262 7.852 0.410 1
1 753 . 10 1 1 A 65 65 GLU HA H 65 4.233 4.024 0.209 1
1 758 . 10 1 1 A 65 65 GLU C C 65 177.244 177.275 -0.031 1
1 759 . 10 1 1 A 65 65 GLU CA C 65 57.269 56.494 0.775 1
1 760 . 10 1 1 A 65 65 GLU CB C 65 30.114 30.283 -0.169 1
1 762 . 10 1 1 A 65 65 GLU N N 65 118.780 119.956 -1.176 1
1 763 . 10 1 1 A 66 66 GLU H H 66 8.327 8.954 -0.627 1
1 764 . 10 1 1 A 66 66 GLU HA H 66 4.301 3.892 0.409 1
1 769 . 10 1 1 A 66 66 GLU C C 66 177.244 176.248 0.996 1
1 770 . 10 1 1 A 66 66 GLU CA C 66 57.197 57.117 0.080 1
1 771 . 10 1 1 A 66 66 GLU CB C 66 30.227 27.333 2.894 1
1 773 . 10 1 1 A 66 66 GLU N N 66 120.955 121.452 -0.497 1
1 774 . 10 1 1 A 67 67 THR H H 67 8.135 8.196 -0.061 1
1 775 . 10 1 1 A 67 67 THR HA H 67 4.280 4.497 -0.217 1
1 780 . 10 1 1 A 67 67 THR C C 67 174.816 174.538 0.278 1
1 781 . 10 1 1 A 67 67 THR CA C 67 62.615 62.940 -0.325 1
1 782 . 10 1 1 A 67 67 THR CB C 67 69.648 71.213 -1.565 1
1 784 . 10 1 1 A 67 67 THR N N 67 114.856 111.307 3.549 1
1 785 . 10 1 1 A 68 68 LYS H H 68 8.202 7.545 0.657 1
1 786 . 10 1 1 A 68 68 LYS HA H 68 4.327 4.670 -0.343 1
1 795 . 10 1 1 A 68 68 LYS C C 68 176.637 174.052 2.585 1
1 796 . 10 1 1 A 68 68 LYS CA C 68 56.599 56.092 0.507 1
1 797 . 10 1 1 A 68 68 LYS CB C 68 32.898 36.212 -3.314 1
1 801 . 10 1 1 A 68 68 LYS N N 68 123.462 119.008 4.454 1
1 802 . 10 1 1 A 69 69 LYS H H 69 8.300 8.905 -0.605 1
1 803 . 10 1 1 A 69 69 LYS HA H 69 4.375 5.137 -0.762 1
1 812 . 10 1 1 A 69 69 LYS C C 69 176.661 174.839 1.822 1
1 813 . 10 1 1 A 69 69 LYS CA C 69 56.458 54.938 1.520 1
1 814 . 10 1 1 A 69 69 LYS CB C 69 33.145 35.390 -2.245 1
1 818 . 10 1 1 A 69 69 LYS N N 69 122.321 126.146 -3.825 1
1 819 . 10 1 1 A 70 70 SER H H 70 8.330 8.923 -0.593 1
1 820 . 10 1 1 A 70 70 SER HA H 70 4.536 4.979 -0.443 1
1 823 . 10 1 1 A 70 70 SER C C 70 174.525 173.094 1.431 1
1 824 . 10 1 1 A 70 70 SER CA C 70 58.361 57.053 1.308 1
1 825 . 10 1 1 A 70 70 SER CB C 70 64.022 66.068 -2.046 1
1 826 . 10 1 1 A 70 70 SER N N 70 116.687 117.729 -1.042 1
1 827 . 10 1 1 A 71 71 GLY H H 71 8.250 8.376 -0.126 1
1 828 . 10 1 1 A 71 71 GLY C C 71 171.782 171.198 0.584 1
1 829 . 10 1 1 A 71 71 GLY CA C 71 44.717 45.227 -0.510 1
1 830 . 10 1 1 A 71 71 GLY N N 71 110.366 107.084 3.282 1
1 831 . 10 1 1 A 72 72 PRO HA H 72 4.141 4.574 -0.433 1
1 832 . 10 1 1 A 74 74 SER HA H 74 4.526 5.347 -0.821 1
1 835 . 10 1 1 A 74 74 SER C C 74 173.918 173.943 -0.025 1
1 836 . 10 1 1 A 74 74 SER CA C 74 58.528 56.346 2.182 1
1 837 . 10 1 1 A 74 74 SER CB C 74 63.972 65.829 -1.857 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 4.146 4.131 0.015 1
1 2 . 11 1 1 A 7 7 GLY CA C 7 44.691 45.307 -0.616 1
1 3 . 11 1 1 A 8 8 PRO HA H 8 4.512 4.642 -0.130 1
1 10 . 11 1 1 A 8 8 PRO C C 8 177.365 175.873 1.492 1
1 11 . 11 1 1 A 8 8 PRO CA C 8 63.297 62.964 0.333 1
1 12 . 11 1 1 A 8 8 PRO CB C 8 32.239 31.750 0.489 1
1 15 . 11 1 1 A 9 9 THR H H 9 8.295 8.490 -0.195 1
1 16 . 11 1 1 A 9 9 THR HA H 9 4.271 4.692 -0.421 1
1 21 . 11 1 1 A 9 9 THR C C 9 174.452 173.624 0.828 1
1 22 . 11 1 1 A 9 9 THR CA C 9 62.276 61.010 1.266 1
1 23 . 11 1 1 A 9 9 THR CB C 9 69.790 69.778 0.012 1
1 25 . 11 1 1 A 9 9 THR N N 9 114.885 117.611 -2.726 1
1 26 . 11 1 1 A 10 10 LYS H H 10 8.284 8.420 -0.136 1
1 27 . 11 1 1 A 10 10 LYS HA H 10 4.281 4.620 -0.339 1
1 35 . 11 1 1 A 10 10 LYS C C 10 176.103 175.252 0.851 1
1 36 . 11 1 1 A 10 10 LYS CA C 10 56.316 54.172 2.144 1
1 37 . 11 1 1 A 10 10 LYS CB C 10 33.062 36.985 -3.923 1
1 41 . 11 1 1 A 10 10 LYS N N 10 123.812 127.444 -3.632 1
1 42 . 11 1 1 A 11 11 TYR H H 11 8.198 8.795 -0.597 1
1 43 . 11 1 1 A 11 11 TYR HA H 11 4.569 4.717 -0.148 1
1 50 . 11 1 1 A 11 11 TYR C C 11 175.496 174.587 0.909 1
1 51 . 11 1 1 A 11 11 TYR CA C 11 58.044 56.358 1.686 1
1 52 . 11 1 1 A 11 11 TYR CB C 11 38.842 36.487 2.355 1
1 57 . 11 1 1 A 11 11 TYR N N 11 121.375 119.427 1.948 1
1 58 . 11 1 1 A 12 12 LYS H H 12 8.168 7.733 0.435 1
1 59 . 11 1 1 A 12 12 LYS HA H 12 4.255 5.117 -0.862 1
1 68 . 11 1 1 A 12 12 LYS C C 12 175.861 175.320 0.541 1
1 69 . 11 1 1 A 12 12 LYS CA C 12 56.050 54.966 1.084 1
1 70 . 11 1 1 A 12 12 LYS CB C 12 33.145 35.103 -1.958 1
1 74 . 11 1 1 A 12 12 LYS N N 12 123.375 118.281 5.094 1
1 75 . 11 1 1 A 13 13 GLU H H 13 8.386 8.837 -0.451 1
1 76 . 11 1 1 A 13 13 GLU HA H 13 4.285 4.992 -0.707 1
1 81 . 11 1 1 A 13 13 GLU C C 13 176.419 175.229 1.190 1
1 82 . 11 1 1 A 13 13 GLU CA C 13 56.519 55.169 1.350 1
1 83 . 11 1 1 A 13 13 GLU CB C 13 30.261 32.825 -2.564 1
1 85 . 11 1 1 A 13 13 GLU N N 13 122.385 121.354 1.031 1
1 86 . 11 1 1 A 14 14 ARG H H 14 8.451 8.470 -0.019 1
1 87 . 11 1 1 A 14 14 ARG HA H 14 4.424 4.363 0.061 1
1 94 . 11 1 1 A 14 14 ARG C C 14 175.230 176.354 -1.124 1
1 95 . 11 1 1 A 14 14 ARG CA C 14 55.188 56.418 -1.230 1
1 96 . 11 1 1 A 14 14 ARG CB C 14 31.003 31.325 -0.322 1
1 99 . 11 1 1 A 14 14 ARG N N 14 121.822 122.675 -0.853 1
1 100 . 11 1 1 A 15 15 ALA H H 15 8.444 8.397 0.047 1
1 101 . 11 1 1 A 15 15 ALA HA H 15 4.633 4.484 0.149 1
1 105 . 11 1 1 A 15 15 ALA C C 15 176.808 177.691 -0.883 1
1 106 . 11 1 1 A 15 15 ALA CA C 15 50.852 50.904 -0.052 1
1 107 . 11 1 1 A 15 15 ALA CB C 15 17.938 17.843 0.095 1
1 108 . 11 1 1 A 15 15 ALA N N 15 125.225 123.424 1.801 1
1 109 . 11 1 1 A 16 16 PRO HA H 16 4.240 4.428 -0.188 1
1 116 . 11 1 1 A 16 16 PRO C C 16 178.993 178.051 0.942 1
1 117 . 11 1 1 A 16 16 PRO CA C 16 65.731 64.518 1.213 1
1 118 . 11 1 1 A 16 16 PRO CB C 16 31.966 32.102 -0.136 1
1 121 . 11 1 1 A 17 17 GLU H H 17 9.453 8.449 1.004 1
1 122 . 11 1 1 A 17 17 GLU HA H 17 4.051 4.070 -0.019 1
1 127 . 11 1 1 A 17 17 GLU C C 17 179.550 179.157 0.393 1
1 128 . 11 1 1 A 17 17 GLU CA C 17 59.568 59.588 -0.020 1
1 129 . 11 1 1 A 17 17 GLU CB C 17 28.613 29.606 -0.993 1
1 131 . 11 1 1 A 17 17 GLU N N 17 116.527 117.946 -1.419 1
1 132 . 11 1 1 A 18 18 GLN H H 18 7.529 8.013 -0.484 1
1 133 . 11 1 1 A 18 18 GLN HA H 18 4.036 3.936 0.100 1
1 140 . 11 1 1 A 18 18 GLN C C 18 176.977 178.325 -1.348 1
1 141 . 11 1 1 A 18 18 GLN CA C 18 58.785 58.810 -0.025 1
1 142 . 11 1 1 A 18 18 GLN CB C 18 28.860 28.175 0.685 1
1 144 . 11 1 1 A 18 18 GLN N N 18 119.048 118.884 0.164 1
1 146 . 11 1 1 A 19 19 LEU H H 19 7.664 8.016 -0.352 1
1 147 . 11 1 1 A 19 19 LEU HA H 19 3.755 3.641 0.114 1
1 157 . 11 1 1 A 19 19 LEU C C 19 178.410 178.619 -0.209 1
1 158 . 11 1 1 A 19 19 LEU CA C 19 57.516 57.526 -0.010 1
1 159 . 11 1 1 A 19 19 LEU CB C 19 41.276 41.606 -0.330 1
1 163 . 11 1 1 A 19 19 LEU N N 19 117.171 120.648 -3.477 1
1 164 . 11 1 1 A 20 20 ARG H H 20 8.188 7.646 0.542 1
1 165 . 11 1 1 A 20 20 ARG HA H 20 3.998 3.972 0.026 1
1 172 . 11 1 1 A 20 20 ARG C C 20 178.993 178.296 0.697 1
1 173 . 11 1 1 A 20 20 ARG CA C 20 59.333 59.403 -0.070 1
1 174 . 11 1 1 A 20 20 ARG CB C 20 30.096 29.951 0.145 1
1 177 . 11 1 1 A 20 20 ARG N N 20 117.090 118.728 -1.638 1
1 178 . 11 1 1 A 21 21 ALA H H 21 7.176 7.555 -0.379 1
1 179 . 11 1 1 A 21 21 ALA HA H 21 4.092 4.035 0.057 1
1 183 . 11 1 1 A 21 21 ALA C C 21 180.571 179.819 0.752 1
1 184 . 11 1 1 A 21 21 ALA CA C 21 54.941 54.761 0.180 1
1 185 . 11 1 1 A 21 21 ALA CB C 21 17.858 18.177 -0.319 1
1 186 . 11 1 1 A 21 21 ALA N N 21 121.201 120.679 0.522 1
1 187 . 11 1 1 A 22 22 LEU H H 22 7.528 7.991 -0.463 1
1 188 . 11 1 1 A 22 22 LEU HA H 22 3.576 3.570 0.006 1
1 198 . 11 1 1 A 22 22 LEU C C 22 177.779 178.345 -0.566 1
1 199 . 11 1 1 A 22 22 LEU CA C 22 58.185 57.855 0.330 1
1 200 . 11 1 1 A 22 22 LEU CB C 22 38.666 40.397 -1.731 1
1 204 . 11 1 1 A 22 22 LEU N N 22 119.669 119.778 -0.109 1
1 205 . 11 1 1 A 23 23 GLU H H 23 8.516 8.455 0.061 1
1 206 . 11 1 1 A 23 23 GLU HA H 23 4.221 4.242 -0.021 1
1 211 . 11 1 1 A 23 23 GLU C C 23 180.352 179.127 1.225 1
1 212 . 11 1 1 A 23 23 GLU CA C 23 59.489 60.131 -0.642 1
1 213 . 11 1 1 A 23 23 GLU CB C 23 29.317 29.489 -0.172 1
1 215 . 11 1 1 A 23 23 GLU N N 23 117.420 117.590 -0.170 1
1 216 . 11 1 1 A 24 24 SER H H 24 8.209 7.626 0.583 1
1 217 . 11 1 1 A 24 24 SER HA H 24 4.303 4.167 0.136 1
1 220 . 11 1 1 A 24 24 SER C C 24 176.710 177.191 -0.481 1
1 221 . 11 1 1 A 24 24 SER CA C 24 61.852 61.841 0.011 1
1 222 . 11 1 1 A 24 24 SER CB C 24 62.767 63.053 -0.286 1
1 223 . 11 1 1 A 24 24 SER N N 24 114.551 115.930 -1.379 1
1 224 . 11 1 1 A 25 25 SER H H 25 7.396 7.939 -0.543 1
1 225 . 11 1 1 A 25 25 SER HA H 25 4.388 4.302 0.086 1
1 228 . 11 1 1 A 25 25 SER C C 25 177.415 176.910 0.505 1
1 229 . 11 1 1 A 25 25 SER CA C 25 61.428 61.377 0.051 1
1 230 . 11 1 1 A 25 25 SER CB C 25 63.319 62.962 0.357 1
1 231 . 11 1 1 A 25 25 SER N N 25 115.081 115.666 -0.585 1
1 232 . 11 1 1 A 26 26 PHE H H 26 9.019 8.988 0.031 1
1 233 . 11 1 1 A 26 26 PHE HA H 26 4.201 4.587 -0.386 1
1 241 . 11 1 1 A 26 26 PHE C C 26 176.419 177.154 -0.735 1
1 242 . 11 1 1 A 26 26 PHE CA C 26 62.239 62.514 -0.275 1
1 243 . 11 1 1 A 26 26 PHE CB C 26 39.437 39.486 -0.049 1
1 249 . 11 1 1 A 26 26 PHE N N 26 120.609 123.459 -2.850 1
1 250 . 11 1 1 A 27 27 ALA H H 27 8.045 8.019 0.026 1
1 251 . 11 1 1 A 27 27 ALA HA H 27 4.062 4.067 -0.005 1
1 255 . 11 1 1 A 27 27 ALA C C 27 179.478 179.845 -0.367 1
1 256 . 11 1 1 A 27 27 ALA CA C 27 53.940 54.958 -1.018 1
1 257 . 11 1 1 A 27 27 ALA CB C 27 18.395 18.427 -0.032 1
1 258 . 11 1 1 A 27 27 ALA N N 27 116.245 121.214 -4.969 1
1 259 . 11 1 1 A 28 28 GLN H H 28 7.416 7.616 -0.200 1
1 260 . 11 1 1 A 28 28 GLN HA H 28 4.198 4.254 -0.056 1
1 267 . 11 1 1 A 28 28 GLN C C 28 177.124 176.103 1.021 1
1 268 . 11 1 1 A 28 28 GLN CA C 28 57.586 57.989 -0.403 1
1 269 . 11 1 1 A 28 28 GLN CB C 28 29.250 29.421 -0.171 1
1 271 . 11 1 1 A 28 28 GLN N N 28 115.857 115.028 0.829 1
1 273 . 11 1 1 A 29 29 ASN H H 29 8.006 7.637 0.369 1
1 274 . 11 1 1 A 29 29 ASN HA H 29 4.780 4.995 -0.215 1
1 279 . 11 1 1 A 29 29 ASN C C 29 172.728 174.817 -2.089 1
1 280 . 11 1 1 A 29 29 ASN CA C 29 51.028 50.730 0.298 1
1 281 . 11 1 1 A 29 29 ASN CB C 29 39.656 40.982 -1.326 1
1 282 . 11 1 1 A 29 29 ASN N N 29 114.892 114.561 0.331 1
1 284 . 11 1 1 A 30 30 PRO HA H 30 4.218 4.730 -0.512 1
1 291 . 11 1 1 A 30 30 PRO C C 30 174.525 176.565 -2.040 1
1 292 . 11 1 1 A 30 30 PRO CA C 30 63.827 64.793 -0.966 1
1 293 . 11 1 1 A 30 30 PRO CB C 30 33.212 32.201 1.011 1
1 296 . 11 1 1 A 31 31 LEU H H 31 7.568 7.900 -0.332 1
1 297 . 11 1 1 A 31 31 LEU HA H 31 4.709 4.453 0.256 1
1 307 . 11 1 1 A 31 31 LEU C C 31 172.607 173.653 -1.046 1
1 308 . 11 1 1 A 31 31 LEU CA C 31 51.944 51.790 0.154 1
1 309 . 11 1 1 A 31 31 LEU CB C 31 42.822 42.721 0.101 1
1 313 . 11 1 1 A 31 31 LEU N N 31 120.819 118.123 2.696 1
1 314 . 11 1 1 A 32 32 PRO HA H 32 4.073 4.506 -0.433 1
1 321 . 11 1 1 A 32 32 PRO C C 32 177.293 177.074 0.219 1
1 322 . 11 1 1 A 32 32 PRO CA C 32 62.627 62.507 0.120 1
1 323 . 11 1 1 A 32 32 PRO CB C 32 31.663 31.882 -0.219 1
1 326 . 11 1 1 A 33 33 LEU H H 33 8.254 8.342 -0.088 1
1 327 . 11 1 1 A 33 33 LEU HA H 33 4.410 4.545 -0.135 1
1 337 . 11 1 1 A 33 33 LEU C C 33 178.312 177.626 0.686 1
1 338 . 11 1 1 A 33 33 LEU CA C 33 53.742 54.066 -0.324 1
1 339 . 11 1 1 A 33 33 LEU CB C 33 42.620 42.746 -0.126 1
1 343 . 11 1 1 A 33 33 LEU N N 33 119.030 121.768 -2.738 1
1 344 . 11 1 1 A 34 34 ASP H H 34 8.532 8.960 -0.428 1
1 345 . 11 1 1 A 34 34 ASP HA H 34 4.187 4.353 -0.166 1
1 348 . 11 1 1 A 34 34 ASP C C 34 177.731 178.444 -0.713 1
1 349 . 11 1 1 A 34 34 ASP CA C 34 58.678 57.212 1.466 1
1 350 . 11 1 1 A 34 34 ASP CB C 34 40.871 39.965 0.906 1
1 351 . 11 1 1 A 34 34 ASP N N 34 120.283 120.893 -0.610 1
1 352 . 11 1 1 A 35 35 GLU H H 35 8.841 8.392 0.449 1
1 353 . 11 1 1 A 35 35 GLU HA H 35 4.135 4.087 0.048 1
1 358 . 11 1 1 A 35 35 GLU C C 35 178.919 178.715 0.204 1
1 359 . 11 1 1 A 35 35 GLU CA C 35 59.801 59.510 0.291 1
1 360 . 11 1 1 A 35 35 GLU CB C 35 28.860 29.336 -0.476 1
1 362 . 11 1 1 A 35 35 GLU N N 35 116.076 118.623 -2.547 1
1 363 . 11 1 1 A 36 36 GLU H H 36 7.242 8.146 -0.904 1
1 364 . 11 1 1 A 36 36 GLU HA H 36 4.762 4.134 0.628 1
1 369 . 11 1 1 A 36 36 GLU C C 36 178.264 178.925 -0.661 1
1 370 . 11 1 1 A 36 36 GLU CA C 36 57.303 58.932 -1.629 1
1 371 . 11 1 1 A 36 36 GLU CB C 36 28.799 29.380 -0.581 1
1 373 . 11 1 1 A 36 36 GLU N N 36 121.997 119.797 2.200 1
1 374 . 11 1 1 A 37 37 LEU H H 37 7.778 8.159 -0.381 1
1 375 . 11 1 1 A 37 37 LEU HA H 37 3.956 4.186 -0.230 1
1 385 . 11 1 1 A 37 37 LEU C C 37 179.381 178.934 0.447 1
1 386 . 11 1 1 A 37 37 LEU CA C 37 58.608 57.151 1.457 1
1 387 . 11 1 1 A 37 37 LEU CB C 37 41.227 41.354 -0.127 1
1 391 . 11 1 1 A 37 37 LEU N N 37 120.816 119.912 0.904 1
1 392 . 11 1 1 A 38 38 ASP H H 38 8.446 8.754 -0.308 1
1 393 . 11 1 1 A 38 38 ASP HA H 38 4.455 4.376 0.079 1
1 396 . 11 1 1 A 38 38 ASP C C 38 179.162 178.598 0.564 1
1 397 . 11 1 1 A 38 38 ASP CA C 38 57.550 57.572 -0.022 1
1 398 . 11 1 1 A 38 38 ASP CB C 38 40.313 41.622 -1.309 1
1 399 . 11 1 1 A 38 38 ASP N N 38 118.274 119.783 -1.509 1
1 400 . 11 1 1 A 39 39 ARG H H 39 7.964 7.997 -0.033 1
1 401 . 11 1 1 A 39 39 ARG HA H 39 4.066 4.124 -0.058 1
1 409 . 11 1 1 A 39 39 ARG C C 39 179.867 178.901 0.966 1
1 410 . 11 1 1 A 39 39 ARG CA C 39 59.801 58.725 1.076 1
1 411 . 11 1 1 A 39 39 ARG CB C 39 29.849 30.053 -0.204 1
1 414 . 11 1 1 A 39 39 ARG N N 39 123.855 120.250 3.605 1
1 416 . 11 1 1 A 40 40 LEU H H 40 8.686 7.984 0.702 1
1 417 . 11 1 1 A 40 40 LEU HA H 40 4.045 3.950 0.095 1
1 427 . 11 1 1 A 40 40 LEU C C 40 180.716 178.949 1.767 1
1 428 . 11 1 1 A 40 40 LEU CA C 40 57.782 57.927 -0.145 1
1 429 . 11 1 1 A 40 40 LEU CB C 40 43.153 41.302 1.851 1
1 433 . 11 1 1 A 40 40 LEU N N 40 118.936 119.642 -0.706 1
1 434 . 11 1 1 A 41 41 ARG H H 41 8.500 8.693 -0.193 1
1 435 . 11 1 1 A 41 41 ARG HA H 41 4.078 4.059 0.019 1
1 442 . 11 1 1 A 41 41 ARG C C 41 178.702 179.121 -0.419 1
1 443 . 11 1 1 A 41 41 ARG CA C 41 60.336 59.515 0.821 1
1 444 . 11 1 1 A 41 41 ARG CB C 41 29.767 29.837 -0.070 1
1 447 . 11 1 1 A 41 41 ARG N N 41 125.386 118.432 6.954 1
1 448 . 11 1 1 A 42 42 SER H H 42 7.762 7.932 -0.170 1
1 449 . 11 1 1 A 42 42 SER HA H 42 4.238 4.134 0.104 1
1 452 . 11 1 1 A 42 42 SER C C 42 176.030 177.023 -0.993 1
1 453 . 11 1 1 A 42 42 SER CA C 42 61.535 61.972 -0.437 1
1 454 . 11 1 1 A 42 42 SER CB C 42 62.892 63.101 -0.209 1
1 455 . 11 1 1 A 42 42 SER N N 42 114.493 117.489 -2.996 1
1 456 . 11 1 1 A 43 43 GLU H H 43 8.031 8.033 -0.002 1
1 457 . 11 1 1 A 43 43 GLU HA H 43 4.220 4.009 0.211 1
1 462 . 11 1 1 A 43 43 GLU C C 43 178.264 178.987 -0.723 1
1 463 . 11 1 1 A 43 43 GLU CA C 43 58.855 59.253 -0.398 1
1 464 . 11 1 1 A 43 43 GLU CB C 43 30.959 29.373 1.586 1
1 466 . 11 1 1 A 43 43 GLU N N 43 118.451 121.718 -3.267 1
1 467 . 11 1 1 A 44 44 THR H H 44 8.387 8.240 0.147 1
1 468 . 11 1 1 A 44 44 THR HA H 44 4.333 4.151 0.182 1
1 473 . 11 1 1 A 44 44 THR C C 44 175.787 174.789 0.998 1
1 474 . 11 1 1 A 44 44 THR CA C 44 63.333 63.041 0.292 1
1 475 . 11 1 1 A 44 44 THR CB C 44 72.112 69.964 2.148 1
1 477 . 11 1 1 A 44 44 THR N N 44 105.689 110.635 -4.946 1
1 478 . 11 1 1 A 45 45 LYS H H 45 7.962 7.637 0.325 1
1 479 . 11 1 1 A 45 45 LYS HA H 45 4.042 4.166 -0.124 1
1 488 . 11 1 1 A 45 45 LYS C C 45 176.298 174.601 1.697 1
1 489 . 11 1 1 A 45 45 LYS CA C 45 57.934 57.297 0.637 1
1 490 . 11 1 1 A 45 45 LYS CB C 45 29.024 29.213 -0.189 1
1 494 . 11 1 1 A 45 45 LYS N N 45 115.260 116.821 -1.561 1
1 495 . 11 1 1 A 46 46 MET H H 46 7.750 7.477 0.273 1
1 496 . 11 1 1 A 46 46 MET HA H 46 4.498 5.129 -0.631 1
1 504 . 11 1 1 A 46 46 MET C C 46 176.127 175.342 0.785 1
1 505 . 11 1 1 A 46 46 MET CA C 46 55.788 54.142 1.646 1
1 506 . 11 1 1 A 46 46 MET CB C 46 36.233 38.017 -1.784 1
1 509 . 11 1 1 A 46 46 MET N N 46 119.026 116.107 2.919 1
1 510 . 11 1 1 A 47 47 THR H H 47 8.712 8.282 0.430 1
1 511 . 11 1 1 A 47 47 THR HA H 47 4.376 4.729 -0.353 1
1 516 . 11 1 1 A 47 47 THR C C 47 175.812 176.337 -0.525 1
1 517 . 11 1 1 A 47 47 THR CA C 47 61.011 60.297 0.714 1
1 518 . 11 1 1 A 47 47 THR CB C 47 70.885 71.469 -0.584 1
1 520 . 11 1 1 A 47 47 THR N N 47 109.504 111.741 -2.237 1
1 521 . 11 1 1 A 48 48 ARG H H 48 9.074 8.934 0.140 1
1 522 . 11 1 1 A 48 48 ARG HA H 48 3.910 3.978 -0.068 1
1 530 . 11 1 1 A 48 48 ARG C C 48 178.119 177.987 0.132 1
1 531 . 11 1 1 A 48 48 ARG CA C 48 59.242 60.629 -1.387 1
1 532 . 11 1 1 A 48 48 ARG CB C 48 29.189 30.199 -1.010 1
1 535 . 11 1 1 A 48 48 ARG N N 48 120.559 122.172 -1.613 1
1 537 . 11 1 1 A 49 49 ARG H H 49 8.384 8.168 0.216 1
1 538 . 11 1 1 A 49 49 ARG HA H 49 4.237 4.108 0.129 1
1 545 . 11 1 1 A 49 49 ARG C C 49 179.478 178.641 0.837 1
1 546 . 11 1 1 A 49 49 ARG CA C 49 59.419 58.958 0.461 1
1 547 . 11 1 1 A 49 49 ARG CB C 49 30.014 30.278 -0.264 1
1 550 . 11 1 1 A 49 49 ARG N N 49 117.267 118.277 -1.010 1
1 551 . 11 1 1 A 50 50 GLU H H 50 7.869 7.964 -0.095 1
1 552 . 11 1 1 A 50 50 GLU HA H 50 4.073 4.051 0.022 1
1 557 . 11 1 1 A 50 50 GLU C C 50 180.036 179.359 0.677 1
1 558 . 11 1 1 A 50 50 GLU CA C 50 59.419 59.203 0.216 1
1 559 . 11 1 1 A 50 50 GLU CB C 50 30.672 29.571 1.101 1
1 561 . 11 1 1 A 50 50 GLU N N 50 119.568 119.172 0.396 1
1 562 . 11 1 1 A 51 51 ILE H H 51 8.451 8.283 0.168 1
1 563 . 11 1 1 A 51 51 ILE HA H 51 3.795 3.646 0.149 1
1 573 . 11 1 1 A 51 51 ILE C C 51 177.706 177.866 -0.160 1
1 574 . 11 1 1 A 51 51 ILE CA C 51 66.329 65.637 0.692 1
1 575 . 11 1 1 A 51 51 ILE CB C 51 38.715 37.871 0.844 1
1 579 . 11 1 1 A 51 51 ILE N N 51 122.516 120.614 1.902 1
1 580 . 11 1 1 A 52 52 ASP H H 52 9.078 8.762 0.316 1
1 581 . 11 1 1 A 52 52 ASP HA H 52 4.561 4.559 0.002 1
1 584 . 11 1 1 A 52 52 ASP C C 52 180.085 178.193 1.892 1
1 585 . 11 1 1 A 52 52 ASP CA C 52 58.249 57.669 0.580 1
1 586 . 11 1 1 A 52 52 ASP CB C 52 40.908 41.123 -0.215 1
1 587 . 11 1 1 A 52 52 ASP N N 52 121.201 121.049 0.152 1
1 588 . 11 1 1 A 53 53 SER H H 53 8.298 7.891 0.407 1
1 589 . 11 1 1 A 53 53 SER HA H 53 4.362 4.228 0.134 1
1 592 . 11 1 1 A 53 53 SER C C 53 175.934 176.861 -0.927 1
1 593 . 11 1 1 A 53 53 SER CA C 53 61.928 61.205 0.723 1
1 594 . 11 1 1 A 53 53 SER CB C 53 62.974 63.071 -0.097 1
1 595 . 11 1 1 A 53 53 SER N N 53 114.616 113.531 1.085 1
1 596 . 11 1 1 A 54 54 TRP H H 54 8.315 8.139 0.176 1
1 597 . 11 1 1 A 54 54 TRP HA H 54 3.993 4.280 -0.287 1
1 606 . 11 1 1 A 54 54 TRP C C 54 179.453 177.788 1.665 1
1 607 . 11 1 1 A 54 54 TRP CA C 54 63.191 61.305 1.886 1
1 608 . 11 1 1 A 54 54 TRP CB C 54 28.777 30.178 -1.401 1
1 614 . 11 1 1 A 54 54 TRP N N 54 123.444 124.205 -0.761 1
1 616 . 11 1 1 A 55 55 PHE H H 55 9.110 8.083 1.027 1
1 617 . 11 1 1 A 55 55 PHE HA H 55 3.880 3.985 -0.105 1
1 625 . 11 1 1 A 55 55 PHE C C 55 178.119 178.248 -0.129 1
1 626 . 11 1 1 A 55 55 PHE CA C 55 63.563 61.642 1.921 1
1 627 . 11 1 1 A 55 55 PHE CB C 55 39.721 39.266 0.455 1
1 633 . 11 1 1 A 55 55 PHE N N 55 119.065 118.331 0.734 1
1 634 . 11 1 1 A 56 56 SER H H 56 8.330 8.207 0.123 1
1 635 . 11 1 1 A 56 56 SER HA H 56 4.173 4.201 -0.028 1
1 638 . 11 1 1 A 56 56 SER C C 56 177.851 175.587 2.264 1
1 639 . 11 1 1 A 56 56 SER CA C 56 61.958 61.252 0.706 1
1 640 . 11 1 1 A 56 56 SER CB C 56 62.727 62.938 -0.211 1
1 641 . 11 1 1 A 56 56 SER N N 56 113.028 114.433 -1.405 1
1 642 . 11 1 1 A 57 57 GLU H H 57 8.070 8.123 -0.053 1
1 643 . 11 1 1 A 57 57 GLU HA H 57 3.922 4.181 -0.259 1
1 648 . 11 1 1 A 57 57 GLU C C 57 178.895 177.654 1.241 1
1 649 . 11 1 1 A 57 57 GLU CA C 57 58.629 56.891 1.738 1
1 650 . 11 1 1 A 57 57 GLU CB C 57 29.107 30.337 -1.230 1
1 652 . 11 1 1 A 57 57 GLU N N 57 119.996 118.809 1.187 1
1 653 . 11 1 1 A 58 58 ARG H H 58 8.048 7.811 0.237 1
1 654 . 11 1 1 A 58 58 ARG HA H 58 3.489 3.676 -0.187 1
1 662 . 11 1 1 A 58 58 ARG C C 58 179.186 178.220 0.966 1
1 663 . 11 1 1 A 58 58 ARG CA C 58 56.770 58.275 -1.505 1
1 664 . 11 1 1 A 58 58 ARG CB C 58 28.145 29.425 -1.280 1
1 667 . 11 1 1 A 58 58 ARG N N 58 122.160 120.752 1.408 1
1 669 . 11 1 1 A 59 59 ARG H H 59 8.093 8.111 -0.018 1
1 670 . 11 1 1 A 59 59 ARG HA H 59 4.212 4.106 0.106 1
1 677 . 11 1 1 A 59 59 ARG C C 59 178.458 177.538 0.920 1
1 678 . 11 1 1 A 59 59 ARG CA C 59 60.019 58.785 1.234 1
1 679 . 11 1 1 A 59 59 ARG CB C 59 31.689 29.797 1.892 1
1 682 . 11 1 1 A 59 59 ARG N N 59 116.818 118.074 -1.256 1
1 683 . 11 1 1 A 60 60 LYS H H 60 7.418 7.892 -0.474 1
1 684 . 11 1 1 A 60 60 LYS HA H 60 4.154 4.062 0.092 1
1 693 . 11 1 1 A 60 60 LYS C C 60 177.803 178.955 -1.152 1
1 694 . 11 1 1 A 60 60 LYS CA C 60 58.327 59.059 -0.732 1
1 695 . 11 1 1 A 60 60 LYS CB C 60 32.651 32.017 0.634 1
1 699 . 11 1 1 A 60 60 LYS N N 60 117.893 118.336 -0.443 1
1 700 . 11 1 1 A 61 61 LYS H H 61 7.510 8.024 -0.514 1
1 701 . 11 1 1 A 61 61 LYS HA H 61 4.177 4.076 0.101 1
1 710 . 11 1 1 A 61 61 LYS C C 61 177.317 178.515 -1.198 1
1 711 . 11 1 1 A 61 61 LYS CA C 61 57.516 58.953 -1.437 1
1 712 . 11 1 1 A 61 61 LYS CB C 61 32.809 32.078 0.731 1
1 716 . 11 1 1 A 61 61 LYS N N 61 119.359 119.415 -0.056 1
1 717 . 11 1 1 A 62 62 VAL H H 62 7.805 7.204 0.601 1
1 718 . 11 1 1 A 62 62 VAL HA H 62 4.013 3.761 0.252 1
1 726 . 11 1 1 A 62 62 VAL C C 62 176.784 177.942 -1.158 1
1 727 . 11 1 1 A 62 62 VAL CA C 62 63.755 66.036 -2.281 1
1 728 . 11 1 1 A 62 62 VAL CB C 62 32.365 31.158 1.207 1
1 731 . 11 1 1 A 62 62 VAL N N 62 119.337 120.502 -1.165 1
1 732 . 11 1 1 A 63 63 ASN H H 63 8.282 8.027 0.255 1
1 733 . 11 1 1 A 63 63 ASN HA H 63 4.700 4.464 0.236 1
1 738 . 11 1 1 A 63 63 ASN C C 63 175.594 176.636 -1.042 1
1 739 . 11 1 1 A 63 63 ASN CA C 63 53.962 55.945 -1.983 1
1 740 . 11 1 1 A 63 63 ASN CB C 63 38.913 38.569 0.344 1
1 741 . 11 1 1 A 63 63 ASN N N 63 120.443 118.587 1.856 1
1 743 . 11 1 1 A 64 64 ALA H H 64 8.225 7.638 0.587 1
1 744 . 11 1 1 A 64 64 ALA HA H 64 4.290 4.429 -0.139 1
1 748 . 11 1 1 A 64 64 ALA C C 64 178.312 176.311 2.001 1
1 749 . 11 1 1 A 64 64 ALA CA C 64 53.319 51.584 1.735 1
1 750 . 11 1 1 A 64 64 ALA CB C 64 19.055 18.704 0.351 1
1 751 . 11 1 1 A 64 64 ALA N N 64 123.747 118.114 5.633 1
1 752 . 11 1 1 A 65 65 GLU H H 65 8.262 7.782 0.480 1
1 753 . 11 1 1 A 65 65 GLU HA H 65 4.233 4.339 -0.106 1
1 758 . 11 1 1 A 65 65 GLU C C 65 177.244 176.614 0.630 1
1 759 . 11 1 1 A 65 65 GLU CA C 65 57.269 56.164 1.105 1
1 760 . 11 1 1 A 65 65 GLU CB C 65 30.114 31.172 -1.058 1
1 762 . 11 1 1 A 65 65 GLU N N 65 118.780 120.856 -2.076 1
1 763 . 11 1 1 A 66 66 GLU H H 66 8.327 8.912 -0.585 1
1 764 . 11 1 1 A 66 66 GLU HA H 66 4.301 3.786 0.515 1
1 769 . 11 1 1 A 66 66 GLU C C 66 177.244 175.711 1.533 1
1 770 . 11 1 1 A 66 66 GLU CA C 66 57.197 57.127 0.070 1
1 771 . 11 1 1 A 66 66 GLU CB C 66 30.227 27.502 2.725 1
1 773 . 11 1 1 A 66 66 GLU N N 66 120.955 121.638 -0.683 1
1 774 . 11 1 1 A 67 67 THR H H 67 8.135 7.875 0.260 1
1 775 . 11 1 1 A 67 67 THR HA H 67 4.280 4.156 0.124 1
1 780 . 11 1 1 A 67 67 THR C C 67 174.816 174.316 0.500 1
1 781 . 11 1 1 A 67 67 THR CA C 67 62.615 63.749 -1.134 1
1 782 . 11 1 1 A 67 67 THR CB C 67 69.648 69.406 0.242 1
1 784 . 11 1 1 A 67 67 THR N N 67 114.856 114.836 0.020 1
1 785 . 11 1 1 A 68 68 LYS H H 68 8.202 8.388 -0.186 1
1 786 . 11 1 1 A 68 68 LYS HA H 68 4.327 4.093 0.234 1
1 795 . 11 1 1 A 68 68 LYS C C 68 176.637 176.607 0.030 1
1 796 . 11 1 1 A 68 68 LYS CA C 68 56.599 57.152 -0.553 1
1 797 . 11 1 1 A 68 68 LYS CB C 68 32.898 32.382 0.516 1
1 801 . 11 1 1 A 68 68 LYS N N 68 123.462 126.444 -2.982 1
1 802 . 11 1 1 A 69 69 LYS H H 69 8.300 8.271 0.029 1
1 803 . 11 1 1 A 69 69 LYS HA H 69 4.375 4.558 -0.183 1
1 812 . 11 1 1 A 69 69 LYS C C 69 176.661 174.795 1.866 1
1 813 . 11 1 1 A 69 69 LYS CA C 69 56.458 55.841 0.617 1
1 814 . 11 1 1 A 69 69 LYS CB C 69 33.145 35.386 -2.241 1
1 818 . 11 1 1 A 69 69 LYS N N 69 122.321 124.492 -2.171 1
1 819 . 11 1 1 A 70 70 SER H H 70 8.330 8.736 -0.406 1
1 820 . 11 1 1 A 70 70 SER HA H 70 4.536 4.065 0.471 1
1 823 . 11 1 1 A 70 70 SER C C 70 174.525 175.771 -1.246 1
1 824 . 11 1 1 A 70 70 SER CA C 70 58.361 60.440 -2.079 1
1 825 . 11 1 1 A 70 70 SER CB C 70 64.022 63.115 0.907 1
1 826 . 11 1 1 A 70 70 SER N N 70 116.687 120.976 -4.289 1
1 827 . 11 1 1 A 71 71 GLY H H 71 8.250 8.887 -0.637 1
1 828 . 11 1 1 A 71 71 GLY C C 71 171.782 174.178 -2.396 1
1 829 . 11 1 1 A 71 71 GLY CA C 71 44.717 46.054 -1.337 1
1 830 . 11 1 1 A 71 71 GLY N N 71 110.366 112.738 -2.372 1
1 831 . 11 1 1 A 72 72 PRO HA H 72 4.141 4.628 -0.487 1
1 832 . 11 1 1 A 74 74 SER HA H 74 4.526 4.989 -0.463 1
1 835 . 11 1 1 A 74 74 SER C C 74 173.918 173.919 -0.001 1
1 836 . 11 1 1 A 74 74 SER CA C 74 58.528 56.438 2.090 1
1 837 . 11 1 1 A 74 74 SER CB C 74 63.972 65.253 -1.281 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 4.146 4.051 0.095 1
1 2 . 12 1 1 A 7 7 GLY CA C 7 44.691 45.324 -0.633 1
1 3 . 12 1 1 A 8 8 PRO HA H 8 4.512 4.565 -0.053 1
1 10 . 12 1 1 A 8 8 PRO C C 8 177.365 176.801 0.564 1
1 11 . 12 1 1 A 8 8 PRO CA C 8 63.297 62.729 0.568 1
1 12 . 12 1 1 A 8 8 PRO CB C 8 32.239 32.803 -0.564 1
1 15 . 12 1 1 A 9 9 THR H H 9 8.295 8.488 -0.193 1
1 16 . 12 1 1 A 9 9 THR HA H 9 4.271 4.310 -0.039 1
1 21 . 12 1 1 A 9 9 THR C C 9 174.452 173.838 0.614 1
1 22 . 12 1 1 A 9 9 THR CA C 9 62.276 61.278 0.998 1
1 23 . 12 1 1 A 9 9 THR CB C 9 69.790 69.846 -0.056 1
1 25 . 12 1 1 A 9 9 THR N N 9 114.885 112.437 2.448 1
1 26 . 12 1 1 A 10 10 LYS H H 10 8.284 8.048 0.236 1
1 27 . 12 1 1 A 10 10 LYS HA H 10 4.281 4.708 -0.427 1
1 35 . 12 1 1 A 10 10 LYS C C 10 176.103 173.861 2.242 1
1 36 . 12 1 1 A 10 10 LYS CA C 10 56.316 55.509 0.807 1
1 37 . 12 1 1 A 10 10 LYS CB C 10 33.062 35.883 -2.821 1
1 41 . 12 1 1 A 10 10 LYS N N 10 123.812 124.600 -0.788 1
1 42 . 12 1 1 A 11 11 TYR H H 11 8.198 9.055 -0.857 1
1 43 . 12 1 1 A 11 11 TYR HA H 11 4.569 5.102 -0.533 1
1 50 . 12 1 1 A 11 11 TYR C C 11 175.496 175.076 0.420 1
1 51 . 12 1 1 A 11 11 TYR CA C 11 58.044 56.478 1.566 1
1 52 . 12 1 1 A 11 11 TYR CB C 11 38.842 40.364 -1.522 1
1 57 . 12 1 1 A 11 11 TYR N N 11 121.375 126.027 -4.652 1
1 58 . 12 1 1 A 12 12 LYS H H 12 8.168 8.768 -0.600 1
1 59 . 12 1 1 A 12 12 LYS HA H 12 4.255 4.911 -0.656 1
1 68 . 12 1 1 A 12 12 LYS C C 12 175.861 174.746 1.115 1
1 69 . 12 1 1 A 12 12 LYS CA C 12 56.050 54.937 1.113 1
1 70 . 12 1 1 A 12 12 LYS CB C 12 33.145 36.202 -3.057 1
1 74 . 12 1 1 A 12 12 LYS N N 12 123.375 123.265 0.110 1
1 75 . 12 1 1 A 13 13 GLU H H 13 8.386 8.992 -0.606 1
1 76 . 12 1 1 A 13 13 GLU HA H 13 4.285 4.803 -0.518 1
1 81 . 12 1 1 A 13 13 GLU C C 13 176.419 176.062 0.357 1
1 82 . 12 1 1 A 13 13 GLU CA C 13 56.519 55.619 0.900 1
1 83 . 12 1 1 A 13 13 GLU CB C 13 30.261 31.176 -0.915 1
1 85 . 12 1 1 A 13 13 GLU N N 13 122.385 124.501 -2.116 1
1 86 . 12 1 1 A 14 14 ARG H H 14 8.451 8.602 -0.151 1
1 87 . 12 1 1 A 14 14 ARG HA H 14 4.424 4.663 -0.239 1
1 94 . 12 1 1 A 14 14 ARG C C 14 175.230 176.167 -0.937 1
1 95 . 12 1 1 A 14 14 ARG CA C 14 55.188 54.765 0.423 1
1 96 . 12 1 1 A 14 14 ARG CB C 14 31.003 31.429 -0.426 1
1 99 . 12 1 1 A 14 14 ARG N N 14 121.822 125.152 -3.330 1
1 100 . 12 1 1 A 15 15 ALA H H 15 8.444 8.474 -0.030 1
1 101 . 12 1 1 A 15 15 ALA HA H 15 4.633 4.595 0.038 1
1 105 . 12 1 1 A 15 15 ALA C C 15 176.808 177.755 -0.947 1
1 106 . 12 1 1 A 15 15 ALA CA C 15 50.852 50.771 0.081 1
1 107 . 12 1 1 A 15 15 ALA CB C 15 17.938 18.340 -0.402 1
1 108 . 12 1 1 A 15 15 ALA N N 15 125.225 123.971 1.254 1
1 109 . 12 1 1 A 16 16 PRO HA H 16 4.240 4.463 -0.223 1
1 116 . 12 1 1 A 16 16 PRO C C 16 178.993 177.864 1.129 1
1 117 . 12 1 1 A 16 16 PRO CA C 16 65.731 64.408 1.323 1
1 118 . 12 1 1 A 16 16 PRO CB C 16 31.966 31.907 0.059 1
1 121 . 12 1 1 A 17 17 GLU H H 17 9.453 8.520 0.933 1
1 122 . 12 1 1 A 17 17 GLU HA H 17 4.051 4.100 -0.049 1
1 127 . 12 1 1 A 17 17 GLU C C 17 179.550 178.981 0.569 1
1 128 . 12 1 1 A 17 17 GLU CA C 17 59.568 59.544 0.024 1
1 129 . 12 1 1 A 17 17 GLU CB C 17 28.613 29.996 -1.383 1
1 131 . 12 1 1 A 17 17 GLU N N 17 116.527 117.380 -0.853 1
1 132 . 12 1 1 A 18 18 GLN H H 18 7.529 8.001 -0.472 1
1 133 . 12 1 1 A 18 18 GLN HA H 18 4.036 3.904 0.132 1
1 140 . 12 1 1 A 18 18 GLN C C 18 176.977 178.308 -1.331 1
1 141 . 12 1 1 A 18 18 GLN CA C 18 58.785 58.843 -0.058 1
1 142 . 12 1 1 A 18 18 GLN CB C 18 28.860 28.204 0.656 1
1 144 . 12 1 1 A 18 18 GLN N N 18 119.048 119.067 -0.019 1
1 146 . 12 1 1 A 19 19 LEU H H 19 7.664 7.986 -0.322 1
1 147 . 12 1 1 A 19 19 LEU HA H 19 3.755 3.656 0.099 1
1 157 . 12 1 1 A 19 19 LEU C C 19 178.410 178.898 -0.488 1
1 158 . 12 1 1 A 19 19 LEU CA C 19 57.516 57.493 0.023 1
1 159 . 12 1 1 A 19 19 LEU CB C 19 41.276 41.571 -0.295 1
1 163 . 12 1 1 A 19 19 LEU N N 19 117.171 120.674 -3.503 1
1 164 . 12 1 1 A 20 20 ARG H H 20 8.188 8.147 0.041 1
1 165 . 12 1 1 A 20 20 ARG HA H 20 3.998 3.962 0.036 1
1 172 . 12 1 1 A 20 20 ARG C C 20 178.993 177.951 1.042 1
1 173 . 12 1 1 A 20 20 ARG CA C 20 59.333 59.339 -0.006 1
1 174 . 12 1 1 A 20 20 ARG CB C 20 30.096 30.046 0.050 1
1 177 . 12 1 1 A 20 20 ARG N N 20 117.090 118.675 -1.585 1
1 178 . 12 1 1 A 21 21 ALA H H 21 7.176 7.964 -0.788 1
1 179 . 12 1 1 A 21 21 ALA HA H 21 4.092 4.311 -0.219 1
1 183 . 12 1 1 A 21 21 ALA C C 21 180.571 179.986 0.585 1
1 184 . 12 1 1 A 21 21 ALA CA C 21 54.941 54.115 0.826 1
1 185 . 12 1 1 A 21 21 ALA CB C 21 17.858 18.982 -1.124 1
1 186 . 12 1 1 A 21 21 ALA N N 21 121.201 121.680 -0.479 1
1 187 . 12 1 1 A 22 22 LEU H H 22 7.528 7.988 -0.460 1
1 188 . 12 1 1 A 22 22 LEU HA H 22 3.576 3.742 -0.166 1
1 198 . 12 1 1 A 22 22 LEU C C 22 177.779 178.769 -0.990 1
1 199 . 12 1 1 A 22 22 LEU CA C 22 58.185 57.905 0.280 1
1 200 . 12 1 1 A 22 22 LEU CB C 22 38.666 40.959 -2.293 1
1 204 . 12 1 1 A 22 22 LEU N N 22 119.669 119.801 -0.132 1
1 205 . 12 1 1 A 23 23 GLU H H 23 8.516 8.739 -0.223 1
1 206 . 12 1 1 A 23 23 GLU HA H 23 4.221 4.138 0.083 1
1 211 . 12 1 1 A 23 23 GLU C C 23 180.352 179.245 1.107 1
1 212 . 12 1 1 A 23 23 GLU CA C 23 59.489 60.147 -0.658 1
1 213 . 12 1 1 A 23 23 GLU CB C 23 29.317 29.399 -0.082 1
1 215 . 12 1 1 A 23 23 GLU N N 23 117.420 117.574 -0.154 1
1 216 . 12 1 1 A 24 24 SER H H 24 8.209 7.951 0.258 1
1 217 . 12 1 1 A 24 24 SER HA H 24 4.303 4.219 0.084 1
1 220 . 12 1 1 A 24 24 SER C C 24 176.710 176.934 -0.224 1
1 221 . 12 1 1 A 24 24 SER CA C 24 61.852 61.330 0.522 1
1 222 . 12 1 1 A 24 24 SER CB C 24 62.767 63.279 -0.512 1
1 223 . 12 1 1 A 24 24 SER N N 24 114.551 115.981 -1.430 1
1 224 . 12 1 1 A 25 25 SER H H 25 7.396 8.035 -0.639 1
1 225 . 12 1 1 A 25 25 SER HA H 25 4.388 4.312 0.076 1
1 228 . 12 1 1 A 25 25 SER C C 25 177.415 176.951 0.464 1
1 229 . 12 1 1 A 25 25 SER CA C 25 61.428 61.682 -0.254 1
1 230 . 12 1 1 A 25 25 SER CB C 25 63.319 62.841 0.478 1
1 231 . 12 1 1 A 25 25 SER N N 25 115.081 115.709 -0.628 1
1 232 . 12 1 1 A 26 26 PHE H H 26 9.019 9.110 -0.091 1
1 233 . 12 1 1 A 26 26 PHE HA H 26 4.201 4.432 -0.231 1
1 241 . 12 1 1 A 26 26 PHE C C 26 176.419 176.868 -0.449 1
1 242 . 12 1 1 A 26 26 PHE CA C 26 62.239 62.364 -0.125 1
1 243 . 12 1 1 A 26 26 PHE CB C 26 39.437 39.308 0.129 1
1 249 . 12 1 1 A 26 26 PHE N N 26 120.609 122.921 -2.312 1
1 250 . 12 1 1 A 27 27 ALA H H 27 8.045 7.915 0.130 1
1 251 . 12 1 1 A 27 27 ALA HA H 27 4.062 4.074 -0.012 1
1 255 . 12 1 1 A 27 27 ALA C C 27 179.478 179.843 -0.365 1
1 256 . 12 1 1 A 27 27 ALA CA C 27 53.940 54.995 -1.055 1
1 257 . 12 1 1 A 27 27 ALA CB C 27 18.395 18.451 -0.056 1
1 258 . 12 1 1 A 27 27 ALA N N 27 116.245 121.093 -4.848 1
1 259 . 12 1 1 A 28 28 GLN H H 28 7.416 8.065 -0.649 1
1 260 . 12 1 1 A 28 28 GLN HA H 28 4.198 4.251 -0.053 1
1 267 . 12 1 1 A 28 28 GLN C C 28 177.124 176.172 0.952 1
1 268 . 12 1 1 A 28 28 GLN CA C 28 57.586 58.013 -0.427 1
1 269 . 12 1 1 A 28 28 GLN CB C 28 29.250 29.461 -0.211 1
1 271 . 12 1 1 A 28 28 GLN N N 28 115.857 114.689 1.168 1
1 273 . 12 1 1 A 29 29 ASN H H 29 8.006 7.644 0.362 1
1 274 . 12 1 1 A 29 29 ASN HA H 29 4.780 4.980 -0.200 1
1 279 . 12 1 1 A 29 29 ASN C C 29 172.728 174.825 -2.097 1
1 280 . 12 1 1 A 29 29 ASN CA C 29 51.028 50.758 0.270 1
1 281 . 12 1 1 A 29 29 ASN CB C 29 39.656 40.999 -1.343 1
1 282 . 12 1 1 A 29 29 ASN N N 29 114.892 114.015 0.877 1
1 284 . 12 1 1 A 30 30 PRO HA H 30 4.218 4.831 -0.613 1
1 291 . 12 1 1 A 30 30 PRO C C 30 174.525 176.540 -2.015 1
1 292 . 12 1 1 A 30 30 PRO CA C 30 63.827 64.741 -0.914 1
1 293 . 12 1 1 A 30 30 PRO CB C 30 33.212 32.269 0.943 1
1 296 . 12 1 1 A 31 31 LEU H H 31 7.568 7.840 -0.272 1
1 297 . 12 1 1 A 31 31 LEU HA H 31 4.709 4.505 0.204 1
1 307 . 12 1 1 A 31 31 LEU C C 31 172.607 173.717 -1.110 1
1 308 . 12 1 1 A 31 31 LEU CA C 31 51.944 51.839 0.105 1
1 309 . 12 1 1 A 31 31 LEU CB C 31 42.822 42.708 0.114 1
1 313 . 12 1 1 A 31 31 LEU N N 31 120.819 118.102 2.717 1
1 314 . 12 1 1 A 32 32 PRO HA H 32 4.073 4.520 -0.447 1
1 321 . 12 1 1 A 32 32 PRO C C 32 177.293 176.815 0.478 1
1 322 . 12 1 1 A 32 32 PRO CA C 32 62.627 62.285 0.342 1
1 323 . 12 1 1 A 32 32 PRO CB C 32 31.663 32.352 -0.689 1
1 326 . 12 1 1 A 33 33 LEU H H 33 8.254 8.394 -0.140 1
1 327 . 12 1 1 A 33 33 LEU HA H 33 4.410 4.709 -0.299 1
1 337 . 12 1 1 A 33 33 LEU C C 33 178.312 177.822 0.490 1
1 338 . 12 1 1 A 33 33 LEU CA C 33 53.742 53.616 0.126 1
1 339 . 12 1 1 A 33 33 LEU CB C 33 42.620 42.607 0.013 1
1 343 . 12 1 1 A 33 33 LEU N N 33 119.030 121.644 -2.614 1
1 344 . 12 1 1 A 34 34 ASP H H 34 8.532 8.997 -0.465 1
1 345 . 12 1 1 A 34 34 ASP HA H 34 4.187 4.341 -0.154 1
1 348 . 12 1 1 A 34 34 ASP C C 34 177.731 178.396 -0.665 1
1 349 . 12 1 1 A 34 34 ASP CA C 34 58.678 56.979 1.699 1
1 350 . 12 1 1 A 34 34 ASP CB C 34 40.871 40.006 0.865 1
1 351 . 12 1 1 A 34 34 ASP N N 34 120.283 121.009 -0.726 1
1 352 . 12 1 1 A 35 35 GLU H H 35 8.841 8.431 0.410 1
1 353 . 12 1 1 A 35 35 GLU HA H 35 4.135 4.076 0.059 1
1 358 . 12 1 1 A 35 35 GLU C C 35 178.919 178.680 0.239 1
1 359 . 12 1 1 A 35 35 GLU CA C 35 59.801 59.498 0.303 1
1 360 . 12 1 1 A 35 35 GLU CB C 35 28.860 29.394 -0.534 1
1 362 . 12 1 1 A 35 35 GLU N N 35 116.076 118.519 -2.443 1
1 363 . 12 1 1 A 36 36 GLU H H 36 7.242 8.099 -0.857 1
1 364 . 12 1 1 A 36 36 GLU HA H 36 4.762 4.135 0.627 1
1 369 . 12 1 1 A 36 36 GLU C C 36 178.264 179.031 -0.767 1
1 370 . 12 1 1 A 36 36 GLU CA C 36 57.303 58.895 -1.592 1
1 371 . 12 1 1 A 36 36 GLU CB C 36 28.799 29.310 -0.511 1
1 373 . 12 1 1 A 36 36 GLU N N 36 121.997 119.684 2.313 1
1 374 . 12 1 1 A 37 37 LEU H H 37 7.778 8.247 -0.469 1
1 375 . 12 1 1 A 37 37 LEU HA H 37 3.956 4.198 -0.242 1
1 385 . 12 1 1 A 37 37 LEU C C 37 179.381 178.783 0.598 1
1 386 . 12 1 1 A 37 37 LEU CA C 37 58.608 57.209 1.399 1
1 387 . 12 1 1 A 37 37 LEU CB C 37 41.227 41.325 -0.098 1
1 391 . 12 1 1 A 37 37 LEU N N 37 120.816 119.989 0.827 1
1 392 . 12 1 1 A 38 38 ASP H H 38 8.446 8.721 -0.275 1
1 393 . 12 1 1 A 38 38 ASP HA H 38 4.455 4.365 0.090 1
1 396 . 12 1 1 A 38 38 ASP C C 38 179.162 178.781 0.381 1
1 397 . 12 1 1 A 38 38 ASP CA C 38 57.550 57.756 -0.206 1
1 398 . 12 1 1 A 38 38 ASP CB C 38 40.313 41.962 -1.649 1
1 399 . 12 1 1 A 38 38 ASP N N 38 118.274 119.820 -1.546 1
1 400 . 12 1 1 A 39 39 ARG H H 39 7.964 7.909 0.055 1
1 401 . 12 1 1 A 39 39 ARG HA H 39 4.066 4.186 -0.120 1
1 409 . 12 1 1 A 39 39 ARG C C 39 179.867 178.648 1.219 1
1 410 . 12 1 1 A 39 39 ARG CA C 39 59.801 58.404 1.397 1
1 411 . 12 1 1 A 39 39 ARG CB C 39 29.849 29.893 -0.044 1
1 414 . 12 1 1 A 39 39 ARG N N 39 123.855 120.256 3.599 1
1 416 . 12 1 1 A 40 40 LEU H H 40 8.686 7.856 0.830 1
1 417 . 12 1 1 A 40 40 LEU HA H 40 4.045 4.034 0.011 1
1 427 . 12 1 1 A 40 40 LEU C C 40 180.716 178.831 1.885 1
1 428 . 12 1 1 A 40 40 LEU CA C 40 57.782 57.928 -0.146 1
1 429 . 12 1 1 A 40 40 LEU CB C 40 43.153 41.159 1.994 1
1 433 . 12 1 1 A 40 40 LEU N N 40 118.936 119.709 -0.773 1
1 434 . 12 1 1 A 41 41 ARG H H 41 8.500 8.903 -0.403 1
1 435 . 12 1 1 A 41 41 ARG HA H 41 4.078 4.028 0.050 1
1 442 . 12 1 1 A 41 41 ARG C C 41 178.702 178.981 -0.279 1
1 443 . 12 1 1 A 41 41 ARG CA C 41 60.336 59.526 0.810 1
1 444 . 12 1 1 A 41 41 ARG CB C 41 29.767 29.838 -0.071 1
1 447 . 12 1 1 A 41 41 ARG N N 41 125.386 118.694 6.692 1
1 448 . 12 1 1 A 42 42 SER H H 42 7.762 7.658 0.104 1
1 449 . 12 1 1 A 42 42 SER HA H 42 4.238 4.176 0.062 1
1 452 . 12 1 1 A 42 42 SER C C 42 176.030 175.627 0.403 1
1 453 . 12 1 1 A 42 42 SER CA C 42 61.535 61.670 -0.135 1
1 454 . 12 1 1 A 42 42 SER CB C 42 62.892 63.257 -0.365 1
1 455 . 12 1 1 A 42 42 SER N N 42 114.493 117.390 -2.897 1
1 456 . 12 1 1 A 43 43 GLU H H 43 8.031 7.998 0.033 1
1 457 . 12 1 1 A 43 43 GLU HA H 43 4.220 4.248 -0.028 1
1 462 . 12 1 1 A 43 43 GLU C C 43 178.264 178.752 -0.488 1
1 463 . 12 1 1 A 43 43 GLU CA C 43 58.855 58.690 0.165 1
1 464 . 12 1 1 A 43 43 GLU CB C 43 30.959 30.437 0.522 1
1 466 . 12 1 1 A 43 43 GLU N N 43 118.451 120.885 -2.434 1
1 467 . 12 1 1 A 44 44 THR H H 44 8.387 8.250 0.137 1
1 468 . 12 1 1 A 44 44 THR HA H 44 4.333 4.129 0.204 1
1 473 . 12 1 1 A 44 44 THR C C 44 175.787 174.645 1.142 1
1 474 . 12 1 1 A 44 44 THR CA C 44 63.333 63.786 -0.453 1
1 475 . 12 1 1 A 44 44 THR CB C 44 72.112 69.956 2.156 1
1 477 . 12 1 1 A 44 44 THR N N 44 105.689 111.635 -5.946 1
1 478 . 12 1 1 A 45 45 LYS H H 45 7.962 7.559 0.403 1
1 479 . 12 1 1 A 45 45 LYS HA H 45 4.042 4.217 -0.175 1
1 488 . 12 1 1 A 45 45 LYS C C 45 176.298 174.738 1.560 1
1 489 . 12 1 1 A 45 45 LYS CA C 45 57.934 57.359 0.575 1
1 490 . 12 1 1 A 45 45 LYS CB C 45 29.024 29.329 -0.305 1
1 494 . 12 1 1 A 45 45 LYS N N 45 115.260 117.065 -1.805 1
1 495 . 12 1 1 A 46 46 MET H H 46 7.750 7.441 0.309 1
1 496 . 12 1 1 A 46 46 MET HA H 46 4.498 5.075 -0.577 1
1 504 . 12 1 1 A 46 46 MET C C 46 176.127 175.140 0.987 1
1 505 . 12 1 1 A 46 46 MET CA C 46 55.788 54.045 1.743 1
1 506 . 12 1 1 A 46 46 MET CB C 46 36.233 37.404 -1.171 1
1 509 . 12 1 1 A 46 46 MET N N 46 119.026 116.193 2.833 1
1 510 . 12 1 1 A 47 47 THR H H 47 8.712 8.461 0.251 1
1 511 . 12 1 1 A 47 47 THR HA H 47 4.376 4.840 -0.464 1
1 516 . 12 1 1 A 47 47 THR C C 47 175.812 176.433 -0.621 1
1 517 . 12 1 1 A 47 47 THR CA C 47 61.011 59.904 1.107 1
1 518 . 12 1 1 A 47 47 THR CB C 47 70.885 71.828 -0.943 1
1 520 . 12 1 1 A 47 47 THR N N 47 109.504 111.287 -1.783 1
1 521 . 12 1 1 A 48 48 ARG H H 48 9.074 8.906 0.168 1
1 522 . 12 1 1 A 48 48 ARG HA H 48 3.910 3.998 -0.088 1
1 530 . 12 1 1 A 48 48 ARG C C 48 178.119 178.096 0.023 1
1 531 . 12 1 1 A 48 48 ARG CA C 48 59.242 60.067 -0.825 1
1 532 . 12 1 1 A 48 48 ARG CB C 48 29.189 29.916 -0.727 1
1 535 . 12 1 1 A 48 48 ARG N N 48 120.559 122.031 -1.472 1
1 537 . 12 1 1 A 49 49 ARG H H 49 8.384 8.255 0.129 1
1 538 . 12 1 1 A 49 49 ARG HA H 49 4.237 4.086 0.151 1
1 545 . 12 1 1 A 49 49 ARG C C 49 179.478 178.687 0.791 1
1 546 . 12 1 1 A 49 49 ARG CA C 49 59.419 59.240 0.179 1
1 547 . 12 1 1 A 49 49 ARG CB C 49 30.014 29.915 0.099 1
1 550 . 12 1 1 A 49 49 ARG N N 49 117.267 118.622 -1.355 1
1 551 . 12 1 1 A 50 50 GLU H H 50 7.869 7.484 0.385 1
1 552 . 12 1 1 A 50 50 GLU HA H 50 4.073 4.106 -0.033 1
1 557 . 12 1 1 A 50 50 GLU C C 50 180.036 179.430 0.606 1
1 558 . 12 1 1 A 50 50 GLU CA C 50 59.419 58.865 0.554 1
1 559 . 12 1 1 A 50 50 GLU CB C 50 30.672 29.598 1.074 1
1 561 . 12 1 1 A 50 50 GLU N N 50 119.568 118.812 0.756 1
1 562 . 12 1 1 A 51 51 ILE H H 51 8.451 8.675 -0.224 1
1 563 . 12 1 1 A 51 51 ILE HA H 51 3.795 3.569 0.226 1
1 573 . 12 1 1 A 51 51 ILE C C 51 177.706 177.938 -0.232 1
1 574 . 12 1 1 A 51 51 ILE CA C 51 66.329 65.820 0.509 1
1 575 . 12 1 1 A 51 51 ILE CB C 51 38.715 38.079 0.636 1
1 579 . 12 1 1 A 51 51 ILE N N 51 122.516 121.391 1.125 1
1 580 . 12 1 1 A 52 52 ASP H H 52 9.078 8.389 0.689 1
1 581 . 12 1 1 A 52 52 ASP HA H 52 4.561 4.557 0.004 1
1 584 . 12 1 1 A 52 52 ASP C C 52 180.085 177.804 2.281 1
1 585 . 12 1 1 A 52 52 ASP CA C 52 58.249 57.862 0.387 1
1 586 . 12 1 1 A 52 52 ASP CB C 52 40.908 41.937 -1.029 1
1 587 . 12 1 1 A 52 52 ASP N N 52 121.201 120.978 0.223 1
1 588 . 12 1 1 A 53 53 SER H H 53 8.298 7.956 0.342 1
1 589 . 12 1 1 A 53 53 SER HA H 53 4.362 4.112 0.250 1
1 592 . 12 1 1 A 53 53 SER C C 53 175.934 176.871 -0.937 1
1 593 . 12 1 1 A 53 53 SER CA C 53 61.928 61.741 0.187 1
1 594 . 12 1 1 A 53 53 SER CB C 53 62.974 63.141 -0.167 1
1 595 . 12 1 1 A 53 53 SER N N 53 114.616 113.616 1.000 1
1 596 . 12 1 1 A 54 54 TRP H H 54 8.315 7.923 0.392 1
1 597 . 12 1 1 A 54 54 TRP HA H 54 3.993 4.163 -0.170 1
1 606 . 12 1 1 A 54 54 TRP C C 54 179.453 177.899 1.554 1
1 607 . 12 1 1 A 54 54 TRP CA C 54 63.191 61.196 1.995 1
1 608 . 12 1 1 A 54 54 TRP CB C 54 28.777 29.819 -1.042 1
1 614 . 12 1 1 A 54 54 TRP N N 54 123.444 123.883 -0.439 1
1 616 . 12 1 1 A 55 55 PHE H H 55 9.110 8.088 1.022 1
1 617 . 12 1 1 A 55 55 PHE HA H 55 3.880 4.072 -0.192 1
1 625 . 12 1 1 A 55 55 PHE C C 55 178.119 178.398 -0.279 1
1 626 . 12 1 1 A 55 55 PHE CA C 55 63.563 61.579 1.984 1
1 627 . 12 1 1 A 55 55 PHE CB C 55 39.721 39.370 0.351 1
1 633 . 12 1 1 A 55 55 PHE N N 55 119.065 118.398 0.667 1
1 634 . 12 1 1 A 56 56 SER H H 56 8.330 8.491 -0.161 1
1 635 . 12 1 1 A 56 56 SER HA H 56 4.173 4.208 -0.035 1
1 638 . 12 1 1 A 56 56 SER C C 56 177.851 175.456 2.395 1
1 639 . 12 1 1 A 56 56 SER CA C 56 61.958 61.111 0.847 1
1 640 . 12 1 1 A 56 56 SER CB C 56 62.727 63.116 -0.389 1
1 641 . 12 1 1 A 56 56 SER N N 56 113.028 114.431 -1.403 1
1 642 . 12 1 1 A 57 57 GLU H H 57 8.070 7.907 0.163 1
1 643 . 12 1 1 A 57 57 GLU HA H 57 3.922 4.185 -0.263 1
1 648 . 12 1 1 A 57 57 GLU C C 57 178.895 177.703 1.192 1
1 649 . 12 1 1 A 57 57 GLU CA C 57 58.629 57.233 1.396 1
1 650 . 12 1 1 A 57 57 GLU CB C 57 29.107 30.191 -1.084 1
1 652 . 12 1 1 A 57 57 GLU N N 57 119.996 119.299 0.697 1
1 653 . 12 1 1 A 58 58 ARG H H 58 8.048 7.820 0.228 1
1 654 . 12 1 1 A 58 58 ARG HA H 58 3.489 3.693 -0.204 1
1 662 . 12 1 1 A 58 58 ARG C C 58 179.186 178.230 0.956 1
1 663 . 12 1 1 A 58 58 ARG CA C 58 56.770 58.123 -1.353 1
1 664 . 12 1 1 A 58 58 ARG CB C 58 28.145 29.504 -1.359 1
1 667 . 12 1 1 A 58 58 ARG N N 58 122.160 120.698 1.462 1
1 669 . 12 1 1 A 59 59 ARG H H 59 8.093 8.257 -0.164 1
1 670 . 12 1 1 A 59 59 ARG HA H 59 4.212 4.189 0.023 1
1 677 . 12 1 1 A 59 59 ARG C C 59 178.458 177.508 0.950 1
1 678 . 12 1 1 A 59 59 ARG CA C 59 60.019 58.818 1.201 1
1 679 . 12 1 1 A 59 59 ARG CB C 59 31.689 30.126 1.563 1
1 682 . 12 1 1 A 59 59 ARG N N 59 116.818 117.998 -1.180 1
1 683 . 12 1 1 A 60 60 LYS H H 60 7.418 7.964 -0.546 1
1 684 . 12 1 1 A 60 60 LYS HA H 60 4.154 4.071 0.083 1
1 693 . 12 1 1 A 60 60 LYS C C 60 177.803 178.896 -1.093 1
1 694 . 12 1 1 A 60 60 LYS CA C 60 58.327 58.880 -0.553 1
1 695 . 12 1 1 A 60 60 LYS CB C 60 32.651 31.770 0.881 1
1 699 . 12 1 1 A 60 60 LYS N N 60 117.893 118.178 -0.285 1
1 700 . 12 1 1 A 61 61 LYS H H 61 7.510 7.958 -0.448 1
1 701 . 12 1 1 A 61 61 LYS HA H 61 4.177 4.095 0.082 1
1 710 . 12 1 1 A 61 61 LYS C C 61 177.317 179.252 -1.935 1
1 711 . 12 1 1 A 61 61 LYS CA C 61 57.516 58.844 -1.328 1
1 712 . 12 1 1 A 61 61 LYS CB C 61 32.809 31.727 1.082 1
1 716 . 12 1 1 A 61 61 LYS N N 61 119.359 119.761 -0.402 1
1 717 . 12 1 1 A 62 62 VAL H H 62 7.805 7.387 0.418 1
1 718 . 12 1 1 A 62 62 VAL HA H 62 4.013 3.713 0.300 1
1 726 . 12 1 1 A 62 62 VAL C C 62 176.784 177.843 -1.059 1
1 727 . 12 1 1 A 62 62 VAL CA C 62 63.755 66.097 -2.342 1
1 728 . 12 1 1 A 62 62 VAL CB C 62 32.365 31.824 0.541 1
1 731 . 12 1 1 A 62 62 VAL N N 62 119.337 120.270 -0.933 1
1 732 . 12 1 1 A 63 63 ASN H H 63 8.282 8.197 0.085 1
1 733 . 12 1 1 A 63 63 ASN HA H 63 4.700 4.532 0.168 1
1 738 . 12 1 1 A 63 63 ASN C C 63 175.594 176.628 -1.034 1
1 739 . 12 1 1 A 63 63 ASN CA C 63 53.962 56.361 -2.399 1
1 740 . 12 1 1 A 63 63 ASN CB C 63 38.913 39.112 -0.199 1
1 741 . 12 1 1 A 63 63 ASN N N 63 120.443 118.820 1.623 1
1 743 . 12 1 1 A 64 64 ALA H H 64 8.225 7.229 0.996 1
1 744 . 12 1 1 A 64 64 ALA HA H 64 4.290 4.414 -0.124 1
1 748 . 12 1 1 A 64 64 ALA C C 64 178.312 176.605 1.707 1
1 749 . 12 1 1 A 64 64 ALA CA C 64 53.319 51.325 1.994 1
1 750 . 12 1 1 A 64 64 ALA CB C 64 19.055 18.533 0.522 1
1 751 . 12 1 1 A 64 64 ALA N N 64 123.747 117.921 5.826 1
1 752 . 12 1 1 A 65 65 GLU H H 65 8.262 7.652 0.610 1
1 753 . 12 1 1 A 65 65 GLU HA H 65 4.233 3.974 0.259 1
1 758 . 12 1 1 A 65 65 GLU C C 65 177.244 177.307 -0.063 1
1 759 . 12 1 1 A 65 65 GLU CA C 65 57.269 56.732 0.537 1
1 760 . 12 1 1 A 65 65 GLU CB C 65 30.114 30.426 -0.312 1
1 762 . 12 1 1 A 65 65 GLU N N 65 118.780 120.178 -1.398 1
1 763 . 12 1 1 A 66 66 GLU H H 66 8.327 9.100 -0.773 1
1 764 . 12 1 1 A 66 66 GLU HA H 66 4.301 3.901 0.400 1
1 769 . 12 1 1 A 66 66 GLU C C 66 177.244 174.981 2.263 1
1 770 . 12 1 1 A 66 66 GLU CA C 66 57.197 57.391 -0.194 1
1 771 . 12 1 1 A 66 66 GLU CB C 66 30.227 28.611 1.616 1
1 773 . 12 1 1 A 66 66 GLU N N 66 120.955 125.308 -4.353 1
1 774 . 12 1 1 A 67 67 THR H H 67 8.135 7.681 0.454 1
1 775 . 12 1 1 A 67 67 THR HA H 67 4.280 4.618 -0.338 1
1 780 . 12 1 1 A 67 67 THR C C 67 174.816 174.226 0.590 1
1 781 . 12 1 1 A 67 67 THR CA C 67 62.615 61.426 1.189 1
1 782 . 12 1 1 A 67 67 THR CB C 67 69.648 71.223 -1.575 1
1 784 . 12 1 1 A 67 67 THR N N 67 114.856 113.228 1.628 1
1 785 . 12 1 1 A 68 68 LYS H H 68 8.202 8.421 -0.219 1
1 786 . 12 1 1 A 68 68 LYS HA H 68 4.327 4.190 0.137 1
1 795 . 12 1 1 A 68 68 LYS C C 68 176.637 176.150 0.487 1
1 796 . 12 1 1 A 68 68 LYS CA C 68 56.599 56.155 0.444 1
1 797 . 12 1 1 A 68 68 LYS CB C 68 32.898 33.074 -0.176 1
1 801 . 12 1 1 A 68 68 LYS N N 68 123.462 126.359 -2.897 1
1 802 . 12 1 1 A 69 69 LYS H H 69 8.300 8.869 -0.569 1
1 803 . 12 1 1 A 69 69 LYS HA H 69 4.375 4.886 -0.511 1
1 812 . 12 1 1 A 69 69 LYS C C 69 176.661 174.463 2.198 1
1 813 . 12 1 1 A 69 69 LYS CA C 69 56.458 54.756 1.702 1
1 814 . 12 1 1 A 69 69 LYS CB C 69 33.145 34.792 -1.647 1
1 818 . 12 1 1 A 69 69 LYS N N 69 122.321 118.155 4.166 1
1 819 . 12 1 1 A 70 70 SER H H 70 8.330 8.616 -0.286 1
1 820 . 12 1 1 A 70 70 SER HA H 70 4.536 4.314 0.222 1
1 823 . 12 1 1 A 70 70 SER C C 70 174.525 174.109 0.416 1
1 824 . 12 1 1 A 70 70 SER CA C 70 58.361 59.099 -0.738 1
1 825 . 12 1 1 A 70 70 SER CB C 70 64.022 63.828 0.194 1
1 826 . 12 1 1 A 70 70 SER N N 70 116.687 116.422 0.265 1
1 827 . 12 1 1 A 71 71 GLY H H 71 8.250 8.435 -0.185 1
1 828 . 12 1 1 A 71 71 GLY C C 71 171.782 174.501 -2.719 1
1 829 . 12 1 1 A 71 71 GLY CA C 71 44.717 45.953 -1.236 1
1 830 . 12 1 1 A 71 71 GLY N N 71 110.366 114.175 -3.809 1
1 831 . 12 1 1 A 72 72 PRO HA H 72 4.141 4.468 -0.327 1
1 832 . 12 1 1 A 74 74 SER HA H 74 4.526 4.091 0.435 1
1 835 . 12 1 1 A 74 74 SER C C 74 173.918 175.170 -1.252 1
1 836 . 12 1 1 A 74 74 SER CA C 74 58.528 60.452 -1.924 1
1 837 . 12 1 1 A 74 74 SER CB C 74 63.972 63.021 0.951 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 4.146 3.867 0.279 1
1 2 . 13 1 1 A 7 7 GLY CA C 7 44.691 46.955 -2.264 1
1 3 . 13 1 1 A 8 8 PRO HA H 8 4.512 4.505 0.007 1
1 10 . 13 1 1 A 8 8 PRO C C 8 177.365 176.278 1.087 1
1 11 . 13 1 1 A 8 8 PRO CA C 8 63.297 63.781 -0.484 1
1 12 . 13 1 1 A 8 8 PRO CB C 8 32.239 31.953 0.286 1
1 15 . 13 1 1 A 9 9 THR H H 9 8.295 7.412 0.883 1
1 16 . 13 1 1 A 9 9 THR HA H 9 4.271 4.112 0.159 1
1 21 . 13 1 1 A 9 9 THR C C 9 174.452 174.256 0.196 1
1 22 . 13 1 1 A 9 9 THR CA C 9 62.276 63.772 -1.496 1
1 23 . 13 1 1 A 9 9 THR CB C 9 69.790 68.912 0.878 1
1 25 . 13 1 1 A 9 9 THR N N 9 114.885 113.585 1.300 1
1 26 . 13 1 1 A 10 10 LYS H H 10 8.284 8.734 -0.450 1
1 27 . 13 1 1 A 10 10 LYS HA H 10 4.281 4.606 -0.325 1
1 35 . 13 1 1 A 10 10 LYS C C 10 176.103 176.569 -0.466 1
1 36 . 13 1 1 A 10 10 LYS CA C 10 56.316 54.298 2.018 1
1 37 . 13 1 1 A 10 10 LYS CB C 10 33.062 35.125 -2.063 1
1 41 . 13 1 1 A 10 10 LYS N N 10 123.812 126.227 -2.415 1
1 42 . 13 1 1 A 11 11 TYR H H 11 8.198 9.239 -1.041 1
1 43 . 13 1 1 A 11 11 TYR HA H 11 4.569 4.283 0.286 1
1 50 . 13 1 1 A 11 11 TYR C C 11 175.496 175.208 0.288 1
1 51 . 13 1 1 A 11 11 TYR CA C 11 58.044 59.961 -1.917 1
1 52 . 13 1 1 A 11 11 TYR CB C 11 38.842 38.493 0.349 1
1 57 . 13 1 1 A 11 11 TYR N N 11 121.375 121.812 -0.437 1
1 58 . 13 1 1 A 12 12 LYS H H 12 8.168 7.959 0.209 1
1 59 . 13 1 1 A 12 12 LYS HA H 12 4.255 3.874 0.381 1
1 68 . 13 1 1 A 12 12 LYS C C 12 175.861 174.737 1.124 1
1 69 . 13 1 1 A 12 12 LYS CA C 12 56.050 57.306 -1.256 1
1 70 . 13 1 1 A 12 12 LYS CB C 12 33.145 30.090 3.055 1
1 74 . 13 1 1 A 12 12 LYS N N 12 123.375 116.554 6.821 1
1 75 . 13 1 1 A 13 13 GLU H H 13 8.386 7.946 0.440 1
1 76 . 13 1 1 A 13 13 GLU HA H 13 4.285 4.943 -0.658 1
1 81 . 13 1 1 A 13 13 GLU C C 13 176.419 175.366 1.053 1
1 82 . 13 1 1 A 13 13 GLU CA C 13 56.519 54.911 1.608 1
1 83 . 13 1 1 A 13 13 GLU CB C 13 30.261 32.127 -1.866 1
1 85 . 13 1 1 A 13 13 GLU N N 13 122.385 115.651 6.734 1
1 86 . 13 1 1 A 14 14 ARG H H 14 8.451 8.568 -0.117 1
1 87 . 13 1 1 A 14 14 ARG HA H 14 4.424 4.306 0.118 1
1 94 . 13 1 1 A 14 14 ARG C C 14 175.230 176.173 -0.943 1
1 95 . 13 1 1 A 14 14 ARG CA C 14 55.188 56.991 -1.803 1
1 96 . 13 1 1 A 14 14 ARG CB C 14 31.003 31.007 -0.004 1
1 99 . 13 1 1 A 14 14 ARG N N 14 121.822 123.922 -2.100 1
1 100 . 13 1 1 A 15 15 ALA H H 15 8.444 8.471 -0.027 1
1 101 . 13 1 1 A 15 15 ALA HA H 15 4.633 4.559 0.074 1
1 105 . 13 1 1 A 15 15 ALA C C 15 176.808 177.715 -0.907 1
1 106 . 13 1 1 A 15 15 ALA CA C 15 50.852 50.785 0.067 1
1 107 . 13 1 1 A 15 15 ALA CB C 15 17.938 18.489 -0.551 1
1 108 . 13 1 1 A 15 15 ALA N N 15 125.225 123.374 1.851 1
1 109 . 13 1 1 A 16 16 PRO HA H 16 4.240 4.342 -0.102 1
1 116 . 13 1 1 A 16 16 PRO C C 16 178.993 178.871 0.122 1
1 117 . 13 1 1 A 16 16 PRO CA C 16 65.731 64.992 0.739 1
1 118 . 13 1 1 A 16 16 PRO CB C 16 31.966 32.031 -0.065 1
1 121 . 13 1 1 A 17 17 GLU H H 17 9.453 8.395 1.058 1
1 122 . 13 1 1 A 17 17 GLU HA H 17 4.051 4.035 0.016 1
1 127 . 13 1 1 A 17 17 GLU C C 17 179.550 179.755 -0.205 1
1 128 . 13 1 1 A 17 17 GLU CA C 17 59.568 60.072 -0.504 1
1 129 . 13 1 1 A 17 17 GLU CB C 17 28.613 29.071 -0.458 1
1 131 . 13 1 1 A 17 17 GLU N N 17 116.527 117.837 -1.310 1
1 132 . 13 1 1 A 18 18 GLN H H 18 7.529 8.064 -0.535 1
1 133 . 13 1 1 A 18 18 GLN HA H 18 4.036 3.894 0.142 1
1 140 . 13 1 1 A 18 18 GLN C C 18 176.977 178.362 -1.385 1
1 141 . 13 1 1 A 18 18 GLN CA C 18 58.785 58.863 -0.078 1
1 142 . 13 1 1 A 18 18 GLN CB C 18 28.860 28.253 0.607 1
1 144 . 13 1 1 A 18 18 GLN N N 18 119.048 118.998 0.050 1
1 146 . 13 1 1 A 19 19 LEU H H 19 7.664 8.073 -0.409 1
1 147 . 13 1 1 A 19 19 LEU HA H 19 3.755 3.699 0.056 1
1 157 . 13 1 1 A 19 19 LEU C C 19 178.410 178.784 -0.374 1
1 158 . 13 1 1 A 19 19 LEU CA C 19 57.516 57.465 0.051 1
1 159 . 13 1 1 A 19 19 LEU CB C 19 41.276 41.629 -0.353 1
1 163 . 13 1 1 A 19 19 LEU N N 19 117.171 120.369 -3.198 1
1 164 . 13 1 1 A 20 20 ARG H H 20 8.188 7.907 0.281 1
1 165 . 13 1 1 A 20 20 ARG HA H 20 3.998 3.968 0.030 1
1 172 . 13 1 1 A 20 20 ARG C C 20 178.993 178.022 0.971 1
1 173 . 13 1 1 A 20 20 ARG CA C 20 59.333 59.368 -0.035 1
1 174 . 13 1 1 A 20 20 ARG CB C 20 30.096 30.030 0.066 1
1 177 . 13 1 1 A 20 20 ARG N N 20 117.090 118.694 -1.604 1
1 178 . 13 1 1 A 21 21 ALA H H 21 7.176 7.844 -0.668 1
1 179 . 13 1 1 A 21 21 ALA HA H 21 4.092 4.180 -0.088 1
1 183 . 13 1 1 A 21 21 ALA C C 21 180.571 179.942 0.629 1
1 184 . 13 1 1 A 21 21 ALA CA C 21 54.941 54.459 0.482 1
1 185 . 13 1 1 A 21 21 ALA CB C 21 17.858 18.717 -0.859 1
1 186 . 13 1 1 A 21 21 ALA N N 21 121.201 121.472 -0.271 1
1 187 . 13 1 1 A 22 22 LEU H H 22 7.528 7.934 -0.406 1
1 188 . 13 1 1 A 22 22 LEU HA H 22 3.576 3.581 -0.005 1
1 198 . 13 1 1 A 22 22 LEU C C 22 177.779 178.712 -0.933 1
1 199 . 13 1 1 A 22 22 LEU CA C 22 58.185 57.923 0.262 1
1 200 . 13 1 1 A 22 22 LEU CB C 22 38.666 40.580 -1.914 1
1 204 . 13 1 1 A 22 22 LEU N N 22 119.669 119.629 0.040 1
1 205 . 13 1 1 A 23 23 GLU H H 23 8.516 8.372 0.144 1
1 206 . 13 1 1 A 23 23 GLU HA H 23 4.221 4.204 0.017 1
1 211 . 13 1 1 A 23 23 GLU C C 23 180.352 179.149 1.203 1
1 212 . 13 1 1 A 23 23 GLU CA C 23 59.489 60.137 -0.648 1
1 213 . 13 1 1 A 23 23 GLU CB C 23 29.317 29.480 -0.163 1
1 215 . 13 1 1 A 23 23 GLU N N 23 117.420 117.566 -0.146 1
1 216 . 13 1 1 A 24 24 SER H H 24 8.209 7.981 0.228 1
1 217 . 13 1 1 A 24 24 SER HA H 24 4.303 4.168 0.135 1
1 220 . 13 1 1 A 24 24 SER C C 24 176.710 177.085 -0.375 1
1 221 . 13 1 1 A 24 24 SER CA C 24 61.852 61.828 0.024 1
1 222 . 13 1 1 A 24 24 SER CB C 24 62.767 63.110 -0.343 1
1 223 . 13 1 1 A 24 24 SER N N 24 114.551 115.767 -1.216 1
1 224 . 13 1 1 A 25 25 SER H H 25 7.396 7.820 -0.424 1
1 225 . 13 1 1 A 25 25 SER HA H 25 4.388 4.305 0.083 1
1 228 . 13 1 1 A 25 25 SER C C 25 177.415 176.907 0.508 1
1 229 . 13 1 1 A 25 25 SER CA C 25 61.428 61.292 0.136 1
1 230 . 13 1 1 A 25 25 SER CB C 25 63.319 63.020 0.299 1
1 231 . 13 1 1 A 25 25 SER N N 25 115.081 115.546 -0.465 1
1 232 . 13 1 1 A 26 26 PHE H H 26 9.019 9.032 -0.013 1
1 233 . 13 1 1 A 26 26 PHE HA H 26 4.201 4.648 -0.447 1
1 241 . 13 1 1 A 26 26 PHE C C 26 176.419 176.810 -0.391 1
1 242 . 13 1 1 A 26 26 PHE CA C 26 62.239 62.405 -0.166 1
1 243 . 13 1 1 A 26 26 PHE CB C 26 39.437 39.456 -0.019 1
1 249 . 13 1 1 A 26 26 PHE N N 26 120.609 123.280 -2.671 1
1 250 . 13 1 1 A 27 27 ALA H H 27 8.045 8.159 -0.114 1
1 251 . 13 1 1 A 27 27 ALA HA H 27 4.062 3.969 0.093 1
1 255 . 13 1 1 A 27 27 ALA C C 27 179.478 179.912 -0.434 1
1 256 . 13 1 1 A 27 27 ALA CA C 27 53.940 55.231 -1.291 1
1 257 . 13 1 1 A 27 27 ALA CB C 27 18.395 18.510 -0.115 1
1 258 . 13 1 1 A 27 27 ALA N N 27 116.245 121.004 -4.759 1
1 259 . 13 1 1 A 28 28 GLN H H 28 7.416 7.788 -0.372 1
1 260 . 13 1 1 A 28 28 GLN HA H 28 4.198 4.181 0.017 1
1 267 . 13 1 1 A 28 28 GLN C C 28 177.124 176.092 1.032 1
1 268 . 13 1 1 A 28 28 GLN CA C 28 57.586 58.997 -1.411 1
1 269 . 13 1 1 A 28 28 GLN CB C 28 29.250 29.170 0.080 1
1 271 . 13 1 1 A 28 28 GLN N N 28 115.857 116.836 -0.979 1
1 273 . 13 1 1 A 29 29 ASN H H 29 8.006 7.692 0.314 1
1 274 . 13 1 1 A 29 29 ASN HA H 29 4.780 5.034 -0.254 1
1 279 . 13 1 1 A 29 29 ASN C C 29 172.728 174.926 -2.198 1
1 280 . 13 1 1 A 29 29 ASN CA C 29 51.028 50.615 0.413 1
1 281 . 13 1 1 A 29 29 ASN CB C 29 39.656 40.759 -1.103 1
1 282 . 13 1 1 A 29 29 ASN N N 29 114.892 114.279 0.613 1
1 284 . 13 1 1 A 30 30 PRO HA H 30 4.218 4.852 -0.634 1
1 291 . 13 1 1 A 30 30 PRO C C 30 174.525 176.684 -2.159 1
1 292 . 13 1 1 A 30 30 PRO CA C 30 63.827 65.172 -1.345 1
1 293 . 13 1 1 A 30 30 PRO CB C 30 33.212 32.286 0.926 1
1 296 . 13 1 1 A 31 31 LEU H H 31 7.568 8.104 -0.536 1
1 297 . 13 1 1 A 31 31 LEU HA H 31 4.709 4.394 0.315 1
1 307 . 13 1 1 A 31 31 LEU C C 31 172.607 173.982 -1.375 1
1 308 . 13 1 1 A 31 31 LEU CA C 31 51.944 51.647 0.297 1
1 309 . 13 1 1 A 31 31 LEU CB C 31 42.822 42.642 0.180 1
1 313 . 13 1 1 A 31 31 LEU N N 31 120.819 117.925 2.894 1
1 314 . 13 1 1 A 32 32 PRO HA H 32 4.073 4.504 -0.431 1
1 321 . 13 1 1 A 32 32 PRO C C 32 177.293 176.792 0.501 1
1 322 . 13 1 1 A 32 32 PRO CA C 32 62.627 62.262 0.365 1
1 323 . 13 1 1 A 32 32 PRO CB C 32 31.663 32.196 -0.533 1
1 326 . 13 1 1 A 33 33 LEU H H 33 8.254 8.362 -0.108 1
1 327 . 13 1 1 A 33 33 LEU HA H 33 4.410 4.672 -0.262 1
1 337 . 13 1 1 A 33 33 LEU C C 33 178.312 177.766 0.546 1
1 338 . 13 1 1 A 33 33 LEU CA C 33 53.742 53.643 0.099 1
1 339 . 13 1 1 A 33 33 LEU CB C 33 42.620 42.523 0.097 1
1 343 . 13 1 1 A 33 33 LEU N N 33 119.030 121.751 -2.721 1
1 344 . 13 1 1 A 34 34 ASP H H 34 8.532 9.003 -0.471 1
1 345 . 13 1 1 A 34 34 ASP HA H 34 4.187 4.335 -0.148 1
1 348 . 13 1 1 A 34 34 ASP C C 34 177.731 178.349 -0.618 1
1 349 . 13 1 1 A 34 34 ASP CA C 34 58.678 57.191 1.487 1
1 350 . 13 1 1 A 34 34 ASP CB C 34 40.871 39.954 0.917 1
1 351 . 13 1 1 A 34 34 ASP N N 34 120.283 120.919 -0.636 1
1 352 . 13 1 1 A 35 35 GLU H H 35 8.841 8.240 0.601 1
1 353 . 13 1 1 A 35 35 GLU HA H 35 4.135 3.975 0.160 1
1 358 . 13 1 1 A 35 35 GLU C C 35 178.919 178.816 0.103 1
1 359 . 13 1 1 A 35 35 GLU CA C 35 59.801 59.633 0.168 1
1 360 . 13 1 1 A 35 35 GLU CB C 35 28.860 29.349 -0.489 1
1 362 . 13 1 1 A 35 35 GLU N N 35 116.076 119.154 -3.078 1
1 363 . 13 1 1 A 36 36 GLU H H 36 7.242 8.145 -0.903 1
1 364 . 13 1 1 A 36 36 GLU HA H 36 4.762 4.065 0.697 1
1 369 . 13 1 1 A 36 36 GLU C C 36 178.264 179.093 -0.829 1
1 370 . 13 1 1 A 36 36 GLU CA C 36 57.303 59.072 -1.769 1
1 371 . 13 1 1 A 36 36 GLU CB C 36 28.799 29.262 -0.463 1
1 373 . 13 1 1 A 36 36 GLU N N 36 121.997 120.314 1.683 1
1 374 . 13 1 1 A 37 37 LEU H H 37 7.778 8.333 -0.555 1
1 375 . 13 1 1 A 37 37 LEU HA H 37 3.956 4.153 -0.197 1
1 385 . 13 1 1 A 37 37 LEU C C 37 179.381 178.752 0.629 1
1 386 . 13 1 1 A 37 37 LEU CA C 37 58.608 57.837 0.771 1
1 387 . 13 1 1 A 37 37 LEU CB C 37 41.227 40.866 0.361 1
1 391 . 13 1 1 A 37 37 LEU N N 37 120.816 120.002 0.814 1
1 392 . 13 1 1 A 38 38 ASP H H 38 8.446 8.661 -0.215 1
1 393 . 13 1 1 A 38 38 ASP HA H 38 4.455 4.293 0.162 1
1 396 . 13 1 1 A 38 38 ASP C C 38 179.162 178.652 0.510 1
1 397 . 13 1 1 A 38 38 ASP CA C 38 57.550 57.910 -0.360 1
1 398 . 13 1 1 A 38 38 ASP CB C 38 40.313 42.404 -2.091 1
1 399 . 13 1 1 A 38 38 ASP N N 38 118.274 119.732 -1.458 1
1 400 . 13 1 1 A 39 39 ARG H H 39 7.964 7.490 0.474 1
1 401 . 13 1 1 A 39 39 ARG HA H 39 4.066 4.062 0.004 1
1 409 . 13 1 1 A 39 39 ARG C C 39 179.867 178.875 0.992 1
1 410 . 13 1 1 A 39 39 ARG CA C 39 59.801 59.252 0.549 1
1 411 . 13 1 1 A 39 39 ARG CB C 39 29.849 30.062 -0.213 1
1 414 . 13 1 1 A 39 39 ARG N N 39 123.855 119.162 4.693 1
1 416 . 13 1 1 A 40 40 LEU H H 40 8.686 7.805 0.881 1
1 417 . 13 1 1 A 40 40 LEU HA H 40 4.045 3.909 0.136 1
1 427 . 13 1 1 A 40 40 LEU C C 40 180.716 178.780 1.936 1
1 428 . 13 1 1 A 40 40 LEU CA C 40 57.782 57.880 -0.098 1
1 429 . 13 1 1 A 40 40 LEU CB C 40 43.153 41.416 1.737 1
1 433 . 13 1 1 A 40 40 LEU N N 40 118.936 120.522 -1.586 1
1 434 . 13 1 1 A 41 41 ARG H H 41 8.500 8.505 -0.005 1
1 435 . 13 1 1 A 41 41 ARG HA H 41 4.078 4.180 -0.102 1
1 442 . 13 1 1 A 41 41 ARG C C 41 178.702 179.186 -0.484 1
1 443 . 13 1 1 A 41 41 ARG CA C 41 60.336 59.936 0.400 1
1 444 . 13 1 1 A 41 41 ARG CB C 41 29.767 29.857 -0.090 1
1 447 . 13 1 1 A 41 41 ARG N N 41 125.386 118.529 6.857 1
1 448 . 13 1 1 A 42 42 SER H H 42 7.762 8.055 -0.293 1
1 449 . 13 1 1 A 42 42 SER HA H 42 4.238 4.171 0.067 1
1 452 . 13 1 1 A 42 42 SER C C 42 176.030 176.836 -0.806 1
1 453 . 13 1 1 A 42 42 SER CA C 42 61.535 61.492 0.043 1
1 454 . 13 1 1 A 42 42 SER CB C 42 62.892 62.876 0.016 1
1 455 . 13 1 1 A 42 42 SER N N 42 114.493 115.249 -0.756 1
1 456 . 13 1 1 A 43 43 GLU H H 43 8.031 8.047 -0.016 1
1 457 . 13 1 1 A 43 43 GLU HA H 43 4.220 4.209 0.011 1
1 462 . 13 1 1 A 43 43 GLU C C 43 178.264 179.013 -0.749 1
1 463 . 13 1 1 A 43 43 GLU CA C 43 58.855 58.903 -0.048 1
1 464 . 13 1 1 A 43 43 GLU CB C 43 30.959 30.235 0.724 1
1 466 . 13 1 1 A 43 43 GLU N N 43 118.451 121.748 -3.297 1
1 467 . 13 1 1 A 44 44 THR H H 44 8.387 8.253 0.134 1
1 468 . 13 1 1 A 44 44 THR HA H 44 4.333 4.074 0.259 1
1 473 . 13 1 1 A 44 44 THR C C 44 175.787 174.834 0.953 1
1 474 . 13 1 1 A 44 44 THR CA C 44 63.333 64.163 -0.830 1
1 475 . 13 1 1 A 44 44 THR CB C 44 72.112 69.996 2.116 1
1 477 . 13 1 1 A 44 44 THR N N 44 105.689 111.251 -5.562 1
1 478 . 13 1 1 A 45 45 LYS H H 45 7.962 8.075 -0.113 1
1 479 . 13 1 1 A 45 45 LYS HA H 45 4.042 4.078 -0.036 1
1 488 . 13 1 1 A 45 45 LYS C C 45 176.298 174.726 1.572 1
1 489 . 13 1 1 A 45 45 LYS CA C 45 57.934 57.331 0.603 1
1 490 . 13 1 1 A 45 45 LYS CB C 45 29.024 29.289 -0.265 1
1 494 . 13 1 1 A 45 45 LYS N N 45 115.260 116.823 -1.563 1
1 495 . 13 1 1 A 46 46 MET H H 46 7.750 7.429 0.321 1
1 496 . 13 1 1 A 46 46 MET HA H 46 4.498 5.062 -0.564 1
1 504 . 13 1 1 A 46 46 MET C C 46 176.127 175.118 1.009 1
1 505 . 13 1 1 A 46 46 MET CA C 46 55.788 54.004 1.784 1
1 506 . 13 1 1 A 46 46 MET CB C 46 36.233 38.032 -1.799 1
1 509 . 13 1 1 A 46 46 MET N N 46 119.026 116.381 2.645 1
1 510 . 13 1 1 A 47 47 THR H H 47 8.712 8.332 0.380 1
1 511 . 13 1 1 A 47 47 THR HA H 47 4.376 4.808 -0.432 1
1 516 . 13 1 1 A 47 47 THR C C 47 175.812 176.407 -0.595 1
1 517 . 13 1 1 A 47 47 THR CA C 47 61.011 59.927 1.084 1
1 518 . 13 1 1 A 47 47 THR CB C 47 70.885 71.871 -0.986 1
1 520 . 13 1 1 A 47 47 THR N N 47 109.504 111.688 -2.184 1
1 521 . 13 1 1 A 48 48 ARG H H 48 9.074 8.990 0.084 1
1 522 . 13 1 1 A 48 48 ARG HA H 48 3.910 3.993 -0.083 1
1 530 . 13 1 1 A 48 48 ARG C C 48 178.119 178.251 -0.132 1
1 531 . 13 1 1 A 48 48 ARG CA C 48 59.242 60.146 -0.904 1
1 532 . 13 1 1 A 48 48 ARG CB C 48 29.189 29.966 -0.777 1
1 535 . 13 1 1 A 48 48 ARG N N 48 120.559 121.973 -1.414 1
1 537 . 13 1 1 A 49 49 ARG H H 49 8.384 8.300 0.084 1
1 538 . 13 1 1 A 49 49 ARG HA H 49 4.237 4.086 0.151 1
1 545 . 13 1 1 A 49 49 ARG C C 49 179.478 178.702 0.776 1
1 546 . 13 1 1 A 49 49 ARG CA C 49 59.419 59.156 0.263 1
1 547 . 13 1 1 A 49 49 ARG CB C 49 30.014 29.941 0.073 1
1 550 . 13 1 1 A 49 49 ARG N N 49 117.267 118.581 -1.314 1
1 551 . 13 1 1 A 50 50 GLU H H 50 7.869 8.033 -0.164 1
1 552 . 13 1 1 A 50 50 GLU HA H 50 4.073 4.095 -0.022 1
1 557 . 13 1 1 A 50 50 GLU C C 50 180.036 179.367 0.669 1
1 558 . 13 1 1 A 50 50 GLU CA C 50 59.419 58.878 0.541 1
1 559 . 13 1 1 A 50 50 GLU CB C 50 30.672 29.463 1.209 1
1 561 . 13 1 1 A 50 50 GLU N N 50 119.568 118.608 0.960 1
1 562 . 13 1 1 A 51 51 ILE H H 51 8.451 8.148 0.303 1
1 563 . 13 1 1 A 51 51 ILE HA H 51 3.795 3.705 0.090 1
1 573 . 13 1 1 A 51 51 ILE C C 51 177.706 177.932 -0.226 1
1 574 . 13 1 1 A 51 51 ILE CA C 51 66.329 65.704 0.625 1
1 575 . 13 1 1 A 51 51 ILE CB C 51 38.715 37.740 0.975 1
1 579 . 13 1 1 A 51 51 ILE N N 51 122.516 120.924 1.592 1
1 580 . 13 1 1 A 52 52 ASP H H 52 9.078 8.998 0.080 1
1 581 . 13 1 1 A 52 52 ASP HA H 52 4.561 4.530 0.031 1
1 584 . 13 1 1 A 52 52 ASP C C 52 180.085 179.157 0.928 1
1 585 . 13 1 1 A 52 52 ASP CA C 52 58.249 57.868 0.381 1
1 586 . 13 1 1 A 52 52 ASP CB C 52 40.908 40.556 0.352 1
1 587 . 13 1 1 A 52 52 ASP N N 52 121.201 121.220 -0.019 1
1 588 . 13 1 1 A 53 53 SER H H 53 8.298 7.926 0.372 1
1 589 . 13 1 1 A 53 53 SER HA H 53 4.362 4.219 0.143 1
1 592 . 13 1 1 A 53 53 SER C C 53 175.934 176.012 -0.078 1
1 593 . 13 1 1 A 53 53 SER CA C 53 61.928 62.586 -0.658 1
1 594 . 13 1 1 A 53 53 SER CB C 53 62.974 63.024 -0.050 1
1 595 . 13 1 1 A 53 53 SER N N 53 114.616 115.777 -1.161 1
1 596 . 13 1 1 A 54 54 TRP H H 54 8.315 7.882 0.433 1
1 597 . 13 1 1 A 54 54 TRP HA H 54 3.993 4.187 -0.194 1
1 606 . 13 1 1 A 54 54 TRP C C 54 179.453 177.837 1.616 1
1 607 . 13 1 1 A 54 54 TRP CA C 54 63.191 61.188 2.003 1
1 608 . 13 1 1 A 54 54 TRP CB C 54 28.777 29.733 -0.956 1
1 614 . 13 1 1 A 54 54 TRP N N 54 123.444 123.546 -0.102 1
1 616 . 13 1 1 A 55 55 PHE H H 55 9.110 8.214 0.896 1
1 617 . 13 1 1 A 55 55 PHE HA H 55 3.880 4.056 -0.176 1
1 625 . 13 1 1 A 55 55 PHE C C 55 178.119 178.037 0.082 1
1 626 . 13 1 1 A 55 55 PHE CA C 55 63.563 61.359 2.204 1
1 627 . 13 1 1 A 55 55 PHE CB C 55 39.721 39.142 0.579 1
1 633 . 13 1 1 A 55 55 PHE N N 55 119.065 118.372 0.693 1
1 634 . 13 1 1 A 56 56 SER H H 56 8.330 8.101 0.229 1
1 635 . 13 1 1 A 56 56 SER HA H 56 4.173 4.166 0.007 1
1 638 . 13 1 1 A 56 56 SER C C 56 177.851 176.205 1.646 1
1 639 . 13 1 1 A 56 56 SER CA C 56 61.958 61.311 0.647 1
1 640 . 13 1 1 A 56 56 SER CB C 56 62.727 62.956 -0.229 1
1 641 . 13 1 1 A 56 56 SER N N 56 113.028 114.409 -1.381 1
1 642 . 13 1 1 A 57 57 GLU H H 57 8.070 7.853 0.217 1
1 643 . 13 1 1 A 57 57 GLU HA H 57 3.922 4.131 -0.209 1
1 648 . 13 1 1 A 57 57 GLU C C 57 178.895 178.558 0.337 1
1 649 . 13 1 1 A 57 57 GLU CA C 57 58.629 57.875 0.754 1
1 650 . 13 1 1 A 57 57 GLU CB C 57 29.107 29.552 -0.445 1
1 652 . 13 1 1 A 57 57 GLU N N 57 119.996 120.153 -0.157 1
1 653 . 13 1 1 A 58 58 ARG H H 58 8.048 7.780 0.268 1
1 654 . 13 1 1 A 58 58 ARG HA H 58 3.489 3.591 -0.102 1
1 662 . 13 1 1 A 58 58 ARG C C 58 179.186 178.355 0.831 1
1 663 . 13 1 1 A 58 58 ARG CA C 58 56.770 58.571 -1.801 1
1 664 . 13 1 1 A 58 58 ARG CB C 58 28.145 29.015 -0.870 1
1 667 . 13 1 1 A 58 58 ARG N N 58 122.160 120.809 1.351 1
1 669 . 13 1 1 A 59 59 ARG H H 59 8.093 8.328 -0.235 1
1 670 . 13 1 1 A 59 59 ARG HA H 59 4.212 4.168 0.044 1
1 677 . 13 1 1 A 59 59 ARG C C 59 178.458 177.651 0.807 1
1 678 . 13 1 1 A 59 59 ARG CA C 59 60.019 58.800 1.219 1
1 679 . 13 1 1 A 59 59 ARG CB C 59 31.689 29.883 1.806 1
1 682 . 13 1 1 A 59 59 ARG N N 59 116.818 117.701 -0.883 1
1 683 . 13 1 1 A 60 60 LYS H H 60 7.418 7.883 -0.465 1
1 684 . 13 1 1 A 60 60 LYS HA H 60 4.154 4.071 0.083 1
1 693 . 13 1 1 A 60 60 LYS C C 60 177.803 178.987 -1.184 1
1 694 . 13 1 1 A 60 60 LYS CA C 60 58.327 59.092 -0.765 1
1 695 . 13 1 1 A 60 60 LYS CB C 60 32.651 32.043 0.608 1
1 699 . 13 1 1 A 60 60 LYS N N 60 117.893 118.373 -0.480 1
1 700 . 13 1 1 A 61 61 LYS H H 61 7.510 7.767 -0.257 1
1 701 . 13 1 1 A 61 61 LYS HA H 61 4.177 4.116 0.061 1
1 710 . 13 1 1 A 61 61 LYS C C 61 177.317 178.777 -1.460 1
1 711 . 13 1 1 A 61 61 LYS CA C 61 57.516 58.840 -1.324 1
1 712 . 13 1 1 A 61 61 LYS CB C 61 32.809 32.197 0.612 1
1 716 . 13 1 1 A 61 61 LYS N N 61 119.359 119.391 -0.032 1
1 717 . 13 1 1 A 62 62 VAL H H 62 7.805 7.539 0.266 1
1 718 . 13 1 1 A 62 62 VAL HA H 62 4.013 3.556 0.457 1
1 726 . 13 1 1 A 62 62 VAL C C 62 176.784 178.234 -1.450 1
1 727 . 13 1 1 A 62 62 VAL CA C 62 63.755 66.316 -2.561 1
1 728 . 13 1 1 A 62 62 VAL CB C 62 32.365 31.648 0.717 1
1 731 . 13 1 1 A 62 62 VAL N N 62 119.337 120.032 -0.695 1
1 732 . 13 1 1 A 63 63 ASN H H 63 8.282 7.777 0.505 1
1 733 . 13 1 1 A 63 63 ASN HA H 63 4.700 4.468 0.232 1
1 738 . 13 1 1 A 63 63 ASN C C 63 175.594 176.822 -1.228 1
1 739 . 13 1 1 A 63 63 ASN CA C 63 53.962 56.304 -2.342 1
1 740 . 13 1 1 A 63 63 ASN CB C 63 38.913 39.048 -0.135 1
1 741 . 13 1 1 A 63 63 ASN N N 63 120.443 118.635 1.808 1
1 743 . 13 1 1 A 64 64 ALA H H 64 8.225 7.606 0.619 1
1 744 . 13 1 1 A 64 64 ALA HA H 64 4.290 4.400 -0.110 1
1 748 . 13 1 1 A 64 64 ALA C C 64 178.312 176.320 1.992 1
1 749 . 13 1 1 A 64 64 ALA CA C 64 53.319 51.703 1.616 1
1 750 . 13 1 1 A 64 64 ALA CB C 64 19.055 18.638 0.417 1
1 751 . 13 1 1 A 64 64 ALA N N 64 123.747 118.350 5.397 1
1 752 . 13 1 1 A 65 65 GLU H H 65 8.262 7.375 0.887 1
1 753 . 13 1 1 A 65 65 GLU HA H 65 4.233 4.337 -0.104 1
1 758 . 13 1 1 A 65 65 GLU C C 65 177.244 176.907 0.337 1
1 759 . 13 1 1 A 65 65 GLU CA C 65 57.269 55.903 1.366 1
1 760 . 13 1 1 A 65 65 GLU CB C 65 30.114 30.987 -0.873 1
1 762 . 13 1 1 A 65 65 GLU N N 65 118.780 120.838 -2.058 1
1 763 . 13 1 1 A 66 66 GLU H H 66 8.327 8.906 -0.579 1
1 764 . 13 1 1 A 66 66 GLU HA H 66 4.301 3.809 0.492 1
1 769 . 13 1 1 A 66 66 GLU C C 66 177.244 175.042 2.202 1
1 770 . 13 1 1 A 66 66 GLU CA C 66 57.197 57.293 -0.096 1
1 771 . 13 1 1 A 66 66 GLU CB C 66 30.227 28.028 2.199 1
1 773 . 13 1 1 A 66 66 GLU N N 66 120.955 120.002 0.953 1
1 774 . 13 1 1 A 67 67 THR H H 67 8.135 7.697 0.438 1
1 775 . 13 1 1 A 67 67 THR HA H 67 4.280 4.646 -0.366 1
1 780 . 13 1 1 A 67 67 THR C C 67 174.816 173.564 1.252 1
1 781 . 13 1 1 A 67 67 THR CA C 67 62.615 61.428 1.187 1
1 782 . 13 1 1 A 67 67 THR CB C 67 69.648 71.476 -1.828 1
1 784 . 13 1 1 A 67 67 THR N N 67 114.856 113.546 1.310 1
1 785 . 13 1 1 A 68 68 LYS H H 68 8.202 8.643 -0.441 1
1 786 . 13 1 1 A 68 68 LYS HA H 68 4.327 4.197 0.130 1
1 795 . 13 1 1 A 68 68 LYS C C 68 176.637 175.203 1.434 1
1 796 . 13 1 1 A 68 68 LYS CA C 68 56.599 57.551 -0.952 1
1 797 . 13 1 1 A 68 68 LYS CB C 68 32.898 33.359 -0.461 1
1 801 . 13 1 1 A 68 68 LYS N N 68 123.462 128.472 -5.010 1
1 802 . 13 1 1 A 69 69 LYS H H 69 8.300 8.273 0.027 1
1 803 . 13 1 1 A 69 69 LYS HA H 69 4.375 4.667 -0.292 1
1 812 . 13 1 1 A 69 69 LYS C C 69 176.661 174.390 2.271 1
1 813 . 13 1 1 A 69 69 LYS CA C 69 56.458 55.636 0.822 1
1 814 . 13 1 1 A 69 69 LYS CB C 69 33.145 36.775 -3.630 1
1 818 . 13 1 1 A 69 69 LYS N N 69 122.321 126.147 -3.826 1
1 819 . 13 1 1 A 70 70 SER H H 70 8.330 8.754 -0.424 1
1 820 . 13 1 1 A 70 70 SER HA H 70 4.536 4.828 -0.292 1
1 823 . 13 1 1 A 70 70 SER C C 70 174.525 174.242 0.283 1
1 824 . 13 1 1 A 70 70 SER CA C 70 58.361 58.243 0.118 1
1 825 . 13 1 1 A 70 70 SER CB C 70 64.022 64.700 -0.678 1
1 826 . 13 1 1 A 70 70 SER N N 70 116.687 120.657 -3.970 1
1 827 . 13 1 1 A 71 71 GLY H H 71 8.250 8.489 -0.239 1
1 828 . 13 1 1 A 71 71 GLY C C 71 171.782 173.954 -2.172 1
1 829 . 13 1 1 A 71 71 GLY CA C 71 44.717 44.471 0.246 1
1 830 . 13 1 1 A 71 71 GLY N N 71 110.366 110.695 -0.329 1
1 831 . 13 1 1 A 72 72 PRO HA H 72 4.141 4.391 -0.250 1
1 832 . 13 1 1 A 74 74 SER HA H 74 4.526 4.825 -0.299 1
1 835 . 13 1 1 A 74 74 SER C C 74 173.918 175.967 -2.049 1
1 836 . 13 1 1 A 74 74 SER CA C 74 58.528 56.967 1.561 1
1 837 . 13 1 1 A 74 74 SER CB C 74 63.972 66.129 -2.157 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 4.146 4.180 -0.034 1
1 2 . 14 1 1 A 7 7 GLY CA C 7 44.691 45.568 -0.877 1
1 3 . 14 1 1 A 8 8 PRO HA H 8 4.512 4.371 0.141 1
1 10 . 14 1 1 A 8 8 PRO C C 8 177.365 176.929 0.436 1
1 11 . 14 1 1 A 8 8 PRO CA C 8 63.297 64.960 -1.663 1
1 12 . 14 1 1 A 8 8 PRO CB C 8 32.239 32.174 0.065 1
1 15 . 14 1 1 A 9 9 THR H H 9 8.295 7.903 0.392 1
1 16 . 14 1 1 A 9 9 THR HA H 9 4.271 4.599 -0.328 1
1 21 . 14 1 1 A 9 9 THR C C 9 174.452 173.299 1.153 1
1 22 . 14 1 1 A 9 9 THR CA C 9 62.276 60.849 1.427 1
1 23 . 14 1 1 A 9 9 THR CB C 9 69.790 70.069 -0.279 1
1 25 . 14 1 1 A 9 9 THR N N 9 114.885 107.510 7.375 1
1 26 . 14 1 1 A 10 10 LYS H H 10 8.284 8.045 0.239 1
1 27 . 14 1 1 A 10 10 LYS HA H 10 4.281 5.016 -0.735 1
1 35 . 14 1 1 A 10 10 LYS C C 10 176.103 174.202 1.901 1
1 36 . 14 1 1 A 10 10 LYS CA C 10 56.316 55.225 1.091 1
1 37 . 14 1 1 A 10 10 LYS CB C 10 33.062 35.465 -2.403 1
1 41 . 14 1 1 A 10 10 LYS N N 10 123.812 127.047 -3.235 1
1 42 . 14 1 1 A 11 11 TYR H H 11 8.198 9.103 -0.905 1
1 43 . 14 1 1 A 11 11 TYR HA H 11 4.569 5.156 -0.587 1
1 50 . 14 1 1 A 11 11 TYR C C 11 175.496 174.746 0.750 1
1 51 . 14 1 1 A 11 11 TYR CA C 11 58.044 56.668 1.376 1
1 52 . 14 1 1 A 11 11 TYR CB C 11 38.842 43.638 -4.796 1
1 57 . 14 1 1 A 11 11 TYR N N 11 121.375 123.443 -2.068 1
1 58 . 14 1 1 A 12 12 LYS H H 12 8.168 8.713 -0.545 1
1 59 . 14 1 1 A 12 12 LYS HA H 12 4.255 5.068 -0.813 1
1 68 . 14 1 1 A 12 12 LYS C C 12 175.861 174.882 0.979 1
1 69 . 14 1 1 A 12 12 LYS CA C 12 56.050 55.117 0.933 1
1 70 . 14 1 1 A 12 12 LYS CB C 12 33.145 36.541 -3.396 1
1 74 . 14 1 1 A 12 12 LYS N N 12 123.375 119.018 4.357 1
1 75 . 14 1 1 A 13 13 GLU H H 13 8.386 9.137 -0.751 1
1 76 . 14 1 1 A 13 13 GLU HA H 13 4.285 5.054 -0.769 1
1 81 . 14 1 1 A 13 13 GLU C C 13 176.419 174.903 1.516 1
1 82 . 14 1 1 A 13 13 GLU CA C 13 56.519 54.565 1.954 1
1 83 . 14 1 1 A 13 13 GLU CB C 13 30.261 33.025 -2.764 1
1 85 . 14 1 1 A 13 13 GLU N N 13 122.385 121.552 0.833 1
1 86 . 14 1 1 A 14 14 ARG H H 14 8.451 8.691 -0.240 1
1 87 . 14 1 1 A 14 14 ARG HA H 14 4.424 4.689 -0.265 1
1 94 . 14 1 1 A 14 14 ARG C C 14 175.230 176.037 -0.807 1
1 95 . 14 1 1 A 14 14 ARG CA C 14 55.188 55.253 -0.065 1
1 96 . 14 1 1 A 14 14 ARG CB C 14 31.003 31.697 -0.694 1
1 99 . 14 1 1 A 14 14 ARG N N 14 121.822 124.731 -2.909 1
1 100 . 14 1 1 A 15 15 ALA H H 15 8.444 8.453 -0.009 1
1 101 . 14 1 1 A 15 15 ALA HA H 15 4.633 4.538 0.095 1
1 105 . 14 1 1 A 15 15 ALA C C 15 176.808 177.730 -0.922 1
1 106 . 14 1 1 A 15 15 ALA CA C 15 50.852 50.803 0.049 1
1 107 . 14 1 1 A 15 15 ALA CB C 15 17.938 17.892 0.046 1
1 108 . 14 1 1 A 15 15 ALA N N 15 125.225 123.695 1.530 1
1 109 . 14 1 1 A 16 16 PRO HA H 16 4.240 4.466 -0.226 1
1 116 . 14 1 1 A 16 16 PRO C C 16 178.993 177.519 1.474 1
1 117 . 14 1 1 A 16 16 PRO CA C 16 65.731 64.477 1.254 1
1 118 . 14 1 1 A 16 16 PRO CB C 16 31.966 31.870 0.096 1
1 121 . 14 1 1 A 17 17 GLU H H 17 9.453 8.530 0.923 1
1 122 . 14 1 1 A 17 17 GLU HA H 17 4.051 4.149 -0.098 1
1 127 . 14 1 1 A 17 17 GLU C C 17 179.550 178.944 0.606 1
1 128 . 14 1 1 A 17 17 GLU CA C 17 59.568 58.966 0.602 1
1 129 . 14 1 1 A 17 17 GLU CB C 17 28.613 30.126 -1.513 1
1 131 . 14 1 1 A 17 17 GLU N N 17 116.527 117.060 -0.533 1
1 132 . 14 1 1 A 18 18 GLN H H 18 7.529 7.945 -0.416 1
1 133 . 14 1 1 A 18 18 GLN HA H 18 4.036 3.997 0.039 1
1 140 . 14 1 1 A 18 18 GLN C C 18 176.977 178.418 -1.441 1
1 141 . 14 1 1 A 18 18 GLN CA C 18 58.785 58.593 0.192 1
1 142 . 14 1 1 A 18 18 GLN CB C 18 28.860 28.366 0.494 1
1 144 . 14 1 1 A 18 18 GLN N N 18 119.048 119.621 -0.573 1
1 146 . 14 1 1 A 19 19 LEU H H 19 7.664 7.978 -0.314 1
1 147 . 14 1 1 A 19 19 LEU HA H 19 3.755 3.639 0.116 1
1 157 . 14 1 1 A 19 19 LEU C C 19 178.410 178.540 -0.130 1
1 158 . 14 1 1 A 19 19 LEU CA C 19 57.516 57.644 -0.128 1
1 159 . 14 1 1 A 19 19 LEU CB C 19 41.276 41.363 -0.087 1
1 163 . 14 1 1 A 19 19 LEU N N 19 117.171 120.607 -3.436 1
1 164 . 14 1 1 A 20 20 ARG H H 20 8.188 8.064 0.124 1
1 165 . 14 1 1 A 20 20 ARG HA H 20 3.998 3.957 0.041 1
1 172 . 14 1 1 A 20 20 ARG C C 20 178.993 178.514 0.479 1
1 173 . 14 1 1 A 20 20 ARG CA C 20 59.333 59.526 -0.193 1
1 174 . 14 1 1 A 20 20 ARG CB C 20 30.096 29.935 0.161 1
1 177 . 14 1 1 A 20 20 ARG N N 20 117.090 119.431 -2.341 1
1 178 . 14 1 1 A 21 21 ALA H H 21 7.176 7.633 -0.457 1
1 179 . 14 1 1 A 21 21 ALA HA H 21 4.092 4.040 0.052 1
1 183 . 14 1 1 A 21 21 ALA C C 21 180.571 179.947 0.624 1
1 184 . 14 1 1 A 21 21 ALA CA C 21 54.941 54.802 0.139 1
1 185 . 14 1 1 A 21 21 ALA CB C 21 17.858 18.274 -0.416 1
1 186 . 14 1 1 A 21 21 ALA N N 21 121.201 121.012 0.189 1
1 187 . 14 1 1 A 22 22 LEU H H 22 7.528 7.913 -0.385 1
1 188 . 14 1 1 A 22 22 LEU HA H 22 3.576 3.748 -0.172 1
1 198 . 14 1 1 A 22 22 LEU C C 22 177.779 178.531 -0.752 1
1 199 . 14 1 1 A 22 22 LEU CA C 22 58.185 57.977 0.208 1
1 200 . 14 1 1 A 22 22 LEU CB C 22 38.666 40.869 -2.203 1
1 204 . 14 1 1 A 22 22 LEU N N 22 119.669 118.623 1.046 1
1 205 . 14 1 1 A 23 23 GLU H H 23 8.516 8.529 -0.013 1
1 206 . 14 1 1 A 23 23 GLU HA H 23 4.221 4.170 0.051 1
1 211 . 14 1 1 A 23 23 GLU C C 23 180.352 179.151 1.201 1
1 212 . 14 1 1 A 23 23 GLU CA C 23 59.489 60.267 -0.778 1
1 213 . 14 1 1 A 23 23 GLU CB C 23 29.317 29.463 -0.146 1
1 215 . 14 1 1 A 23 23 GLU N N 23 117.420 117.631 -0.211 1
1 216 . 14 1 1 A 24 24 SER H H 24 8.209 7.482 0.727 1
1 217 . 14 1 1 A 24 24 SER HA H 24 4.303 4.182 0.121 1
1 220 . 14 1 1 A 24 24 SER C C 24 176.710 177.214 -0.504 1
1 221 . 14 1 1 A 24 24 SER CA C 24 61.852 61.831 0.021 1
1 222 . 14 1 1 A 24 24 SER CB C 24 62.767 63.041 -0.274 1
1 223 . 14 1 1 A 24 24 SER N N 24 114.551 115.898 -1.347 1
1 224 . 14 1 1 A 25 25 SER H H 25 7.396 8.114 -0.718 1
1 225 . 14 1 1 A 25 25 SER HA H 25 4.388 4.282 0.106 1
1 228 . 14 1 1 A 25 25 SER C C 25 177.415 176.941 0.474 1
1 229 . 14 1 1 A 25 25 SER CA C 25 61.428 61.420 0.008 1
1 230 . 14 1 1 A 25 25 SER CB C 25 63.319 62.823 0.496 1
1 231 . 14 1 1 A 25 25 SER N N 25 115.081 115.665 -0.584 1
1 232 . 14 1 1 A 26 26 PHE H H 26 9.019 9.095 -0.076 1
1 233 . 14 1 1 A 26 26 PHE HA H 26 4.201 4.536 -0.335 1
1 241 . 14 1 1 A 26 26 PHE C C 26 176.419 176.961 -0.542 1
1 242 . 14 1 1 A 26 26 PHE CA C 26 62.239 62.590 -0.351 1
1 243 . 14 1 1 A 26 26 PHE CB C 26 39.437 39.402 0.035 1
1 249 . 14 1 1 A 26 26 PHE N N 26 120.609 123.651 -3.042 1
1 250 . 14 1 1 A 27 27 ALA H H 27 8.045 8.020 0.025 1
1 251 . 14 1 1 A 27 27 ALA HA H 27 4.062 3.995 0.067 1
1 255 . 14 1 1 A 27 27 ALA C C 27 179.478 179.895 -0.417 1
1 256 . 14 1 1 A 27 27 ALA CA C 27 53.940 55.193 -1.253 1
1 257 . 14 1 1 A 27 27 ALA CB C 27 18.395 18.406 -0.011 1
1 258 . 14 1 1 A 27 27 ALA N N 27 116.245 121.110 -4.865 1
1 259 . 14 1 1 A 28 28 GLN H H 28 7.416 7.877 -0.461 1
1 260 . 14 1 1 A 28 28 GLN HA H 28 4.198 4.163 0.035 1
1 267 . 14 1 1 A 28 28 GLN C C 28 177.124 176.098 1.026 1
1 268 . 14 1 1 A 28 28 GLN CA C 28 57.586 59.071 -1.485 1
1 269 . 14 1 1 A 28 28 GLN CB C 28 29.250 29.101 0.149 1
1 271 . 14 1 1 A 28 28 GLN N N 28 115.857 117.049 -1.192 1
1 273 . 14 1 1 A 29 29 ASN H H 29 8.006 7.746 0.260 1
1 274 . 14 1 1 A 29 29 ASN HA H 29 4.780 5.021 -0.241 1
1 279 . 14 1 1 A 29 29 ASN C C 29 172.728 174.939 -2.211 1
1 280 . 14 1 1 A 29 29 ASN CA C 29 51.028 50.596 0.432 1
1 281 . 14 1 1 A 29 29 ASN CB C 29 39.656 40.911 -1.255 1
1 282 . 14 1 1 A 29 29 ASN N N 29 114.892 114.320 0.572 1
1 284 . 14 1 1 A 30 30 PRO HA H 30 4.218 4.741 -0.523 1
1 291 . 14 1 1 A 30 30 PRO C C 30 174.525 176.878 -2.353 1
1 292 . 14 1 1 A 30 30 PRO CA C 30 63.827 65.153 -1.326 1
1 293 . 14 1 1 A 30 30 PRO CB C 30 33.212 32.171 1.041 1
1 296 . 14 1 1 A 31 31 LEU H H 31 7.568 8.155 -0.587 1
1 297 . 14 1 1 A 31 31 LEU HA H 31 4.709 4.530 0.179 1
1 307 . 14 1 1 A 31 31 LEU C C 31 172.607 174.294 -1.687 1
1 308 . 14 1 1 A 31 31 LEU CA C 31 51.944 51.683 0.261 1
1 309 . 14 1 1 A 31 31 LEU CB C 31 42.822 42.614 0.208 1
1 313 . 14 1 1 A 31 31 LEU N N 31 120.819 117.458 3.361 1
1 314 . 14 1 1 A 32 32 PRO HA H 32 4.073 4.512 -0.439 1
1 321 . 14 1 1 A 32 32 PRO C C 32 177.293 177.005 0.288 1
1 322 . 14 1 1 A 32 32 PRO CA C 32 62.627 62.490 0.137 1
1 323 . 14 1 1 A 32 32 PRO CB C 32 31.663 31.915 -0.252 1
1 326 . 14 1 1 A 33 33 LEU H H 33 8.254 8.397 -0.143 1
1 327 . 14 1 1 A 33 33 LEU HA H 33 4.410 4.610 -0.200 1
1 337 . 14 1 1 A 33 33 LEU C C 33 178.312 177.698 0.614 1
1 338 . 14 1 1 A 33 33 LEU CA C 33 53.742 53.802 -0.060 1
1 339 . 14 1 1 A 33 33 LEU CB C 33 42.620 42.659 -0.039 1
1 343 . 14 1 1 A 33 33 LEU N N 33 119.030 121.795 -2.765 1
1 344 . 14 1 1 A 34 34 ASP H H 34 8.532 9.017 -0.485 1
1 345 . 14 1 1 A 34 34 ASP HA H 34 4.187 4.356 -0.169 1
1 348 . 14 1 1 A 34 34 ASP C C 34 177.731 178.378 -0.647 1
1 349 . 14 1 1 A 34 34 ASP CA C 34 58.678 57.133 1.545 1
1 350 . 14 1 1 A 34 34 ASP CB C 34 40.871 39.929 0.942 1
1 351 . 14 1 1 A 34 34 ASP N N 34 120.283 120.974 -0.691 1
1 352 . 14 1 1 A 35 35 GLU H H 35 8.841 8.215 0.626 1
1 353 . 14 1 1 A 35 35 GLU HA H 35 4.135 3.969 0.166 1
1 358 . 14 1 1 A 35 35 GLU C C 35 178.919 178.765 0.154 1
1 359 . 14 1 1 A 35 35 GLU CA C 35 59.801 59.465 0.336 1
1 360 . 14 1 1 A 35 35 GLU CB C 35 28.860 29.364 -0.504 1
1 362 . 14 1 1 A 35 35 GLU N N 35 116.076 119.242 -3.166 1
1 363 . 14 1 1 A 36 36 GLU H H 36 7.242 8.232 -0.990 1
1 364 . 14 1 1 A 36 36 GLU HA H 36 4.762 4.053 0.709 1
1 369 . 14 1 1 A 36 36 GLU C C 36 178.264 178.755 -0.491 1
1 370 . 14 1 1 A 36 36 GLU CA C 36 57.303 59.051 -1.748 1
1 371 . 14 1 1 A 36 36 GLU CB C 36 28.799 29.436 -0.637 1
1 373 . 14 1 1 A 36 36 GLU N N 36 121.997 120.369 1.628 1
1 374 . 14 1 1 A 37 37 LEU H H 37 7.778 8.046 -0.268 1
1 375 . 14 1 1 A 37 37 LEU HA H 37 3.956 4.171 -0.215 1
1 385 . 14 1 1 A 37 37 LEU C C 37 179.381 178.822 0.559 1
1 386 . 14 1 1 A 37 37 LEU CA C 37 58.608 57.371 1.237 1
1 387 . 14 1 1 A 37 37 LEU CB C 37 41.227 41.119 0.108 1
1 391 . 14 1 1 A 37 37 LEU N N 37 120.816 120.490 0.326 1
1 392 . 14 1 1 A 38 38 ASP H H 38 8.446 8.680 -0.234 1
1 393 . 14 1 1 A 38 38 ASP HA H 38 4.455 4.363 0.092 1
1 396 . 14 1 1 A 38 38 ASP C C 38 179.162 178.588 0.574 1
1 397 . 14 1 1 A 38 38 ASP CA C 38 57.550 57.605 -0.055 1
1 398 . 14 1 1 A 38 38 ASP CB C 38 40.313 41.589 -1.276 1
1 399 . 14 1 1 A 38 38 ASP N N 38 118.274 119.806 -1.532 1
1 400 . 14 1 1 A 39 39 ARG H H 39 7.964 7.480 0.484 1
1 401 . 14 1 1 A 39 39 ARG HA H 39 4.066 4.045 0.021 1
1 409 . 14 1 1 A 39 39 ARG C C 39 179.867 178.610 1.257 1
1 410 . 14 1 1 A 39 39 ARG CA C 39 59.801 59.282 0.519 1
1 411 . 14 1 1 A 39 39 ARG CB C 39 29.849 30.252 -0.403 1
1 414 . 14 1 1 A 39 39 ARG N N 39 123.855 119.375 4.480 1
1 416 . 14 1 1 A 40 40 LEU H H 40 8.686 7.810 0.876 1
1 417 . 14 1 1 A 40 40 LEU HA H 40 4.045 3.911 0.134 1
1 427 . 14 1 1 A 40 40 LEU C C 40 180.716 178.829 1.887 1
1 428 . 14 1 1 A 40 40 LEU CA C 40 57.782 57.812 -0.030 1
1 429 . 14 1 1 A 40 40 LEU CB C 40 43.153 41.357 1.796 1
1 433 . 14 1 1 A 40 40 LEU N N 40 118.936 120.540 -1.604 1
1 434 . 14 1 1 A 41 41 ARG H H 41 8.500 8.392 0.108 1
1 435 . 14 1 1 A 41 41 ARG HA H 41 4.078 4.086 -0.008 1
1 442 . 14 1 1 A 41 41 ARG C C 41 178.702 178.871 -0.169 1
1 443 . 14 1 1 A 41 41 ARG CA C 41 60.336 59.575 0.761 1
1 444 . 14 1 1 A 41 41 ARG CB C 41 29.767 29.824 -0.057 1
1 447 . 14 1 1 A 41 41 ARG N N 41 125.386 118.045 7.341 1
1 448 . 14 1 1 A 42 42 SER H H 42 7.762 8.207 -0.445 1
1 449 . 14 1 1 A 42 42 SER HA H 42 4.238 4.115 0.123 1
1 452 . 14 1 1 A 42 42 SER C C 42 176.030 177.037 -1.007 1
1 453 . 14 1 1 A 42 42 SER CA C 42 61.535 61.888 -0.353 1
1 454 . 14 1 1 A 42 42 SER CB C 42 62.892 62.958 -0.066 1
1 455 . 14 1 1 A 42 42 SER N N 42 114.493 116.880 -2.387 1
1 456 . 14 1 1 A 43 43 GLU H H 43 8.031 7.692 0.339 1
1 457 . 14 1 1 A 43 43 GLU HA H 43 4.220 4.049 0.171 1
1 462 . 14 1 1 A 43 43 GLU C C 43 178.264 179.199 -0.935 1
1 463 . 14 1 1 A 43 43 GLU CA C 43 58.855 59.355 -0.500 1
1 464 . 14 1 1 A 43 43 GLU CB C 43 30.959 29.643 1.316 1
1 466 . 14 1 1 A 43 43 GLU N N 43 118.451 121.750 -3.299 1
1 467 . 14 1 1 A 44 44 THR H H 44 8.387 8.306 0.081 1
1 468 . 14 1 1 A 44 44 THR HA H 44 4.333 4.125 0.208 1
1 473 . 14 1 1 A 44 44 THR C C 44 175.787 174.952 0.835 1
1 474 . 14 1 1 A 44 44 THR CA C 44 63.333 63.804 -0.471 1
1 475 . 14 1 1 A 44 44 THR CB C 44 72.112 70.040 2.072 1
1 477 . 14 1 1 A 44 44 THR N N 44 105.689 111.830 -6.141 1
1 478 . 14 1 1 A 45 45 LYS H H 45 7.962 7.694 0.268 1
1 479 . 14 1 1 A 45 45 LYS HA H 45 4.042 4.200 -0.158 1
1 488 . 14 1 1 A 45 45 LYS C C 45 176.298 174.945 1.353 1
1 489 . 14 1 1 A 45 45 LYS CA C 45 57.934 57.383 0.551 1
1 490 . 14 1 1 A 45 45 LYS CB C 45 29.024 29.231 -0.207 1
1 494 . 14 1 1 A 45 45 LYS N N 45 115.260 116.642 -1.382 1
1 495 . 14 1 1 A 46 46 MET H H 46 7.750 7.101 0.649 1
1 496 . 14 1 1 A 46 46 MET HA H 46 4.498 5.043 -0.545 1
1 504 . 14 1 1 A 46 46 MET C C 46 176.127 175.122 1.005 1
1 505 . 14 1 1 A 46 46 MET CA C 46 55.788 54.042 1.746 1
1 506 . 14 1 1 A 46 46 MET CB C 46 36.233 36.599 -0.366 1
1 509 . 14 1 1 A 46 46 MET N N 46 119.026 116.373 2.653 1
1 510 . 14 1 1 A 47 47 THR H H 47 8.712 8.397 0.315 1
1 511 . 14 1 1 A 47 47 THR HA H 47 4.376 4.883 -0.507 1
1 516 . 14 1 1 A 47 47 THR C C 47 175.812 176.414 -0.602 1
1 517 . 14 1 1 A 47 47 THR CA C 47 61.011 59.615 1.396 1
1 518 . 14 1 1 A 47 47 THR CB C 47 70.885 72.035 -1.150 1
1 520 . 14 1 1 A 47 47 THR N N 47 109.504 111.575 -2.071 1
1 521 . 14 1 1 A 48 48 ARG H H 48 9.074 9.067 0.007 1
1 522 . 14 1 1 A 48 48 ARG HA H 48 3.910 3.969 -0.059 1
1 530 . 14 1 1 A 48 48 ARG C C 48 178.119 178.060 0.059 1
1 531 . 14 1 1 A 48 48 ARG CA C 48 59.242 60.518 -1.276 1
1 532 . 14 1 1 A 48 48 ARG CB C 48 29.189 29.928 -0.739 1
1 535 . 14 1 1 A 48 48 ARG N N 48 120.559 122.112 -1.553 1
1 537 . 14 1 1 A 49 49 ARG H H 49 8.384 8.210 0.174 1
1 538 . 14 1 1 A 49 49 ARG HA H 49 4.237 4.104 0.133 1
1 545 . 14 1 1 A 49 49 ARG C C 49 179.478 178.692 0.786 1
1 546 . 14 1 1 A 49 49 ARG CA C 49 59.419 59.023 0.396 1
1 547 . 14 1 1 A 49 49 ARG CB C 49 30.014 30.145 -0.131 1
1 550 . 14 1 1 A 49 49 ARG N N 49 117.267 118.407 -1.140 1
1 551 . 14 1 1 A 50 50 GLU H H 50 7.869 7.757 0.112 1
1 552 . 14 1 1 A 50 50 GLU HA H 50 4.073 4.034 0.039 1
1 557 . 14 1 1 A 50 50 GLU C C 50 180.036 179.389 0.647 1
1 558 . 14 1 1 A 50 50 GLU CA C 50 59.419 59.105 0.314 1
1 559 . 14 1 1 A 50 50 GLU CB C 50 30.672 29.347 1.325 1
1 561 . 14 1 1 A 50 50 GLU N N 50 119.568 119.386 0.182 1
1 562 . 14 1 1 A 51 51 ILE H H 51 8.451 8.371 0.080 1
1 563 . 14 1 1 A 51 51 ILE HA H 51 3.795 3.640 0.155 1
1 573 . 14 1 1 A 51 51 ILE C C 51 177.706 178.013 -0.307 1
1 574 . 14 1 1 A 51 51 ILE CA C 51 66.329 65.605 0.724 1
1 575 . 14 1 1 A 51 51 ILE CB C 51 38.715 38.005 0.710 1
1 579 . 14 1 1 A 51 51 ILE N N 51 122.516 121.211 1.305 1
1 580 . 14 1 1 A 52 52 ASP H H 52 9.078 8.765 0.313 1
1 581 . 14 1 1 A 52 52 ASP HA H 52 4.561 4.550 0.011 1
1 584 . 14 1 1 A 52 52 ASP C C 52 180.085 178.092 1.993 1
1 585 . 14 1 1 A 52 52 ASP CA C 52 58.249 57.673 0.576 1
1 586 . 14 1 1 A 52 52 ASP CB C 52 40.908 41.068 -0.160 1
1 587 . 14 1 1 A 52 52 ASP N N 52 121.201 121.282 -0.081 1
1 588 . 14 1 1 A 53 53 SER H H 53 8.298 7.962 0.336 1
1 589 . 14 1 1 A 53 53 SER HA H 53 4.362 4.218 0.144 1
1 592 . 14 1 1 A 53 53 SER C C 53 175.934 176.955 -1.021 1
1 593 . 14 1 1 A 53 53 SER CA C 53 61.928 61.415 0.513 1
1 594 . 14 1 1 A 53 53 SER CB C 53 62.974 63.218 -0.244 1
1 595 . 14 1 1 A 53 53 SER N N 53 114.616 113.560 1.056 1
1 596 . 14 1 1 A 54 54 TRP H H 54 8.315 8.069 0.246 1
1 597 . 14 1 1 A 54 54 TRP HA H 54 3.993 4.247 -0.254 1
1 606 . 14 1 1 A 54 54 TRP C C 54 179.453 178.503 0.950 1
1 607 . 14 1 1 A 54 54 TRP CA C 54 63.191 61.143 2.048 1
1 608 . 14 1 1 A 54 54 TRP CB C 54 28.777 29.403 -0.626 1
1 614 . 14 1 1 A 54 54 TRP N N 54 123.444 123.761 -0.317 1
1 616 . 14 1 1 A 55 55 PHE H H 55 9.110 8.035 1.075 1
1 617 . 14 1 1 A 55 55 PHE HA H 55 3.880 4.071 -0.191 1
1 625 . 14 1 1 A 55 55 PHE C C 55 178.119 178.352 -0.233 1
1 626 . 14 1 1 A 55 55 PHE CA C 55 63.563 61.288 2.275 1
1 627 . 14 1 1 A 55 55 PHE CB C 55 39.721 38.973 0.748 1
1 633 . 14 1 1 A 55 55 PHE N N 55 119.065 118.259 0.806 1
1 634 . 14 1 1 A 56 56 SER H H 56 8.330 8.425 -0.095 1
1 635 . 14 1 1 A 56 56 SER HA H 56 4.173 4.193 -0.020 1
1 638 . 14 1 1 A 56 56 SER C C 56 177.851 175.498 2.353 1
1 639 . 14 1 1 A 56 56 SER CA C 56 61.958 61.139 0.819 1
1 640 . 14 1 1 A 56 56 SER CB C 56 62.727 62.953 -0.226 1
1 641 . 14 1 1 A 56 56 SER N N 56 113.028 114.508 -1.480 1
1 642 . 14 1 1 A 57 57 GLU H H 57 8.070 8.020 0.050 1
1 643 . 14 1 1 A 57 57 GLU HA H 57 3.922 4.335 -0.413 1
1 648 . 14 1 1 A 57 57 GLU C C 57 178.895 177.939 0.956 1
1 649 . 14 1 1 A 57 57 GLU CA C 57 58.629 56.826 1.803 1
1 650 . 14 1 1 A 57 57 GLU CB C 57 29.107 30.312 -1.205 1
1 652 . 14 1 1 A 57 57 GLU N N 57 119.996 118.998 0.998 1
1 653 . 14 1 1 A 58 58 ARG H H 58 8.048 7.908 0.140 1
1 654 . 14 1 1 A 58 58 ARG HA H 58 3.489 3.711 -0.222 1
1 662 . 14 1 1 A 58 58 ARG C C 58 179.186 178.333 0.853 1
1 663 . 14 1 1 A 58 58 ARG CA C 58 56.770 58.341 -1.571 1
1 664 . 14 1 1 A 58 58 ARG CB C 58 28.145 29.371 -1.226 1
1 667 . 14 1 1 A 58 58 ARG N N 58 122.160 120.809 1.351 1
1 669 . 14 1 1 A 59 59 ARG H H 59 8.093 8.131 -0.038 1
1 670 . 14 1 1 A 59 59 ARG HA H 59 4.212 4.205 0.007 1
1 677 . 14 1 1 A 59 59 ARG C C 59 178.458 177.521 0.937 1
1 678 . 14 1 1 A 59 59 ARG CA C 59 60.019 58.836 1.183 1
1 679 . 14 1 1 A 59 59 ARG CB C 59 31.689 29.838 1.851 1
1 682 . 14 1 1 A 59 59 ARG N N 59 116.818 118.130 -1.312 1
1 683 . 14 1 1 A 60 60 LYS H H 60 7.418 7.994 -0.576 1
1 684 . 14 1 1 A 60 60 LYS HA H 60 4.154 4.077 0.077 1
1 693 . 14 1 1 A 60 60 LYS C C 60 177.803 178.618 -0.815 1
1 694 . 14 1 1 A 60 60 LYS CA C 60 58.327 59.110 -0.783 1
1 695 . 14 1 1 A 60 60 LYS CB C 60 32.651 32.012 0.639 1
1 699 . 14 1 1 A 60 60 LYS N N 60 117.893 118.345 -0.452 1
1 700 . 14 1 1 A 61 61 LYS H H 61 7.510 8.014 -0.504 1
1 701 . 14 1 1 A 61 61 LYS HA H 61 4.177 3.969 0.208 1
1 710 . 14 1 1 A 61 61 LYS C C 61 177.317 179.310 -1.993 1
1 711 . 14 1 1 A 61 61 LYS CA C 61 57.516 59.317 -1.801 1
1 712 . 14 1 1 A 61 61 LYS CB C 61 32.809 32.418 0.391 1
1 716 . 14 1 1 A 61 61 LYS N N 61 119.359 119.255 0.104 1
1 717 . 14 1 1 A 62 62 VAL H H 62 7.805 7.706 0.099 1
1 718 . 14 1 1 A 62 62 VAL HA H 62 4.013 3.606 0.407 1
1 726 . 14 1 1 A 62 62 VAL C C 62 176.784 178.400 -1.616 1
1 727 . 14 1 1 A 62 62 VAL CA C 62 63.755 66.410 -2.655 1
1 728 . 14 1 1 A 62 62 VAL CB C 62 32.365 31.448 0.917 1
1 731 . 14 1 1 A 62 62 VAL N N 62 119.337 119.965 -0.628 1
1 732 . 14 1 1 A 63 63 ASN H H 63 8.282 8.211 0.071 1
1 733 . 14 1 1 A 63 63 ASN HA H 63 4.700 4.447 0.253 1
1 738 . 14 1 1 A 63 63 ASN C C 63 175.594 176.839 -1.245 1
1 739 . 14 1 1 A 63 63 ASN CA C 63 53.962 56.105 -2.143 1
1 740 . 14 1 1 A 63 63 ASN CB C 63 38.913 38.708 0.205 1
1 741 . 14 1 1 A 63 63 ASN N N 63 120.443 118.422 2.021 1
1 743 . 14 1 1 A 64 64 ALA H H 64 8.225 7.086 1.139 1
1 744 . 14 1 1 A 64 64 ALA HA H 64 4.290 4.401 -0.111 1
1 748 . 14 1 1 A 64 64 ALA C C 64 178.312 176.577 1.735 1
1 749 . 14 1 1 A 64 64 ALA CA C 64 53.319 51.791 1.528 1
1 750 . 14 1 1 A 64 64 ALA CB C 64 19.055 18.573 0.482 1
1 751 . 14 1 1 A 64 64 ALA N N 64 123.747 118.357 5.390 1
1 752 . 14 1 1 A 65 65 GLU H H 65 8.262 7.914 0.348 1
1 753 . 14 1 1 A 65 65 GLU HA H 65 4.233 4.134 0.099 1
1 758 . 14 1 1 A 65 65 GLU C C 65 177.244 176.986 0.258 1
1 759 . 14 1 1 A 65 65 GLU CA C 65 57.269 56.429 0.840 1
1 760 . 14 1 1 A 65 65 GLU CB C 65 30.114 30.559 -0.445 1
1 762 . 14 1 1 A 65 65 GLU N N 65 118.780 120.466 -1.686 1
1 763 . 14 1 1 A 66 66 GLU H H 66 8.327 8.917 -0.590 1
1 764 . 14 1 1 A 66 66 GLU HA H 66 4.301 3.834 0.467 1
1 769 . 14 1 1 A 66 66 GLU C C 66 177.244 175.032 2.212 1
1 770 . 14 1 1 A 66 66 GLU CA C 66 57.197 57.242 -0.045 1
1 771 . 14 1 1 A 66 66 GLU CB C 66 30.227 27.871 2.356 1
1 773 . 14 1 1 A 66 66 GLU N N 66 120.955 121.101 -0.146 1
1 774 . 14 1 1 A 67 67 THR H H 67 8.135 7.808 0.327 1
1 775 . 14 1 1 A 67 67 THR HA H 67 4.280 4.644 -0.364 1
1 780 . 14 1 1 A 67 67 THR C C 67 174.816 174.373 0.443 1
1 781 . 14 1 1 A 67 67 THR CA C 67 62.615 61.524 1.091 1
1 782 . 14 1 1 A 67 67 THR CB C 67 69.648 69.785 -0.137 1
1 784 . 14 1 1 A 67 67 THR N N 67 114.856 114.354 0.502 1
1 785 . 14 1 1 A 68 68 LYS H H 68 8.202 8.671 -0.469 1
1 786 . 14 1 1 A 68 68 LYS HA H 68 4.327 4.160 0.167 1
1 795 . 14 1 1 A 68 68 LYS C C 68 176.637 176.779 -0.142 1
1 796 . 14 1 1 A 68 68 LYS CA C 68 56.599 57.215 -0.616 1
1 797 . 14 1 1 A 68 68 LYS CB C 68 32.898 32.793 0.105 1
1 801 . 14 1 1 A 68 68 LYS N N 68 123.462 127.380 -3.918 1
1 802 . 14 1 1 A 69 69 LYS H H 69 8.300 8.970 -0.670 1
1 803 . 14 1 1 A 69 69 LYS HA H 69 4.375 4.856 -0.481 1
1 812 . 14 1 1 A 69 69 LYS C C 69 176.661 175.735 0.926 1
1 813 . 14 1 1 A 69 69 LYS CA C 69 56.458 54.310 2.148 1
1 814 . 14 1 1 A 69 69 LYS CB C 69 33.145 36.464 -3.319 1
1 818 . 14 1 1 A 69 69 LYS N N 69 122.321 124.247 -1.926 1
1 819 . 14 1 1 A 70 70 SER H H 70 8.330 8.587 -0.257 1
1 820 . 14 1 1 A 70 70 SER HA H 70 4.536 4.447 0.089 1
1 823 . 14 1 1 A 70 70 SER C C 70 174.525 175.138 -0.613 1
1 824 . 14 1 1 A 70 70 SER CA C 70 58.361 59.716 -1.355 1
1 825 . 14 1 1 A 70 70 SER CB C 70 64.022 62.859 1.163 1
1 826 . 14 1 1 A 70 70 SER N N 70 116.687 115.683 1.004 1
1 827 . 14 1 1 A 71 71 GLY H H 71 8.250 8.973 -0.723 1
1 828 . 14 1 1 A 71 71 GLY C C 71 171.782 174.636 -2.854 1
1 829 . 14 1 1 A 71 71 GLY CA C 71 44.717 46.579 -1.862 1
1 830 . 14 1 1 A 71 71 GLY N N 71 110.366 113.724 -3.358 1
1 831 . 14 1 1 A 72 72 PRO HA H 72 4.141 4.460 -0.319 1
1 832 . 14 1 1 A 74 74 SER HA H 74 4.526 4.365 0.161 1
1 835 . 14 1 1 A 74 74 SER C C 74 173.918 174.622 -0.704 1
1 836 . 14 1 1 A 74 74 SER CA C 74 58.528 59.702 -1.174 1
1 837 . 14 1 1 A 74 74 SER CB C 74 63.972 63.993 -0.021 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 4.146 4.135 0.011 1
1 2 . 15 1 1 A 7 7 GLY CA C 7 44.691 45.481 -0.790 1
1 3 . 15 1 1 A 8 8 PRO HA H 8 4.512 4.572 -0.060 1
1 10 . 15 1 1 A 8 8 PRO C C 8 177.365 175.524 1.841 1
1 11 . 15 1 1 A 8 8 PRO CA C 8 63.297 62.722 0.575 1
1 12 . 15 1 1 A 8 8 PRO CB C 8 32.239 32.461 -0.222 1
1 15 . 15 1 1 A 9 9 THR H H 9 8.295 8.386 -0.091 1
1 16 . 15 1 1 A 9 9 THR HA H 9 4.271 4.769 -0.498 1
1 21 . 15 1 1 A 9 9 THR C C 9 174.452 174.128 0.324 1
1 22 . 15 1 1 A 9 9 THR CA C 9 62.276 60.582 1.694 1
1 23 . 15 1 1 A 9 9 THR CB C 9 69.790 70.945 -1.155 1
1 25 . 15 1 1 A 9 9 THR N N 9 114.885 116.305 -1.420 1
1 26 . 15 1 1 A 10 10 LYS H H 10 8.284 8.751 -0.467 1
1 27 . 15 1 1 A 10 10 LYS HA H 10 4.281 4.670 -0.389 1
1 35 . 15 1 1 A 10 10 LYS C C 10 176.103 175.854 0.249 1
1 36 . 15 1 1 A 10 10 LYS CA C 10 56.316 54.518 1.798 1
1 37 . 15 1 1 A 10 10 LYS CB C 10 33.062 33.941 -0.879 1
1 41 . 15 1 1 A 10 10 LYS N N 10 123.812 123.005 0.807 1
1 42 . 15 1 1 A 11 11 TYR H H 11 8.198 8.602 -0.404 1
1 43 . 15 1 1 A 11 11 TYR HA H 11 4.569 4.708 -0.139 1
1 50 . 15 1 1 A 11 11 TYR C C 11 175.496 175.651 -0.155 1
1 51 . 15 1 1 A 11 11 TYR CA C 11 58.044 58.167 -0.123 1
1 52 . 15 1 1 A 11 11 TYR CB C 11 38.842 39.392 -0.550 1
1 57 . 15 1 1 A 11 11 TYR N N 11 121.375 119.516 1.859 1
1 58 . 15 1 1 A 12 12 LYS H H 12 8.168 8.477 -0.309 1
1 59 . 15 1 1 A 12 12 LYS HA H 12 4.255 4.211 0.044 1
1 68 . 15 1 1 A 12 12 LYS C C 12 175.861 176.321 -0.460 1
1 69 . 15 1 1 A 12 12 LYS CA C 12 56.050 56.679 -0.629 1
1 70 . 15 1 1 A 12 12 LYS CB C 12 33.145 32.721 0.424 1
1 74 . 15 1 1 A 12 12 LYS N N 12 123.375 122.349 1.026 1
1 75 . 15 1 1 A 13 13 GLU H H 13 8.386 8.573 -0.187 1
1 76 . 15 1 1 A 13 13 GLU HA H 13 4.285 4.256 0.029 1
1 81 . 15 1 1 A 13 13 GLU C C 13 176.419 176.201 0.218 1
1 82 . 15 1 1 A 13 13 GLU CA C 13 56.519 56.169 0.350 1
1 83 . 15 1 1 A 13 13 GLU CB C 13 30.261 30.057 0.204 1
1 85 . 15 1 1 A 13 13 GLU N N 13 122.385 120.362 2.023 1
1 86 . 15 1 1 A 14 14 ARG H H 14 8.451 8.704 -0.253 1
1 87 . 15 1 1 A 14 14 ARG HA H 14 4.424 4.613 -0.189 1
1 94 . 15 1 1 A 14 14 ARG C C 14 175.230 175.965 -0.735 1
1 95 . 15 1 1 A 14 14 ARG CA C 14 55.188 55.155 0.033 1
1 96 . 15 1 1 A 14 14 ARG CB C 14 31.003 31.781 -0.778 1
1 99 . 15 1 1 A 14 14 ARG N N 14 121.822 122.088 -0.266 1
1 100 . 15 1 1 A 15 15 ALA H H 15 8.444 8.433 0.011 1
1 101 . 15 1 1 A 15 15 ALA HA H 15 4.633 4.650 -0.017 1
1 105 . 15 1 1 A 15 15 ALA C C 15 176.808 177.700 -0.892 1
1 106 . 15 1 1 A 15 15 ALA CA C 15 50.852 50.592 0.260 1
1 107 . 15 1 1 A 15 15 ALA CB C 15 17.938 18.709 -0.771 1
1 108 . 15 1 1 A 15 15 ALA N N 15 125.225 123.514 1.711 1
1 109 . 15 1 1 A 16 16 PRO HA H 16 4.240 4.486 -0.246 1
1 116 . 15 1 1 A 16 16 PRO C C 16 178.993 177.806 1.187 1
1 117 . 15 1 1 A 16 16 PRO CA C 16 65.731 64.409 1.322 1
1 118 . 15 1 1 A 16 16 PRO CB C 16 31.966 31.758 0.208 1
1 121 . 15 1 1 A 17 17 GLU H H 17 9.453 8.535 0.918 1
1 122 . 15 1 1 A 17 17 GLU HA H 17 4.051 4.134 -0.083 1
1 127 . 15 1 1 A 17 17 GLU C C 17 179.550 178.872 0.678 1
1 128 . 15 1 1 A 17 17 GLU CA C 17 59.568 59.468 0.100 1
1 129 . 15 1 1 A 17 17 GLU CB C 17 28.613 30.146 -1.533 1
1 131 . 15 1 1 A 17 17 GLU N N 17 116.527 117.316 -0.789 1
1 132 . 15 1 1 A 18 18 GLN H H 18 7.529 8.041 -0.512 1
1 133 . 15 1 1 A 18 18 GLN HA H 18 4.036 3.934 0.102 1
1 140 . 15 1 1 A 18 18 GLN C C 18 176.977 178.238 -1.261 1
1 141 . 15 1 1 A 18 18 GLN CA C 18 58.785 58.693 0.092 1
1 142 . 15 1 1 A 18 18 GLN CB C 18 28.860 28.405 0.455 1
1 144 . 15 1 1 A 18 18 GLN N N 18 119.048 119.143 -0.095 1
1 146 . 15 1 1 A 19 19 LEU H H 19 7.664 8.045 -0.381 1
1 147 . 15 1 1 A 19 19 LEU HA H 19 3.755 3.694 0.061 1
1 157 . 15 1 1 A 19 19 LEU C C 19 178.410 178.800 -0.390 1
1 158 . 15 1 1 A 19 19 LEU CA C 19 57.516 57.571 -0.055 1
1 159 . 15 1 1 A 19 19 LEU CB C 19 41.276 41.579 -0.303 1
1 163 . 15 1 1 A 19 19 LEU N N 19 117.171 120.319 -3.148 1
1 164 . 15 1 1 A 20 20 ARG H H 20 8.188 8.089 0.099 1
1 165 . 15 1 1 A 20 20 ARG HA H 20 3.998 3.933 0.065 1
1 172 . 15 1 1 A 20 20 ARG C C 20 178.993 178.234 0.759 1
1 173 . 15 1 1 A 20 20 ARG CA C 20 59.333 59.494 -0.161 1
1 174 . 15 1 1 A 20 20 ARG CB C 20 30.096 29.979 0.117 1
1 177 . 15 1 1 A 20 20 ARG N N 20 117.090 118.793 -1.703 1
1 178 . 15 1 1 A 21 21 ALA H H 21 7.176 7.668 -0.492 1
1 179 . 15 1 1 A 21 21 ALA HA H 21 4.092 4.087 0.005 1
1 183 . 15 1 1 A 21 21 ALA C C 21 180.571 179.755 0.816 1
1 184 . 15 1 1 A 21 21 ALA CA C 21 54.941 54.732 0.209 1
1 185 . 15 1 1 A 21 21 ALA CB C 21 17.858 18.486 -0.628 1
1 186 . 15 1 1 A 21 21 ALA N N 21 121.201 121.524 -0.323 1
1 187 . 15 1 1 A 22 22 LEU H H 22 7.528 7.881 -0.353 1
1 188 . 15 1 1 A 22 22 LEU HA H 22 3.576 3.593 -0.017 1
1 198 . 15 1 1 A 22 22 LEU C C 22 177.779 178.500 -0.721 1
1 199 . 15 1 1 A 22 22 LEU CA C 22 58.185 57.807 0.378 1
1 200 . 15 1 1 A 22 22 LEU CB C 22 38.666 40.703 -2.037 1
1 204 . 15 1 1 A 22 22 LEU N N 22 119.669 118.613 1.056 1
1 205 . 15 1 1 A 23 23 GLU H H 23 8.516 8.457 0.059 1
1 206 . 15 1 1 A 23 23 GLU HA H 23 4.221 4.245 -0.024 1
1 211 . 15 1 1 A 23 23 GLU C C 23 180.352 179.110 1.242 1
1 212 . 15 1 1 A 23 23 GLU CA C 23 59.489 59.795 -0.306 1
1 213 . 15 1 1 A 23 23 GLU CB C 23 29.317 29.523 -0.206 1
1 215 . 15 1 1 A 23 23 GLU N N 23 117.420 117.611 -0.191 1
1 216 . 15 1 1 A 24 24 SER H H 24 8.209 7.551 0.658 1
1 217 . 15 1 1 A 24 24 SER HA H 24 4.303 4.196 0.107 1
1 220 . 15 1 1 A 24 24 SER C C 24 176.710 177.024 -0.314 1
1 221 . 15 1 1 A 24 24 SER CA C 24 61.852 61.804 0.048 1
1 222 . 15 1 1 A 24 24 SER CB C 24 62.767 62.952 -0.185 1
1 223 . 15 1 1 A 24 24 SER N N 24 114.551 115.585 -1.034 1
1 224 . 15 1 1 A 25 25 SER H H 25 7.396 8.120 -0.724 1
1 225 . 15 1 1 A 25 25 SER HA H 25 4.388 4.296 0.092 1
1 228 . 15 1 1 A 25 25 SER C C 25 177.415 176.957 0.458 1
1 229 . 15 1 1 A 25 25 SER CA C 25 61.428 61.008 0.420 1
1 230 . 15 1 1 A 25 25 SER CB C 25 63.319 63.250 0.069 1
1 231 . 15 1 1 A 25 25 SER N N 25 115.081 115.749 -0.668 1
1 232 . 15 1 1 A 26 26 PHE H H 26 9.019 8.313 0.706 1
1 233 . 15 1 1 A 26 26 PHE HA H 26 4.201 4.663 -0.462 1
1 241 . 15 1 1 A 26 26 PHE C C 26 176.419 177.124 -0.705 1
1 242 . 15 1 1 A 26 26 PHE CA C 26 62.239 61.857 0.382 1
1 243 . 15 1 1 A 26 26 PHE CB C 26 39.437 39.380 0.057 1
1 249 . 15 1 1 A 26 26 PHE N N 26 120.609 123.122 -2.513 1
1 250 . 15 1 1 A 27 27 ALA H H 27 8.045 8.112 -0.067 1
1 251 . 15 1 1 A 27 27 ALA HA H 27 4.062 4.057 0.005 1
1 255 . 15 1 1 A 27 27 ALA C C 27 179.478 179.657 -0.179 1
1 256 . 15 1 1 A 27 27 ALA CA C 27 53.940 55.018 -1.078 1
1 257 . 15 1 1 A 27 27 ALA CB C 27 18.395 18.453 -0.058 1
1 258 . 15 1 1 A 27 27 ALA N N 27 116.245 121.034 -4.789 1
1 259 . 15 1 1 A 28 28 GLN H H 28 7.416 7.852 -0.436 1
1 260 . 15 1 1 A 28 28 GLN HA H 28 4.198 4.255 -0.057 1
1 267 . 15 1 1 A 28 28 GLN C C 28 177.124 175.865 1.259 1
1 268 . 15 1 1 A 28 28 GLN CA C 28 57.586 57.840 -0.254 1
1 269 . 15 1 1 A 28 28 GLN CB C 28 29.250 29.496 -0.246 1
1 271 . 15 1 1 A 28 28 GLN N N 28 115.857 114.709 1.148 1
1 273 . 15 1 1 A 29 29 ASN H H 29 8.006 7.641 0.365 1
1 274 . 15 1 1 A 29 29 ASN HA H 29 4.780 4.954 -0.174 1
1 279 . 15 1 1 A 29 29 ASN C C 29 172.728 174.602 -1.874 1
1 280 . 15 1 1 A 29 29 ASN CA C 29 51.028 49.430 1.598 1
1 281 . 15 1 1 A 29 29 ASN CB C 29 39.656 41.276 -1.620 1
1 282 . 15 1 1 A 29 29 ASN N N 29 114.892 115.386 -0.494 1
1 284 . 15 1 1 A 30 30 PRO HA H 30 4.218 4.564 -0.346 1
1 291 . 15 1 1 A 30 30 PRO C C 30 174.525 176.423 -1.898 1
1 292 . 15 1 1 A 30 30 PRO CA C 30 63.827 65.063 -1.236 1
1 293 . 15 1 1 A 30 30 PRO CB C 30 33.212 32.072 1.140 1
1 296 . 15 1 1 A 31 31 LEU H H 31 7.568 7.900 -0.332 1
1 297 . 15 1 1 A 31 31 LEU HA H 31 4.709 4.329 0.380 1
1 307 . 15 1 1 A 31 31 LEU C C 31 172.607 173.796 -1.189 1
1 308 . 15 1 1 A 31 31 LEU CA C 31 51.944 51.573 0.371 1
1 309 . 15 1 1 A 31 31 LEU CB C 31 42.822 42.729 0.093 1
1 313 . 15 1 1 A 31 31 LEU N N 31 120.819 117.756 3.063 1
1 314 . 15 1 1 A 32 32 PRO HA H 32 4.073 4.523 -0.450 1
1 321 . 15 1 1 A 32 32 PRO C C 32 177.293 176.871 0.422 1
1 322 . 15 1 1 A 32 32 PRO CA C 32 62.627 62.307 0.320 1
1 323 . 15 1 1 A 32 32 PRO CB C 32 31.663 32.380 -0.717 1
1 326 . 15 1 1 A 33 33 LEU H H 33 8.254 8.381 -0.127 1
1 327 . 15 1 1 A 33 33 LEU HA H 33 4.410 4.697 -0.287 1
1 337 . 15 1 1 A 33 33 LEU C C 33 178.312 178.075 0.237 1
1 338 . 15 1 1 A 33 33 LEU CA C 33 53.742 53.654 0.088 1
1 339 . 15 1 1 A 33 33 LEU CB C 33 42.620 42.472 0.148 1
1 343 . 15 1 1 A 33 33 LEU N N 33 119.030 121.833 -2.803 1
1 344 . 15 1 1 A 34 34 ASP H H 34 8.532 8.765 -0.233 1
1 345 . 15 1 1 A 34 34 ASP HA H 34 4.187 4.274 -0.087 1
1 348 . 15 1 1 A 34 34 ASP C C 34 177.731 178.714 -0.983 1
1 349 . 15 1 1 A 34 34 ASP CA C 34 58.678 57.909 0.769 1
1 350 . 15 1 1 A 34 34 ASP CB C 34 40.871 40.253 0.618 1
1 351 . 15 1 1 A 34 34 ASP N N 34 120.283 120.885 -0.602 1
1 352 . 15 1 1 A 35 35 GLU H H 35 8.841 8.233 0.608 1
1 353 . 15 1 1 A 35 35 GLU HA H 35 4.135 3.954 0.181 1
1 358 . 15 1 1 A 35 35 GLU C C 35 178.919 178.849 0.070 1
1 359 . 15 1 1 A 35 35 GLU CA C 35 59.801 59.607 0.194 1
1 360 . 15 1 1 A 35 35 GLU CB C 35 28.860 29.291 -0.431 1
1 362 . 15 1 1 A 35 35 GLU N N 35 116.076 119.544 -3.468 1
1 363 . 15 1 1 A 36 36 GLU H H 36 7.242 8.142 -0.900 1
1 364 . 15 1 1 A 36 36 GLU HA H 36 4.762 4.088 0.674 1
1 369 . 15 1 1 A 36 36 GLU C C 36 178.264 179.264 -1.000 1
1 370 . 15 1 1 A 36 36 GLU CA C 36 57.303 59.094 -1.791 1
1 371 . 15 1 1 A 36 36 GLU CB C 36 28.799 29.283 -0.484 1
1 373 . 15 1 1 A 36 36 GLU N N 36 121.997 120.350 1.647 1
1 374 . 15 1 1 A 37 37 LEU H H 37 7.778 8.362 -0.584 1
1 375 . 15 1 1 A 37 37 LEU HA H 37 3.956 4.062 -0.106 1
1 385 . 15 1 1 A 37 37 LEU C C 37 179.381 178.890 0.491 1
1 386 . 15 1 1 A 37 37 LEU CA C 37 58.608 58.046 0.562 1
1 387 . 15 1 1 A 37 37 LEU CB C 37 41.227 40.870 0.357 1
1 391 . 15 1 1 A 37 37 LEU N N 37 120.816 120.201 0.615 1
1 392 . 15 1 1 A 38 38 ASP H H 38 8.446 8.541 -0.095 1
1 393 . 15 1 1 A 38 38 ASP HA H 38 4.455 4.335 0.120 1
1 396 . 15 1 1 A 38 38 ASP C C 38 179.162 178.548 0.614 1
1 397 . 15 1 1 A 38 38 ASP CA C 38 57.550 57.658 -0.108 1
1 398 . 15 1 1 A 38 38 ASP CB C 38 40.313 42.303 -1.990 1
1 399 . 15 1 1 A 38 38 ASP N N 38 118.274 119.734 -1.460 1
1 400 . 15 1 1 A 39 39 ARG H H 39 7.964 7.503 0.461 1
1 401 . 15 1 1 A 39 39 ARG HA H 39 4.066 4.071 -0.005 1
1 409 . 15 1 1 A 39 39 ARG C C 39 179.867 178.809 1.058 1
1 410 . 15 1 1 A 39 39 ARG CA C 39 59.801 59.200 0.601 1
1 411 . 15 1 1 A 39 39 ARG CB C 39 29.849 29.682 0.167 1
1 414 . 15 1 1 A 39 39 ARG N N 39 123.855 120.273 3.582 1
1 416 . 15 1 1 A 40 40 LEU H H 40 8.686 7.895 0.791 1
1 417 . 15 1 1 A 40 40 LEU HA H 40 4.045 3.932 0.113 1
1 427 . 15 1 1 A 40 40 LEU C C 40 180.716 179.379 1.337 1
1 428 . 15 1 1 A 40 40 LEU CA C 40 57.782 57.977 -0.195 1
1 429 . 15 1 1 A 40 40 LEU CB C 40 43.153 41.653 1.500 1
1 433 . 15 1 1 A 40 40 LEU N N 40 118.936 119.893 -0.957 1
1 434 . 15 1 1 A 41 41 ARG H H 41 8.500 8.638 -0.138 1
1 435 . 15 1 1 A 41 41 ARG HA H 41 4.078 4.064 0.014 1
1 442 . 15 1 1 A 41 41 ARG C C 41 178.702 178.668 0.034 1
1 443 . 15 1 1 A 41 41 ARG CA C 41 60.336 59.349 0.987 1
1 444 . 15 1 1 A 41 41 ARG CB C 41 29.767 29.781 -0.014 1
1 447 . 15 1 1 A 41 41 ARG N N 41 125.386 119.364 6.022 1
1 448 . 15 1 1 A 42 42 SER H H 42 7.762 8.276 -0.514 1
1 449 . 15 1 1 A 42 42 SER HA H 42 4.238 4.251 -0.013 1
1 452 . 15 1 1 A 42 42 SER C C 42 176.030 175.614 0.416 1
1 453 . 15 1 1 A 42 42 SER CA C 42 61.535 61.175 0.360 1
1 454 . 15 1 1 A 42 42 SER CB C 42 62.892 63.180 -0.288 1
1 455 . 15 1 1 A 42 42 SER N N 42 114.493 117.829 -3.336 1
1 456 . 15 1 1 A 43 43 GLU H H 43 8.031 8.008 0.023 1
1 457 . 15 1 1 A 43 43 GLU HA H 43 4.220 4.309 -0.089 1
1 462 . 15 1 1 A 43 43 GLU C C 43 178.264 178.685 -0.421 1
1 463 . 15 1 1 A 43 43 GLU CA C 43 58.855 58.290 0.565 1
1 464 . 15 1 1 A 43 43 GLU CB C 43 30.959 30.534 0.425 1
1 466 . 15 1 1 A 43 43 GLU N N 43 118.451 120.634 -2.183 1
1 467 . 15 1 1 A 44 44 THR H H 44 8.387 8.400 -0.013 1
1 468 . 15 1 1 A 44 44 THR HA H 44 4.333 4.119 0.214 1
1 473 . 15 1 1 A 44 44 THR C C 44 175.787 174.986 0.801 1
1 474 . 15 1 1 A 44 44 THR CA C 44 63.333 63.729 -0.396 1
1 475 . 15 1 1 A 44 44 THR CB C 44 72.112 69.928 2.184 1
1 477 . 15 1 1 A 44 44 THR N N 44 105.689 110.835 -5.146 1
1 478 . 15 1 1 A 45 45 LYS H H 45 7.962 7.667 0.295 1
1 479 . 15 1 1 A 45 45 LYS HA H 45 4.042 4.149 -0.107 1
1 488 . 15 1 1 A 45 45 LYS C C 45 176.298 174.835 1.463 1
1 489 . 15 1 1 A 45 45 LYS CA C 45 57.934 57.368 0.566 1
1 490 . 15 1 1 A 45 45 LYS CB C 45 29.024 29.301 -0.277 1
1 494 . 15 1 1 A 45 45 LYS N N 45 115.260 116.343 -1.083 1
1 495 . 15 1 1 A 46 46 MET H H 46 7.750 7.498 0.252 1
1 496 . 15 1 1 A 46 46 MET HA H 46 4.498 4.945 -0.447 1
1 504 . 15 1 1 A 46 46 MET C C 46 176.127 175.318 0.809 1
1 505 . 15 1 1 A 46 46 MET CA C 46 55.788 54.113 1.675 1
1 506 . 15 1 1 A 46 46 MET CB C 46 36.233 36.290 -0.057 1
1 509 . 15 1 1 A 46 46 MET N N 46 119.026 116.181 2.845 1
1 510 . 15 1 1 A 47 47 THR H H 47 8.712 8.377 0.335 1
1 511 . 15 1 1 A 47 47 THR HA H 47 4.376 4.830 -0.454 1
1 516 . 15 1 1 A 47 47 THR C C 47 175.812 176.366 -0.554 1
1 517 . 15 1 1 A 47 47 THR CA C 47 61.011 59.810 1.201 1
1 518 . 15 1 1 A 47 47 THR CB C 47 70.885 71.949 -1.064 1
1 520 . 15 1 1 A 47 47 THR N N 47 109.504 111.354 -1.850 1
1 521 . 15 1 1 A 48 48 ARG H H 48 9.074 9.000 0.074 1
1 522 . 15 1 1 A 48 48 ARG HA H 48 3.910 4.017 -0.107 1
1 530 . 15 1 1 A 48 48 ARG C C 48 178.119 178.194 -0.075 1
1 531 . 15 1 1 A 48 48 ARG CA C 48 59.242 59.915 -0.673 1
1 532 . 15 1 1 A 48 48 ARG CB C 48 29.189 29.877 -0.688 1
1 535 . 15 1 1 A 48 48 ARG N N 48 120.559 121.582 -1.023 1
1 537 . 15 1 1 A 49 49 ARG H H 49 8.384 8.305 0.079 1
1 538 . 15 1 1 A 49 49 ARG HA H 49 4.237 4.083 0.154 1
1 545 . 15 1 1 A 49 49 ARG C C 49 179.478 178.488 0.990 1
1 546 . 15 1 1 A 49 49 ARG CA C 49 59.419 59.140 0.279 1
1 547 . 15 1 1 A 49 49 ARG CB C 49 30.014 29.968 0.046 1
1 550 . 15 1 1 A 49 49 ARG N N 49 117.267 118.509 -1.242 1
1 551 . 15 1 1 A 50 50 GLU H H 50 7.869 7.973 -0.104 1
1 552 . 15 1 1 A 50 50 GLU HA H 50 4.073 4.133 -0.060 1
1 557 . 15 1 1 A 50 50 GLU C C 50 180.036 179.694 0.342 1
1 558 . 15 1 1 A 50 50 GLU CA C 50 59.419 58.811 0.608 1
1 559 . 15 1 1 A 50 50 GLU CB C 50 30.672 30.057 0.615 1
1 561 . 15 1 1 A 50 50 GLU N N 50 119.568 118.977 0.591 1
1 562 . 15 1 1 A 51 51 ILE H H 51 8.451 8.466 -0.015 1
1 563 . 15 1 1 A 51 51 ILE HA H 51 3.795 3.605 0.190 1
1 573 . 15 1 1 A 51 51 ILE C C 51 177.706 177.705 0.001 1
1 574 . 15 1 1 A 51 51 ILE CA C 51 66.329 65.246 1.083 1
1 575 . 15 1 1 A 51 51 ILE CB C 51 38.715 37.527 1.188 1
1 579 . 15 1 1 A 51 51 ILE N N 51 122.516 120.758 1.758 1
1 580 . 15 1 1 A 52 52 ASP H H 52 9.078 8.795 0.283 1
1 581 . 15 1 1 A 52 52 ASP HA H 52 4.561 4.610 -0.049 1
1 584 . 15 1 1 A 52 52 ASP C C 52 180.085 178.104 1.981 1
1 585 . 15 1 1 A 52 52 ASP CA C 52 58.249 57.970 0.279 1
1 586 . 15 1 1 A 52 52 ASP CB C 52 40.908 41.233 -0.325 1
1 587 . 15 1 1 A 52 52 ASP N N 52 121.201 121.536 -0.335 1
1 588 . 15 1 1 A 53 53 SER H H 53 8.298 7.898 0.400 1
1 589 . 15 1 1 A 53 53 SER HA H 53 4.362 4.241 0.121 1
1 592 . 15 1 1 A 53 53 SER C C 53 175.934 176.974 -1.040 1
1 593 . 15 1 1 A 53 53 SER CA C 53 61.928 61.342 0.586 1
1 594 . 15 1 1 A 53 53 SER CB C 53 62.974 63.121 -0.147 1
1 595 . 15 1 1 A 53 53 SER N N 53 114.616 113.582 1.034 1
1 596 . 15 1 1 A 54 54 TRP H H 54 8.315 7.904 0.411 1
1 597 . 15 1 1 A 54 54 TRP HA H 54 3.993 4.277 -0.284 1
1 606 . 15 1 1 A 54 54 TRP C C 54 179.453 178.236 1.217 1
1 607 . 15 1 1 A 54 54 TRP CA C 54 63.191 60.921 2.270 1
1 608 . 15 1 1 A 54 54 TRP CB C 54 28.777 29.524 -0.747 1
1 614 . 15 1 1 A 54 54 TRP N N 54 123.444 123.941 -0.497 1
1 616 . 15 1 1 A 55 55 PHE H H 55 9.110 7.811 1.299 1
1 617 . 15 1 1 A 55 55 PHE HA H 55 3.880 4.309 -0.429 1
1 625 . 15 1 1 A 55 55 PHE C C 55 178.119 178.165 -0.046 1
1 626 . 15 1 1 A 55 55 PHE CA C 55 63.563 61.396 2.167 1
1 627 . 15 1 1 A 55 55 PHE CB C 55 39.721 38.851 0.870 1
1 633 . 15 1 1 A 55 55 PHE N N 55 119.065 117.827 1.238 1
1 634 . 15 1 1 A 56 56 SER H H 56 8.330 8.262 0.068 1
1 635 . 15 1 1 A 56 56 SER HA H 56 4.173 4.326 -0.153 1
1 638 . 15 1 1 A 56 56 SER C C 56 177.851 175.256 2.595 1
1 639 . 15 1 1 A 56 56 SER CA C 56 61.958 61.043 0.915 1
1 640 . 15 1 1 A 56 56 SER CB C 56 62.727 63.077 -0.350 1
1 641 . 15 1 1 A 56 56 SER N N 56 113.028 114.427 -1.399 1
1 642 . 15 1 1 A 57 57 GLU H H 57 8.070 7.676 0.394 1
1 643 . 15 1 1 A 57 57 GLU HA H 57 3.922 4.254 -0.332 1
1 648 . 15 1 1 A 57 57 GLU C C 57 178.895 178.063 0.832 1
1 649 . 15 1 1 A 57 57 GLU CA C 57 58.629 57.218 1.411 1
1 650 . 15 1 1 A 57 57 GLU CB C 57 29.107 30.163 -1.056 1
1 652 . 15 1 1 A 57 57 GLU N N 57 119.996 119.654 0.342 1
1 653 . 15 1 1 A 58 58 ARG H H 58 8.048 7.372 0.676 1
1 654 . 15 1 1 A 58 58 ARG HA H 58 3.489 3.737 -0.248 1
1 662 . 15 1 1 A 58 58 ARG C C 58 179.186 178.208 0.978 1
1 663 . 15 1 1 A 58 58 ARG CA C 58 56.770 58.255 -1.485 1
1 664 . 15 1 1 A 58 58 ARG CB C 58 28.145 29.546 -1.401 1
1 667 . 15 1 1 A 58 58 ARG N N 58 122.160 120.748 1.412 1
1 669 . 15 1 1 A 59 59 ARG H H 59 8.093 8.262 -0.169 1
1 670 . 15 1 1 A 59 59 ARG HA H 59 4.212 4.107 0.105 1
1 677 . 15 1 1 A 59 59 ARG C C 59 178.458 177.609 0.849 1
1 678 . 15 1 1 A 59 59 ARG CA C 59 60.019 58.792 1.227 1
1 679 . 15 1 1 A 59 59 ARG CB C 59 31.689 29.908 1.781 1
1 682 . 15 1 1 A 59 59 ARG N N 59 116.818 117.988 -1.170 1
1 683 . 15 1 1 A 60 60 LYS H H 60 7.418 7.896 -0.478 1
1 684 . 15 1 1 A 60 60 LYS HA H 60 4.154 4.078 0.076 1
1 693 . 15 1 1 A 60 60 LYS C C 60 177.803 178.920 -1.117 1
1 694 . 15 1 1 A 60 60 LYS CA C 60 58.327 59.145 -0.818 1
1 695 . 15 1 1 A 60 60 LYS CB C 60 32.651 32.037 0.614 1
1 699 . 15 1 1 A 60 60 LYS N N 60 117.893 118.358 -0.465 1
1 700 . 15 1 1 A 61 61 LYS H H 61 7.510 7.749 -0.239 1
1 701 . 15 1 1 A 61 61 LYS HA H 61 4.177 4.121 0.056 1
1 710 . 15 1 1 A 61 61 LYS C C 61 177.317 179.116 -1.799 1
1 711 . 15 1 1 A 61 61 LYS CA C 61 57.516 58.836 -1.320 1
1 712 . 15 1 1 A 61 61 LYS CB C 61 32.809 32.002 0.807 1
1 716 . 15 1 1 A 61 61 LYS N N 61 119.359 119.487 -0.128 1
1 717 . 15 1 1 A 62 62 VAL H H 62 7.805 7.724 0.081 1
1 718 . 15 1 1 A 62 62 VAL HA H 62 4.013 3.535 0.478 1
1 726 . 15 1 1 A 62 62 VAL C C 62 176.784 177.774 -0.990 1
1 727 . 15 1 1 A 62 62 VAL CA C 62 63.755 66.137 -2.382 1
1 728 . 15 1 1 A 62 62 VAL CB C 62 32.365 31.805 0.560 1
1 731 . 15 1 1 A 62 62 VAL N N 62 119.337 120.348 -1.011 1
1 732 . 15 1 1 A 63 63 ASN H H 63 8.282 7.762 0.520 1
1 733 . 15 1 1 A 63 63 ASN HA H 63 4.700 4.441 0.259 1
1 738 . 15 1 1 A 63 63 ASN C C 63 175.594 176.522 -0.928 1
1 739 . 15 1 1 A 63 63 ASN CA C 63 53.962 56.436 -2.474 1
1 740 . 15 1 1 A 63 63 ASN CB C 63 38.913 38.103 0.810 1
1 741 . 15 1 1 A 63 63 ASN N N 63 120.443 118.155 2.288 1
1 743 . 15 1 1 A 64 64 ALA H H 64 8.225 7.296 0.929 1
1 744 . 15 1 1 A 64 64 ALA HA H 64 4.290 4.377 -0.087 1
1 748 . 15 1 1 A 64 64 ALA C C 64 178.312 176.142 2.170 1
1 749 . 15 1 1 A 64 64 ALA CA C 64 53.319 51.438 1.881 1
1 750 . 15 1 1 A 64 64 ALA CB C 64 19.055 17.542 1.513 1
1 751 . 15 1 1 A 64 64 ALA N N 64 123.747 120.324 3.423 1
1 752 . 15 1 1 A 65 65 GLU H H 65 8.262 8.468 -0.206 1
1 753 . 15 1 1 A 65 65 GLU HA H 65 4.233 4.701 -0.468 1
1 758 . 15 1 1 A 65 65 GLU C C 65 177.244 175.489 1.755 1
1 759 . 15 1 1 A 65 65 GLU CA C 65 57.269 55.181 2.088 1
1 760 . 15 1 1 A 65 65 GLU CB C 65 30.114 31.048 -0.934 1
1 762 . 15 1 1 A 65 65 GLU N N 65 118.780 123.235 -4.455 1
1 763 . 15 1 1 A 66 66 GLU H H 66 8.327 8.942 -0.615 1
1 764 . 15 1 1 A 66 66 GLU HA H 66 4.301 3.839 0.462 1
1 769 . 15 1 1 A 66 66 GLU C C 66 177.244 175.481 1.763 1
1 770 . 15 1 1 A 66 66 GLU CA C 66 57.197 57.383 -0.186 1
1 771 . 15 1 1 A 66 66 GLU CB C 66 30.227 27.677 2.550 1
1 773 . 15 1 1 A 66 66 GLU N N 66 120.955 124.285 -3.330 1
1 774 . 15 1 1 A 67 67 THR H H 67 8.135 7.906 0.229 1
1 775 . 15 1 1 A 67 67 THR HA H 67 4.280 4.218 0.062 1
1 780 . 15 1 1 A 67 67 THR C C 67 174.816 174.961 -0.145 1
1 781 . 15 1 1 A 67 67 THR CA C 67 62.615 62.421 0.194 1
1 782 . 15 1 1 A 67 67 THR CB C 67 69.648 69.690 -0.042 1
1 784 . 15 1 1 A 67 67 THR N N 67 114.856 113.569 1.287 1
1 785 . 15 1 1 A 68 68 LYS H H 68 8.202 8.677 -0.475 1
1 786 . 15 1 1 A 68 68 LYS HA H 68 4.327 4.287 0.040 1
1 795 . 15 1 1 A 68 68 LYS C C 68 176.637 176.423 0.214 1
1 796 . 15 1 1 A 68 68 LYS CA C 68 56.599 58.049 -1.450 1
1 797 . 15 1 1 A 68 68 LYS CB C 68 32.898 33.580 -0.682 1
1 801 . 15 1 1 A 68 68 LYS N N 68 123.462 125.552 -2.090 1
1 802 . 15 1 1 A 69 69 LYS H H 69 8.300 7.525 0.775 1
1 803 . 15 1 1 A 69 69 LYS HA H 69 4.375 4.630 -0.255 1
1 812 . 15 1 1 A 69 69 LYS C C 69 176.661 175.127 1.534 1
1 813 . 15 1 1 A 69 69 LYS CA C 69 56.458 55.231 1.227 1
1 814 . 15 1 1 A 69 69 LYS CB C 69 33.145 34.068 -0.923 1
1 818 . 15 1 1 A 69 69 LYS N N 69 122.321 115.936 6.385 1
1 819 . 15 1 1 A 70 70 SER H H 70 8.330 8.605 -0.275 1
1 820 . 15 1 1 A 70 70 SER HA H 70 4.536 5.102 -0.566 1
1 823 . 15 1 1 A 70 70 SER C C 70 174.525 173.301 1.224 1
1 824 . 15 1 1 A 70 70 SER CA C 70 58.361 57.676 0.685 1
1 825 . 15 1 1 A 70 70 SER CB C 70 64.022 65.816 -1.794 1
1 826 . 15 1 1 A 70 70 SER N N 70 116.687 115.079 1.608 1
1 827 . 15 1 1 A 71 71 GLY H H 71 8.250 9.167 -0.917 1
1 828 . 15 1 1 A 71 71 GLY C C 71 171.782 172.662 -0.880 1
1 829 . 15 1 1 A 71 71 GLY CA C 71 44.717 46.014 -1.297 1
1 830 . 15 1 1 A 71 71 GLY N N 71 110.366 113.969 -3.603 1
1 831 . 15 1 1 A 72 72 PRO HA H 72 4.141 4.546 -0.405 1
1 832 . 15 1 1 A 74 74 SER HA H 74 4.526 4.714 -0.188 1
1 835 . 15 1 1 A 74 74 SER C C 74 173.918 174.801 -0.883 1
1 836 . 15 1 1 A 74 74 SER CA C 74 58.528 57.368 1.160 1
1 837 . 15 1 1 A 74 74 SER CB C 74 63.972 65.135 -1.163 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 4.146 3.987 0.159 1
1 2 . 16 1 1 A 7 7 GLY CA C 7 44.691 44.855 -0.164 1
1 3 . 16 1 1 A 8 8 PRO HA H 8 4.512 4.614 -0.102 1
1 10 . 16 1 1 A 8 8 PRO C C 8 177.365 176.074 1.291 1
1 11 . 16 1 1 A 8 8 PRO CA C 8 63.297 62.958 0.339 1
1 12 . 16 1 1 A 8 8 PRO CB C 8 32.239 31.657 0.582 1
1 15 . 16 1 1 A 9 9 THR H H 9 8.295 8.541 -0.246 1
1 16 . 16 1 1 A 9 9 THR HA H 9 4.271 4.504 -0.233 1
1 21 . 16 1 1 A 9 9 THR C C 9 174.452 173.798 0.654 1
1 22 . 16 1 1 A 9 9 THR CA C 9 62.276 61.151 1.125 1
1 23 . 16 1 1 A 9 9 THR CB C 9 69.790 68.616 1.174 1
1 25 . 16 1 1 A 9 9 THR N N 9 114.885 119.169 -4.284 1
1 26 . 16 1 1 A 10 10 LYS H H 10 8.284 8.417 -0.133 1
1 27 . 16 1 1 A 10 10 LYS HA H 10 4.281 4.212 0.069 1
1 35 . 16 1 1 A 10 10 LYS C C 10 176.103 175.096 1.007 1
1 36 . 16 1 1 A 10 10 LYS CA C 10 56.316 56.707 -0.391 1
1 37 . 16 1 1 A 10 10 LYS CB C 10 33.062 33.391 -0.329 1
1 41 . 16 1 1 A 10 10 LYS N N 10 123.812 126.273 -2.461 1
1 42 . 16 1 1 A 11 11 TYR H H 11 8.198 8.906 -0.708 1
1 43 . 16 1 1 A 11 11 TYR HA H 11 4.569 5.199 -0.630 1
1 50 . 16 1 1 A 11 11 TYR C C 11 175.496 174.574 0.922 1
1 51 . 16 1 1 A 11 11 TYR CA C 11 58.044 56.281 1.763 1
1 52 . 16 1 1 A 11 11 TYR CB C 11 38.842 42.436 -3.594 1
1 57 . 16 1 1 A 11 11 TYR N N 11 121.375 119.079 2.296 1
1 58 . 16 1 1 A 12 12 LYS H H 12 8.168 8.740 -0.572 1
1 59 . 16 1 1 A 12 12 LYS HA H 12 4.255 4.983 -0.728 1
1 68 . 16 1 1 A 12 12 LYS C C 12 175.861 175.299 0.562 1
1 69 . 16 1 1 A 12 12 LYS CA C 12 56.050 54.689 1.361 1
1 70 . 16 1 1 A 12 12 LYS CB C 12 33.145 37.151 -4.006 1
1 74 . 16 1 1 A 12 12 LYS N N 12 123.375 121.542 1.833 1
1 75 . 16 1 1 A 13 13 GLU H H 13 8.386 8.572 -0.186 1
1 76 . 16 1 1 A 13 13 GLU HA H 13 4.285 5.199 -0.914 1
1 81 . 16 1 1 A 13 13 GLU C C 13 176.419 175.291 1.128 1
1 82 . 16 1 1 A 13 13 GLU CA C 13 56.519 54.362 2.157 1
1 83 . 16 1 1 A 13 13 GLU CB C 13 30.261 33.743 -3.482 1
1 85 . 16 1 1 A 13 13 GLU N N 13 122.385 120.402 1.983 1
1 86 . 16 1 1 A 14 14 ARG H H 14 8.451 8.546 -0.095 1
1 87 . 16 1 1 A 14 14 ARG HA H 14 4.424 4.726 -0.302 1
1 94 . 16 1 1 A 14 14 ARG C C 14 175.230 176.048 -0.818 1
1 95 . 16 1 1 A 14 14 ARG CA C 14 55.188 55.265 -0.077 1
1 96 . 16 1 1 A 14 14 ARG CB C 14 31.003 31.684 -0.681 1
1 99 . 16 1 1 A 14 14 ARG N N 14 121.822 122.367 -0.545 1
1 100 . 16 1 1 A 15 15 ALA H H 15 8.444 8.085 0.359 1
1 101 . 16 1 1 A 15 15 ALA HA H 15 4.633 4.603 0.030 1
1 105 . 16 1 1 A 15 15 ALA C C 15 176.808 177.663 -0.855 1
1 106 . 16 1 1 A 15 15 ALA CA C 15 50.852 50.729 0.123 1
1 107 . 16 1 1 A 15 15 ALA CB C 15 17.938 18.435 -0.497 1
1 108 . 16 1 1 A 15 15 ALA N N 15 125.225 123.666 1.559 1
1 109 . 16 1 1 A 16 16 PRO HA H 16 4.240 4.460 -0.220 1
1 116 . 16 1 1 A 16 16 PRO C C 16 178.993 177.800 1.193 1
1 117 . 16 1 1 A 16 16 PRO CA C 16 65.731 64.413 1.318 1
1 118 . 16 1 1 A 16 16 PRO CB C 16 31.966 31.905 0.061 1
1 121 . 16 1 1 A 17 17 GLU H H 17 9.453 8.536 0.917 1
1 122 . 16 1 1 A 17 17 GLU HA H 17 4.051 4.103 -0.052 1
1 127 . 16 1 1 A 17 17 GLU C C 17 179.550 178.997 0.553 1
1 128 . 16 1 1 A 17 17 GLU CA C 17 59.568 59.577 -0.009 1
1 129 . 16 1 1 A 17 17 GLU CB C 17 28.613 29.746 -1.133 1
1 131 . 16 1 1 A 17 17 GLU N N 17 116.527 117.521 -0.994 1
1 132 . 16 1 1 A 18 18 GLN H H 18 7.529 8.002 -0.473 1
1 133 . 16 1 1 A 18 18 GLN HA H 18 4.036 3.954 0.082 1
1 140 . 16 1 1 A 18 18 GLN C C 18 176.977 178.435 -1.458 1
1 141 . 16 1 1 A 18 18 GLN CA C 18 58.785 58.824 -0.039 1
1 142 . 16 1 1 A 18 18 GLN CB C 18 28.860 28.365 0.495 1
1 144 . 16 1 1 A 18 18 GLN N N 18 119.048 119.020 0.028 1
1 146 . 16 1 1 A 19 19 LEU H H 19 7.664 7.971 -0.307 1
1 147 . 16 1 1 A 19 19 LEU HA H 19 3.755 3.692 0.063 1
1 157 . 16 1 1 A 19 19 LEU C C 19 178.410 178.712 -0.302 1
1 158 . 16 1 1 A 19 19 LEU CA C 19 57.516 57.554 -0.038 1
1 159 . 16 1 1 A 19 19 LEU CB C 19 41.276 41.570 -0.294 1
1 163 . 16 1 1 A 19 19 LEU N N 19 117.171 120.682 -3.511 1
1 164 . 16 1 1 A 20 20 ARG H H 20 8.188 8.090 0.098 1
1 165 . 16 1 1 A 20 20 ARG HA H 20 3.998 3.978 0.020 1
1 172 . 16 1 1 A 20 20 ARG C C 20 178.993 178.283 0.710 1
1 173 . 16 1 1 A 20 20 ARG CA C 20 59.333 59.440 -0.107 1
1 174 . 16 1 1 A 20 20 ARG CB C 20 30.096 30.002 0.094 1
1 177 . 16 1 1 A 20 20 ARG N N 20 117.090 118.714 -1.624 1
1 178 . 16 1 1 A 21 21 ALA H H 21 7.176 7.895 -0.719 1
1 179 . 16 1 1 A 21 21 ALA HA H 21 4.092 4.196 -0.104 1
1 183 . 16 1 1 A 21 21 ALA C C 21 180.571 179.886 0.685 1
1 184 . 16 1 1 A 21 21 ALA CA C 21 54.941 54.523 0.418 1
1 185 . 16 1 1 A 21 21 ALA CB C 21 17.858 18.827 -0.969 1
1 186 . 16 1 1 A 21 21 ALA N N 21 121.201 121.411 -0.210 1
1 187 . 16 1 1 A 22 22 LEU H H 22 7.528 7.915 -0.387 1
1 188 . 16 1 1 A 22 22 LEU HA H 22 3.576 3.647 -0.071 1
1 198 . 16 1 1 A 22 22 LEU C C 22 177.779 178.764 -0.985 1
1 199 . 16 1 1 A 22 22 LEU CA C 22 58.185 57.867 0.318 1
1 200 . 16 1 1 A 22 22 LEU CB C 22 38.666 40.890 -2.224 1
1 204 . 16 1 1 A 22 22 LEU N N 22 119.669 118.624 1.045 1
1 205 . 16 1 1 A 23 23 GLU H H 23 8.516 8.461 0.055 1
1 206 . 16 1 1 A 23 23 GLU HA H 23 4.221 4.183 0.038 1
1 211 . 16 1 1 A 23 23 GLU C C 23 180.352 178.970 1.382 1
1 212 . 16 1 1 A 23 23 GLU CA C 23 59.489 59.708 -0.219 1
1 213 . 16 1 1 A 23 23 GLU CB C 23 29.317 29.494 -0.177 1
1 215 . 16 1 1 A 23 23 GLU N N 23 117.420 117.487 -0.067 1
1 216 . 16 1 1 A 24 24 SER H H 24 8.209 8.030 0.179 1
1 217 . 16 1 1 A 24 24 SER HA H 24 4.303 4.156 0.147 1
1 220 . 16 1 1 A 24 24 SER C C 24 176.710 176.964 -0.254 1
1 221 . 16 1 1 A 24 24 SER CA C 24 61.852 61.833 0.019 1
1 222 . 16 1 1 A 24 24 SER CB C 24 62.767 63.060 -0.293 1
1 223 . 16 1 1 A 24 24 SER N N 24 114.551 115.678 -1.127 1
1 224 . 16 1 1 A 25 25 SER H H 25 7.396 7.965 -0.569 1
1 225 . 16 1 1 A 25 25 SER HA H 25 4.388 4.296 0.092 1
1 228 . 16 1 1 A 25 25 SER C C 25 177.415 177.087 0.328 1
1 229 . 16 1 1 A 25 25 SER CA C 25 61.428 61.237 0.191 1
1 230 . 16 1 1 A 25 25 SER CB C 25 63.319 63.271 0.048 1
1 231 . 16 1 1 A 25 25 SER N N 25 115.081 115.678 -0.597 1
1 232 . 16 1 1 A 26 26 PHE H H 26 9.019 8.395 0.624 1
1 233 . 16 1 1 A 26 26 PHE HA H 26 4.201 4.745 -0.544 1
1 241 . 16 1 1 A 26 26 PHE C C 26 176.419 177.942 -1.523 1
1 242 . 16 1 1 A 26 26 PHE CA C 26 62.239 62.005 0.234 1
1 243 . 16 1 1 A 26 26 PHE CB C 26 39.437 39.350 0.087 1
1 249 . 16 1 1 A 26 26 PHE N N 26 120.609 122.684 -2.075 1
1 250 . 16 1 1 A 27 27 ALA H H 27 8.045 8.235 -0.190 1
1 251 . 16 1 1 A 27 27 ALA HA H 27 4.062 3.884 0.178 1
1 255 . 16 1 1 A 27 27 ALA C C 27 179.478 179.943 -0.465 1
1 256 . 16 1 1 A 27 27 ALA CA C 27 53.940 55.416 -1.476 1
1 257 . 16 1 1 A 27 27 ALA CB C 27 18.395 18.058 0.337 1
1 258 . 16 1 1 A 27 27 ALA N N 27 116.245 121.232 -4.987 1
1 259 . 16 1 1 A 28 28 GLN H H 28 7.416 7.824 -0.408 1
1 260 . 16 1 1 A 28 28 GLN HA H 28 4.198 4.229 -0.031 1
1 267 . 16 1 1 A 28 28 GLN C C 28 177.124 175.996 1.128 1
1 268 . 16 1 1 A 28 28 GLN CA C 28 57.586 58.257 -0.671 1
1 269 . 16 1 1 A 28 28 GLN CB C 28 29.250 29.288 -0.038 1
1 271 . 16 1 1 A 28 28 GLN N N 28 115.857 115.728 0.129 1
1 273 . 16 1 1 A 29 29 ASN H H 29 8.006 7.628 0.378 1
1 274 . 16 1 1 A 29 29 ASN HA H 29 4.780 5.007 -0.227 1
1 279 . 16 1 1 A 29 29 ASN C C 29 172.728 174.769 -2.041 1
1 280 . 16 1 1 A 29 29 ASN CA C 29 51.028 49.504 1.524 1
1 281 . 16 1 1 A 29 29 ASN CB C 29 39.656 41.319 -1.663 1
1 282 . 16 1 1 A 29 29 ASN N N 29 114.892 115.128 -0.236 1
1 284 . 16 1 1 A 30 30 PRO HA H 30 4.218 4.822 -0.604 1
1 291 . 16 1 1 A 30 30 PRO C C 30 174.525 176.700 -2.175 1
1 292 . 16 1 1 A 30 30 PRO CA C 30 63.827 64.932 -1.105 1
1 293 . 16 1 1 A 30 30 PRO CB C 30 33.212 32.261 0.951 1
1 296 . 16 1 1 A 31 31 LEU H H 31 7.568 8.013 -0.445 1
1 297 . 16 1 1 A 31 31 LEU HA H 31 4.709 4.421 0.288 1
1 307 . 16 1 1 A 31 31 LEU C C 31 172.607 174.076 -1.469 1
1 308 . 16 1 1 A 31 31 LEU CA C 31 51.944 51.818 0.126 1
1 309 . 16 1 1 A 31 31 LEU CB C 31 42.822 42.625 0.197 1
1 313 . 16 1 1 A 31 31 LEU N N 31 120.819 118.399 2.420 1
1 314 . 16 1 1 A 32 32 PRO HA H 32 4.073 4.468 -0.395 1
1 321 . 16 1 1 A 32 32 PRO C C 32 177.293 177.247 0.046 1
1 322 . 16 1 1 A 32 32 PRO CA C 32 62.627 62.514 0.113 1
1 323 . 16 1 1 A 32 32 PRO CB C 32 31.663 31.649 0.014 1
1 326 . 16 1 1 A 33 33 LEU H H 33 8.254 8.298 -0.044 1
1 327 . 16 1 1 A 33 33 LEU HA H 33 4.410 4.334 0.076 1
1 337 . 16 1 1 A 33 33 LEU C C 33 178.312 177.776 0.536 1
1 338 . 16 1 1 A 33 33 LEU CA C 33 53.742 54.654 -0.912 1
1 339 . 16 1 1 A 33 33 LEU CB C 33 42.620 42.828 -0.208 1
1 343 . 16 1 1 A 33 33 LEU N N 33 119.030 123.287 -4.257 1
1 344 . 16 1 1 A 34 34 ASP H H 34 8.532 8.982 -0.450 1
1 345 . 16 1 1 A 34 34 ASP HA H 34 4.187 4.346 -0.159 1
1 348 . 16 1 1 A 34 34 ASP C C 34 177.731 178.660 -0.929 1
1 349 . 16 1 1 A 34 34 ASP CA C 34 58.678 57.010 1.668 1
1 350 . 16 1 1 A 34 34 ASP CB C 34 40.871 39.762 1.109 1
1 351 . 16 1 1 A 34 34 ASP N N 34 120.283 120.828 -0.545 1
1 352 . 16 1 1 A 35 35 GLU H H 35 8.841 8.519 0.322 1
1 353 . 16 1 1 A 35 35 GLU HA H 35 4.135 4.025 0.110 1
1 358 . 16 1 1 A 35 35 GLU C C 35 178.919 178.774 0.145 1
1 359 . 16 1 1 A 35 35 GLU CA C 35 59.801 59.555 0.246 1
1 360 . 16 1 1 A 35 35 GLU CB C 35 28.860 29.212 -0.352 1
1 362 . 16 1 1 A 35 35 GLU N N 35 116.076 118.684 -2.608 1
1 363 . 16 1 1 A 36 36 GLU H H 36 7.242 7.943 -0.701 1
1 364 . 16 1 1 A 36 36 GLU HA H 36 4.762 4.112 0.650 1
1 369 . 16 1 1 A 36 36 GLU C C 36 178.264 178.715 -0.451 1
1 370 . 16 1 1 A 36 36 GLU CA C 36 57.303 58.882 -1.579 1
1 371 . 16 1 1 A 36 36 GLU CB C 36 28.799 29.374 -0.575 1
1 373 . 16 1 1 A 36 36 GLU N N 36 121.997 119.992 2.005 1
1 374 . 16 1 1 A 37 37 LEU H H 37 7.778 7.603 0.175 1
1 375 . 16 1 1 A 37 37 LEU HA H 37 3.956 4.245 -0.289 1
1 385 . 16 1 1 A 37 37 LEU C C 37 179.381 178.607 0.774 1
1 386 . 16 1 1 A 37 37 LEU CA C 37 58.608 56.730 1.878 1
1 387 . 16 1 1 A 37 37 LEU CB C 37 41.227 41.647 -0.420 1
1 391 . 16 1 1 A 37 37 LEU N N 37 120.816 119.438 1.378 1
1 392 . 16 1 1 A 38 38 ASP H H 38 8.446 8.598 -0.152 1
1 393 . 16 1 1 A 38 38 ASP HA H 38 4.455 4.308 0.147 1
1 396 . 16 1 1 A 38 38 ASP C C 38 179.162 178.737 0.425 1
1 397 . 16 1 1 A 38 38 ASP CA C 38 57.550 57.729 -0.179 1
1 398 . 16 1 1 A 38 38 ASP CB C 38 40.313 42.017 -1.704 1
1 399 . 16 1 1 A 38 38 ASP N N 38 118.274 119.707 -1.433 1
1 400 . 16 1 1 A 39 39 ARG H H 39 7.964 8.004 -0.040 1
1 401 . 16 1 1 A 39 39 ARG HA H 39 4.066 4.069 -0.003 1
1 409 . 16 1 1 A 39 39 ARG C C 39 179.867 178.777 1.090 1
1 410 . 16 1 1 A 39 39 ARG CA C 39 59.801 59.094 0.707 1
1 411 . 16 1 1 A 39 39 ARG CB C 39 29.849 29.937 -0.088 1
1 414 . 16 1 1 A 39 39 ARG N N 39 123.855 120.275 3.580 1
1 416 . 16 1 1 A 40 40 LEU H H 40 8.686 8.259 0.427 1
1 417 . 16 1 1 A 40 40 LEU HA H 40 4.045 3.918 0.127 1
1 427 . 16 1 1 A 40 40 LEU C C 40 180.716 179.117 1.599 1
1 428 . 16 1 1 A 40 40 LEU CA C 40 57.782 57.945 -0.163 1
1 429 . 16 1 1 A 40 40 LEU CB C 40 43.153 41.566 1.587 1
1 433 . 16 1 1 A 40 40 LEU N N 40 118.936 119.936 -1.000 1
1 434 . 16 1 1 A 41 41 ARG H H 41 8.500 8.813 -0.313 1
1 435 . 16 1 1 A 41 41 ARG HA H 41 4.078 3.965 0.113 1
1 442 . 16 1 1 A 41 41 ARG C C 41 178.702 178.935 -0.233 1
1 443 . 16 1 1 A 41 41 ARG CA C 41 60.336 59.483 0.853 1
1 444 . 16 1 1 A 41 41 ARG CB C 41 29.767 29.882 -0.115 1
1 447 . 16 1 1 A 41 41 ARG N N 41 125.386 118.769 6.617 1
1 448 . 16 1 1 A 42 42 SER H H 42 7.762 8.226 -0.464 1
1 449 . 16 1 1 A 42 42 SER HA H 42 4.238 4.197 0.041 1
1 452 . 16 1 1 A 42 42 SER C C 42 176.030 176.673 -0.643 1
1 453 . 16 1 1 A 42 42 SER CA C 42 61.535 61.650 -0.115 1
1 454 . 16 1 1 A 42 42 SER CB C 42 62.892 63.142 -0.250 1
1 455 . 16 1 1 A 42 42 SER N N 42 114.493 117.507 -3.014 1
1 456 . 16 1 1 A 43 43 GLU H H 43 8.031 7.590 0.441 1
1 457 . 16 1 1 A 43 43 GLU HA H 43 4.220 4.168 0.052 1
1 462 . 16 1 1 A 43 43 GLU C C 43 178.264 179.024 -0.760 1
1 463 . 16 1 1 A 43 43 GLU CA C 43 58.855 59.070 -0.215 1
1 464 . 16 1 1 A 43 43 GLU CB C 43 30.959 30.337 0.622 1
1 466 . 16 1 1 A 43 43 GLU N N 43 118.451 122.326 -3.875 1
1 467 . 16 1 1 A 44 44 THR H H 44 8.387 8.246 0.141 1
1 468 . 16 1 1 A 44 44 THR HA H 44 4.333 4.146 0.187 1
1 473 . 16 1 1 A 44 44 THR C C 44 175.787 174.850 0.937 1
1 474 . 16 1 1 A 44 44 THR CA C 44 63.333 63.444 -0.111 1
1 475 . 16 1 1 A 44 44 THR CB C 44 72.112 69.961 2.151 1
1 477 . 16 1 1 A 44 44 THR N N 44 105.689 111.105 -5.416 1
1 478 . 16 1 1 A 45 45 LYS H H 45 7.962 7.472 0.490 1
1 479 . 16 1 1 A 45 45 LYS HA H 45 4.042 4.052 -0.010 1
1 488 . 16 1 1 A 45 45 LYS C C 45 176.298 174.939 1.359 1
1 489 . 16 1 1 A 45 45 LYS CA C 45 57.934 57.483 0.451 1
1 490 . 16 1 1 A 45 45 LYS CB C 45 29.024 29.050 -0.026 1
1 494 . 16 1 1 A 45 45 LYS N N 45 115.260 116.730 -1.470 1
1 495 . 16 1 1 A 46 46 MET H H 46 7.750 7.167 0.583 1
1 496 . 16 1 1 A 46 46 MET HA H 46 4.498 4.917 -0.419 1
1 504 . 16 1 1 A 46 46 MET C C 46 176.127 175.469 0.658 1
1 505 . 16 1 1 A 46 46 MET CA C 46 55.788 54.444 1.344 1
1 506 . 16 1 1 A 46 46 MET CB C 46 36.233 35.921 0.312 1
1 509 . 16 1 1 A 46 46 MET N N 46 119.026 117.000 2.026 1
1 510 . 16 1 1 A 47 47 THR H H 47 8.712 8.493 0.219 1
1 511 . 16 1 1 A 47 47 THR HA H 47 4.376 4.820 -0.444 1
1 516 . 16 1 1 A 47 47 THR C C 47 175.812 176.365 -0.553 1
1 517 . 16 1 1 A 47 47 THR CA C 47 61.011 59.731 1.280 1
1 518 . 16 1 1 A 47 47 THR CB C 47 70.885 71.755 -0.870 1
1 520 . 16 1 1 A 47 47 THR N N 47 109.504 111.239 -1.735 1
1 521 . 16 1 1 A 48 48 ARG H H 48 9.074 9.029 0.045 1
1 522 . 16 1 1 A 48 48 ARG HA H 48 3.910 3.987 -0.077 1
1 530 . 16 1 1 A 48 48 ARG C C 48 178.119 178.073 0.046 1
1 531 . 16 1 1 A 48 48 ARG CA C 48 59.242 59.906 -0.664 1
1 532 . 16 1 1 A 48 48 ARG CB C 48 29.189 29.898 -0.709 1
1 535 . 16 1 1 A 48 48 ARG N N 48 120.559 122.028 -1.469 1
1 537 . 16 1 1 A 49 49 ARG H H 49 8.384 8.350 0.034 1
1 538 . 16 1 1 A 49 49 ARG HA H 49 4.237 4.077 0.160 1
1 545 . 16 1 1 A 49 49 ARG C C 49 179.478 178.574 0.904 1
1 546 . 16 1 1 A 49 49 ARG CA C 49 59.419 59.230 0.189 1
1 547 . 16 1 1 A 49 49 ARG CB C 49 30.014 29.918 0.096 1
1 550 . 16 1 1 A 49 49 ARG N N 49 117.267 118.571 -1.304 1
1 551 . 16 1 1 A 50 50 GLU H H 50 7.869 8.024 -0.155 1
1 552 . 16 1 1 A 50 50 GLU HA H 50 4.073 4.136 -0.063 1
1 557 . 16 1 1 A 50 50 GLU C C 50 180.036 178.811 1.225 1
1 558 . 16 1 1 A 50 50 GLU CA C 50 59.419 59.189 0.230 1
1 559 . 16 1 1 A 50 50 GLU CB C 50 30.672 29.356 1.316 1
1 561 . 16 1 1 A 50 50 GLU N N 50 119.568 118.820 0.748 1
1 562 . 16 1 1 A 51 51 ILE H H 51 8.451 8.118 0.333 1
1 563 . 16 1 1 A 51 51 ILE HA H 51 3.795 3.800 -0.005 1
1 573 . 16 1 1 A 51 51 ILE C C 51 177.706 177.672 0.034 1
1 574 . 16 1 1 A 51 51 ILE CA C 51 66.329 64.988 1.341 1
1 575 . 16 1 1 A 51 51 ILE CB C 51 38.715 37.620 1.095 1
1 579 . 16 1 1 A 51 51 ILE N N 51 122.516 121.594 0.922 1
1 580 . 16 1 1 A 52 52 ASP H H 52 9.078 8.863 0.215 1
1 581 . 16 1 1 A 52 52 ASP HA H 52 4.561 4.448 0.113 1
1 584 . 16 1 1 A 52 52 ASP C C 52 180.085 178.497 1.588 1
1 585 . 16 1 1 A 52 52 ASP CA C 52 58.249 57.511 0.738 1
1 586 . 16 1 1 A 52 52 ASP CB C 52 40.908 41.449 -0.541 1
1 587 . 16 1 1 A 52 52 ASP N N 52 121.201 121.371 -0.170 1
1 588 . 16 1 1 A 53 53 SER H H 53 8.298 7.718 0.580 1
1 589 . 16 1 1 A 53 53 SER HA H 53 4.362 4.268 0.094 1
1 592 . 16 1 1 A 53 53 SER C C 53 175.934 176.997 -1.063 1
1 593 . 16 1 1 A 53 53 SER CA C 53 61.928 61.245 0.683 1
1 594 . 16 1 1 A 53 53 SER CB C 53 62.974 62.692 0.282 1
1 595 . 16 1 1 A 53 53 SER N N 53 114.616 113.883 0.733 1
1 596 . 16 1 1 A 54 54 TRP H H 54 8.315 8.172 0.143 1
1 597 . 16 1 1 A 54 54 TRP HA H 54 3.993 4.238 -0.245 1
1 606 . 16 1 1 A 54 54 TRP C C 54 179.453 177.795 1.658 1
1 607 . 16 1 1 A 54 54 TRP CA C 54 63.191 61.316 1.875 1
1 608 . 16 1 1 A 54 54 TRP CB C 54 28.777 30.172 -1.395 1
1 614 . 16 1 1 A 54 54 TRP N N 54 123.444 124.153 -0.709 1
1 616 . 16 1 1 A 55 55 PHE H H 55 9.110 8.307 0.803 1
1 617 . 16 1 1 A 55 55 PHE HA H 55 3.880 4.143 -0.263 1
1 625 . 16 1 1 A 55 55 PHE C C 55 178.119 178.302 -0.183 1
1 626 . 16 1 1 A 55 55 PHE CA C 55 63.563 61.331 2.232 1
1 627 . 16 1 1 A 55 55 PHE CB C 55 39.721 39.154 0.567 1
1 633 . 16 1 1 A 55 55 PHE N N 55 119.065 118.556 0.509 1
1 634 . 16 1 1 A 56 56 SER H H 56 8.330 8.033 0.297 1
1 635 . 16 1 1 A 56 56 SER HA H 56 4.173 4.181 -0.008 1
1 638 . 16 1 1 A 56 56 SER C C 56 177.851 175.674 2.177 1
1 639 . 16 1 1 A 56 56 SER CA C 56 61.958 61.237 0.721 1
1 640 . 16 1 1 A 56 56 SER CB C 56 62.727 62.782 -0.055 1
1 641 . 16 1 1 A 56 56 SER N N 56 113.028 114.546 -1.518 1
1 642 . 16 1 1 A 57 57 GLU H H 57 8.070 8.057 0.013 1
1 643 . 16 1 1 A 57 57 GLU HA H 57 3.922 4.209 -0.287 1
1 648 . 16 1 1 A 57 57 GLU C C 57 178.895 178.361 0.534 1
1 649 . 16 1 1 A 57 57 GLU CA C 57 58.629 57.312 1.317 1
1 650 . 16 1 1 A 57 57 GLU CB C 57 29.107 29.963 -0.856 1
1 652 . 16 1 1 A 57 57 GLU N N 57 119.996 119.792 0.204 1
1 653 . 16 1 1 A 58 58 ARG H H 58 8.048 7.708 0.340 1
1 654 . 16 1 1 A 58 58 ARG HA H 58 3.489 3.577 -0.088 1
1 662 . 16 1 1 A 58 58 ARG C C 58 179.186 178.347 0.839 1
1 663 . 16 1 1 A 58 58 ARG CA C 58 56.770 58.553 -1.783 1
1 664 . 16 1 1 A 58 58 ARG CB C 58 28.145 29.017 -0.872 1
1 667 . 16 1 1 A 58 58 ARG N N 58 122.160 120.765 1.395 1
1 669 . 16 1 1 A 59 59 ARG H H 59 8.093 8.036 0.057 1
1 670 . 16 1 1 A 59 59 ARG HA H 59 4.212 4.205 0.007 1
1 677 . 16 1 1 A 59 59 ARG C C 59 178.458 177.448 1.010 1
1 678 . 16 1 1 A 59 59 ARG CA C 59 60.019 58.784 1.235 1
1 679 . 16 1 1 A 59 59 ARG CB C 59 31.689 29.753 1.936 1
1 682 . 16 1 1 A 59 59 ARG N N 59 116.818 118.045 -1.227 1
1 683 . 16 1 1 A 60 60 LYS H H 60 7.418 7.917 -0.499 1
1 684 . 16 1 1 A 60 60 LYS HA H 60 4.154 4.092 0.062 1
1 693 . 16 1 1 A 60 60 LYS C C 60 177.803 178.988 -1.185 1
1 694 . 16 1 1 A 60 60 LYS CA C 60 58.327 59.029 -0.702 1
1 695 . 16 1 1 A 60 60 LYS CB C 60 32.651 32.306 0.345 1
1 699 . 16 1 1 A 60 60 LYS N N 60 117.893 118.754 -0.861 1
1 700 . 16 1 1 A 61 61 LYS H H 61 7.510 7.668 -0.158 1
1 701 . 16 1 1 A 61 61 LYS HA H 61 4.177 3.977 0.200 1
1 710 . 16 1 1 A 61 61 LYS C C 61 177.317 179.319 -2.002 1
1 711 . 16 1 1 A 61 61 LYS CA C 61 57.516 59.429 -1.913 1
1 712 . 16 1 1 A 61 61 LYS CB C 61 32.809 32.456 0.353 1
1 716 . 16 1 1 A 61 61 LYS N N 61 119.359 119.663 -0.304 1
1 717 . 16 1 1 A 62 62 VAL H H 62 7.805 7.898 -0.093 1
1 718 . 16 1 1 A 62 62 VAL HA H 62 4.013 3.532 0.481 1
1 726 . 16 1 1 A 62 62 VAL C C 62 176.784 178.227 -1.443 1
1 727 . 16 1 1 A 62 62 VAL CA C 62 63.755 66.302 -2.547 1
1 728 . 16 1 1 A 62 62 VAL CB C 62 32.365 31.331 1.034 1
1 731 . 16 1 1 A 62 62 VAL N N 62 119.337 120.149 -0.812 1
1 732 . 16 1 1 A 63 63 ASN H H 63 8.282 8.280 0.002 1
1 733 . 16 1 1 A 63 63 ASN HA H 63 4.700 4.462 0.238 1
1 738 . 16 1 1 A 63 63 ASN C C 63 175.594 176.737 -1.143 1
1 739 . 16 1 1 A 63 63 ASN CA C 63 53.962 56.100 -2.138 1
1 740 . 16 1 1 A 63 63 ASN CB C 63 38.913 38.700 0.213 1
1 741 . 16 1 1 A 63 63 ASN N N 63 120.443 118.645 1.798 1
1 743 . 16 1 1 A 64 64 ALA H H 64 8.225 7.556 0.669 1
1 744 . 16 1 1 A 64 64 ALA HA H 64 4.290 4.436 -0.146 1
1 748 . 16 1 1 A 64 64 ALA C C 64 178.312 176.479 1.833 1
1 749 . 16 1 1 A 64 64 ALA CA C 64 53.319 51.241 2.078 1
1 750 . 16 1 1 A 64 64 ALA CB C 64 19.055 18.646 0.409 1
1 751 . 16 1 1 A 64 64 ALA N N 64 123.747 118.158 5.589 1
1 752 . 16 1 1 A 65 65 GLU H H 65 8.262 7.408 0.854 1
1 753 . 16 1 1 A 65 65 GLU HA H 65 4.233 4.391 -0.158 1
1 758 . 16 1 1 A 65 65 GLU C C 65 177.244 176.117 1.127 1
1 759 . 16 1 1 A 65 65 GLU CA C 65 57.269 55.691 1.578 1
1 760 . 16 1 1 A 65 65 GLU CB C 65 30.114 30.477 -0.363 1
1 762 . 16 1 1 A 65 65 GLU N N 65 118.780 116.947 1.833 1
1 763 . 16 1 1 A 66 66 GLU H H 66 8.327 8.499 -0.172 1
1 764 . 16 1 1 A 66 66 GLU HA H 66 4.301 4.353 -0.052 1
1 769 . 16 1 1 A 66 66 GLU C C 66 177.244 176.126 1.118 1
1 770 . 16 1 1 A 66 66 GLU CA C 66 57.197 56.743 0.454 1
1 771 . 16 1 1 A 66 66 GLU CB C 66 30.227 30.814 -0.587 1
1 773 . 16 1 1 A 66 66 GLU N N 66 120.955 120.283 0.672 1
1 774 . 16 1 1 A 67 67 THR H H 67 8.135 8.534 -0.399 1
1 775 . 16 1 1 A 67 67 THR HA H 67 4.280 4.398 -0.118 1
1 780 . 16 1 1 A 67 67 THR C C 67 174.816 174.086 0.730 1
1 781 . 16 1 1 A 67 67 THR CA C 67 62.615 61.667 0.948 1
1 782 . 16 1 1 A 67 67 THR CB C 67 69.648 70.668 -1.020 1
1 784 . 16 1 1 A 67 67 THR N N 67 114.856 114.599 0.257 1
1 785 . 16 1 1 A 68 68 LYS H H 68 8.202 8.572 -0.370 1
1 786 . 16 1 1 A 68 68 LYS HA H 68 4.327 4.349 -0.022 1
1 795 . 16 1 1 A 68 68 LYS C C 68 176.637 176.979 -0.342 1
1 796 . 16 1 1 A 68 68 LYS CA C 68 56.599 56.143 0.456 1
1 797 . 16 1 1 A 68 68 LYS CB C 68 32.898 33.545 -0.647 1
1 801 . 16 1 1 A 68 68 LYS N N 68 123.462 121.527 1.935 1
1 802 . 16 1 1 A 69 69 LYS H H 69 8.300 8.528 -0.228 1
1 803 . 16 1 1 A 69 69 LYS HA H 69 4.375 4.468 -0.093 1
1 812 . 16 1 1 A 69 69 LYS C C 69 176.661 176.441 0.220 1
1 813 . 16 1 1 A 69 69 LYS CA C 69 56.458 55.392 1.066 1
1 814 . 16 1 1 A 69 69 LYS CB C 69 33.145 33.364 -0.219 1
1 818 . 16 1 1 A 69 69 LYS N N 69 122.321 121.312 1.009 1
1 819 . 16 1 1 A 70 70 SER H H 70 8.330 8.706 -0.376 1
1 820 . 16 1 1 A 70 70 SER HA H 70 4.536 3.981 0.555 1
1 823 . 16 1 1 A 70 70 SER C C 70 174.525 173.478 1.047 1
1 824 . 16 1 1 A 70 70 SER CA C 70 58.361 59.119 -0.758 1
1 825 . 16 1 1 A 70 70 SER CB C 70 64.022 61.690 2.332 1
1 826 . 16 1 1 A 70 70 SER N N 70 116.687 112.524 4.163 1
1 827 . 16 1 1 A 71 71 GLY H H 71 8.250 7.748 0.502 1
1 828 . 16 1 1 A 71 71 GLY C C 71 171.782 171.316 0.466 1
1 829 . 16 1 1 A 71 71 GLY CA C 71 44.717 45.411 -0.694 1
1 830 . 16 1 1 A 71 71 GLY N N 71 110.366 106.690 3.676 1
1 831 . 16 1 1 A 72 72 PRO HA H 72 4.141 4.797 -0.656 1
1 832 . 16 1 1 A 74 74 SER HA H 74 4.526 4.322 0.204 1
1 835 . 16 1 1 A 74 74 SER C C 74 173.918 174.805 -0.887 1
1 836 . 16 1 1 A 74 74 SER CA C 74 58.528 59.496 -0.968 1
1 837 . 16 1 1 A 74 74 SER CB C 74 63.972 63.178 0.794 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 4.146 4.267 -0.121 1
1 2 . 17 1 1 A 7 7 GLY CA C 7 44.691 45.830 -1.139 1
1 3 . 17 1 1 A 8 8 PRO HA H 8 4.512 4.557 -0.045 1
1 10 . 17 1 1 A 8 8 PRO C C 8 177.365 177.511 -0.146 1
1 11 . 17 1 1 A 8 8 PRO CA C 8 63.297 62.337 0.960 1
1 12 . 17 1 1 A 8 8 PRO CB C 8 32.239 32.978 -0.739 1
1 15 . 17 1 1 A 9 9 THR H H 9 8.295 8.445 -0.150 1
1 16 . 17 1 1 A 9 9 THR HA H 9 4.271 4.100 0.171 1
1 21 . 17 1 1 A 9 9 THR C C 9 174.452 173.745 0.707 1
1 22 . 17 1 1 A 9 9 THR CA C 9 62.276 64.636 -2.360 1
1 23 . 17 1 1 A 9 9 THR CB C 9 69.790 69.060 0.730 1
1 25 . 17 1 1 A 9 9 THR N N 9 114.885 114.232 0.653 1
1 26 . 17 1 1 A 10 10 LYS H H 10 8.284 7.418 0.866 1
1 27 . 17 1 1 A 10 10 LYS HA H 10 4.281 4.406 -0.125 1
1 35 . 17 1 1 A 10 10 LYS C C 10 176.103 173.280 2.823 1
1 36 . 17 1 1 A 10 10 LYS CA C 10 56.316 55.530 0.786 1
1 37 . 17 1 1 A 10 10 LYS CB C 10 33.062 36.044 -2.982 1
1 41 . 17 1 1 A 10 10 LYS N N 10 123.812 119.732 4.080 1
1 42 . 17 1 1 A 11 11 TYR H H 11 8.198 8.690 -0.492 1
1 43 . 17 1 1 A 11 11 TYR HA H 11 4.569 4.798 -0.229 1
1 50 . 17 1 1 A 11 11 TYR C C 11 175.496 175.848 -0.352 1
1 51 . 17 1 1 A 11 11 TYR CA C 11 58.044 56.389 1.655 1
1 52 . 17 1 1 A 11 11 TYR CB C 11 38.842 36.886 1.956 1
1 57 . 17 1 1 A 11 11 TYR N N 11 121.375 121.424 -0.049 1
1 58 . 17 1 1 A 12 12 LYS H H 12 8.168 7.900 0.268 1
1 59 . 17 1 1 A 12 12 LYS HA H 12 4.255 4.479 -0.224 1
1 68 . 17 1 1 A 12 12 LYS C C 12 175.861 174.989 0.872 1
1 69 . 17 1 1 A 12 12 LYS CA C 12 56.050 55.324 0.726 1
1 70 . 17 1 1 A 12 12 LYS CB C 12 33.145 31.350 1.795 1
1 74 . 17 1 1 A 12 12 LYS N N 12 123.375 121.058 2.317 1
1 75 . 17 1 1 A 13 13 GLU H H 13 8.386 7.780 0.606 1
1 76 . 17 1 1 A 13 13 GLU HA H 13 4.285 4.904 -0.619 1
1 81 . 17 1 1 A 13 13 GLU C C 13 176.419 175.434 0.985 1
1 82 . 17 1 1 A 13 13 GLU CA C 13 56.519 54.764 1.755 1
1 83 . 17 1 1 A 13 13 GLU CB C 13 30.261 33.330 -3.069 1
1 85 . 17 1 1 A 13 13 GLU N N 13 122.385 118.306 4.079 1
1 86 . 17 1 1 A 14 14 ARG H H 14 8.451 8.409 0.042 1
1 87 . 17 1 1 A 14 14 ARG HA H 14 4.424 4.362 0.062 1
1 94 . 17 1 1 A 14 14 ARG C C 14 175.230 176.194 -0.964 1
1 95 . 17 1 1 A 14 14 ARG CA C 14 55.188 56.700 -1.512 1
1 96 . 17 1 1 A 14 14 ARG CB C 14 31.003 31.032 -0.029 1
1 99 . 17 1 1 A 14 14 ARG N N 14 121.822 121.744 0.078 1
1 100 . 17 1 1 A 15 15 ALA H H 15 8.444 8.527 -0.083 1
1 101 . 17 1 1 A 15 15 ALA HA H 15 4.633 4.648 -0.015 1
1 105 . 17 1 1 A 15 15 ALA C C 15 176.808 177.718 -0.910 1
1 106 . 17 1 1 A 15 15 ALA CA C 15 50.852 50.774 0.078 1
1 107 . 17 1 1 A 15 15 ALA CB C 15 17.938 18.702 -0.764 1
1 108 . 17 1 1 A 15 15 ALA N N 15 125.225 123.428 1.797 1
1 109 . 17 1 1 A 16 16 PRO HA H 16 4.240 4.346 -0.106 1
1 116 . 17 1 1 A 16 16 PRO C C 16 178.993 178.991 0.002 1
1 117 . 17 1 1 A 16 16 PRO CA C 16 65.731 65.125 0.606 1
1 118 . 17 1 1 A 16 16 PRO CB C 16 31.966 32.044 -0.078 1
1 121 . 17 1 1 A 17 17 GLU H H 17 9.453 8.377 1.076 1
1 122 . 17 1 1 A 17 17 GLU HA H 17 4.051 4.046 0.005 1
1 127 . 17 1 1 A 17 17 GLU C C 17 179.550 179.790 -0.240 1
1 128 . 17 1 1 A 17 17 GLU CA C 17 59.568 60.231 -0.663 1
1 129 . 17 1 1 A 17 17 GLU CB C 17 28.613 29.039 -0.426 1
1 131 . 17 1 1 A 17 17 GLU N N 17 116.527 117.804 -1.277 1
1 132 . 17 1 1 A 18 18 GLN H H 18 7.529 7.960 -0.431 1
1 133 . 17 1 1 A 18 18 GLN HA H 18 4.036 3.907 0.129 1
1 140 . 17 1 1 A 18 18 GLN C C 18 176.977 178.554 -1.577 1
1 141 . 17 1 1 A 18 18 GLN CA C 18 58.785 58.951 -0.166 1
1 142 . 17 1 1 A 18 18 GLN CB C 18 28.860 28.285 0.575 1
1 144 . 17 1 1 A 18 18 GLN N N 18 119.048 119.069 -0.021 1
1 146 . 17 1 1 A 19 19 LEU H H 19 7.664 8.088 -0.424 1
1 147 . 17 1 1 A 19 19 LEU HA H 19 3.755 3.670 0.085 1
1 157 . 17 1 1 A 19 19 LEU C C 19 178.410 178.621 -0.211 1
1 158 . 17 1 1 A 19 19 LEU CA C 19 57.516 57.707 -0.191 1
1 159 . 17 1 1 A 19 19 LEU CB C 19 41.276 41.290 -0.014 1
1 163 . 17 1 1 A 19 19 LEU N N 19 117.171 120.568 -3.397 1
1 164 . 17 1 1 A 20 20 ARG H H 20 8.188 7.894 0.294 1
1 165 . 17 1 1 A 20 20 ARG HA H 20 3.998 3.956 0.042 1
1 172 . 17 1 1 A 20 20 ARG C C 20 178.993 178.122 0.871 1
1 173 . 17 1 1 A 20 20 ARG CA C 20 59.333 59.606 -0.273 1
1 174 . 17 1 1 A 20 20 ARG CB C 20 30.096 30.039 0.057 1
1 177 . 17 1 1 A 20 20 ARG N N 20 117.090 119.496 -2.406 1
1 178 . 17 1 1 A 21 21 ALA H H 21 7.176 7.782 -0.606 1
1 179 . 17 1 1 A 21 21 ALA HA H 21 4.092 4.051 0.041 1
1 183 . 17 1 1 A 21 21 ALA C C 21 180.571 179.921 0.650 1
1 184 . 17 1 1 A 21 21 ALA CA C 21 54.941 54.792 0.149 1
1 185 . 17 1 1 A 21 21 ALA CB C 21 17.858 18.289 -0.431 1
1 186 . 17 1 1 A 21 21 ALA N N 21 121.201 121.462 -0.261 1
1 187 . 17 1 1 A 22 22 LEU H H 22 7.528 7.794 -0.266 1
1 188 . 17 1 1 A 22 22 LEU HA H 22 3.576 3.719 -0.143 1
1 198 . 17 1 1 A 22 22 LEU C C 22 177.779 178.556 -0.777 1
1 199 . 17 1 1 A 22 22 LEU CA C 22 58.185 57.900 0.285 1
1 200 . 17 1 1 A 22 22 LEU CB C 22 38.666 40.852 -2.186 1
1 204 . 17 1 1 A 22 22 LEU N N 22 119.669 118.634 1.035 1
1 205 . 17 1 1 A 23 23 GLU H H 23 8.516 8.360 0.156 1
1 206 . 17 1 1 A 23 23 GLU HA H 23 4.221 4.164 0.057 1
1 211 . 17 1 1 A 23 23 GLU C C 23 180.352 179.100 1.252 1
1 212 . 17 1 1 A 23 23 GLU CA C 23 59.489 60.086 -0.597 1
1 213 . 17 1 1 A 23 23 GLU CB C 23 29.317 29.451 -0.134 1
1 215 . 17 1 1 A 23 23 GLU N N 23 117.420 117.608 -0.188 1
1 216 . 17 1 1 A 24 24 SER H H 24 8.209 8.242 -0.033 1
1 217 . 17 1 1 A 24 24 SER HA H 24 4.303 4.217 0.086 1
1 220 . 17 1 1 A 24 24 SER C C 24 176.710 176.284 0.426 1
1 221 . 17 1 1 A 24 24 SER CA C 24 61.852 61.981 -0.129 1
1 222 . 17 1 1 A 24 24 SER CB C 24 62.767 62.907 -0.140 1
1 223 . 17 1 1 A 24 24 SER N N 24 114.551 116.968 -2.417 1
1 224 . 17 1 1 A 25 25 SER H H 25 7.396 8.063 -0.667 1
1 225 . 17 1 1 A 25 25 SER HA H 25 4.388 4.280 0.108 1
1 228 . 17 1 1 A 25 25 SER C C 25 177.415 176.910 0.505 1
1 229 . 17 1 1 A 25 25 SER CA C 25 61.428 61.291 0.137 1
1 230 . 17 1 1 A 25 25 SER CB C 25 63.319 62.915 0.404 1
1 231 . 17 1 1 A 25 25 SER N N 25 115.081 116.594 -1.513 1
1 232 . 17 1 1 A 26 26 PHE H H 26 9.019 8.954 0.065 1
1 233 . 17 1 1 A 26 26 PHE HA H 26 4.201 4.553 -0.352 1
1 241 . 17 1 1 A 26 26 PHE C C 26 176.419 176.982 -0.563 1
1 242 . 17 1 1 A 26 26 PHE CA C 26 62.239 62.244 -0.005 1
1 243 . 17 1 1 A 26 26 PHE CB C 26 39.437 39.395 0.042 1
1 249 . 17 1 1 A 26 26 PHE N N 26 120.609 123.128 -2.519 1
1 250 . 17 1 1 A 27 27 ALA H H 27 8.045 8.138 -0.093 1
1 251 . 17 1 1 A 27 27 ALA HA H 27 4.062 3.991 0.071 1
1 255 . 17 1 1 A 27 27 ALA C C 27 179.478 179.821 -0.343 1
1 256 . 17 1 1 A 27 27 ALA CA C 27 53.940 55.218 -1.278 1
1 257 . 17 1 1 A 27 27 ALA CB C 27 18.395 18.465 -0.070 1
1 258 . 17 1 1 A 27 27 ALA N N 27 116.245 121.039 -4.794 1
1 259 . 17 1 1 A 28 28 GLN H H 28 7.416 7.700 -0.284 1
1 260 . 17 1 1 A 28 28 GLN HA H 28 4.198 4.195 0.003 1
1 267 . 17 1 1 A 28 28 GLN C C 28 177.124 176.128 0.996 1
1 268 . 17 1 1 A 28 28 GLN CA C 28 57.586 58.730 -1.144 1
1 269 . 17 1 1 A 28 28 GLN CB C 28 29.250 29.159 0.091 1
1 271 . 17 1 1 A 28 28 GLN N N 28 115.857 116.583 -0.726 1
1 273 . 17 1 1 A 29 29 ASN H H 29 8.006 7.611 0.395 1
1 274 . 17 1 1 A 29 29 ASN HA H 29 4.780 5.014 -0.234 1
1 279 . 17 1 1 A 29 29 ASN C C 29 172.728 174.850 -2.122 1
1 280 . 17 1 1 A 29 29 ASN CA C 29 51.028 50.751 0.277 1
1 281 . 17 1 1 A 29 29 ASN CB C 29 39.656 41.096 -1.440 1
1 282 . 17 1 1 A 29 29 ASN N N 29 114.892 114.571 0.321 1
1 284 . 17 1 1 A 30 30 PRO HA H 30 4.218 4.850 -0.632 1
1 291 . 17 1 1 A 30 30 PRO C C 30 174.525 176.582 -2.057 1
1 292 . 17 1 1 A 30 30 PRO CA C 30 63.827 64.389 -0.562 1
1 293 . 17 1 1 A 30 30 PRO CB C 30 33.212 32.383 0.829 1
1 296 . 17 1 1 A 31 31 LEU H H 31 7.568 7.774 -0.206 1
1 297 . 17 1 1 A 31 31 LEU HA H 31 4.709 4.437 0.272 1
1 307 . 17 1 1 A 31 31 LEU C C 31 172.607 173.953 -1.346 1
1 308 . 17 1 1 A 31 31 LEU CA C 31 51.944 51.742 0.202 1
1 309 . 17 1 1 A 31 31 LEU CB C 31 42.822 42.963 -0.141 1
1 313 . 17 1 1 A 31 31 LEU N N 31 120.819 118.666 2.153 1
1 314 . 17 1 1 A 32 32 PRO HA H 32 4.073 4.464 -0.391 1
1 321 . 17 1 1 A 32 32 PRO C C 32 177.293 177.181 0.112 1
1 322 . 17 1 1 A 32 32 PRO CA C 32 62.627 62.751 -0.124 1
1 323 . 17 1 1 A 32 32 PRO CB C 32 31.663 32.149 -0.486 1
1 326 . 17 1 1 A 33 33 LEU H H 33 8.254 8.360 -0.106 1
1 327 . 17 1 1 A 33 33 LEU HA H 33 4.410 4.338 0.072 1
1 337 . 17 1 1 A 33 33 LEU C C 33 178.312 177.925 0.387 1
1 338 . 17 1 1 A 33 33 LEU CA C 33 53.742 54.973 -1.231 1
1 339 . 17 1 1 A 33 33 LEU CB C 33 42.620 42.927 -0.307 1
1 343 . 17 1 1 A 33 33 LEU N N 33 119.030 122.977 -3.947 1
1 344 . 17 1 1 A 34 34 ASP H H 34 8.532 8.923 -0.391 1
1 345 . 17 1 1 A 34 34 ASP HA H 34 4.187 4.208 -0.021 1
1 348 . 17 1 1 A 34 34 ASP C C 34 177.731 177.930 -0.199 1
1 349 . 17 1 1 A 34 34 ASP CA C 34 58.678 58.208 0.470 1
1 350 . 17 1 1 A 34 34 ASP CB C 34 40.871 41.160 -0.289 1
1 351 . 17 1 1 A 34 34 ASP N N 34 120.283 123.694 -3.411 1
1 352 . 17 1 1 A 35 35 GLU H H 35 8.841 8.226 0.615 1
1 353 . 17 1 1 A 35 35 GLU HA H 35 4.135 4.011 0.124 1
1 358 . 17 1 1 A 35 35 GLU C C 35 178.919 178.831 0.088 1
1 359 . 17 1 1 A 35 35 GLU CA C 35 59.801 59.579 0.222 1
1 360 . 17 1 1 A 35 35 GLU CB C 35 28.860 29.375 -0.515 1
1 362 . 17 1 1 A 35 35 GLU N N 35 116.076 117.991 -1.915 1
1 363 . 17 1 1 A 36 36 GLU H H 36 7.242 8.113 -0.871 1
1 364 . 17 1 1 A 36 36 GLU HA H 36 4.762 4.065 0.697 1
1 369 . 17 1 1 A 36 36 GLU C C 36 178.264 179.403 -1.139 1
1 370 . 17 1 1 A 36 36 GLU CA C 36 57.303 59.096 -1.793 1
1 371 . 17 1 1 A 36 36 GLU CB C 36 28.799 29.254 -0.455 1
1 373 . 17 1 1 A 36 36 GLU N N 36 121.997 120.520 1.477 1
1 374 . 17 1 1 A 37 37 LEU H H 37 7.778 8.377 -0.599 1
1 375 . 17 1 1 A 37 37 LEU HA H 37 3.956 4.016 -0.060 1
1 385 . 17 1 1 A 37 37 LEU C C 37 179.381 178.484 0.897 1
1 386 . 17 1 1 A 37 37 LEU CA C 37 58.608 58.081 0.527 1
1 387 . 17 1 1 A 37 37 LEU CB C 37 41.227 41.171 0.056 1
1 391 . 17 1 1 A 37 37 LEU N N 37 120.816 120.420 0.396 1
1 392 . 17 1 1 A 38 38 ASP H H 38 8.446 8.545 -0.099 1
1 393 . 17 1 1 A 38 38 ASP HA H 38 4.455 4.314 0.141 1
1 396 . 17 1 1 A 38 38 ASP C C 38 179.162 178.528 0.634 1
1 397 . 17 1 1 A 38 38 ASP CA C 38 57.550 57.768 -0.218 1
1 398 . 17 1 1 A 38 38 ASP CB C 38 40.313 42.216 -1.903 1
1 399 . 17 1 1 A 38 38 ASP N N 38 118.274 119.653 -1.379 1
1 400 . 17 1 1 A 39 39 ARG H H 39 7.964 7.661 0.303 1
1 401 . 17 1 1 A 39 39 ARG HA H 39 4.066 4.096 -0.030 1
1 409 . 17 1 1 A 39 39 ARG C C 39 179.867 178.668 1.199 1
1 410 . 17 1 1 A 39 39 ARG CA C 39 59.801 59.178 0.623 1
1 411 . 17 1 1 A 39 39 ARG CB C 39 29.849 30.361 -0.512 1
1 414 . 17 1 1 A 39 39 ARG N N 39 123.855 119.189 4.666 1
1 416 . 17 1 1 A 40 40 LEU H H 40 8.686 8.158 0.528 1
1 417 . 17 1 1 A 40 40 LEU HA H 40 4.045 3.925 0.120 1
1 427 . 17 1 1 A 40 40 LEU C C 40 180.716 179.274 1.442 1
1 428 . 17 1 1 A 40 40 LEU CA C 40 57.782 57.983 -0.201 1
1 429 . 17 1 1 A 40 40 LEU CB C 40 43.153 41.526 1.627 1
1 433 . 17 1 1 A 40 40 LEU N N 40 118.936 120.205 -1.269 1
1 434 . 17 1 1 A 41 41 ARG H H 41 8.500 8.525 -0.025 1
1 435 . 17 1 1 A 41 41 ARG HA H 41 4.078 4.038 0.040 1
1 442 . 17 1 1 A 41 41 ARG C C 41 178.702 178.511 0.191 1
1 443 . 17 1 1 A 41 41 ARG CA C 41 60.336 59.594 0.742 1
1 444 . 17 1 1 A 41 41 ARG CB C 41 29.767 29.850 -0.083 1
1 447 . 17 1 1 A 41 41 ARG N N 41 125.386 119.043 6.343 1
1 448 . 17 1 1 A 42 42 SER H H 42 7.762 7.925 -0.163 1
1 449 . 17 1 1 A 42 42 SER HA H 42 4.238 4.225 0.013 1
1 452 . 17 1 1 A 42 42 SER C C 42 176.030 176.790 -0.760 1
1 453 . 17 1 1 A 42 42 SER CA C 42 61.535 61.329 0.206 1
1 454 . 17 1 1 A 42 42 SER CB C 42 62.892 62.996 -0.104 1
1 455 . 17 1 1 A 42 42 SER N N 42 114.493 115.432 -0.939 1
1 456 . 17 1 1 A 43 43 GLU H H 43 8.031 7.730 0.301 1
1 457 . 17 1 1 A 43 43 GLU HA H 43 4.220 4.157 0.063 1
1 462 . 17 1 1 A 43 43 GLU C C 43 178.264 178.868 -0.604 1
1 463 . 17 1 1 A 43 43 GLU CA C 43 58.855 59.006 -0.151 1
1 464 . 17 1 1 A 43 43 GLU CB C 43 30.959 30.202 0.757 1
1 466 . 17 1 1 A 43 43 GLU N N 43 118.451 121.320 -2.869 1
1 467 . 17 1 1 A 44 44 THR H H 44 8.387 8.108 0.279 1
1 468 . 17 1 1 A 44 44 THR HA H 44 4.333 4.162 0.171 1
1 473 . 17 1 1 A 44 44 THR C C 44 175.787 174.776 1.011 1
1 474 . 17 1 1 A 44 44 THR CA C 44 63.333 63.429 -0.096 1
1 475 . 17 1 1 A 44 44 THR CB C 44 72.112 69.939 2.173 1
1 477 . 17 1 1 A 44 44 THR N N 44 105.689 111.539 -5.850 1
1 478 . 17 1 1 A 45 45 LYS H H 45 7.962 7.781 0.181 1
1 479 . 17 1 1 A 45 45 LYS HA H 45 4.042 4.092 -0.050 1
1 488 . 17 1 1 A 45 45 LYS C C 45 176.298 175.008 1.290 1
1 489 . 17 1 1 A 45 45 LYS CA C 45 57.934 57.461 0.473 1
1 490 . 17 1 1 A 45 45 LYS CB C 45 29.024 29.214 -0.190 1
1 494 . 17 1 1 A 45 45 LYS N N 45 115.260 116.915 -1.655 1
1 495 . 17 1 1 A 46 46 MET H H 46 7.750 7.233 0.517 1
1 496 . 17 1 1 A 46 46 MET HA H 46 4.498 4.916 -0.418 1
1 504 . 17 1 1 A 46 46 MET C C 46 176.127 175.306 0.821 1
1 505 . 17 1 1 A 46 46 MET CA C 46 55.788 54.454 1.334 1
1 506 . 17 1 1 A 46 46 MET CB C 46 36.233 35.523 0.710 1
1 509 . 17 1 1 A 46 46 MET N N 46 119.026 117.191 1.835 1
1 510 . 17 1 1 A 47 47 THR H H 47 8.712 8.523 0.189 1
1 511 . 17 1 1 A 47 47 THR HA H 47 4.376 4.838 -0.462 1
1 516 . 17 1 1 A 47 47 THR C C 47 175.812 176.386 -0.574 1
1 517 . 17 1 1 A 47 47 THR CA C 47 61.011 59.795 1.216 1
1 518 . 17 1 1 A 47 47 THR CB C 47 70.885 71.535 -0.650 1
1 520 . 17 1 1 A 47 47 THR N N 47 109.504 111.361 -1.857 1
1 521 . 17 1 1 A 48 48 ARG H H 48 9.074 8.981 0.093 1
1 522 . 17 1 1 A 48 48 ARG HA H 48 3.910 3.996 -0.086 1
1 530 . 17 1 1 A 48 48 ARG C C 48 178.119 178.084 0.035 1
1 531 . 17 1 1 A 48 48 ARG CA C 48 59.242 59.842 -0.600 1
1 532 . 17 1 1 A 48 48 ARG CB C 48 29.189 29.901 -0.712 1
1 535 . 17 1 1 A 48 48 ARG N N 48 120.559 122.224 -1.665 1
1 537 . 17 1 1 A 49 49 ARG H H 49 8.384 8.260 0.124 1
1 538 . 17 1 1 A 49 49 ARG HA H 49 4.237 4.090 0.147 1
1 545 . 17 1 1 A 49 49 ARG C C 49 179.478 178.465 1.013 1
1 546 . 17 1 1 A 49 49 ARG CA C 49 59.419 59.203 0.216 1
1 547 . 17 1 1 A 49 49 ARG CB C 49 30.014 29.868 0.146 1
1 550 . 17 1 1 A 49 49 ARG N N 49 117.267 118.523 -1.256 1
1 551 . 17 1 1 A 50 50 GLU H H 50 7.869 8.008 -0.139 1
1 552 . 17 1 1 A 50 50 GLU HA H 50 4.073 4.136 -0.063 1
1 557 . 17 1 1 A 50 50 GLU C C 50 180.036 178.808 1.228 1
1 558 . 17 1 1 A 50 50 GLU CA C 50 59.419 59.176 0.243 1
1 559 . 17 1 1 A 50 50 GLU CB C 50 30.672 29.367 1.305 1
1 561 . 17 1 1 A 50 50 GLU N N 50 119.568 118.810 0.758 1
1 562 . 17 1 1 A 51 51 ILE H H 51 8.451 7.873 0.578 1
1 563 . 17 1 1 A 51 51 ILE HA H 51 3.795 3.882 -0.087 1
1 573 . 17 1 1 A 51 51 ILE C C 51 177.706 177.515 0.191 1
1 574 . 17 1 1 A 51 51 ILE CA C 51 66.329 64.341 1.988 1
1 575 . 17 1 1 A 51 51 ILE CB C 51 38.715 37.903 0.812 1
1 579 . 17 1 1 A 51 51 ILE N N 51 122.516 121.518 0.998 1
1 580 . 17 1 1 A 52 52 ASP H H 52 9.078 8.931 0.147 1
1 581 . 17 1 1 A 52 52 ASP HA H 52 4.561 4.601 -0.040 1
1 584 . 17 1 1 A 52 52 ASP C C 52 180.085 178.457 1.628 1
1 585 . 17 1 1 A 52 52 ASP CA C 52 58.249 57.652 0.597 1
1 586 . 17 1 1 A 52 52 ASP CB C 52 40.908 41.715 -0.807 1
1 587 . 17 1 1 A 52 52 ASP N N 52 121.201 121.394 -0.193 1
1 588 . 17 1 1 A 53 53 SER H H 53 8.298 7.765 0.533 1
1 589 . 17 1 1 A 53 53 SER HA H 53 4.362 4.293 0.069 1
1 592 . 17 1 1 A 53 53 SER C C 53 175.934 176.633 -0.699 1
1 593 . 17 1 1 A 53 53 SER CA C 53 61.928 61.292 0.636 1
1 594 . 17 1 1 A 53 53 SER CB C 53 62.974 62.689 0.285 1
1 595 . 17 1 1 A 53 53 SER N N 53 114.616 113.671 0.945 1
1 596 . 17 1 1 A 54 54 TRP H H 54 8.315 7.814 0.501 1
1 597 . 17 1 1 A 54 54 TRP HA H 54 3.993 4.260 -0.267 1
1 606 . 17 1 1 A 54 54 TRP C C 54 179.453 178.148 1.305 1
1 607 . 17 1 1 A 54 54 TRP CA C 54 63.191 60.975 2.216 1
1 608 . 17 1 1 A 54 54 TRP CB C 54 28.777 29.455 -0.678 1
1 614 . 17 1 1 A 54 54 TRP N N 54 123.444 124.048 -0.604 1
1 616 . 17 1 1 A 55 55 PHE H H 55 9.110 7.850 1.260 1
1 617 . 17 1 1 A 55 55 PHE HA H 55 3.880 4.319 -0.439 1
1 625 . 17 1 1 A 55 55 PHE C C 55 178.119 178.193 -0.074 1
1 626 . 17 1 1 A 55 55 PHE CA C 55 63.563 60.753 2.810 1
1 627 . 17 1 1 A 55 55 PHE CB C 55 39.721 39.244 0.477 1
1 633 . 17 1 1 A 55 55 PHE N N 55 119.065 118.044 1.021 1
1 634 . 17 1 1 A 56 56 SER H H 56 8.330 8.081 0.249 1
1 635 . 17 1 1 A 56 56 SER HA H 56 4.173 4.261 -0.088 1
1 638 . 17 1 1 A 56 56 SER C C 56 177.851 175.478 2.373 1
1 639 . 17 1 1 A 56 56 SER CA C 56 61.958 61.135 0.823 1
1 640 . 17 1 1 A 56 56 SER CB C 56 62.727 62.805 -0.078 1
1 641 . 17 1 1 A 56 56 SER N N 56 113.028 114.749 -1.721 1
1 642 . 17 1 1 A 57 57 GLU H H 57 8.070 7.873 0.197 1
1 643 . 17 1 1 A 57 57 GLU HA H 57 3.922 4.265 -0.343 1
1 648 . 17 1 1 A 57 57 GLU C C 57 178.895 178.315 0.580 1
1 649 . 17 1 1 A 57 57 GLU CA C 57 58.629 57.410 1.219 1
1 650 . 17 1 1 A 57 57 GLU CB C 57 29.107 30.055 -0.948 1
1 652 . 17 1 1 A 57 57 GLU N N 57 119.996 119.733 0.263 1
1 653 . 17 1 1 A 58 58 ARG H H 58 8.048 7.561 0.487 1
1 654 . 17 1 1 A 58 58 ARG HA H 58 3.489 3.652 -0.163 1
1 662 . 17 1 1 A 58 58 ARG C C 58 179.186 178.352 0.834 1
1 663 . 17 1 1 A 58 58 ARG CA C 58 56.770 58.689 -1.919 1
1 664 . 17 1 1 A 58 58 ARG CB C 58 28.145 29.093 -0.948 1
1 667 . 17 1 1 A 58 58 ARG N N 58 122.160 121.073 1.087 1
1 669 . 17 1 1 A 59 59 ARG H H 59 8.093 8.108 -0.015 1
1 670 . 17 1 1 A 59 59 ARG HA H 59 4.212 4.276 -0.064 1
1 677 . 17 1 1 A 59 59 ARG C C 59 178.458 177.508 0.950 1
1 678 . 17 1 1 A 59 59 ARG CA C 59 60.019 59.013 1.006 1
1 679 . 17 1 1 A 59 59 ARG CB C 59 31.689 30.063 1.626 1
1 682 . 17 1 1 A 59 59 ARG N N 59 116.818 118.148 -1.330 1
1 683 . 17 1 1 A 60 60 LYS H H 60 7.418 7.957 -0.539 1
1 684 . 17 1 1 A 60 60 LYS HA H 60 4.154 4.085 0.069 1
1 693 . 17 1 1 A 60 60 LYS C C 60 177.803 178.959 -1.156 1
1 694 . 17 1 1 A 60 60 LYS CA C 60 58.327 59.048 -0.721 1
1 695 . 17 1 1 A 60 60 LYS CB C 60 32.651 32.173 0.478 1
1 699 . 17 1 1 A 60 60 LYS N N 60 117.893 118.497 -0.604 1
1 700 . 17 1 1 A 61 61 LYS H H 61 7.510 8.046 -0.536 1
1 701 . 17 1 1 A 61 61 LYS HA H 61 4.177 4.046 0.131 1
1 710 . 17 1 1 A 61 61 LYS C C 61 177.317 178.634 -1.317 1
1 711 . 17 1 1 A 61 61 LYS CA C 61 57.516 59.190 -1.674 1
1 712 . 17 1 1 A 61 61 LYS CB C 61 32.809 32.309 0.500 1
1 716 . 17 1 1 A 61 61 LYS N N 61 119.359 119.694 -0.335 1
1 717 . 17 1 1 A 62 62 VAL H H 62 7.805 7.747 0.058 1
1 718 . 17 1 1 A 62 62 VAL HA H 62 4.013 3.528 0.485 1
1 726 . 17 1 1 A 62 62 VAL C C 62 176.784 178.266 -1.482 1
1 727 . 17 1 1 A 62 62 VAL CA C 62 63.755 66.653 -2.898 1
1 728 . 17 1 1 A 62 62 VAL CB C 62 32.365 31.384 0.981 1
1 731 . 17 1 1 A 62 62 VAL N N 62 119.337 119.283 0.054 1
1 732 . 17 1 1 A 63 63 ASN H H 63 8.282 8.311 -0.029 1
1 733 . 17 1 1 A 63 63 ASN HA H 63 4.700 4.443 0.257 1
1 738 . 17 1 1 A 63 63 ASN C C 63 175.594 176.776 -1.182 1
1 739 . 17 1 1 A 63 63 ASN CA C 63 53.962 56.306 -2.344 1
1 740 . 17 1 1 A 63 63 ASN CB C 63 38.913 38.817 0.096 1
1 741 . 17 1 1 A 63 63 ASN N N 63 120.443 118.633 1.810 1
1 743 . 17 1 1 A 64 64 ALA H H 64 8.225 7.525 0.700 1
1 744 . 17 1 1 A 64 64 ALA HA H 64 4.290 4.416 -0.126 1
1 748 . 17 1 1 A 64 64 ALA C C 64 178.312 176.293 2.019 1
1 749 . 17 1 1 A 64 64 ALA CA C 64 53.319 51.528 1.791 1
1 750 . 17 1 1 A 64 64 ALA CB C 64 19.055 18.602 0.453 1
1 751 . 17 1 1 A 64 64 ALA N N 64 123.747 118.113 5.634 1
1 752 . 17 1 1 A 65 65 GLU H H 65 8.262 7.374 0.888 1
1 753 . 17 1 1 A 65 65 GLU HA H 65 4.233 4.514 -0.281 1
1 758 . 17 1 1 A 65 65 GLU C C 65 177.244 176.610 0.634 1
1 759 . 17 1 1 A 65 65 GLU CA C 65 57.269 55.656 1.613 1
1 760 . 17 1 1 A 65 65 GLU CB C 65 30.114 31.079 -0.965 1
1 762 . 17 1 1 A 65 65 GLU N N 65 118.780 119.875 -1.095 1
1 763 . 17 1 1 A 66 66 GLU H H 66 8.327 8.601 -0.274 1
1 764 . 17 1 1 A 66 66 GLU HA H 66 4.301 4.506 -0.205 1
1 769 . 17 1 1 A 66 66 GLU C C 66 177.244 176.825 0.419 1
1 770 . 17 1 1 A 66 66 GLU CA C 66 57.197 56.016 1.181 1
1 771 . 17 1 1 A 66 66 GLU CB C 66 30.227 29.912 0.315 1
1 773 . 17 1 1 A 66 66 GLU N N 66 120.955 123.766 -2.811 1
1 774 . 17 1 1 A 67 67 THR H H 67 8.135 8.633 -0.498 1
1 775 . 17 1 1 A 67 67 THR HA H 67 4.280 4.980 -0.700 1
1 780 . 17 1 1 A 67 67 THR C C 67 174.816 174.033 0.783 1
1 781 . 17 1 1 A 67 67 THR CA C 67 62.615 59.694 2.921 1
1 782 . 17 1 1 A 67 67 THR CB C 67 69.648 72.057 -2.409 1
1 784 . 17 1 1 A 67 67 THR N N 67 114.856 114.654 0.202 1
1 785 . 17 1 1 A 68 68 LYS H H 68 8.202 8.405 -0.203 1
1 786 . 17 1 1 A 68 68 LYS HA H 68 4.327 4.490 -0.163 1
1 795 . 17 1 1 A 68 68 LYS C C 68 176.637 175.100 1.537 1
1 796 . 17 1 1 A 68 68 LYS CA C 68 56.599 56.019 0.580 1
1 797 . 17 1 1 A 68 68 LYS CB C 68 32.898 31.085 1.813 1
1 801 . 17 1 1 A 68 68 LYS N N 68 123.462 118.213 5.249 1
1 802 . 17 1 1 A 69 69 LYS H H 69 8.300 7.630 0.670 1
1 803 . 17 1 1 A 69 69 LYS HA H 69 4.375 4.995 -0.620 1
1 812 . 17 1 1 A 69 69 LYS C C 69 176.661 175.427 1.234 1
1 813 . 17 1 1 A 69 69 LYS CA C 69 56.458 54.622 1.836 1
1 814 . 17 1 1 A 69 69 LYS CB C 69 33.145 34.936 -1.791 1
1 818 . 17 1 1 A 69 69 LYS N N 69 122.321 122.224 0.097 1
1 819 . 17 1 1 A 70 70 SER H H 70 8.330 8.752 -0.422 1
1 820 . 17 1 1 A 70 70 SER HA H 70 4.536 4.370 0.166 1
1 823 . 17 1 1 A 70 70 SER C C 70 174.525 174.391 0.134 1
1 824 . 17 1 1 A 70 70 SER CA C 70 58.361 59.788 -1.427 1
1 825 . 17 1 1 A 70 70 SER CB C 70 64.022 62.690 1.332 1
1 826 . 17 1 1 A 70 70 SER N N 70 116.687 120.774 -4.087 1
1 827 . 17 1 1 A 71 71 GLY H H 71 8.250 8.458 -0.208 1
1 828 . 17 1 1 A 71 71 GLY C C 71 171.782 172.587 -0.805 1
1 829 . 17 1 1 A 71 71 GLY CA C 71 44.717 45.612 -0.895 1
1 830 . 17 1 1 A 71 71 GLY N N 71 110.366 111.733 -1.367 1
1 831 . 17 1 1 A 72 72 PRO HA H 72 4.141 4.778 -0.637 1
1 832 . 17 1 1 A 74 74 SER HA H 74 4.526 4.143 0.383 1
1 835 . 17 1 1 A 74 74 SER C C 74 173.918 174.568 -0.650 1
1 836 . 17 1 1 A 74 74 SER CA C 74 58.528 58.860 -0.332 1
1 837 . 17 1 1 A 74 74 SER CB C 74 63.972 62.115 1.857 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 4.146 4.194 -0.048 1
1 2 . 18 1 1 A 7 7 GLY CA C 7 44.691 43.864 0.827 1
1 3 . 18 1 1 A 8 8 PRO HA H 8 4.512 4.640 -0.128 1
1 10 . 18 1 1 A 8 8 PRO C C 8 177.365 176.124 1.241 1
1 11 . 18 1 1 A 8 8 PRO CA C 8 63.297 62.757 0.540 1
1 12 . 18 1 1 A 8 8 PRO CB C 8 32.239 32.920 -0.681 1
1 15 . 18 1 1 A 9 9 THR H H 9 8.295 8.498 -0.203 1
1 16 . 18 1 1 A 9 9 THR HA H 9 4.271 5.118 -0.847 1
1 21 . 18 1 1 A 9 9 THR C C 9 174.452 173.183 1.269 1
1 22 . 18 1 1 A 9 9 THR CA C 9 62.276 59.916 2.360 1
1 23 . 18 1 1 A 9 9 THR CB C 9 69.790 71.075 -1.285 1
1 25 . 18 1 1 A 9 9 THR N N 9 114.885 112.019 2.866 1
1 26 . 18 1 1 A 10 10 LYS H H 10 8.284 8.325 -0.041 1
1 27 . 18 1 1 A 10 10 LYS HA H 10 4.281 4.497 -0.216 1
1 35 . 18 1 1 A 10 10 LYS C C 10 176.103 174.653 1.450 1
1 36 . 18 1 1 A 10 10 LYS CA C 10 56.316 53.843 2.473 1
1 37 . 18 1 1 A 10 10 LYS CB C 10 33.062 37.005 -3.943 1
1 41 . 18 1 1 A 10 10 LYS N N 10 123.812 123.021 0.791 1
1 42 . 18 1 1 A 11 11 TYR H H 11 8.198 8.630 -0.432 1
1 43 . 18 1 1 A 11 11 TYR HA H 11 4.569 5.015 -0.446 1
1 50 . 18 1 1 A 11 11 TYR C C 11 175.496 175.686 -0.190 1
1 51 . 18 1 1 A 11 11 TYR CA C 11 58.044 56.930 1.114 1
1 52 . 18 1 1 A 11 11 TYR CB C 11 38.842 38.073 0.769 1
1 57 . 18 1 1 A 11 11 TYR N N 11 121.375 118.560 2.815 1
1 58 . 18 1 1 A 12 12 LYS H H 12 8.168 8.411 -0.243 1
1 59 . 18 1 1 A 12 12 LYS HA H 12 4.255 4.983 -0.728 1
1 68 . 18 1 1 A 12 12 LYS C C 12 175.861 174.323 1.538 1
1 69 . 18 1 1 A 12 12 LYS CA C 12 56.050 54.294 1.756 1
1 70 . 18 1 1 A 12 12 LYS CB C 12 33.145 37.450 -4.305 1
1 74 . 18 1 1 A 12 12 LYS N N 12 123.375 123.098 0.277 1
1 75 . 18 1 1 A 13 13 GLU H H 13 8.386 8.895 -0.509 1
1 76 . 18 1 1 A 13 13 GLU HA H 13 4.285 5.220 -0.935 1
1 81 . 18 1 1 A 13 13 GLU C C 13 176.419 176.235 0.184 1
1 82 . 18 1 1 A 13 13 GLU CA C 13 56.519 54.858 1.661 1
1 83 . 18 1 1 A 13 13 GLU CB C 13 30.261 33.035 -2.774 1
1 85 . 18 1 1 A 13 13 GLU N N 13 122.385 122.829 -0.444 1
1 86 . 18 1 1 A 14 14 ARG H H 14 8.451 8.485 -0.034 1
1 87 . 18 1 1 A 14 14 ARG HA H 14 4.424 4.513 -0.089 1
1 94 . 18 1 1 A 14 14 ARG C C 14 175.230 176.032 -0.802 1
1 95 . 18 1 1 A 14 14 ARG CA C 14 55.188 56.003 -0.815 1
1 96 . 18 1 1 A 14 14 ARG CB C 14 31.003 31.325 -0.322 1
1 99 . 18 1 1 A 14 14 ARG N N 14 121.822 125.670 -3.848 1
1 100 . 18 1 1 A 15 15 ALA H H 15 8.444 8.453 -0.009 1
1 101 . 18 1 1 A 15 15 ALA HA H 15 4.633 4.594 0.039 1
1 105 . 18 1 1 A 15 15 ALA C C 15 176.808 177.707 -0.899 1
1 106 . 18 1 1 A 15 15 ALA CA C 15 50.852 50.762 0.090 1
1 107 . 18 1 1 A 15 15 ALA CB C 15 17.938 18.329 -0.391 1
1 108 . 18 1 1 A 15 15 ALA N N 15 125.225 123.631 1.594 1
1 109 . 18 1 1 A 16 16 PRO HA H 16 4.240 4.367 -0.127 1
1 116 . 18 1 1 A 16 16 PRO C C 16 178.993 179.142 -0.149 1
1 117 . 18 1 1 A 16 16 PRO CA C 16 65.731 65.206 0.525 1
1 118 . 18 1 1 A 16 16 PRO CB C 16 31.966 32.004 -0.038 1
1 121 . 18 1 1 A 17 17 GLU H H 17 9.453 8.413 1.040 1
1 122 . 18 1 1 A 17 17 GLU HA H 17 4.051 4.031 0.020 1
1 127 . 18 1 1 A 17 17 GLU C C 17 179.550 179.492 0.058 1
1 128 . 18 1 1 A 17 17 GLU CA C 17 59.568 60.333 -0.765 1
1 129 . 18 1 1 A 17 17 GLU CB C 17 28.613 28.901 -0.288 1
1 131 . 18 1 1 A 17 17 GLU N N 17 116.527 117.973 -1.446 1
1 132 . 18 1 1 A 18 18 GLN H H 18 7.529 7.982 -0.453 1
1 133 . 18 1 1 A 18 18 GLN HA H 18 4.036 3.894 0.142 1
1 140 . 18 1 1 A 18 18 GLN C C 18 176.977 178.614 -1.637 1
1 141 . 18 1 1 A 18 18 GLN CA C 18 58.785 58.940 -0.155 1
1 142 . 18 1 1 A 18 18 GLN CB C 18 28.860 28.369 0.491 1
1 144 . 18 1 1 A 18 18 GLN N N 18 119.048 119.079 -0.031 1
1 146 . 18 1 1 A 19 19 LEU H H 19 7.664 8.000 -0.336 1
1 147 . 18 1 1 A 19 19 LEU HA H 19 3.755 3.695 0.060 1
1 157 . 18 1 1 A 19 19 LEU C C 19 178.410 178.816 -0.406 1
1 158 . 18 1 1 A 19 19 LEU CA C 19 57.516 57.901 -0.385 1
1 159 . 18 1 1 A 19 19 LEU CB C 19 41.276 41.648 -0.372 1
1 163 . 18 1 1 A 19 19 LEU N N 19 117.171 120.287 -3.116 1
1 164 . 18 1 1 A 20 20 ARG H H 20 8.188 7.910 0.278 1
1 165 . 18 1 1 A 20 20 ARG HA H 20 3.998 3.889 0.109 1
1 172 . 18 1 1 A 20 20 ARG C C 20 178.993 178.244 0.749 1
1 173 . 18 1 1 A 20 20 ARG CA C 20 59.333 59.678 -0.345 1
1 174 . 18 1 1 A 20 20 ARG CB C 20 30.096 30.062 0.034 1
1 177 . 18 1 1 A 20 20 ARG N N 20 117.090 120.599 -3.509 1
1 178 . 18 1 1 A 21 21 ALA H H 21 7.176 7.789 -0.613 1
1 179 . 18 1 1 A 21 21 ALA HA H 21 4.092 4.075 0.017 1
1 183 . 18 1 1 A 21 21 ALA C C 21 180.571 179.658 0.913 1
1 184 . 18 1 1 A 21 21 ALA CA C 21 54.941 54.798 0.143 1
1 185 . 18 1 1 A 21 21 ALA CB C 21 17.858 18.552 -0.694 1
1 186 . 18 1 1 A 21 21 ALA N N 21 121.201 121.572 -0.371 1
1 187 . 18 1 1 A 22 22 LEU H H 22 7.528 7.964 -0.436 1
1 188 . 18 1 1 A 22 22 LEU HA H 22 3.576 3.717 -0.141 1
1 198 . 18 1 1 A 22 22 LEU C C 22 177.779 178.648 -0.869 1
1 199 . 18 1 1 A 22 22 LEU CA C 22 58.185 57.783 0.402 1
1 200 . 18 1 1 A 22 22 LEU CB C 22 38.666 41.060 -2.394 1
1 204 . 18 1 1 A 22 22 LEU N N 22 119.669 118.401 1.268 1
1 205 . 18 1 1 A 23 23 GLU H H 23 8.516 8.477 0.039 1
1 206 . 18 1 1 A 23 23 GLU HA H 23 4.221 4.154 0.067 1
1 211 . 18 1 1 A 23 23 GLU C C 23 180.352 179.144 1.208 1
1 212 . 18 1 1 A 23 23 GLU CA C 23 59.489 60.205 -0.716 1
1 213 . 18 1 1 A 23 23 GLU CB C 23 29.317 29.544 -0.227 1
1 215 . 18 1 1 A 23 23 GLU N N 23 117.420 117.606 -0.186 1
1 216 . 18 1 1 A 24 24 SER H H 24 8.209 7.937 0.272 1
1 217 . 18 1 1 A 24 24 SER HA H 24 4.303 4.201 0.102 1
1 220 . 18 1 1 A 24 24 SER C C 24 176.710 177.319 -0.609 1
1 221 . 18 1 1 A 24 24 SER CA C 24 61.852 61.757 0.095 1
1 222 . 18 1 1 A 24 24 SER CB C 24 62.767 62.934 -0.167 1
1 223 . 18 1 1 A 24 24 SER N N 24 114.551 115.778 -1.227 1
1 224 . 18 1 1 A 25 25 SER H H 25 7.396 8.003 -0.607 1
1 225 . 18 1 1 A 25 25 SER HA H 25 4.388 4.289 0.099 1
1 228 . 18 1 1 A 25 25 SER C C 25 177.415 177.173 0.242 1
1 229 . 18 1 1 A 25 25 SER CA C 25 61.428 61.577 -0.149 1
1 230 . 18 1 1 A 25 25 SER CB C 25 63.319 62.887 0.432 1
1 231 . 18 1 1 A 25 25 SER N N 25 115.081 115.756 -0.675 1
1 232 . 18 1 1 A 26 26 PHE H H 26 9.019 9.121 -0.102 1
1 233 . 18 1 1 A 26 26 PHE HA H 26 4.201 4.553 -0.352 1
1 241 . 18 1 1 A 26 26 PHE C C 26 176.419 176.984 -0.565 1
1 242 . 18 1 1 A 26 26 PHE CA C 26 62.239 62.467 -0.228 1
1 243 . 18 1 1 A 26 26 PHE CB C 26 39.437 39.375 0.062 1
1 249 . 18 1 1 A 26 26 PHE N N 26 120.609 123.713 -3.104 1
1 250 . 18 1 1 A 27 27 ALA H H 27 8.045 8.073 -0.028 1
1 251 . 18 1 1 A 27 27 ALA HA H 27 4.062 4.047 0.015 1
1 255 . 18 1 1 A 27 27 ALA C C 27 179.478 179.643 -0.165 1
1 256 . 18 1 1 A 27 27 ALA CA C 27 53.940 55.069 -1.129 1
1 257 . 18 1 1 A 27 27 ALA CB C 27 18.395 18.560 -0.165 1
1 258 . 18 1 1 A 27 27 ALA N N 27 116.245 121.162 -4.917 1
1 259 . 18 1 1 A 28 28 GLN H H 28 7.416 7.645 -0.229 1
1 260 . 18 1 1 A 28 28 GLN HA H 28 4.198 4.237 -0.039 1
1 267 . 18 1 1 A 28 28 GLN C C 28 177.124 176.142 0.982 1
1 268 . 18 1 1 A 28 28 GLN CA C 28 57.586 58.137 -0.551 1
1 269 . 18 1 1 A 28 28 GLN CB C 28 29.250 29.406 -0.156 1
1 271 . 18 1 1 A 28 28 GLN N N 28 115.857 115.231 0.626 1
1 273 . 18 1 1 A 29 29 ASN H H 29 8.006 7.707 0.299 1
1 274 . 18 1 1 A 29 29 ASN HA H 29 4.780 5.003 -0.223 1
1 279 . 18 1 1 A 29 29 ASN C C 29 172.728 174.860 -2.132 1
1 280 . 18 1 1 A 29 29 ASN CA C 29 51.028 50.728 0.300 1
1 281 . 18 1 1 A 29 29 ASN CB C 29 39.656 41.004 -1.348 1
1 282 . 18 1 1 A 29 29 ASN N N 29 114.892 114.294 0.598 1
1 284 . 18 1 1 A 30 30 PRO HA H 30 4.218 4.791 -0.573 1
1 291 . 18 1 1 A 30 30 PRO C C 30 174.525 176.615 -2.090 1
1 292 . 18 1 1 A 30 30 PRO CA C 30 63.827 65.100 -1.273 1
1 293 . 18 1 1 A 30 30 PRO CB C 30 33.212 32.250 0.962 1
1 296 . 18 1 1 A 31 31 LEU H H 31 7.568 8.113 -0.545 1
1 297 . 18 1 1 A 31 31 LEU HA H 31 4.709 4.450 0.259 1
1 307 . 18 1 1 A 31 31 LEU C C 31 172.607 174.124 -1.517 1
1 308 . 18 1 1 A 31 31 LEU CA C 31 51.944 51.595 0.349 1
1 309 . 18 1 1 A 31 31 LEU CB C 31 42.822 42.624 0.198 1
1 313 . 18 1 1 A 31 31 LEU N N 31 120.819 117.882 2.937 1
1 314 . 18 1 1 A 32 32 PRO HA H 32 4.073 4.508 -0.435 1
1 321 . 18 1 1 A 32 32 PRO C C 32 177.293 177.054 0.239 1
1 322 . 18 1 1 A 32 32 PRO CA C 32 62.627 62.505 0.122 1
1 323 . 18 1 1 A 32 32 PRO CB C 32 31.663 31.929 -0.266 1
1 326 . 18 1 1 A 33 33 LEU H H 33 8.254 8.415 -0.161 1
1 327 . 18 1 1 A 33 33 LEU HA H 33 4.410 4.572 -0.162 1
1 337 . 18 1 1 A 33 33 LEU C C 33 178.312 177.613 0.699 1
1 338 . 18 1 1 A 33 33 LEU CA C 33 53.742 53.816 -0.074 1
1 339 . 18 1 1 A 33 33 LEU CB C 33 42.620 42.784 -0.164 1
1 343 . 18 1 1 A 33 33 LEU N N 33 119.030 121.770 -2.740 1
1 344 . 18 1 1 A 34 34 ASP H H 34 8.532 9.021 -0.489 1
1 345 . 18 1 1 A 34 34 ASP HA H 34 4.187 4.330 -0.143 1
1 348 . 18 1 1 A 34 34 ASP C C 34 177.731 178.500 -0.769 1
1 349 . 18 1 1 A 34 34 ASP CA C 34 58.678 57.115 1.563 1
1 350 . 18 1 1 A 34 34 ASP CB C 34 40.871 40.049 0.822 1
1 351 . 18 1 1 A 34 34 ASP N N 34 120.283 120.807 -0.524 1
1 352 . 18 1 1 A 35 35 GLU H H 35 8.841 8.152 0.689 1
1 353 . 18 1 1 A 35 35 GLU HA H 35 4.135 3.982 0.153 1
1 358 . 18 1 1 A 35 35 GLU C C 35 178.919 178.767 0.152 1
1 359 . 18 1 1 A 35 35 GLU CA C 35 59.801 59.645 0.156 1
1 360 . 18 1 1 A 35 35 GLU CB C 35 28.860 29.356 -0.496 1
1 362 . 18 1 1 A 35 35 GLU N N 35 116.076 119.456 -3.380 1
1 363 . 18 1 1 A 36 36 GLU H H 36 7.242 8.214 -0.972 1
1 364 . 18 1 1 A 36 36 GLU HA H 36 4.762 4.055 0.707 1
1 369 . 18 1 1 A 36 36 GLU C C 36 178.264 178.924 -0.660 1
1 370 . 18 1 1 A 36 36 GLU CA C 36 57.303 59.023 -1.720 1
1 371 . 18 1 1 A 36 36 GLU CB C 36 28.799 29.606 -0.807 1
1 373 . 18 1 1 A 36 36 GLU N N 36 121.997 120.456 1.541 1
1 374 . 18 1 1 A 37 37 LEU H H 37 7.778 7.983 -0.205 1
1 375 . 18 1 1 A 37 37 LEU HA H 37 3.956 4.175 -0.219 1
1 385 . 18 1 1 A 37 37 LEU C C 37 179.381 178.602 0.779 1
1 386 . 18 1 1 A 37 37 LEU CA C 37 58.608 57.775 0.833 1
1 387 . 18 1 1 A 37 37 LEU CB C 37 41.227 41.367 -0.140 1
1 391 . 18 1 1 A 37 37 LEU N N 37 120.816 120.673 0.143 1
1 392 . 18 1 1 A 38 38 ASP H H 38 8.446 8.579 -0.133 1
1 393 . 18 1 1 A 38 38 ASP HA H 38 4.455 4.229 0.226 1
1 396 . 18 1 1 A 38 38 ASP C C 38 179.162 178.756 0.406 1
1 397 . 18 1 1 A 38 38 ASP CA C 38 57.550 57.784 -0.234 1
1 398 . 18 1 1 A 38 38 ASP CB C 38 40.313 41.598 -1.285 1
1 399 . 18 1 1 A 38 38 ASP N N 38 118.274 119.323 -1.049 1
1 400 . 18 1 1 A 39 39 ARG H H 39 7.964 7.367 0.597 1
1 401 . 18 1 1 A 39 39 ARG HA H 39 4.066 4.077 -0.011 1
1 409 . 18 1 1 A 39 39 ARG C C 39 179.867 178.598 1.269 1
1 410 . 18 1 1 A 39 39 ARG CA C 39 59.801 59.242 0.559 1
1 411 . 18 1 1 A 39 39 ARG CB C 39 29.849 30.138 -0.289 1
1 414 . 18 1 1 A 39 39 ARG N N 39 123.855 119.214 4.641 1
1 416 . 18 1 1 A 40 40 LEU H H 40 8.686 7.846 0.840 1
1 417 . 18 1 1 A 40 40 LEU HA H 40 4.045 3.909 0.136 1
1 427 . 18 1 1 A 40 40 LEU C C 40 180.716 178.670 2.046 1
1 428 . 18 1 1 A 40 40 LEU CA C 40 57.782 57.771 0.011 1
1 429 . 18 1 1 A 40 40 LEU CB C 40 43.153 41.345 1.808 1
1 433 . 18 1 1 A 40 40 LEU N N 40 118.936 120.449 -1.513 1
1 434 . 18 1 1 A 41 41 ARG H H 41 8.500 8.781 -0.281 1
1 435 . 18 1 1 A 41 41 ARG HA H 41 4.078 4.098 -0.020 1
1 442 . 18 1 1 A 41 41 ARG C C 41 178.702 179.151 -0.449 1
1 443 . 18 1 1 A 41 41 ARG CA C 41 60.336 59.510 0.826 1
1 444 . 18 1 1 A 41 41 ARG CB C 41 29.767 29.900 -0.133 1
1 447 . 18 1 1 A 41 41 ARG N N 41 125.386 117.987 7.399 1
1 448 . 18 1 1 A 42 42 SER H H 42 7.762 8.291 -0.529 1
1 449 . 18 1 1 A 42 42 SER HA H 42 4.238 4.089 0.149 1
1 452 . 18 1 1 A 42 42 SER C C 42 176.030 177.073 -1.043 1
1 453 . 18 1 1 A 42 42 SER CA C 42 61.535 61.857 -0.322 1
1 454 . 18 1 1 A 42 42 SER CB C 42 62.892 63.027 -0.135 1
1 455 . 18 1 1 A 42 42 SER N N 42 114.493 117.149 -2.656 1
1 456 . 18 1 1 A 43 43 GLU H H 43 8.031 8.075 -0.044 1
1 457 . 18 1 1 A 43 43 GLU HA H 43 4.220 4.031 0.189 1
1 462 . 18 1 1 A 43 43 GLU C C 43 178.264 179.229 -0.965 1
1 463 . 18 1 1 A 43 43 GLU CA C 43 58.855 59.385 -0.530 1
1 464 . 18 1 1 A 43 43 GLU CB C 43 30.959 29.358 1.601 1
1 466 . 18 1 1 A 43 43 GLU N N 43 118.451 121.721 -3.270 1
1 467 . 18 1 1 A 44 44 THR H H 44 8.387 8.194 0.193 1
1 468 . 18 1 1 A 44 44 THR HA H 44 4.333 4.142 0.191 1
1 473 . 18 1 1 A 44 44 THR C C 44 175.787 174.832 0.955 1
1 474 . 18 1 1 A 44 44 THR CA C 44 63.333 63.286 0.047 1
1 475 . 18 1 1 A 44 44 THR CB C 44 72.112 69.967 2.145 1
1 477 . 18 1 1 A 44 44 THR N N 44 105.689 111.090 -5.401 1
1 478 . 18 1 1 A 45 45 LYS H H 45 7.962 7.673 0.289 1
1 479 . 18 1 1 A 45 45 LYS HA H 45 4.042 4.178 -0.136 1
1 488 . 18 1 1 A 45 45 LYS C C 45 176.298 174.837 1.461 1
1 489 . 18 1 1 A 45 45 LYS CA C 45 57.934 57.379 0.555 1
1 490 . 18 1 1 A 45 45 LYS CB C 45 29.024 29.271 -0.247 1
1 494 . 18 1 1 A 45 45 LYS N N 45 115.260 116.725 -1.465 1
1 495 . 18 1 1 A 46 46 MET H H 46 7.750 7.066 0.684 1
1 496 . 18 1 1 A 46 46 MET HA H 46 4.498 4.946 -0.448 1
1 504 . 18 1 1 A 46 46 MET C C 46 176.127 175.330 0.797 1
1 505 . 18 1 1 A 46 46 MET CA C 46 55.788 54.211 1.577 1
1 506 . 18 1 1 A 46 46 MET CB C 46 36.233 36.504 -0.271 1
1 509 . 18 1 1 A 46 46 MET N N 46 119.026 116.177 2.849 1
1 510 . 18 1 1 A 47 47 THR H H 47 8.712 8.431 0.281 1
1 511 . 18 1 1 A 47 47 THR HA H 47 4.376 4.857 -0.481 1
1 516 . 18 1 1 A 47 47 THR C C 47 175.812 176.378 -0.566 1
1 517 . 18 1 1 A 47 47 THR CA C 47 61.011 59.547 1.464 1
1 518 . 18 1 1 A 47 47 THR CB C 47 70.885 71.855 -0.970 1
1 520 . 18 1 1 A 47 47 THR N N 47 109.504 111.551 -2.047 1
1 521 . 18 1 1 A 48 48 ARG H H 48 9.074 9.030 0.044 1
1 522 . 18 1 1 A 48 48 ARG HA H 48 3.910 3.979 -0.069 1
1 530 . 18 1 1 A 48 48 ARG C C 48 178.119 177.989 0.130 1
1 531 . 18 1 1 A 48 48 ARG CA C 48 59.242 60.561 -1.319 1
1 532 . 18 1 1 A 48 48 ARG CB C 48 29.189 30.108 -0.919 1
1 535 . 18 1 1 A 48 48 ARG N N 48 120.559 122.381 -1.822 1
1 537 . 18 1 1 A 49 49 ARG H H 49 8.384 8.198 0.186 1
1 538 . 18 1 1 A 49 49 ARG HA H 49 4.237 4.094 0.143 1
1 545 . 18 1 1 A 49 49 ARG C C 49 179.478 178.609 0.869 1
1 546 . 18 1 1 A 49 49 ARG CA C 49 59.419 58.995 0.424 1
1 547 . 18 1 1 A 49 49 ARG CB C 49 30.014 30.307 -0.293 1
1 550 . 18 1 1 A 49 49 ARG N N 49 117.267 118.174 -0.907 1
1 551 . 18 1 1 A 50 50 GLU H H 50 7.869 7.905 -0.036 1
1 552 . 18 1 1 A 50 50 GLU HA H 50 4.073 4.064 0.009 1
1 557 . 18 1 1 A 50 50 GLU C C 50 180.036 179.154 0.882 1
1 558 . 18 1 1 A 50 50 GLU CA C 50 59.419 58.897 0.522 1
1 559 . 18 1 1 A 50 50 GLU CB C 50 30.672 29.410 1.262 1
1 561 . 18 1 1 A 50 50 GLU N N 50 119.568 119.164 0.404 1
1 562 . 18 1 1 A 51 51 ILE H H 51 8.451 8.535 -0.084 1
1 563 . 18 1 1 A 51 51 ILE HA H 51 3.795 3.645 0.150 1
1 573 . 18 1 1 A 51 51 ILE C C 51 177.706 177.866 -0.160 1
1 574 . 18 1 1 A 51 51 ILE CA C 51 66.329 65.708 0.621 1
1 575 . 18 1 1 A 51 51 ILE CB C 51 38.715 37.855 0.860 1
1 579 . 18 1 1 A 51 51 ILE N N 51 122.516 121.227 1.289 1
1 580 . 18 1 1 A 52 52 ASP H H 52 9.078 8.726 0.352 1
1 581 . 18 1 1 A 52 52 ASP HA H 52 4.561 4.529 0.032 1
1 584 . 18 1 1 A 52 52 ASP C C 52 180.085 178.213 1.872 1
1 585 . 18 1 1 A 52 52 ASP CA C 52 58.249 57.726 0.523 1
1 586 . 18 1 1 A 52 52 ASP CB C 52 40.908 41.287 -0.379 1
1 587 . 18 1 1 A 52 52 ASP N N 52 121.201 121.048 0.153 1
1 588 . 18 1 1 A 53 53 SER H H 53 8.298 7.878 0.420 1
1 589 . 18 1 1 A 53 53 SER HA H 53 4.362 4.208 0.154 1
1 592 . 18 1 1 A 53 53 SER C C 53 175.934 176.958 -1.024 1
1 593 . 18 1 1 A 53 53 SER CA C 53 61.928 61.230 0.698 1
1 594 . 18 1 1 A 53 53 SER CB C 53 62.974 63.044 -0.070 1
1 595 . 18 1 1 A 53 53 SER N N 53 114.616 113.637 0.979 1
1 596 . 18 1 1 A 54 54 TRP H H 54 8.315 8.047 0.268 1
1 597 . 18 1 1 A 54 54 TRP HA H 54 3.993 4.241 -0.248 1
1 606 . 18 1 1 A 54 54 TRP C C 54 179.453 177.754 1.699 1
1 607 . 18 1 1 A 54 54 TRP CA C 54 63.191 61.276 1.915 1
1 608 . 18 1 1 A 54 54 TRP CB C 54 28.777 30.138 -1.361 1
1 614 . 18 1 1 A 54 54 TRP N N 54 123.444 124.095 -0.651 1
1 616 . 18 1 1 A 55 55 PHE H H 55 9.110 8.103 1.007 1
1 617 . 18 1 1 A 55 55 PHE HA H 55 3.880 3.991 -0.111 1
1 625 . 18 1 1 A 55 55 PHE C C 55 178.119 178.252 -0.133 1
1 626 . 18 1 1 A 55 55 PHE CA C 55 63.563 61.677 1.886 1
1 627 . 18 1 1 A 55 55 PHE CB C 55 39.721 39.386 0.335 1
1 633 . 18 1 1 A 55 55 PHE N N 55 119.065 118.341 0.724 1
1 634 . 18 1 1 A 56 56 SER H H 56 8.330 8.256 0.074 1
1 635 . 18 1 1 A 56 56 SER HA H 56 4.173 4.195 -0.022 1
1 638 . 18 1 1 A 56 56 SER C C 56 177.851 175.566 2.285 1
1 639 . 18 1 1 A 56 56 SER CA C 56 61.958 61.255 0.703 1
1 640 . 18 1 1 A 56 56 SER CB C 56 62.727 62.848 -0.121 1
1 641 . 18 1 1 A 56 56 SER N N 56 113.028 114.442 -1.414 1
1 642 . 18 1 1 A 57 57 GLU H H 57 8.070 7.967 0.103 1
1 643 . 18 1 1 A 57 57 GLU HA H 57 3.922 4.256 -0.334 1
1 648 . 18 1 1 A 57 57 GLU C C 57 178.895 177.874 1.021 1
1 649 . 18 1 1 A 57 57 GLU CA C 57 58.629 57.183 1.446 1
1 650 . 18 1 1 A 57 57 GLU CB C 57 29.107 30.151 -1.044 1
1 652 . 18 1 1 A 57 57 GLU N N 57 119.996 118.898 1.098 1
1 653 . 18 1 1 A 58 58 ARG H H 58 8.048 7.938 0.110 1
1 654 . 18 1 1 A 58 58 ARG HA H 58 3.489 3.711 -0.222 1
1 662 . 18 1 1 A 58 58 ARG C C 58 179.186 178.263 0.923 1
1 663 . 18 1 1 A 58 58 ARG CA C 58 56.770 58.350 -1.580 1
1 664 . 18 1 1 A 58 58 ARG CB C 58 28.145 29.378 -1.233 1
1 667 . 18 1 1 A 58 58 ARG N N 58 122.160 120.765 1.395 1
1 669 . 18 1 1 A 59 59 ARG H H 59 8.093 8.158 -0.065 1
1 670 . 18 1 1 A 59 59 ARG HA H 59 4.212 4.213 -0.001 1
1 677 . 18 1 1 A 59 59 ARG C C 59 178.458 177.572 0.886 1
1 678 . 18 1 1 A 59 59 ARG CA C 59 60.019 58.825 1.194 1
1 679 . 18 1 1 A 59 59 ARG CB C 59 31.689 29.845 1.844 1
1 682 . 18 1 1 A 59 59 ARG N N 59 116.818 118.125 -1.307 1
1 683 . 18 1 1 A 60 60 LYS H H 60 7.418 7.958 -0.540 1
1 684 . 18 1 1 A 60 60 LYS HA H 60 4.154 4.081 0.073 1
1 693 . 18 1 1 A 60 60 LYS C C 60 177.803 178.935 -1.132 1
1 694 . 18 1 1 A 60 60 LYS CA C 60 58.327 59.083 -0.756 1
1 695 . 18 1 1 A 60 60 LYS CB C 60 32.651 32.050 0.601 1
1 699 . 18 1 1 A 60 60 LYS N N 60 117.893 118.353 -0.460 1
1 700 . 18 1 1 A 61 61 LYS H H 61 7.510 7.973 -0.463 1
1 701 . 18 1 1 A 61 61 LYS HA H 61 4.177 4.145 0.032 1
1 710 . 18 1 1 A 61 61 LYS C C 61 177.317 178.796 -1.479 1
1 711 . 18 1 1 A 61 61 LYS CA C 61 57.516 58.895 -1.379 1
1 712 . 18 1 1 A 61 61 LYS CB C 61 32.809 31.999 0.810 1
1 716 . 18 1 1 A 61 61 LYS N N 61 119.359 119.422 -0.063 1
1 717 . 18 1 1 A 62 62 VAL H H 62 7.805 7.443 0.362 1
1 718 . 18 1 1 A 62 62 VAL HA H 62 4.013 3.635 0.378 1
1 726 . 18 1 1 A 62 62 VAL C C 62 176.784 178.279 -1.495 1
1 727 . 18 1 1 A 62 62 VAL CA C 62 63.755 66.659 -2.904 1
1 728 . 18 1 1 A 62 62 VAL CB C 62 32.365 31.694 0.671 1
1 731 . 18 1 1 A 62 62 VAL N N 62 119.337 120.489 -1.152 1
1 732 . 18 1 1 A 63 63 ASN H H 63 8.282 7.790 0.492 1
1 733 . 18 1 1 A 63 63 ASN HA H 63 4.700 4.467 0.233 1
1 738 . 18 1 1 A 63 63 ASN C C 63 175.594 176.957 -1.363 1
1 739 . 18 1 1 A 63 63 ASN CA C 63 53.962 56.250 -2.288 1
1 740 . 18 1 1 A 63 63 ASN CB C 63 38.913 38.751 0.162 1
1 741 . 18 1 1 A 63 63 ASN N N 63 120.443 118.783 1.660 1
1 743 . 18 1 1 A 64 64 ALA H H 64 8.225 7.444 0.781 1
1 744 . 18 1 1 A 64 64 ALA HA H 64 4.290 4.357 -0.067 1
1 748 . 18 1 1 A 64 64 ALA C C 64 178.312 176.393 1.919 1
1 749 . 18 1 1 A 64 64 ALA CA C 64 53.319 52.169 1.150 1
1 750 . 18 1 1 A 64 64 ALA CB C 64 19.055 18.815 0.240 1
1 751 . 18 1 1 A 64 64 ALA N N 64 123.747 118.733 5.014 1
1 752 . 18 1 1 A 65 65 GLU H H 65 8.262 7.807 0.455 1
1 753 . 18 1 1 A 65 65 GLU HA H 65 4.233 4.591 -0.358 1
1 758 . 18 1 1 A 65 65 GLU C C 65 177.244 176.102 1.142 1
1 759 . 18 1 1 A 65 65 GLU CA C 65 57.269 55.230 2.039 1
1 760 . 18 1 1 A 65 65 GLU CB C 65 30.114 31.705 -1.591 1
1 762 . 18 1 1 A 65 65 GLU N N 65 118.780 120.930 -2.150 1
1 763 . 18 1 1 A 66 66 GLU H H 66 8.327 9.188 -0.861 1
1 764 . 18 1 1 A 66 66 GLU HA H 66 4.301 4.215 0.086 1
1 769 . 18 1 1 A 66 66 GLU C C 66 177.244 176.547 0.697 1
1 770 . 18 1 1 A 66 66 GLU CA C 66 57.197 57.305 -0.108 1
1 771 . 18 1 1 A 66 66 GLU CB C 66 30.227 28.489 1.738 1
1 773 . 18 1 1 A 66 66 GLU N N 66 120.955 125.830 -4.875 1
1 774 . 18 1 1 A 67 67 THR H H 67 8.135 7.917 0.218 1
1 775 . 18 1 1 A 67 67 THR HA H 67 4.280 4.137 0.143 1
1 780 . 18 1 1 A 67 67 THR C C 67 174.816 175.578 -0.762 1
1 781 . 18 1 1 A 67 67 THR CA C 67 62.615 64.702 -2.087 1
1 782 . 18 1 1 A 67 67 THR CB C 67 69.648 69.621 0.027 1
1 784 . 18 1 1 A 67 67 THR N N 67 114.856 111.937 2.919 1
1 785 . 18 1 1 A 68 68 LYS H H 68 8.202 7.839 0.363 1
1 786 . 18 1 1 A 68 68 LYS HA H 68 4.327 4.388 -0.061 1
1 795 . 18 1 1 A 68 68 LYS C C 68 176.637 176.348 0.289 1
1 796 . 18 1 1 A 68 68 LYS CA C 68 56.599 57.376 -0.777 1
1 797 . 18 1 1 A 68 68 LYS CB C 68 32.898 33.722 -0.824 1
1 801 . 18 1 1 A 68 68 LYS N N 68 123.462 118.459 5.003 1
1 802 . 18 1 1 A 69 69 LYS H H 69 8.300 7.579 0.721 1
1 803 . 18 1 1 A 69 69 LYS HA H 69 4.375 4.759 -0.384 1
1 812 . 18 1 1 A 69 69 LYS C C 69 176.661 175.213 1.448 1
1 813 . 18 1 1 A 69 69 LYS CA C 69 56.458 55.413 1.045 1
1 814 . 18 1 1 A 69 69 LYS CB C 69 33.145 34.414 -1.269 1
1 818 . 18 1 1 A 69 69 LYS N N 69 122.321 116.103 6.218 1
1 819 . 18 1 1 A 70 70 SER H H 70 8.330 8.593 -0.263 1
1 820 . 18 1 1 A 70 70 SER HA H 70 4.536 5.104 -0.568 1
1 823 . 18 1 1 A 70 70 SER C C 70 174.525 173.591 0.934 1
1 824 . 18 1 1 A 70 70 SER CA C 70 58.361 56.480 1.881 1
1 825 . 18 1 1 A 70 70 SER CB C 70 64.022 65.030 -1.008 1
1 826 . 18 1 1 A 70 70 SER N N 70 116.687 116.539 0.148 1
1 827 . 18 1 1 A 71 71 GLY H H 71 8.250 8.386 -0.136 1
1 828 . 18 1 1 A 71 71 GLY C C 71 171.782 173.033 -1.251 1
1 829 . 18 1 1 A 71 71 GLY CA C 71 44.717 45.986 -1.269 1
1 830 . 18 1 1 A 71 71 GLY N N 71 110.366 111.877 -1.511 1
1 831 . 18 1 1 A 72 72 PRO HA H 72 4.141 4.606 -0.465 1
1 832 . 18 1 1 A 74 74 SER HA H 74 4.526 5.027 -0.501 1
1 835 . 18 1 1 A 74 74 SER C C 74 173.918 174.251 -0.333 1
1 836 . 18 1 1 A 74 74 SER CA C 74 58.528 57.493 1.035 1
1 837 . 18 1 1 A 74 74 SER CB C 74 63.972 65.005 -1.033 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 4.146 4.199 -0.053 1
1 2 . 19 1 1 A 7 7 GLY CA C 7 44.691 46.183 -1.492 1
1 3 . 19 1 1 A 8 8 PRO HA H 8 4.512 4.577 -0.065 1
1 10 . 19 1 1 A 8 8 PRO C C 8 177.365 176.601 0.764 1
1 11 . 19 1 1 A 8 8 PRO CA C 8 63.297 62.869 0.428 1
1 12 . 19 1 1 A 8 8 PRO CB C 8 32.239 31.605 0.634 1
1 15 . 19 1 1 A 9 9 THR H H 9 8.295 8.382 -0.087 1
1 16 . 19 1 1 A 9 9 THR HA H 9 4.271 4.429 -0.158 1
1 21 . 19 1 1 A 9 9 THR C C 9 174.452 173.461 0.991 1
1 22 . 19 1 1 A 9 9 THR CA C 9 62.276 62.898 -0.622 1
1 23 . 19 1 1 A 9 9 THR CB C 9 69.790 69.470 0.320 1
1 25 . 19 1 1 A 9 9 THR N N 9 114.885 117.035 -2.150 1
1 26 . 19 1 1 A 10 10 LYS H H 10 8.284 8.285 -0.001 1
1 27 . 19 1 1 A 10 10 LYS HA H 10 4.281 4.498 -0.217 1
1 35 . 19 1 1 A 10 10 LYS C C 10 176.103 176.017 0.086 1
1 36 . 19 1 1 A 10 10 LYS CA C 10 56.316 54.452 1.864 1
1 37 . 19 1 1 A 10 10 LYS CB C 10 33.062 36.298 -3.236 1
1 41 . 19 1 1 A 10 10 LYS N N 10 123.812 126.905 -3.093 1
1 42 . 19 1 1 A 11 11 TYR H H 11 8.198 8.455 -0.257 1
1 43 . 19 1 1 A 11 11 TYR HA H 11 4.569 4.180 0.389 1
1 50 . 19 1 1 A 11 11 TYR C C 11 175.496 175.906 -0.410 1
1 51 . 19 1 1 A 11 11 TYR CA C 11 58.044 60.516 -2.472 1
1 52 . 19 1 1 A 11 11 TYR CB C 11 38.842 38.206 0.636 1
1 57 . 19 1 1 A 11 11 TYR N N 11 121.375 121.598 -0.223 1
1 58 . 19 1 1 A 12 12 LYS H H 12 8.168 7.702 0.466 1
1 59 . 19 1 1 A 12 12 LYS HA H 12 4.255 4.711 -0.456 1
1 68 . 19 1 1 A 12 12 LYS C C 12 175.861 174.702 1.159 1
1 69 . 19 1 1 A 12 12 LYS CA C 12 56.050 55.307 0.743 1
1 70 . 19 1 1 A 12 12 LYS CB C 12 33.145 35.238 -2.093 1
1 74 . 19 1 1 A 12 12 LYS N N 12 123.375 113.429 9.946 1
1 75 . 19 1 1 A 13 13 GLU H H 13 8.386 8.511 -0.125 1
1 76 . 19 1 1 A 13 13 GLU HA H 13 4.285 4.512 -0.227 1
1 81 . 19 1 1 A 13 13 GLU C C 13 176.419 176.904 -0.485 1
1 82 . 19 1 1 A 13 13 GLU CA C 13 56.519 55.765 0.754 1
1 83 . 19 1 1 A 13 13 GLU CB C 13 30.261 31.024 -0.763 1
1 85 . 19 1 1 A 13 13 GLU N N 13 122.385 122.126 0.259 1
1 86 . 19 1 1 A 14 14 ARG H H 14 8.451 8.481 -0.030 1
1 87 . 19 1 1 A 14 14 ARG HA H 14 4.424 4.357 0.067 1
1 94 . 19 1 1 A 14 14 ARG C C 14 175.230 176.276 -1.046 1
1 95 . 19 1 1 A 14 14 ARG CA C 14 55.188 56.366 -1.178 1
1 96 . 19 1 1 A 14 14 ARG CB C 14 31.003 31.175 -0.172 1
1 99 . 19 1 1 A 14 14 ARG N N 14 121.822 121.566 0.256 1
1 100 . 19 1 1 A 15 15 ALA H H 15 8.444 8.423 0.021 1
1 101 . 19 1 1 A 15 15 ALA HA H 15 4.633 4.482 0.151 1
1 105 . 19 1 1 A 15 15 ALA C C 15 176.808 177.721 -0.913 1
1 106 . 19 1 1 A 15 15 ALA CA C 15 50.852 50.809 0.043 1
1 107 . 19 1 1 A 15 15 ALA CB C 15 17.938 17.866 0.072 1
1 108 . 19 1 1 A 15 15 ALA N N 15 125.225 123.381 1.844 1
1 109 . 19 1 1 A 16 16 PRO HA H 16 4.240 4.501 -0.261 1
1 116 . 19 1 1 A 16 16 PRO C C 16 178.993 177.373 1.620 1
1 117 . 19 1 1 A 16 16 PRO CA C 16 65.731 64.350 1.381 1
1 118 . 19 1 1 A 16 16 PRO CB C 16 31.966 31.744 0.222 1
1 121 . 19 1 1 A 17 17 GLU H H 17 9.453 8.467 0.986 1
1 122 . 19 1 1 A 17 17 GLU HA H 17 4.051 4.210 -0.159 1
1 127 . 19 1 1 A 17 17 GLU C C 17 179.550 178.600 0.950 1
1 128 . 19 1 1 A 17 17 GLU CA C 17 59.568 58.358 1.210 1
1 129 . 19 1 1 A 17 17 GLU CB C 17 28.613 30.025 -1.412 1
1 131 . 19 1 1 A 17 17 GLU N N 17 116.527 117.377 -0.850 1
1 132 . 19 1 1 A 18 18 GLN H H 18 7.529 7.960 -0.431 1
1 133 . 19 1 1 A 18 18 GLN HA H 18 4.036 4.095 -0.059 1
1 140 . 19 1 1 A 18 18 GLN C C 18 176.977 178.431 -1.454 1
1 141 . 19 1 1 A 18 18 GLN CA C 18 58.785 58.153 0.632 1
1 142 . 19 1 1 A 18 18 GLN CB C 18 28.860 28.843 0.017 1
1 144 . 19 1 1 A 18 18 GLN N N 18 119.048 120.904 -1.856 1
1 146 . 19 1 1 A 19 19 LEU H H 19 7.664 8.062 -0.398 1
1 147 . 19 1 1 A 19 19 LEU HA H 19 3.755 3.703 0.052 1
1 157 . 19 1 1 A 19 19 LEU C C 19 178.410 179.038 -0.628 1
1 158 . 19 1 1 A 19 19 LEU CA C 19 57.516 57.948 -0.432 1
1 159 . 19 1 1 A 19 19 LEU CB C 19 41.276 41.602 -0.326 1
1 163 . 19 1 1 A 19 19 LEU N N 19 117.171 120.345 -3.174 1
1 164 . 19 1 1 A 20 20 ARG H H 20 8.188 8.099 0.089 1
1 165 . 19 1 1 A 20 20 ARG HA H 20 3.998 3.925 0.073 1
1 172 . 19 1 1 A 20 20 ARG C C 20 178.993 178.044 0.949 1
1 173 . 19 1 1 A 20 20 ARG CA C 20 59.333 59.539 -0.206 1
1 174 . 19 1 1 A 20 20 ARG CB C 20 30.096 30.097 -0.001 1
1 177 . 19 1 1 A 20 20 ARG N N 20 117.090 120.772 -3.682 1
1 178 . 19 1 1 A 21 21 ALA H H 21 7.176 8.323 -1.147 1
1 179 . 19 1 1 A 21 21 ALA HA H 21 4.092 4.197 -0.105 1
1 183 . 19 1 1 A 21 21 ALA C C 21 180.571 179.984 0.587 1
1 184 . 19 1 1 A 21 21 ALA CA C 21 54.941 54.480 0.461 1
1 185 . 19 1 1 A 21 21 ALA CB C 21 17.858 18.683 -0.825 1
1 186 . 19 1 1 A 21 21 ALA N N 21 121.201 121.589 -0.388 1
1 187 . 19 1 1 A 22 22 LEU H H 22 7.528 7.761 -0.233 1
1 188 . 19 1 1 A 22 22 LEU HA H 22 3.576 3.697 -0.121 1
1 198 . 19 1 1 A 22 22 LEU C C 22 177.779 178.601 -0.822 1
1 199 . 19 1 1 A 22 22 LEU CA C 22 58.185 58.034 0.151 1
1 200 . 19 1 1 A 22 22 LEU CB C 22 38.666 40.752 -2.086 1
1 204 . 19 1 1 A 22 22 LEU N N 22 119.669 119.620 0.049 1
1 205 . 19 1 1 A 23 23 GLU H H 23 8.516 8.433 0.083 1
1 206 . 19 1 1 A 23 23 GLU HA H 23 4.221 4.126 0.095 1
1 211 . 19 1 1 A 23 23 GLU C C 23 180.352 179.063 1.289 1
1 212 . 19 1 1 A 23 23 GLU CA C 23 59.489 60.005 -0.516 1
1 213 . 19 1 1 A 23 23 GLU CB C 23 29.317 29.504 -0.187 1
1 215 . 19 1 1 A 23 23 GLU N N 23 117.420 117.703 -0.283 1
1 216 . 19 1 1 A 24 24 SER H H 24 8.209 8.268 -0.059 1
1 217 . 19 1 1 A 24 24 SER HA H 24 4.303 4.181 0.122 1
1 220 . 19 1 1 A 24 24 SER C C 24 176.710 176.272 0.438 1
1 221 . 19 1 1 A 24 24 SER CA C 24 61.852 61.887 -0.035 1
1 222 . 19 1 1 A 24 24 SER CB C 24 62.767 62.875 -0.108 1
1 223 . 19 1 1 A 24 24 SER N N 24 114.551 116.947 -2.396 1
1 224 . 19 1 1 A 25 25 SER H H 25 7.396 8.052 -0.656 1
1 225 . 19 1 1 A 25 25 SER HA H 25 4.388 4.283 0.105 1
1 228 . 19 1 1 A 25 25 SER C C 25 177.415 176.814 0.601 1
1 229 . 19 1 1 A 25 25 SER CA C 25 61.428 61.669 -0.241 1
1 230 . 19 1 1 A 25 25 SER CB C 25 63.319 62.814 0.505 1
1 231 . 19 1 1 A 25 25 SER N N 25 115.081 116.841 -1.760 1
1 232 . 19 1 1 A 26 26 PHE H H 26 9.019 9.127 -0.108 1
1 233 . 19 1 1 A 26 26 PHE HA H 26 4.201 4.461 -0.260 1
1 241 . 19 1 1 A 26 26 PHE C C 26 176.419 177.602 -1.183 1
1 242 . 19 1 1 A 26 26 PHE CA C 26 62.239 62.205 0.034 1
1 243 . 19 1 1 A 26 26 PHE CB C 26 39.437 39.688 -0.251 1
1 249 . 19 1 1 A 26 26 PHE N N 26 120.609 123.081 -2.472 1
1 250 . 19 1 1 A 27 27 ALA H H 27 8.045 8.100 -0.055 1
1 251 . 19 1 1 A 27 27 ALA HA H 27 4.062 4.021 0.041 1
1 255 . 19 1 1 A 27 27 ALA C C 27 179.478 179.764 -0.286 1
1 256 . 19 1 1 A 27 27 ALA CA C 27 53.940 55.321 -1.381 1
1 257 . 19 1 1 A 27 27 ALA CB C 27 18.395 18.412 -0.017 1
1 258 . 19 1 1 A 27 27 ALA N N 27 116.245 121.185 -4.940 1
1 259 . 19 1 1 A 28 28 GLN H H 28 7.416 7.875 -0.459 1
1 260 . 19 1 1 A 28 28 GLN HA H 28 4.198 4.264 -0.066 1
1 267 . 19 1 1 A 28 28 GLN C C 28 177.124 176.137 0.987 1
1 268 . 19 1 1 A 28 28 GLN CA C 28 57.586 57.970 -0.384 1
1 269 . 19 1 1 A 28 28 GLN CB C 28 29.250 29.489 -0.239 1
1 271 . 19 1 1 A 28 28 GLN N N 28 115.857 114.617 1.240 1
1 273 . 19 1 1 A 29 29 ASN H H 29 8.006 7.544 0.462 1
1 274 . 19 1 1 A 29 29 ASN HA H 29 4.780 4.962 -0.182 1
1 279 . 19 1 1 A 29 29 ASN C C 29 172.728 174.697 -1.969 1
1 280 . 19 1 1 A 29 29 ASN CA C 29 51.028 50.731 0.297 1
1 281 . 19 1 1 A 29 29 ASN CB C 29 39.656 41.010 -1.354 1
1 282 . 19 1 1 A 29 29 ASN N N 29 114.892 113.869 1.023 1
1 284 . 19 1 1 A 30 30 PRO HA H 30 4.218 4.714 -0.496 1
1 291 . 19 1 1 A 30 30 PRO C C 30 174.525 176.446 -1.921 1
1 292 . 19 1 1 A 30 30 PRO CA C 30 63.827 64.457 -0.630 1
1 293 . 19 1 1 A 30 30 PRO CB C 30 33.212 32.312 0.900 1
1 296 . 19 1 1 A 31 31 LEU H H 31 7.568 7.858 -0.290 1
1 297 . 19 1 1 A 31 31 LEU HA H 31 4.709 4.386 0.323 1
1 307 . 19 1 1 A 31 31 LEU C C 31 172.607 174.017 -1.410 1
1 308 . 19 1 1 A 31 31 LEU CA C 31 51.944 51.718 0.226 1
1 309 . 19 1 1 A 31 31 LEU CB C 31 42.822 42.623 0.199 1
1 313 . 19 1 1 A 31 31 LEU N N 31 120.819 118.544 2.275 1
1 314 . 19 1 1 A 32 32 PRO HA H 32 4.073 4.444 -0.371 1
1 321 . 19 1 1 A 32 32 PRO C C 32 177.293 177.108 0.185 1
1 322 . 19 1 1 A 32 32 PRO CA C 32 62.627 62.676 -0.049 1
1 323 . 19 1 1 A 32 32 PRO CB C 32 31.663 31.823 -0.160 1
1 326 . 19 1 1 A 33 33 LEU H H 33 8.254 8.254 0.000 1
1 327 . 19 1 1 A 33 33 LEU HA H 33 4.410 4.269 0.141 1
1 337 . 19 1 1 A 33 33 LEU C C 33 178.312 177.853 0.459 1
1 338 . 19 1 1 A 33 33 LEU CA C 33 53.742 55.206 -1.464 1
1 339 . 19 1 1 A 33 33 LEU CB C 33 42.620 42.743 -0.123 1
1 343 . 19 1 1 A 33 33 LEU N N 33 119.030 123.398 -4.368 1
1 344 . 19 1 1 A 34 34 ASP H H 34 8.532 8.986 -0.454 1
1 345 . 19 1 1 A 34 34 ASP HA H 34 4.187 4.221 -0.034 1
1 348 . 19 1 1 A 34 34 ASP C C 34 177.731 177.987 -0.256 1
1 349 . 19 1 1 A 34 34 ASP CA C 34 58.678 58.165 0.513 1
1 350 . 19 1 1 A 34 34 ASP CB C 34 40.871 41.225 -0.354 1
1 351 . 19 1 1 A 34 34 ASP N N 34 120.283 123.622 -3.339 1
1 352 . 19 1 1 A 35 35 GLU H H 35 8.841 8.193 0.648 1
1 353 . 19 1 1 A 35 35 GLU HA H 35 4.135 4.015 0.120 1
1 358 . 19 1 1 A 35 35 GLU C C 35 178.919 178.719 0.200 1
1 359 . 19 1 1 A 35 35 GLU CA C 35 59.801 59.628 0.173 1
1 360 . 19 1 1 A 35 35 GLU CB C 35 28.860 29.323 -0.463 1
1 362 . 19 1 1 A 35 35 GLU N N 35 116.076 118.369 -2.293 1
1 363 . 19 1 1 A 36 36 GLU H H 36 7.242 8.054 -0.812 1
1 364 . 19 1 1 A 36 36 GLU HA H 36 4.762 4.067 0.695 1
1 369 . 19 1 1 A 36 36 GLU C C 36 178.264 179.112 -0.848 1
1 370 . 19 1 1 A 36 36 GLU CA C 36 57.303 59.068 -1.765 1
1 371 . 19 1 1 A 36 36 GLU CB C 36 28.799 29.335 -0.536 1
1 373 . 19 1 1 A 36 36 GLU N N 36 121.997 120.363 1.634 1
1 374 . 19 1 1 A 37 37 LEU H H 37 7.778 8.202 -0.424 1
1 375 . 19 1 1 A 37 37 LEU HA H 37 3.956 4.145 -0.189 1
1 385 . 19 1 1 A 37 37 LEU C C 37 179.381 178.532 0.849 1
1 386 . 19 1 1 A 37 37 LEU CA C 37 58.608 57.915 0.693 1
1 387 . 19 1 1 A 37 37 LEU CB C 37 41.227 41.643 -0.416 1
1 391 . 19 1 1 A 37 37 LEU N N 37 120.816 120.334 0.482 1
1 392 . 19 1 1 A 38 38 ASP H H 38 8.446 8.563 -0.117 1
1 393 . 19 1 1 A 38 38 ASP HA H 38 4.455 4.264 0.191 1
1 396 . 19 1 1 A 38 38 ASP C C 38 179.162 178.758 0.404 1
1 397 . 19 1 1 A 38 38 ASP CA C 38 57.550 57.786 -0.236 1
1 398 . 19 1 1 A 38 38 ASP CB C 38 40.313 41.757 -1.444 1
1 399 . 19 1 1 A 38 38 ASP N N 38 118.274 119.213 -0.939 1
1 400 . 19 1 1 A 39 39 ARG H H 39 7.964 7.462 0.502 1
1 401 . 19 1 1 A 39 39 ARG HA H 39 4.066 4.073 -0.007 1
1 409 . 19 1 1 A 39 39 ARG C C 39 179.867 178.648 1.219 1
1 410 . 19 1 1 A 39 39 ARG CA C 39 59.801 59.104 0.697 1
1 411 . 19 1 1 A 39 39 ARG CB C 39 29.849 30.058 -0.209 1
1 414 . 19 1 1 A 39 39 ARG N N 39 123.855 119.097 4.758 1
1 416 . 19 1 1 A 40 40 LEU H H 40 8.686 7.892 0.794 1
1 417 . 19 1 1 A 40 40 LEU HA H 40 4.045 3.915 0.130 1
1 427 . 19 1 1 A 40 40 LEU C C 40 180.716 179.006 1.710 1
1 428 . 19 1 1 A 40 40 LEU CA C 40 57.782 57.937 -0.155 1
1 429 . 19 1 1 A 40 40 LEU CB C 40 43.153 41.524 1.629 1
1 433 . 19 1 1 A 40 40 LEU N N 40 118.936 120.326 -1.390 1
1 434 . 19 1 1 A 41 41 ARG H H 41 8.500 8.668 -0.168 1
1 435 . 19 1 1 A 41 41 ARG HA H 41 4.078 4.009 0.069 1
1 442 . 19 1 1 A 41 41 ARG C C 41 178.702 179.304 -0.602 1
1 443 . 19 1 1 A 41 41 ARG CA C 41 60.336 59.511 0.825 1
1 444 . 19 1 1 A 41 41 ARG CB C 41 29.767 29.849 -0.082 1
1 447 . 19 1 1 A 41 41 ARG N N 41 125.386 118.557 6.829 1
1 448 . 19 1 1 A 42 42 SER H H 42 7.762 8.086 -0.324 1
1 449 . 19 1 1 A 42 42 SER HA H 42 4.238 4.136 0.102 1
1 452 . 19 1 1 A 42 42 SER C C 42 176.030 176.604 -0.574 1
1 453 . 19 1 1 A 42 42 SER CA C 42 61.535 61.901 -0.366 1
1 454 . 19 1 1 A 42 42 SER CB C 42 62.892 63.063 -0.171 1
1 455 . 19 1 1 A 42 42 SER N N 42 114.493 117.198 -2.705 1
1 456 . 19 1 1 A 43 43 GLU H H 43 8.031 7.529 0.502 1
1 457 . 19 1 1 A 43 43 GLU HA H 43 4.220 4.001 0.219 1
1 462 . 19 1 1 A 43 43 GLU C C 43 178.264 179.056 -0.792 1
1 463 . 19 1 1 A 43 43 GLU CA C 43 58.855 59.477 -0.622 1
1 464 . 19 1 1 A 43 43 GLU CB C 43 30.959 29.349 1.610 1
1 466 . 19 1 1 A 43 43 GLU N N 43 118.451 121.836 -3.385 1
1 467 . 19 1 1 A 44 44 THR H H 44 8.387 8.087 0.300 1
1 468 . 19 1 1 A 44 44 THR HA H 44 4.333 4.107 0.226 1
1 473 . 19 1 1 A 44 44 THR C C 44 175.787 174.828 0.959 1
1 474 . 19 1 1 A 44 44 THR CA C 44 63.333 64.070 -0.737 1
1 475 . 19 1 1 A 44 44 THR CB C 44 72.112 69.975 2.137 1
1 477 . 19 1 1 A 44 44 THR N N 44 105.689 111.135 -5.446 1
1 478 . 19 1 1 A 45 45 LYS H H 45 7.962 7.770 0.192 1
1 479 . 19 1 1 A 45 45 LYS HA H 45 4.042 4.022 0.020 1
1 488 . 19 1 1 A 45 45 LYS C C 45 176.298 174.705 1.593 1
1 489 . 19 1 1 A 45 45 LYS CA C 45 57.934 57.399 0.535 1
1 490 . 19 1 1 A 45 45 LYS CB C 45 29.024 29.292 -0.268 1
1 494 . 19 1 1 A 45 45 LYS N N 45 115.260 116.770 -1.510 1
1 495 . 19 1 1 A 46 46 MET H H 46 7.750 7.582 0.168 1
1 496 . 19 1 1 A 46 46 MET HA H 46 4.498 4.959 -0.461 1
1 504 . 19 1 1 A 46 46 MET C C 46 176.127 175.863 0.264 1
1 505 . 19 1 1 A 46 46 MET CA C 46 55.788 54.010 1.778 1
1 506 . 19 1 1 A 46 46 MET CB C 46 36.233 36.673 -0.440 1
1 509 . 19 1 1 A 46 46 MET N N 46 119.026 116.308 2.718 1
1 510 . 19 1 1 A 47 47 THR H H 47 8.712 8.613 0.099 1
1 511 . 19 1 1 A 47 47 THR HA H 47 4.376 4.730 -0.354 1
1 516 . 19 1 1 A 47 47 THR C C 47 175.812 176.085 -0.273 1
1 517 . 19 1 1 A 47 47 THR CA C 47 61.011 60.528 0.483 1
1 518 . 19 1 1 A 47 47 THR CB C 47 70.885 71.609 -0.724 1
1 520 . 19 1 1 A 47 47 THR N N 47 109.504 111.768 -2.264 1
1 521 . 19 1 1 A 48 48 ARG H H 48 9.074 8.889 0.185 1
1 522 . 19 1 1 A 48 48 ARG HA H 48 3.910 3.979 -0.069 1
1 530 . 19 1 1 A 48 48 ARG C C 48 178.119 178.176 -0.057 1
1 531 . 19 1 1 A 48 48 ARG CA C 48 59.242 60.172 -0.930 1
1 532 . 19 1 1 A 48 48 ARG CB C 48 29.189 30.040 -0.851 1
1 535 . 19 1 1 A 48 48 ARG N N 48 120.559 121.944 -1.385 1
1 537 . 19 1 1 A 49 49 ARG H H 49 8.384 8.214 0.170 1
1 538 . 19 1 1 A 49 49 ARG HA H 49 4.237 4.115 0.122 1
1 545 . 19 1 1 A 49 49 ARG C C 49 179.478 178.329 1.149 1
1 546 . 19 1 1 A 49 49 ARG CA C 49 59.419 59.009 0.410 1
1 547 . 19 1 1 A 49 49 ARG CB C 49 30.014 30.115 -0.101 1
1 550 . 19 1 1 A 49 49 ARG N N 49 117.267 118.359 -1.092 1
1 551 . 19 1 1 A 50 50 GLU H H 50 7.869 8.234 -0.365 1
1 552 . 19 1 1 A 50 50 GLU HA H 50 4.073 4.089 -0.016 1
1 557 . 19 1 1 A 50 50 GLU C C 50 180.036 179.358 0.678 1
1 558 . 19 1 1 A 50 50 GLU CA C 50 59.419 58.981 0.438 1
1 559 . 19 1 1 A 50 50 GLU CB C 50 30.672 29.505 1.167 1
1 561 . 19 1 1 A 50 50 GLU N N 50 119.568 118.786 0.782 1
1 562 . 19 1 1 A 51 51 ILE H H 51 8.451 7.882 0.569 1
1 563 . 19 1 1 A 51 51 ILE HA H 51 3.795 3.717 0.078 1
1 573 . 19 1 1 A 51 51 ILE C C 51 177.706 177.750 -0.044 1
1 574 . 19 1 1 A 51 51 ILE CA C 51 66.329 65.161 1.168 1
1 575 . 19 1 1 A 51 51 ILE CB C 51 38.715 37.689 1.026 1
1 579 . 19 1 1 A 51 51 ILE N N 51 122.516 120.977 1.539 1
1 580 . 19 1 1 A 52 52 ASP H H 52 9.078 9.034 0.044 1
1 581 . 19 1 1 A 52 52 ASP HA H 52 4.561 4.523 0.038 1
1 584 . 19 1 1 A 52 52 ASP C C 52 180.085 178.443 1.642 1
1 585 . 19 1 1 A 52 52 ASP CA C 52 58.249 57.601 0.648 1
1 586 . 19 1 1 A 52 52 ASP CB C 52 40.908 40.521 0.387 1
1 587 . 19 1 1 A 52 52 ASP N N 52 121.201 121.245 -0.044 1
1 588 . 19 1 1 A 53 53 SER H H 53 8.298 7.722 0.576 1
1 589 . 19 1 1 A 53 53 SER HA H 53 4.362 4.323 0.039 1
1 592 . 19 1 1 A 53 53 SER C C 53 175.934 176.863 -0.929 1
1 593 . 19 1 1 A 53 53 SER CA C 53 61.928 61.285 0.643 1
1 594 . 19 1 1 A 53 53 SER CB C 53 62.974 62.695 0.279 1
1 595 . 19 1 1 A 53 53 SER N N 53 114.616 115.045 -0.429 1
1 596 . 19 1 1 A 54 54 TRP H H 54 8.315 8.147 0.168 1
1 597 . 19 1 1 A 54 54 TRP HA H 54 3.993 4.242 -0.249 1
1 606 . 19 1 1 A 54 54 TRP C C 54 179.453 178.150 1.303 1
1 607 . 19 1 1 A 54 54 TRP CA C 54 63.191 61.057 2.134 1
1 608 . 19 1 1 A 54 54 TRP CB C 54 28.777 29.296 -0.519 1
1 614 . 19 1 1 A 54 54 TRP N N 54 123.444 124.106 -0.662 1
1 616 . 19 1 1 A 55 55 PHE H H 55 9.110 8.024 1.086 1
1 617 . 19 1 1 A 55 55 PHE HA H 55 3.880 4.346 -0.466 1
1 625 . 19 1 1 A 55 55 PHE C C 55 178.119 178.167 -0.048 1
1 626 . 19 1 1 A 55 55 PHE CA C 55 63.563 60.537 3.026 1
1 627 . 19 1 1 A 55 55 PHE CB C 55 39.721 39.346 0.375 1
1 633 . 19 1 1 A 55 55 PHE N N 55 119.065 118.220 0.845 1
1 634 . 19 1 1 A 56 56 SER H H 56 8.330 8.497 -0.167 1
1 635 . 19 1 1 A 56 56 SER HA H 56 4.173 4.215 -0.042 1
1 638 . 19 1 1 A 56 56 SER C C 56 177.851 176.277 1.574 1
1 639 . 19 1 1 A 56 56 SER CA C 56 61.958 61.288 0.670 1
1 640 . 19 1 1 A 56 56 SER CB C 56 62.727 62.840 -0.113 1
1 641 . 19 1 1 A 56 56 SER N N 56 113.028 114.341 -1.313 1
1 642 . 19 1 1 A 57 57 GLU H H 57 8.070 7.944 0.126 1
1 643 . 19 1 1 A 57 57 GLU HA H 57 3.922 4.201 -0.279 1
1 648 . 19 1 1 A 57 57 GLU C C 57 178.895 178.821 0.074 1
1 649 . 19 1 1 A 57 57 GLU CA C 57 58.629 57.948 0.681 1
1 650 . 19 1 1 A 57 57 GLU CB C 57 29.107 30.221 -1.114 1
1 652 . 19 1 1 A 57 57 GLU N N 57 119.996 119.979 0.017 1
1 653 . 19 1 1 A 58 58 ARG H H 58 8.048 7.924 0.124 1
1 654 . 19 1 1 A 58 58 ARG HA H 58 3.489 3.625 -0.136 1
1 662 . 19 1 1 A 58 58 ARG C C 58 179.186 178.345 0.841 1
1 663 . 19 1 1 A 58 58 ARG CA C 58 56.770 58.821 -2.051 1
1 664 . 19 1 1 A 58 58 ARG CB C 58 28.145 28.834 -0.689 1
1 667 . 19 1 1 A 58 58 ARG N N 58 122.160 120.500 1.660 1
1 669 . 19 1 1 A 59 59 ARG H H 59 8.093 8.279 -0.186 1
1 670 . 19 1 1 A 59 59 ARG HA H 59 4.212 4.255 -0.043 1
1 677 . 19 1 1 A 59 59 ARG C C 59 178.458 177.588 0.870 1
1 678 . 19 1 1 A 59 59 ARG CA C 59 60.019 59.080 0.939 1
1 679 . 19 1 1 A 59 59 ARG CB C 59 31.689 29.960 1.729 1
1 682 . 19 1 1 A 59 59 ARG N N 59 116.818 117.724 -0.906 1
1 683 . 19 1 1 A 60 60 LYS H H 60 7.418 8.000 -0.582 1
1 684 . 19 1 1 A 60 60 LYS HA H 60 4.154 4.115 0.039 1
1 693 . 19 1 1 A 60 60 LYS C C 60 177.803 179.111 -1.308 1
1 694 . 19 1 1 A 60 60 LYS CA C 60 58.327 58.873 -0.546 1
1 695 . 19 1 1 A 60 60 LYS CB C 60 32.651 32.269 0.382 1
1 699 . 19 1 1 A 60 60 LYS N N 60 117.893 118.353 -0.460 1
1 700 . 19 1 1 A 61 61 LYS H H 61 7.510 8.124 -0.614 1
1 701 . 19 1 1 A 61 61 LYS HA H 61 4.177 4.113 0.064 1
1 710 . 19 1 1 A 61 61 LYS C C 61 177.317 178.852 -1.535 1
1 711 . 19 1 1 A 61 61 LYS CA C 61 57.516 58.815 -1.299 1
1 712 . 19 1 1 A 61 61 LYS CB C 61 32.809 31.891 0.918 1
1 716 . 19 1 1 A 61 61 LYS N N 61 119.359 119.737 -0.378 1
1 717 . 19 1 1 A 62 62 VAL H H 62 7.805 7.691 0.114 1
1 718 . 19 1 1 A 62 62 VAL HA H 62 4.013 3.546 0.467 1
1 726 . 19 1 1 A 62 62 VAL C C 62 176.784 178.268 -1.484 1
1 727 . 19 1 1 A 62 62 VAL CA C 62 63.755 66.581 -2.826 1
1 728 . 19 1 1 A 62 62 VAL CB C 62 32.365 31.479 0.886 1
1 731 . 19 1 1 A 62 62 VAL N N 62 119.337 120.074 -0.737 1
1 732 . 19 1 1 A 63 63 ASN H H 63 8.282 8.206 0.076 1
1 733 . 19 1 1 A 63 63 ASN HA H 63 4.700 4.484 0.216 1
1 738 . 19 1 1 A 63 63 ASN C C 63 175.594 176.827 -1.233 1
1 739 . 19 1 1 A 63 63 ASN CA C 63 53.962 56.151 -2.189 1
1 740 . 19 1 1 A 63 63 ASN CB C 63 38.913 38.732 0.181 1
1 741 . 19 1 1 A 63 63 ASN N N 63 120.443 118.389 2.054 1
1 743 . 19 1 1 A 64 64 ALA H H 64 8.225 7.505 0.720 1
1 744 . 19 1 1 A 64 64 ALA HA H 64 4.290 4.399 -0.109 1
1 748 . 19 1 1 A 64 64 ALA C C 64 178.312 176.664 1.648 1
1 749 . 19 1 1 A 64 64 ALA CA C 64 53.319 51.719 1.600 1
1 750 . 19 1 1 A 64 64 ALA CB C 64 19.055 18.438 0.617 1
1 751 . 19 1 1 A 64 64 ALA N N 64 123.747 118.328 5.419 1
1 752 . 19 1 1 A 65 65 GLU H H 65 8.262 7.730 0.532 1
1 753 . 19 1 1 A 65 65 GLU HA H 65 4.233 4.628 -0.395 1
1 758 . 19 1 1 A 65 65 GLU C C 65 177.244 175.544 1.700 1
1 759 . 19 1 1 A 65 65 GLU CA C 65 57.269 55.978 1.291 1
1 760 . 19 1 1 A 65 65 GLU CB C 65 30.114 30.869 -0.755 1
1 762 . 19 1 1 A 65 65 GLU N N 65 118.780 119.976 -1.196 1
1 763 . 19 1 1 A 66 66 GLU H H 66 8.327 8.812 -0.485 1
1 764 . 19 1 1 A 66 66 GLU HA H 66 4.301 4.943 -0.642 1
1 769 . 19 1 1 A 66 66 GLU C C 66 177.244 175.092 2.152 1
1 770 . 19 1 1 A 66 66 GLU CA C 66 57.197 54.492 2.705 1
1 771 . 19 1 1 A 66 66 GLU CB C 66 30.227 33.476 -3.249 1
1 773 . 19 1 1 A 66 66 GLU N N 66 120.955 127.150 -6.195 1
1 774 . 19 1 1 A 67 67 THR H H 67 8.135 8.652 -0.517 1
1 775 . 19 1 1 A 67 67 THR HA H 67 4.280 4.546 -0.266 1
1 780 . 19 1 1 A 67 67 THR C C 67 174.816 174.363 0.453 1
1 781 . 19 1 1 A 67 67 THR CA C 67 62.615 63.119 -0.504 1
1 782 . 19 1 1 A 67 67 THR CB C 67 69.648 69.504 0.144 1
1 784 . 19 1 1 A 67 67 THR N N 67 114.856 117.708 -2.852 1
1 785 . 19 1 1 A 68 68 LYS H H 68 8.202 8.933 -0.731 1
1 786 . 19 1 1 A 68 68 LYS HA H 68 4.327 4.885 -0.558 1
1 795 . 19 1 1 A 68 68 LYS C C 68 176.637 174.482 2.155 1
1 796 . 19 1 1 A 68 68 LYS CA C 68 56.599 54.256 2.343 1
1 797 . 19 1 1 A 68 68 LYS CB C 68 32.898 36.709 -3.811 1
1 801 . 19 1 1 A 68 68 LYS N N 68 123.462 124.672 -1.210 1
1 802 . 19 1 1 A 69 69 LYS H H 69 8.300 8.530 -0.230 1
1 803 . 19 1 1 A 69 69 LYS HA H 69 4.375 4.531 -0.156 1
1 812 . 19 1 1 A 69 69 LYS C C 69 176.661 176.152 0.509 1
1 813 . 19 1 1 A 69 69 LYS CA C 69 56.458 55.249 1.209 1
1 814 . 19 1 1 A 69 69 LYS CB C 69 33.145 33.881 -0.736 1
1 818 . 19 1 1 A 69 69 LYS N N 69 122.321 122.955 -0.634 1
1 819 . 19 1 1 A 70 70 SER H H 70 8.330 8.715 -0.385 1
1 820 . 19 1 1 A 70 70 SER HA H 70 4.536 4.914 -0.378 1
1 823 . 19 1 1 A 70 70 SER C C 70 174.525 173.646 0.879 1
1 824 . 19 1 1 A 70 70 SER CA C 70 58.361 57.718 0.643 1
1 825 . 19 1 1 A 70 70 SER CB C 70 64.022 63.908 0.114 1
1 826 . 19 1 1 A 70 70 SER N N 70 116.687 121.703 -5.016 1
1 827 . 19 1 1 A 71 71 GLY H H 71 8.250 8.216 0.034 1
1 828 . 19 1 1 A 71 71 GLY C C 71 171.782 171.587 0.195 1
1 829 . 19 1 1 A 71 71 GLY CA C 71 44.717 45.576 -0.859 1
1 830 . 19 1 1 A 71 71 GLY N N 71 110.366 113.361 -2.995 1
1 831 . 19 1 1 A 72 72 PRO HA H 72 4.141 4.754 -0.613 1
1 832 . 19 1 1 A 74 74 SER HA H 74 4.526 5.200 -0.674 1
1 835 . 19 1 1 A 74 74 SER C C 74 173.918 174.047 -0.129 1
1 836 . 19 1 1 A 74 74 SER CA C 74 58.528 56.536 1.992 1
1 837 . 19 1 1 A 74 74 SER CB C 74 63.972 66.528 -2.556 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 4.146 4.019 0.127 1
1 2 . 20 1 1 A 7 7 GLY CA C 7 44.691 44.348 0.343 1
1 3 . 20 1 1 A 8 8 PRO HA H 8 4.512 4.713 -0.201 1
1 10 . 20 1 1 A 8 8 PRO C C 8 177.365 175.959 1.406 1
1 11 . 20 1 1 A 8 8 PRO CA C 8 63.297 62.614 0.683 1
1 12 . 20 1 1 A 8 8 PRO CB C 8 32.239 30.147 2.092 1
1 15 . 20 1 1 A 9 9 THR H H 9 8.295 8.027 0.268 1
1 16 . 20 1 1 A 9 9 THR HA H 9 4.271 4.537 -0.266 1
1 21 . 20 1 1 A 9 9 THR C C 9 174.452 173.881 0.571 1
1 22 . 20 1 1 A 9 9 THR CA C 9 62.276 62.688 -0.412 1
1 23 . 20 1 1 A 9 9 THR CB C 9 69.790 69.638 0.152 1
1 25 . 20 1 1 A 9 9 THR N N 9 114.885 117.330 -2.445 1
1 26 . 20 1 1 A 10 10 LYS H H 10 8.284 8.669 -0.385 1
1 27 . 20 1 1 A 10 10 LYS HA H 10 4.281 4.525 -0.244 1
1 35 . 20 1 1 A 10 10 LYS C C 10 176.103 176.579 -0.476 1
1 36 . 20 1 1 A 10 10 LYS CA C 10 56.316 54.167 2.149 1
1 37 . 20 1 1 A 10 10 LYS CB C 10 33.062 35.240 -2.178 1
1 41 . 20 1 1 A 10 10 LYS N N 10 123.812 126.588 -2.776 1
1 42 . 20 1 1 A 11 11 TYR H H 11 8.198 8.789 -0.591 1
1 43 . 20 1 1 A 11 11 TYR HA H 11 4.569 4.456 0.113 1
1 50 . 20 1 1 A 11 11 TYR C C 11 175.496 176.466 -0.970 1
1 51 . 20 1 1 A 11 11 TYR CA C 11 58.044 59.902 -1.858 1
1 52 . 20 1 1 A 11 11 TYR CB C 11 38.842 39.263 -0.421 1
1 57 . 20 1 1 A 11 11 TYR N N 11 121.375 121.254 0.121 1
1 58 . 20 1 1 A 12 12 LYS H H 12 8.168 7.902 0.266 1
1 59 . 20 1 1 A 12 12 LYS HA H 12 4.255 4.247 0.008 1
1 68 . 20 1 1 A 12 12 LYS C C 12 175.861 176.557 -0.696 1
1 69 . 20 1 1 A 12 12 LYS CA C 12 56.050 57.450 -1.400 1
1 70 . 20 1 1 A 12 12 LYS CB C 12 33.145 32.685 0.460 1
1 74 . 20 1 1 A 12 12 LYS N N 12 123.375 119.116 4.259 1
1 75 . 20 1 1 A 13 13 GLU H H 13 8.386 8.740 -0.354 1
1 76 . 20 1 1 A 13 13 GLU HA H 13 4.285 5.061 -0.776 1
1 81 . 20 1 1 A 13 13 GLU C C 13 176.419 174.904 1.515 1
1 82 . 20 1 1 A 13 13 GLU CA C 13 56.519 55.104 1.415 1
1 83 . 20 1 1 A 13 13 GLU CB C 13 30.261 33.654 -3.393 1
1 85 . 20 1 1 A 13 13 GLU N N 13 122.385 121.897 0.488 1
1 86 . 20 1 1 A 14 14 ARG H H 14 8.451 8.698 -0.247 1
1 87 . 20 1 1 A 14 14 ARG HA H 14 4.424 4.725 -0.301 1
1 94 . 20 1 1 A 14 14 ARG C C 14 175.230 176.066 -0.836 1
1 95 . 20 1 1 A 14 14 ARG CA C 14 55.188 55.245 -0.057 1
1 96 . 20 1 1 A 14 14 ARG CB C 14 31.003 31.563 -0.560 1
1 99 . 20 1 1 A 14 14 ARG N N 14 121.822 124.381 -2.559 1
1 100 . 20 1 1 A 15 15 ALA H H 15 8.444 8.461 -0.017 1
1 101 . 20 1 1 A 15 15 ALA HA H 15 4.633 4.600 0.033 1
1 105 . 20 1 1 A 15 15 ALA C C 15 176.808 177.763 -0.955 1
1 106 . 20 1 1 A 15 15 ALA CA C 15 50.852 50.738 0.114 1
1 107 . 20 1 1 A 15 15 ALA CB C 15 17.938 18.416 -0.478 1
1 108 . 20 1 1 A 15 15 ALA N N 15 125.225 123.944 1.281 1
1 109 . 20 1 1 A 16 16 PRO HA H 16 4.240 4.397 -0.157 1
1 116 . 20 1 1 A 16 16 PRO C C 16 178.993 178.411 0.582 1
1 117 . 20 1 1 A 16 16 PRO CA C 16 65.731 64.715 1.016 1
1 118 . 20 1 1 A 16 16 PRO CB C 16 31.966 32.197 -0.231 1
1 121 . 20 1 1 A 17 17 GLU H H 17 9.453 8.386 1.067 1
1 122 . 20 1 1 A 17 17 GLU HA H 17 4.051 4.051 0.000 1
1 127 . 20 1 1 A 17 17 GLU C C 17 179.550 179.639 -0.089 1
1 128 . 20 1 1 A 17 17 GLU CA C 17 59.568 59.864 -0.296 1
1 129 . 20 1 1 A 17 17 GLU CB C 17 28.613 29.102 -0.489 1
1 131 . 20 1 1 A 17 17 GLU N N 17 116.527 118.298 -1.771 1
1 132 . 20 1 1 A 18 18 GLN H H 18 7.529 7.988 -0.459 1
1 133 . 20 1 1 A 18 18 GLN HA H 18 4.036 3.917 0.119 1
1 140 . 20 1 1 A 18 18 GLN C C 18 176.977 178.413 -1.436 1
1 141 . 20 1 1 A 18 18 GLN CA C 18 58.785 58.868 -0.083 1
1 142 . 20 1 1 A 18 18 GLN CB C 18 28.860 28.354 0.506 1
1 144 . 20 1 1 A 18 18 GLN N N 18 119.048 119.056 -0.008 1
1 146 . 20 1 1 A 19 19 LEU H H 19 7.664 8.012 -0.348 1
1 147 . 20 1 1 A 19 19 LEU HA H 19 3.755 3.618 0.137 1
1 157 . 20 1 1 A 19 19 LEU C C 19 178.410 178.610 -0.200 1
1 158 . 20 1 1 A 19 19 LEU CA C 19 57.516 57.593 -0.077 1
1 159 . 20 1 1 A 19 19 LEU CB C 19 41.276 41.438 -0.162 1
1 163 . 20 1 1 A 19 19 LEU N N 19 117.171 120.638 -3.467 1
1 164 . 20 1 1 A 20 20 ARG H H 20 8.188 7.724 0.464 1
1 165 . 20 1 1 A 20 20 ARG HA H 20 3.998 3.972 0.026 1
1 172 . 20 1 1 A 20 20 ARG C C 20 178.993 178.402 0.591 1
1 173 . 20 1 1 A 20 20 ARG CA C 20 59.333 59.398 -0.065 1
1 174 . 20 1 1 A 20 20 ARG CB C 20 30.096 29.926 0.170 1
1 177 . 20 1 1 A 20 20 ARG N N 20 117.090 118.836 -1.746 1
1 178 . 20 1 1 A 21 21 ALA H H 21 7.176 7.707 -0.531 1
1 179 . 20 1 1 A 21 21 ALA HA H 21 4.092 4.025 0.067 1
1 183 . 20 1 1 A 21 21 ALA C C 21 180.571 179.808 0.763 1
1 184 . 20 1 1 A 21 21 ALA CA C 21 54.941 54.759 0.182 1
1 185 . 20 1 1 A 21 21 ALA CB C 21 17.858 18.169 -0.311 1
1 186 . 20 1 1 A 21 21 ALA N N 21 121.201 120.843 0.358 1
1 187 . 20 1 1 A 22 22 LEU H H 22 7.528 7.849 -0.321 1
1 188 . 20 1 1 A 22 22 LEU HA H 22 3.576 3.572 0.004 1
1 198 . 20 1 1 A 22 22 LEU C C 22 177.779 178.499 -0.720 1
1 199 . 20 1 1 A 22 22 LEU CA C 22 58.185 57.839 0.346 1
1 200 . 20 1 1 A 22 22 LEU CB C 22 38.666 40.640 -1.974 1
1 204 . 20 1 1 A 22 22 LEU N N 22 119.669 119.423 0.246 1
1 205 . 20 1 1 A 23 23 GLU H H 23 8.516 8.463 0.053 1
1 206 . 20 1 1 A 23 23 GLU HA H 23 4.221 4.155 0.066 1
1 211 . 20 1 1 A 23 23 GLU C C 23 180.352 179.051 1.301 1
1 212 . 20 1 1 A 23 23 GLU CA C 23 59.489 60.085 -0.596 1
1 213 . 20 1 1 A 23 23 GLU CB C 23 29.317 29.382 -0.065 1
1 215 . 20 1 1 A 23 23 GLU N N 23 117.420 117.649 -0.229 1
1 216 . 20 1 1 A 24 24 SER H H 24 8.209 7.688 0.521 1
1 217 . 20 1 1 A 24 24 SER HA H 24 4.303 4.132 0.171 1
1 220 . 20 1 1 A 24 24 SER C C 24 176.710 177.391 -0.681 1
1 221 . 20 1 1 A 24 24 SER CA C 24 61.852 61.784 0.068 1
1 222 . 20 1 1 A 24 24 SER CB C 24 62.767 63.096 -0.329 1
1 223 . 20 1 1 A 24 24 SER N N 24 114.551 115.904 -1.353 1
1 224 . 20 1 1 A 25 25 SER H H 25 7.396 7.912 -0.516 1
1 225 . 20 1 1 A 25 25 SER HA H 25 4.388 4.277 0.111 1
1 228 . 20 1 1 A 25 25 SER C C 25 177.415 176.995 0.420 1
1 229 . 20 1 1 A 25 25 SER CA C 25 61.428 61.493 -0.065 1
1 230 . 20 1 1 A 25 25 SER CB C 25 63.319 62.827 0.492 1
1 231 . 20 1 1 A 25 25 SER N N 25 115.081 115.480 -0.399 1
1 232 . 20 1 1 A 26 26 PHE H H 26 9.019 9.024 -0.005 1
1 233 . 20 1 1 A 26 26 PHE HA H 26 4.201 4.550 -0.349 1
1 241 . 20 1 1 A 26 26 PHE C C 26 176.419 177.001 -0.582 1
1 242 . 20 1 1 A 26 26 PHE CA C 26 62.239 62.468 -0.229 1
1 243 . 20 1 1 A 26 26 PHE CB C 26 39.437 39.536 -0.099 1
1 249 . 20 1 1 A 26 26 PHE N N 26 120.609 123.532 -2.923 1
1 250 . 20 1 1 A 27 27 ALA H H 27 8.045 7.948 0.097 1
1 251 . 20 1 1 A 27 27 ALA HA H 27 4.062 3.993 0.069 1
1 255 . 20 1 1 A 27 27 ALA C C 27 179.478 180.013 -0.535 1
1 256 . 20 1 1 A 27 27 ALA CA C 27 53.940 55.195 -1.255 1
1 257 . 20 1 1 A 27 27 ALA CB C 27 18.395 18.412 -0.017 1
1 258 . 20 1 1 A 27 27 ALA N N 27 116.245 121.192 -4.947 1
1 259 . 20 1 1 A 28 28 GLN H H 28 7.416 7.570 -0.154 1
1 260 . 20 1 1 A 28 28 GLN HA H 28 4.198 4.161 0.037 1
1 267 . 20 1 1 A 28 28 GLN C C 28 177.124 176.106 1.018 1
1 268 . 20 1 1 A 28 28 GLN CA C 28 57.586 59.014 -1.428 1
1 269 . 20 1 1 A 28 28 GLN CB C 28 29.250 28.915 0.335 1
1 271 . 20 1 1 A 28 28 GLN N N 28 115.857 117.041 -1.184 1
1 273 . 20 1 1 A 29 29 ASN H H 29 8.006 7.659 0.347 1
1 274 . 20 1 1 A 29 29 ASN HA H 29 4.780 5.022 -0.242 1
1 279 . 20 1 1 A 29 29 ASN C C 29 172.728 174.874 -2.146 1
1 280 . 20 1 1 A 29 29 ASN CA C 29 51.028 50.756 0.272 1
1 281 . 20 1 1 A 29 29 ASN CB C 29 39.656 41.087 -1.431 1
1 282 . 20 1 1 A 29 29 ASN N N 29 114.892 114.432 0.460 1
1 284 . 20 1 1 A 30 30 PRO HA H 30 4.218 4.757 -0.539 1
1 291 . 20 1 1 A 30 30 PRO C C 30 174.525 176.625 -2.100 1
1 292 . 20 1 1 A 30 30 PRO CA C 30 63.827 64.908 -1.081 1
1 293 . 20 1 1 A 30 30 PRO CB C 30 33.212 32.257 0.955 1
1 296 . 20 1 1 A 31 31 LEU H H 31 7.568 7.956 -0.388 1
1 297 . 20 1 1 A 31 31 LEU HA H 31 4.709 4.380 0.329 1
1 307 . 20 1 1 A 31 31 LEU C C 31 172.607 174.213 -1.606 1
1 308 . 20 1 1 A 31 31 LEU CA C 31 51.944 51.687 0.257 1
1 309 . 20 1 1 A 31 31 LEU CB C 31 42.822 42.615 0.207 1
1 313 . 20 1 1 A 31 31 LEU N N 31 120.819 118.263 2.556 1
1 314 . 20 1 1 A 32 32 PRO HA H 32 4.073 4.486 -0.413 1
1 321 . 20 1 1 A 32 32 PRO C C 32 177.293 177.228 0.065 1
1 322 . 20 1 1 A 32 32 PRO CA C 32 62.627 62.787 -0.160 1
1 323 . 20 1 1 A 32 32 PRO CB C 32 31.663 32.128 -0.465 1
1 326 . 20 1 1 A 33 33 LEU H H 33 8.254 8.428 -0.174 1
1 327 . 20 1 1 A 33 33 LEU HA H 33 4.410 4.484 -0.074 1
1 337 . 20 1 1 A 33 33 LEU C C 33 178.312 177.874 0.438 1
1 338 . 20 1 1 A 33 33 LEU CA C 33 53.742 54.254 -0.512 1
1 339 . 20 1 1 A 33 33 LEU CB C 33 42.620 42.490 0.130 1
1 343 . 20 1 1 A 33 33 LEU N N 33 119.030 122.229 -3.199 1
1 344 . 20 1 1 A 34 34 ASP H H 34 8.532 8.937 -0.405 1
1 345 . 20 1 1 A 34 34 ASP HA H 34 4.187 4.175 0.012 1
1 348 . 20 1 1 A 34 34 ASP C C 34 177.731 178.016 -0.285 1
1 349 . 20 1 1 A 34 34 ASP CA C 34 58.678 58.222 0.456 1
1 350 . 20 1 1 A 34 34 ASP CB C 34 40.871 41.177 -0.306 1
1 351 . 20 1 1 A 34 34 ASP N N 34 120.283 123.671 -3.388 1
1 352 . 20 1 1 A 35 35 GLU H H 35 8.841 8.377 0.464 1
1 353 . 20 1 1 A 35 35 GLU HA H 35 4.135 4.099 0.036 1
1 358 . 20 1 1 A 35 35 GLU C C 35 178.919 178.713 0.206 1
1 359 . 20 1 1 A 35 35 GLU CA C 35 59.801 59.446 0.355 1
1 360 . 20 1 1 A 35 35 GLU CB C 35 28.860 29.320 -0.460 1
1 362 . 20 1 1 A 35 35 GLU N N 35 116.076 117.376 -1.300 1
1 363 . 20 1 1 A 36 36 GLU H H 36 7.242 8.173 -0.931 1
1 364 . 20 1 1 A 36 36 GLU HA H 36 4.762 4.083 0.679 1
1 369 . 20 1 1 A 36 36 GLU C C 36 178.264 178.905 -0.641 1
1 370 . 20 1 1 A 36 36 GLU CA C 36 57.303 59.053 -1.750 1
1 371 . 20 1 1 A 36 36 GLU CB C 36 28.799 29.333 -0.534 1
1 373 . 20 1 1 A 36 36 GLU N N 36 121.997 119.743 2.254 1
1 374 . 20 1 1 A 37 37 LEU H H 37 7.778 8.413 -0.635 1
1 375 . 20 1 1 A 37 37 LEU HA H 37 3.956 4.193 -0.237 1
1 385 . 20 1 1 A 37 37 LEU C C 37 179.381 178.862 0.519 1
1 386 . 20 1 1 A 37 37 LEU CA C 37 58.608 57.408 1.200 1
1 387 . 20 1 1 A 37 37 LEU CB C 37 41.227 40.944 0.283 1
1 391 . 20 1 1 A 37 37 LEU N N 37 120.816 119.838 0.978 1
1 392 . 20 1 1 A 38 38 ASP H H 38 8.446 8.653 -0.207 1
1 393 . 20 1 1 A 38 38 ASP HA H 38 4.455 4.369 0.086 1
1 396 . 20 1 1 A 38 38 ASP C C 38 179.162 178.531 0.631 1
1 397 . 20 1 1 A 38 38 ASP CA C 38 57.550 57.434 0.116 1
1 398 . 20 1 1 A 38 38 ASP CB C 38 40.313 41.906 -1.593 1
1 399 . 20 1 1 A 38 38 ASP N N 38 118.274 119.771 -1.497 1
1 400 . 20 1 1 A 39 39 ARG H H 39 7.964 7.958 0.006 1
1 401 . 20 1 1 A 39 39 ARG HA H 39 4.066 4.076 -0.010 1
1 409 . 20 1 1 A 39 39 ARG C C 39 179.867 178.636 1.231 1
1 410 . 20 1 1 A 39 39 ARG CA C 39 59.801 59.220 0.581 1
1 411 . 20 1 1 A 39 39 ARG CB C 39 29.849 30.364 -0.515 1
1 414 . 20 1 1 A 39 39 ARG N N 39 123.855 119.078 4.777 1
1 416 . 20 1 1 A 40 40 LEU H H 40 8.686 7.892 0.794 1
1 417 . 20 1 1 A 40 40 LEU HA H 40 4.045 3.928 0.117 1
1 427 . 20 1 1 A 40 40 LEU C C 40 180.716 179.119 1.597 1
1 428 . 20 1 1 A 40 40 LEU CA C 40 57.782 57.979 -0.197 1
1 429 . 20 1 1 A 40 40 LEU CB C 40 43.153 41.472 1.681 1
1 433 . 20 1 1 A 40 40 LEU N N 40 118.936 120.339 -1.403 1
1 434 . 20 1 1 A 41 41 ARG H H 41 8.500 8.699 -0.199 1
1 435 . 20 1 1 A 41 41 ARG HA H 41 4.078 4.106 -0.028 1
1 442 . 20 1 1 A 41 41 ARG C C 41 178.702 178.929 -0.227 1
1 443 . 20 1 1 A 41 41 ARG CA C 41 60.336 59.810 0.526 1
1 444 . 20 1 1 A 41 41 ARG CB C 41 29.767 29.904 -0.137 1
1 447 . 20 1 1 A 41 41 ARG N N 41 125.386 118.734 6.652 1
1 448 . 20 1 1 A 42 42 SER H H 42 7.762 8.047 -0.285 1
1 449 . 20 1 1 A 42 42 SER HA H 42 4.238 4.127 0.111 1
1 452 . 20 1 1 A 42 42 SER C C 42 176.030 176.055 -0.025 1
1 453 . 20 1 1 A 42 42 SER CA C 42 61.535 61.719 -0.184 1
1 454 . 20 1 1 A 42 42 SER CB C 42 62.892 63.026 -0.134 1
1 455 . 20 1 1 A 42 42 SER N N 42 114.493 116.875 -2.382 1
1 456 . 20 1 1 A 43 43 GLU H H 43 8.031 7.853 0.178 1
1 457 . 20 1 1 A 43 43 GLU HA H 43 4.220 4.208 0.012 1
1 462 . 20 1 1 A 43 43 GLU C C 43 178.264 178.997 -0.733 1
1 463 . 20 1 1 A 43 43 GLU CA C 43 58.855 58.904 -0.049 1
1 464 . 20 1 1 A 43 43 GLU CB C 43 30.959 30.222 0.737 1
1 466 . 20 1 1 A 43 43 GLU N N 43 118.451 121.118 -2.667 1
1 467 . 20 1 1 A 44 44 THR H H 44 8.387 8.309 0.078 1
1 468 . 20 1 1 A 44 44 THR HA H 44 4.333 4.066 0.267 1
1 473 . 20 1 1 A 44 44 THR C C 44 175.787 174.899 0.888 1
1 474 . 20 1 1 A 44 44 THR CA C 44 63.333 64.092 -0.759 1
1 475 . 20 1 1 A 44 44 THR CB C 44 72.112 69.958 2.154 1
1 477 . 20 1 1 A 44 44 THR N N 44 105.689 111.505 -5.816 1
1 478 . 20 1 1 A 45 45 LYS H H 45 7.962 7.920 0.042 1
1 479 . 20 1 1 A 45 45 LYS HA H 45 4.042 4.122 -0.080 1
1 488 . 20 1 1 A 45 45 LYS C C 45 176.298 174.716 1.582 1
1 489 . 20 1 1 A 45 45 LYS CA C 45 57.934 57.359 0.575 1
1 490 . 20 1 1 A 45 45 LYS CB C 45 29.024 29.189 -0.165 1
1 494 . 20 1 1 A 45 45 LYS N N 45 115.260 116.774 -1.514 1
1 495 . 20 1 1 A 46 46 MET H H 46 7.750 7.483 0.267 1
1 496 . 20 1 1 A 46 46 MET HA H 46 4.498 5.057 -0.559 1
1 504 . 20 1 1 A 46 46 MET C C 46 176.127 175.397 0.730 1
1 505 . 20 1 1 A 46 46 MET CA C 46 55.788 54.177 1.611 1
1 506 . 20 1 1 A 46 46 MET CB C 46 36.233 37.898 -1.665 1
1 509 . 20 1 1 A 46 46 MET N N 46 119.026 116.036 2.990 1
1 510 . 20 1 1 A 47 47 THR H H 47 8.712 8.500 0.212 1
1 511 . 20 1 1 A 47 47 THR HA H 47 4.376 4.770 -0.394 1
1 516 . 20 1 1 A 47 47 THR C C 47 175.812 176.315 -0.503 1
1 517 . 20 1 1 A 47 47 THR CA C 47 61.011 60.183 0.828 1
1 518 . 20 1 1 A 47 47 THR CB C 47 70.885 71.527 -0.642 1
1 520 . 20 1 1 A 47 47 THR N N 47 109.504 111.503 -1.999 1
1 521 . 20 1 1 A 48 48 ARG H H 48 9.074 8.965 0.109 1
1 522 . 20 1 1 A 48 48 ARG HA H 48 3.910 3.968 -0.058 1
1 530 . 20 1 1 A 48 48 ARG C C 48 178.119 177.919 0.200 1
1 531 . 20 1 1 A 48 48 ARG CA C 48 59.242 60.432 -1.190 1
1 532 . 20 1 1 A 48 48 ARG CB C 48 29.189 30.004 -0.815 1
1 535 . 20 1 1 A 48 48 ARG N N 48 120.559 122.161 -1.602 1
1 537 . 20 1 1 A 49 49 ARG H H 49 8.384 8.237 0.147 1
1 538 . 20 1 1 A 49 49 ARG HA H 49 4.237 4.085 0.152 1
1 545 . 20 1 1 A 49 49 ARG C C 49 179.478 178.667 0.811 1
1 546 . 20 1 1 A 49 49 ARG CA C 49 59.419 58.989 0.430 1
1 547 . 20 1 1 A 49 49 ARG CB C 49 30.014 30.226 -0.212 1
1 550 . 20 1 1 A 49 49 ARG N N 49 117.267 118.220 -0.953 1
1 551 . 20 1 1 A 50 50 GLU H H 50 7.869 7.914 -0.045 1
1 552 . 20 1 1 A 50 50 GLU HA H 50 4.073 4.098 -0.025 1
1 557 . 20 1 1 A 50 50 GLU C C 50 180.036 179.411 0.625 1
1 558 . 20 1 1 A 50 50 GLU CA C 50 59.419 58.862 0.557 1
1 559 . 20 1 1 A 50 50 GLU CB C 50 30.672 29.424 1.248 1
1 561 . 20 1 1 A 50 50 GLU N N 50 119.568 118.874 0.694 1
1 562 . 20 1 1 A 51 51 ILE H H 51 8.451 8.499 -0.048 1
1 563 . 20 1 1 A 51 51 ILE HA H 51 3.795 3.614 0.181 1
1 573 . 20 1 1 A 51 51 ILE C C 51 177.706 177.961 -0.255 1
1 574 . 20 1 1 A 51 51 ILE CA C 51 66.329 65.797 0.532 1
1 575 . 20 1 1 A 51 51 ILE CB C 51 38.715 38.322 0.393 1
1 579 . 20 1 1 A 51 51 ILE N N 51 122.516 121.305 1.211 1
1 580 . 20 1 1 A 52 52 ASP H H 52 9.078 8.780 0.298 1
1 581 . 20 1 1 A 52 52 ASP HA H 52 4.561 4.571 -0.010 1
1 584 . 20 1 1 A 52 52 ASP C C 52 180.085 178.281 1.804 1
1 585 . 20 1 1 A 52 52 ASP CA C 52 58.249 57.702 0.547 1
1 586 . 20 1 1 A 52 52 ASP CB C 52 40.908 41.374 -0.466 1
1 587 . 20 1 1 A 52 52 ASP N N 52 121.201 121.060 0.141 1
1 588 . 20 1 1 A 53 53 SER H H 53 8.298 8.108 0.190 1
1 589 . 20 1 1 A 53 53 SER HA H 53 4.362 4.175 0.187 1
1 592 . 20 1 1 A 53 53 SER C C 53 175.934 176.933 -0.999 1
1 593 . 20 1 1 A 53 53 SER CA C 53 61.928 61.275 0.653 1
1 594 . 20 1 1 A 53 53 SER CB C 53 62.974 63.252 -0.278 1
1 595 . 20 1 1 A 53 53 SER N N 53 114.616 113.683 0.933 1
1 596 . 20 1 1 A 54 54 TRP H H 54 8.315 8.078 0.237 1
1 597 . 20 1 1 A 54 54 TRP HA H 54 3.993 4.345 -0.352 1
1 606 . 20 1 1 A 54 54 TRP C C 54 179.453 177.763 1.690 1
1 607 . 20 1 1 A 54 54 TRP CA C 54 63.191 61.359 1.832 1
1 608 . 20 1 1 A 54 54 TRP CB C 54 28.777 30.327 -1.550 1
1 614 . 20 1 1 A 54 54 TRP N N 54 123.444 124.163 -0.719 1
1 616 . 20 1 1 A 55 55 PHE H H 55 9.110 8.184 0.926 1
1 617 . 20 1 1 A 55 55 PHE HA H 55 3.880 4.084 -0.204 1
1 625 . 20 1 1 A 55 55 PHE C C 55 178.119 178.307 -0.188 1
1 626 . 20 1 1 A 55 55 PHE CA C 55 63.563 61.590 1.973 1
1 627 . 20 1 1 A 55 55 PHE CB C 55 39.721 39.218 0.503 1
1 633 . 20 1 1 A 55 55 PHE N N 55 119.065 118.561 0.504 1
1 634 . 20 1 1 A 56 56 SER H H 56 8.330 8.345 -0.015 1
1 635 . 20 1 1 A 56 56 SER HA H 56 4.173 4.287 -0.114 1
1 638 . 20 1 1 A 56 56 SER C C 56 177.851 175.485 2.366 1
1 639 . 20 1 1 A 56 56 SER CA C 56 61.958 61.025 0.933 1
1 640 . 20 1 1 A 56 56 SER CB C 56 62.727 62.669 0.058 1
1 641 . 20 1 1 A 56 56 SER N N 56 113.028 114.447 -1.419 1
1 642 . 20 1 1 A 57 57 GLU H H 57 8.070 8.027 0.043 1
1 643 . 20 1 1 A 57 57 GLU HA H 57 3.922 4.303 -0.381 1
1 648 . 20 1 1 A 57 57 GLU C C 57 178.895 177.818 1.077 1
1 649 . 20 1 1 A 57 57 GLU CA C 57 58.629 57.072 1.557 1
1 650 . 20 1 1 A 57 57 GLU CB C 57 29.107 30.115 -1.008 1
1 652 . 20 1 1 A 57 57 GLU N N 57 119.996 119.501 0.495 1
1 653 . 20 1 1 A 58 58 ARG H H 58 8.048 7.904 0.144 1
1 654 . 20 1 1 A 58 58 ARG HA H 58 3.489 3.713 -0.224 1
1 662 . 20 1 1 A 58 58 ARG C C 58 179.186 178.131 1.055 1
1 663 . 20 1 1 A 58 58 ARG CA C 58 56.770 58.106 -1.336 1
1 664 . 20 1 1 A 58 58 ARG CB C 58 28.145 29.345 -1.200 1
1 667 . 20 1 1 A 58 58 ARG N N 58 122.160 120.893 1.267 1
1 669 . 20 1 1 A 59 59 ARG H H 59 8.093 8.205 -0.112 1
1 670 . 20 1 1 A 59 59 ARG HA H 59 4.212 4.161 0.051 1
1 677 . 20 1 1 A 59 59 ARG C C 59 178.458 177.436 1.022 1
1 678 . 20 1 1 A 59 59 ARG CA C 59 60.019 58.749 1.270 1
1 679 . 20 1 1 A 59 59 ARG CB C 59 31.689 29.758 1.931 1
1 682 . 20 1 1 A 59 59 ARG N N 59 116.818 117.714 -0.896 1
1 683 . 20 1 1 A 60 60 LYS H H 60 7.418 7.908 -0.490 1
1 684 . 20 1 1 A 60 60 LYS HA H 60 4.154 4.073 0.081 1
1 693 . 20 1 1 A 60 60 LYS C C 60 177.803 179.019 -1.216 1
1 694 . 20 1 1 A 60 60 LYS CA C 60 58.327 59.040 -0.713 1
1 695 . 20 1 1 A 60 60 LYS CB C 60 32.651 32.058 0.593 1
1 699 . 20 1 1 A 60 60 LYS N N 60 117.893 118.353 -0.460 1
1 700 . 20 1 1 A 61 61 LYS H H 61 7.510 7.843 -0.333 1
1 701 . 20 1 1 A 61 61 LYS HA H 61 4.177 4.072 0.105 1
1 710 . 20 1 1 A 61 61 LYS C C 61 177.317 179.050 -1.733 1
1 711 . 20 1 1 A 61 61 LYS CA C 61 57.516 58.698 -1.182 1
1 712 . 20 1 1 A 61 61 LYS CB C 61 32.809 31.849 0.960 1
1 716 . 20 1 1 A 61 61 LYS N N 61 119.359 119.564 -0.205 1
1 717 . 20 1 1 A 62 62 VAL H H 62 7.805 7.222 0.583 1
1 718 . 20 1 1 A 62 62 VAL HA H 62 4.013 3.728 0.285 1
1 726 . 20 1 1 A 62 62 VAL C C 62 176.784 177.920 -1.136 1
1 727 . 20 1 1 A 62 62 VAL CA C 62 63.755 66.138 -2.383 1
1 728 . 20 1 1 A 62 62 VAL CB C 62 32.365 31.826 0.539 1
1 731 . 20 1 1 A 62 62 VAL N N 62 119.337 120.467 -1.130 1
1 732 . 20 1 1 A 63 63 ASN H H 63 8.282 8.012 0.270 1
1 733 . 20 1 1 A 63 63 ASN HA H 63 4.700 4.452 0.248 1
1 738 . 20 1 1 A 63 63 ASN C C 63 175.594 176.749 -1.155 1
1 739 . 20 1 1 A 63 63 ASN CA C 63 53.962 56.160 -2.198 1
1 740 . 20 1 1 A 63 63 ASN CB C 63 38.913 38.094 0.819 1
1 741 . 20 1 1 A 63 63 ASN N N 63 120.443 118.829 1.614 1
1 743 . 20 1 1 A 64 64 ALA H H 64 8.225 7.562 0.663 1
1 744 . 20 1 1 A 64 64 ALA HA H 64 4.290 4.388 -0.098 1
1 748 . 20 1 1 A 64 64 ALA C C 64 178.312 176.546 1.766 1
1 749 . 20 1 1 A 64 64 ALA CA C 64 53.319 51.949 1.370 1
1 750 . 20 1 1 A 64 64 ALA CB C 64 19.055 18.596 0.459 1
1 751 . 20 1 1 A 64 64 ALA N N 64 123.747 118.866 4.881 1
1 752 . 20 1 1 A 65 65 GLU H H 65 8.262 7.501 0.761 1
1 753 . 20 1 1 A 65 65 GLU HA H 65 4.233 4.178 0.055 1
1 758 . 20 1 1 A 65 65 GLU C C 65 177.244 176.960 0.284 1
1 759 . 20 1 1 A 65 65 GLU CA C 65 57.269 56.339 0.930 1
1 760 . 20 1 1 A 65 65 GLU CB C 65 30.114 30.625 -0.511 1
1 762 . 20 1 1 A 65 65 GLU N N 65 118.780 120.551 -1.771 1
1 763 . 20 1 1 A 66 66 GLU H H 66 8.327 9.055 -0.728 1
1 764 . 20 1 1 A 66 66 GLU HA H 66 4.301 3.906 0.395 1
1 769 . 20 1 1 A 66 66 GLU C C 66 177.244 175.531 1.713 1
1 770 . 20 1 1 A 66 66 GLU CA C 66 57.197 57.304 -0.107 1
1 771 . 20 1 1 A 66 66 GLU CB C 66 30.227 28.315 1.912 1
1 773 . 20 1 1 A 66 66 GLU N N 66 120.955 124.855 -3.900 1
1 774 . 20 1 1 A 67 67 THR H H 67 8.135 7.696 0.439 1
1 775 . 20 1 1 A 67 67 THR HA H 67 4.280 4.901 -0.621 1
1 780 . 20 1 1 A 67 67 THR C C 67 174.816 173.441 1.375 1
1 781 . 20 1 1 A 67 67 THR CA C 67 62.615 59.950 2.665 1
1 782 . 20 1 1 A 67 67 THR CB C 67 69.648 71.400 -1.752 1
1 784 . 20 1 1 A 67 67 THR N N 67 114.856 112.934 1.922 1
1 785 . 20 1 1 A 68 68 LYS H H 68 8.202 8.314 -0.112 1
1 786 . 20 1 1 A 68 68 LYS HA H 68 4.327 4.258 0.069 1
1 795 . 20 1 1 A 68 68 LYS C C 68 176.637 175.534 1.103 1
1 796 . 20 1 1 A 68 68 LYS CA C 68 56.599 56.390 0.209 1
1 797 . 20 1 1 A 68 68 LYS CB C 68 32.898 32.776 0.122 1
1 801 . 20 1 1 A 68 68 LYS N N 68 123.462 122.097 1.365 1
1 802 . 20 1 1 A 69 69 LYS H H 69 8.300 8.369 -0.069 1
1 803 . 20 1 1 A 69 69 LYS HA H 69 4.375 4.570 -0.195 1
1 812 . 20 1 1 A 69 69 LYS C C 69 176.661 174.347 2.314 1
1 813 . 20 1 1 A 69 69 LYS CA C 69 56.458 55.877 0.581 1
1 814 . 20 1 1 A 69 69 LYS CB C 69 33.145 35.577 -2.432 1
1 818 . 20 1 1 A 69 69 LYS N N 69 122.321 123.312 -0.991 1
1 819 . 20 1 1 A 70 70 SER H H 70 8.330 8.735 -0.405 1
1 820 . 20 1 1 A 70 70 SER HA H 70 4.536 4.203 0.333 1
1 823 . 20 1 1 A 70 70 SER C C 70 174.525 175.380 -0.855 1
1 824 . 20 1 1 A 70 70 SER CA C 70 58.361 59.711 -1.350 1
1 825 . 20 1 1 A 70 70 SER CB C 70 64.022 62.874 1.148 1
1 826 . 20 1 1 A 70 70 SER N N 70 116.687 119.779 -3.092 1
1 827 . 20 1 1 A 71 71 GLY H H 71 8.250 8.854 -0.604 1
1 828 . 20 1 1 A 71 71 GLY C C 71 171.782 174.683 -2.901 1
1 829 . 20 1 1 A 71 71 GLY CA C 71 44.717 46.170 -1.453 1
1 830 . 20 1 1 A 71 71 GLY N N 71 110.366 114.701 -4.335 1
1 831 . 20 1 1 A 72 72 PRO HA H 72 4.141 4.636 -0.495 1
1 832 . 20 1 1 A 74 74 SER HA H 74 4.526 4.647 -0.121 1
1 835 . 20 1 1 A 74 74 SER C C 74 173.918 174.356 -0.438 1
1 836 . 20 1 1 A 74 74 SER CA C 74 58.528 58.972 -0.444 1
1 837 . 20 1 1 A 74 74 SER CB C 74 63.972 64.118 -0.146 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 65 1.073 1
2 1 1 1 "RMS(OBS, PRED)" CA 66 1.118 1
3 1 1 1 "RMS(OBS, PRED)" CB 64 0.980 1
4 1 1 1 "RMS(OBS, PRED)" H 60 0.484 1
5 1 1 1 "RMS(OBS, PRED)" HA 66 0.273 1
6 1 1 1 "RMS(OBS, PRED)" N 60 2.273 1
7 1 2 1 "RMS(OBS, PRED)" C 65 1.111 1
8 1 2 1 "RMS(OBS, PRED)" CA 66 1.231 1
9 1 2 1 "RMS(OBS, PRED)" CB 64 1.439 1
10 1 2 1 "RMS(OBS, PRED)" H 60 0.455 1
11 1 2 1 "RMS(OBS, PRED)" HA 66 0.333 1
12 1 2 1 "RMS(OBS, PRED)" N 60 2.336 1
13 1 3 1 "RMS(OBS, PRED)" C 65 0.994 1
14 1 3 1 "RMS(OBS, PRED)" CA 66 1.200 1
15 1 3 1 "RMS(OBS, PRED)" CB 64 1.206 1
16 1 3 1 "RMS(OBS, PRED)" H 60 0.431 1
17 1 3 1 "RMS(OBS, PRED)" HA 66 0.272 1
18 1 3 1 "RMS(OBS, PRED)" N 60 2.466 1
19 1 4 1 "RMS(OBS, PRED)" C 65 1.078 1
20 1 4 1 "RMS(OBS, PRED)" CA 66 1.173 1
21 1 4 1 "RMS(OBS, PRED)" CB 64 1.213 1
22 1 4 1 "RMS(OBS, PRED)" H 60 0.480 1
23 1 4 1 "RMS(OBS, PRED)" HA 66 0.283 1
24 1 4 1 "RMS(OBS, PRED)" N 60 2.536 1
25 1 5 1 "RMS(OBS, PRED)" C 65 1.098 1
26 1 5 1 "RMS(OBS, PRED)" CA 66 1.194 1
27 1 5 1 "RMS(OBS, PRED)" CB 64 1.050 1
28 1 5 1 "RMS(OBS, PRED)" H 60 0.424 1
29 1 5 1 "RMS(OBS, PRED)" HA 66 0.289 1
30 1 5 1 "RMS(OBS, PRED)" N 60 2.524 1
31 1 6 1 "RMS(OBS, PRED)" C 65 1.114 1
32 1 6 1 "RMS(OBS, PRED)" CA 66 1.143 1
33 1 6 1 "RMS(OBS, PRED)" CB 64 1.088 1
34 1 6 1 "RMS(OBS, PRED)" H 60 0.458 1
35 1 6 1 "RMS(OBS, PRED)" HA 66 0.298 1
36 1 6 1 "RMS(OBS, PRED)" N 60 2.698 1
37 1 7 1 "RMS(OBS, PRED)" C 65 1.068 1
38 1 7 1 "RMS(OBS, PRED)" CA 66 1.127 1
39 1 7 1 "RMS(OBS, PRED)" CB 64 1.145 1
40 1 7 1 "RMS(OBS, PRED)" H 60 0.445 1
41 1 7 1 "RMS(OBS, PRED)" HA 66 0.293 1
42 1 7 1 "RMS(OBS, PRED)" N 60 2.401 1
43 1 8 1 "RMS(OBS, PRED)" C 65 1.164 1
44 1 8 1 "RMS(OBS, PRED)" CA 66 1.146 1
45 1 8 1 "RMS(OBS, PRED)" CB 64 1.338 1
46 1 8 1 "RMS(OBS, PRED)" H 60 0.438 1
47 1 8 1 "RMS(OBS, PRED)" HA 66 0.286 1
48 1 8 1 "RMS(OBS, PRED)" N 60 2.265 1
49 1 9 1 "RMS(OBS, PRED)" C 65 1.128 1
50 1 9 1 "RMS(OBS, PRED)" CA 66 1.219 1
51 1 9 1 "RMS(OBS, PRED)" CB 64 1.171 1
52 1 9 1 "RMS(OBS, PRED)" H 60 0.431 1
53 1 9 1 "RMS(OBS, PRED)" HA 66 0.283 1
54 1 9 1 "RMS(OBS, PRED)" N 60 2.463 1
55 1 10 1 "RMS(OBS, PRED)" C 65 1.104 1
56 1 10 1 "RMS(OBS, PRED)" CA 66 1.170 1
57 1 10 1 "RMS(OBS, PRED)" CB 64 1.291 1
58 1 10 1 "RMS(OBS, PRED)" H 60 0.462 1
59 1 10 1 "RMS(OBS, PRED)" HA 66 0.328 1
60 1 10 1 "RMS(OBS, PRED)" N 60 2.656 1
61 1 11 1 "RMS(OBS, PRED)" C 65 1.105 1
62 1 11 1 "RMS(OBS, PRED)" CA 66 1.095 1
63 1 11 1 "RMS(OBS, PRED)" CB 64 1.181 1
64 1 11 1 "RMS(OBS, PRED)" H 60 0.415 1
65 1 11 1 "RMS(OBS, PRED)" HA 66 0.278 1
66 1 11 1 "RMS(OBS, PRED)" N 60 2.455 1
67 1 12 1 "RMS(OBS, PRED)" C 65 1.176 1
68 1 12 1 "RMS(OBS, PRED)" CA 66 1.044 1
69 1 12 1 "RMS(OBS, PRED)" CB 64 1.059 1
70 1 12 1 "RMS(OBS, PRED)" H 60 0.468 1
71 1 12 1 "RMS(OBS, PRED)" HA 66 0.271 1
72 1 12 1 "RMS(OBS, PRED)" N 60 2.475 1
73 1 13 1 "RMS(OBS, PRED)" C 65 1.121 1
74 1 13 1 "RMS(OBS, PRED)" CA 66 1.132 1
75 1 13 1 "RMS(OBS, PRED)" CB 64 1.140 1
76 1 13 1 "RMS(OBS, PRED)" H 60 0.465 1
77 1 13 1 "RMS(OBS, PRED)" HA 66 0.260 1
78 1 13 1 "RMS(OBS, PRED)" N 60 2.679 1
79 1 14 1 "RMS(OBS, PRED)" C 65 1.171 1
80 1 14 1 "RMS(OBS, PRED)" CA 66 1.159 1
81 1 14 1 "RMS(OBS, PRED)" CB 64 1.282 1
82 1 14 1 "RMS(OBS, PRED)" H 60 0.488 1
83 1 14 1 "RMS(OBS, PRED)" HA 66 0.302 1
84 1 14 1 "RMS(OBS, PRED)" N 60 2.657 1
85 1 15 1 "RMS(OBS, PRED)" C 65 1.063 1
86 1 15 1 "RMS(OBS, PRED)" CA 66 1.071 1
87 1 15 1 "RMS(OBS, PRED)" CB 64 0.950 1
88 1 15 1 "RMS(OBS, PRED)" H 60 0.478 1
89 1 15 1 "RMS(OBS, PRED)" HA 66 0.256 1
90 1 15 1 "RMS(OBS, PRED)" N 60 2.355 1
91 1 16 1 "RMS(OBS, PRED)" C 65 1.069 1
92 1 16 1 "RMS(OBS, PRED)" CA 66 1.106 1
93 1 16 1 "RMS(OBS, PRED)" CB 64 1.190 1
94 1 16 1 "RMS(OBS, PRED)" H 60 0.412 1
95 1 16 1 "RMS(OBS, PRED)" HA 66 0.291 1
96 1 16 1 "RMS(OBS, PRED)" N 60 2.382 1
97 1 17 1 "RMS(OBS, PRED)" C 65 1.070 1
98 1 17 1 "RMS(OBS, PRED)" CA 66 1.216 1
99 1 17 1 "RMS(OBS, PRED)" CB 64 1.114 1
100 1 17 1 "RMS(OBS, PRED)" H 60 0.462 1
101 1 17 1 "RMS(OBS, PRED)" HA 66 0.272 1
102 1 17 1 "RMS(OBS, PRED)" N 60 2.476 1
103 1 18 1 "RMS(OBS, PRED)" C 65 1.106 1
104 1 18 1 "RMS(OBS, PRED)" CA 66 1.172 1
105 1 18 1 "RMS(OBS, PRED)" CB 64 1.211 1
106 1 18 1 "RMS(OBS, PRED)" H 60 0.451 1
107 1 18 1 "RMS(OBS, PRED)" HA 66 0.306 1
108 1 18 1 "RMS(OBS, PRED)" N 60 2.653 1
109 1 19 1 "RMS(OBS, PRED)" C 65 1.073 1
110 1 19 1 "RMS(OBS, PRED)" CA 66 1.214 1
111 1 19 1 "RMS(OBS, PRED)" CB 64 1.153 1
112 1 19 1 "RMS(OBS, PRED)" H 60 0.447 1
113 1 19 1 "RMS(OBS, PRED)" HA 66 0.277 1
114 1 19 1 "RMS(OBS, PRED)" N 60 2.901 1
115 1 20 1 "RMS(OBS, PRED)" C 65 1.157 1
116 1 20 1 "RMS(OBS, PRED)" CA 66 1.060 1
117 1 20 1 "RMS(OBS, PRED)" CB 64 1.076 1
118 1 20 1 "RMS(OBS, PRED)" H 60 0.423 1
119 1 20 1 "RMS(OBS, PRED)" HA 66 0.262 1
120 1 20 1 "RMS(OBS, PRED)" N 60 2.461 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 7 7 GLY HA2 H 7 4.146 4.092 0.054 2
1 2 . 1 1 A 7 7 GLY CA C 7 44.691 45.358 -0.667 2
1 3 . 1 1 A 8 8 PRO HA H 8 4.512 4.570 -0.058 2
1 10 . 1 1 A 8 8 PRO C C 8 177.365 176.330 1.035 2
1 11 . 1 1 A 8 8 PRO CA C 8 63.297 62.965 0.332 2
1 12 . 1 1 A 8 8 PRO CB C 8 32.239 32.050 0.189 2
1 15 . 1 1 A 9 9 THR H H 9 8.295 8.276 0.019 2
1 16 . 1 1 A 9 9 THR HA H 9 4.271 4.521 -0.250 2
1 21 . 1 1 A 9 9 THR C C 9 174.452 173.761 0.691 2
1 22 . 1 1 A 9 9 THR CA C 9 62.276 61.574 0.702 2
1 23 . 1 1 A 9 9 THR CB C 9 69.790 69.727 0.063 2
1 25 . 1 1 A 9 9 THR N N 9 114.885 114.188 0.697 2
1 26 . 1 1 A 10 10 LYS H H 10 8.284 8.249 0.035 2
1 27 . 1 1 A 10 10 LYS HA H 10 4.281 4.520 -0.239 2
1 35 . 1 1 A 10 10 LYS C C 10 176.103 175.447 0.656 2
1 36 . 1 1 A 10 10 LYS CA C 10 56.316 55.124 1.192 2
1 37 . 1 1 A 10 10 LYS CB C 10 33.062 34.911 -1.849 2
1 41 . 1 1 A 10 10 LYS N N 10 123.812 124.072 -0.260 2
1 42 . 1 1 A 11 11 TYR H H 11 8.198 8.811 -0.613 2
1 43 . 1 1 A 11 11 TYR HA H 11 4.569 4.727 -0.158 2
1 50 . 1 1 A 11 11 TYR C C 11 175.496 175.415 0.081 2
1 51 . 1 1 A 11 11 TYR CA C 11 58.044 58.123 -0.079 2
1 52 . 1 1 A 11 11 TYR CB C 11 38.842 39.546 -0.704 2
1 57 . 1 1 A 11 11 TYR N N 11 121.375 121.098 0.277 2
1 58 . 1 1 A 12 12 LYS H H 12 8.168 8.199 -0.031 2
1 59 . 1 1 A 12 12 LYS HA H 12 4.255 4.738 -0.483 2
1 68 . 1 1 A 12 12 LYS C C 12 175.861 175.290 0.571 2
1 69 . 1 1 A 12 12 LYS CA C 12 56.050 55.473 0.577 2
1 70 . 1 1 A 12 12 LYS CB C 12 33.145 34.761 -1.616 2
1 74 . 1 1 A 12 12 LYS N N 12 123.375 120.040 3.335 2
1 75 . 1 1 A 13 13 GLU H H 13 8.386 8.655 -0.269 2
1 76 . 1 1 A 13 13 GLU HA H 13 4.285 4.829 -0.544 2
1 81 . 1 1 A 13 13 GLU C C 13 176.419 175.696 0.722 2
1 82 . 1 1 A 13 13 GLU CA C 13 56.519 55.111 1.408 2
1 83 . 1 1 A 13 13 GLU CB C 13 30.261 32.632 -2.371 2
1 85 . 1 1 A 13 13 GLU N N 13 122.385 121.822 0.563 2
1 86 . 1 1 A 14 14 ARG H H 14 8.451 8.505 -0.054 2
1 87 . 1 1 A 14 14 ARG HA H 14 4.424 4.491 -0.067 2
1 94 . 1 1 A 14 14 ARG C C 14 175.230 176.121 -0.891 2
1 95 . 1 1 A 14 14 ARG CA C 14 55.188 56.076 -0.888 2
1 96 . 1 1 A 14 14 ARG CB C 14 31.003 31.429 -0.426 2
1 99 . 1 1 A 14 14 ARG N N 14 121.822 123.164 -1.342 2
1 100 . 1 1 A 15 15 ALA H H 15 8.444 8.475 -0.031 2
1 101 . 1 1 A 15 15 ALA HA H 15 4.633 4.621 0.012 2
1 105 . 1 1 A 15 15 ALA C C 15 176.808 177.679 -0.871 2
1 106 . 1 1 A 15 15 ALA CA C 15 50.852 50.667 0.185 2
1 107 . 1 1 A 15 15 ALA CB C 15 17.938 18.552 -0.614 2
1 108 . 1 1 A 15 15 ALA N N 15 125.225 123.434 1.791 2
1 109 . 1 1 A 16 16 PRO HA H 16 4.240 4.428 -0.188 2
1 116 . 1 1 A 16 16 PRO C C 16 178.993 178.048 0.945 2
1 117 . 1 1 A 16 16 PRO CA C 16 65.731 64.623 1.108 2
1 118 . 1 1 A 16 16 PRO CB C 16 31.966 31.965 0.001 2
1 121 . 1 1 A 17 17 GLU H H 17 9.453 8.470 0.983 2
1 122 . 1 1 A 17 17 GLU HA H 17 4.051 4.101 -0.050 2
1 127 . 1 1 A 17 17 GLU C C 17 179.550 179.205 0.345 2
1 128 . 1 1 A 17 17 GLU CA C 17 59.568 59.435 0.133 2
1 129 . 1 1 A 17 17 GLU CB C 17 28.613 29.680 -1.067 2
1 131 . 1 1 A 17 17 GLU N N 17 116.527 117.618 -1.091 2
1 132 . 1 1 A 18 18 GLN H H 18 7.529 7.976 -0.447 2
1 133 . 1 1 A 18 18 GLN HA H 18 4.036 3.957 0.079 2
1 140 . 1 1 A 18 18 GLN C C 18 176.977 178.368 -1.391 2
1 141 . 1 1 A 18 18 GLN CA C 18 58.785 58.689 0.096 2
1 142 . 1 1 A 18 18 GLN CB C 18 28.860 28.340 0.520 2
1 144 . 1 1 A 18 18 GLN N N 18 119.048 119.456 -0.408 2
1 146 . 1 1 A 19 19 LEU H H 19 7.664 8.062 -0.398 2
1 147 . 1 1 A 19 19 LEU HA H 19 3.755 3.674 0.081 2
1 157 . 1 1 A 19 19 LEU C C 19 178.410 178.734 -0.324 2
1 158 . 1 1 A 19 19 LEU CA C 19 57.516 57.633 -0.117 2
1 159 . 1 1 A 19 19 LEU CB C 19 41.276 41.509 -0.233 2
1 163 . 1 1 A 19 19 LEU N N 19 117.171 120.476 -3.305 2
1 164 . 1 1 A 20 20 ARG H H 20 8.188 7.972 0.216 2
1 165 . 1 1 A 20 20 ARG HA H 20 3.998 3.953 0.045 2
1 172 . 1 1 A 20 20 ARG C C 20 178.993 178.239 0.754 2
1 173 . 1 1 A 20 20 ARG CA C 20 59.333 59.486 -0.153 2
1 174 . 1 1 A 20 20 ARG CB C 20 30.096 29.999 0.097 2
1 177 . 1 1 A 20 20 ARG N N 20 117.090 119.234 -2.144 2
1 178 . 1 1 A 21 21 ALA H H 21 7.176 7.768 -0.592 2
1 179 . 1 1 A 21 21 ALA HA H 21 4.092 4.106 -0.014 2
1 183 . 1 1 A 21 21 ALA C C 21 180.571 179.921 0.650 2
1 184 . 1 1 A 21 21 ALA CA C 21 54.941 54.627 0.314 2
1 185 . 1 1 A 21 21 ALA CB C 21 17.858 18.469 -0.611 2
1 186 . 1 1 A 21 21 ALA N N 21 121.201 121.259 -0.058 2
1 187 . 1 1 A 22 22 LEU H H 22 7.528 7.938 -0.410 2
1 188 . 1 1 A 22 22 LEU HA H 22 3.576 3.654 -0.078 2
1 198 . 1 1 A 22 22 LEU C C 22 177.779 178.540 -0.761 2
1 199 . 1 1 A 22 22 LEU CA C 22 58.185 57.889 0.296 2
1 200 . 1 1 A 22 22 LEU CB C 22 38.666 40.737 -2.071 2
1 204 . 1 1 A 22 22 LEU N N 22 119.669 119.115 0.554 2
1 205 . 1 1 A 23 23 GLU H H 23 8.516 8.462 0.054 2
1 206 . 1 1 A 23 23 GLU HA H 23 4.221 4.184 0.037 2
1 211 . 1 1 A 23 23 GLU C C 23 180.352 179.140 1.212 2
1 212 . 1 1 A 23 23 GLU CA C 23 59.489 60.096 -0.607 2
1 213 . 1 1 A 23 23 GLU CB C 23 29.317 29.482 -0.165 2
1 215 . 1 1 A 23 23 GLU N N 23 117.420 117.626 -0.206 2
1 216 . 1 1 A 24 24 SER H H 24 8.209 7.791 0.418 2
1 217 . 1 1 A 24 24 SER HA H 24 4.303 4.198 0.105 2
1 220 . 1 1 A 24 24 SER C C 24 176.710 177.077 -0.367 2
1 221 . 1 1 A 24 24 SER CA C 24 61.852 61.748 0.104 2
1 222 . 1 1 A 24 24 SER CB C 24 62.767 62.997 -0.230 2
1 223 . 1 1 A 24 24 SER N N 24 114.551 115.970 -1.419 2
1 224 . 1 1 A 25 25 SER H H 25 7.396 8.019 -0.623 2
1 225 . 1 1 A 25 25 SER HA H 25 4.388 4.296 0.092 2
1 228 . 1 1 A 25 25 SER C C 25 177.415 176.960 0.455 2
1 229 . 1 1 A 25 25 SER CA C 25 61.428 61.412 0.016 2
1 230 . 1 1 A 25 25 SER CB C 25 63.319 62.956 0.364 2
1 231 . 1 1 A 25 25 SER N N 25 115.081 115.780 -0.699 2
1 232 . 1 1 A 26 26 PHE H H 26 9.019 8.924 0.095 2
1 233 . 1 1 A 26 26 PHE HA H 26 4.201 4.582 -0.381 2
1 241 . 1 1 A 26 26 PHE C C 26 176.419 177.101 -0.682 2
1 242 . 1 1 A 26 26 PHE CA C 26 62.239 62.322 -0.083 2
1 243 . 1 1 A 26 26 PHE CB C 26 39.437 39.433 0.004 2
1 249 . 1 1 A 26 26 PHE N N 26 120.609 123.306 -2.697 2
1 250 . 1 1 A 27 27 ALA H H 27 8.045 8.042 0.003 2
1 251 . 1 1 A 27 27 ALA HA H 27 4.062 4.012 0.050 2
1 255 . 1 1 A 27 27 ALA C C 27 179.478 179.791 -0.313 2
1 256 . 1 1 A 27 27 ALA CA C 27 53.940 55.145 -1.205 2
1 257 . 1 1 A 27 27 ALA CB C 27 18.395 18.433 -0.038 2
1 258 . 1 1 A 27 27 ALA N N 27 116.245 121.137 -4.892 2
1 259 . 1 1 A 28 28 GLN H H 28 7.416 7.780 -0.364 2
1 260 . 1 1 A 28 28 GLN HA H 28 4.198 4.226 -0.028 2
1 267 . 1 1 A 28 28 GLN C C 28 177.124 176.067 1.057 2
1 268 . 1 1 A 28 28 GLN CA C 28 57.586 58.282 -0.696 2
1 269 . 1 1 A 28 28 GLN CB C 28 29.250 29.346 -0.096 2
1 271 . 1 1 A 28 28 GLN N N 28 115.857 115.607 0.250 2
1 273 . 1 1 A 29 29 ASN H H 29 8.006 7.670 0.336 2
1 274 . 1 1 A 29 29 ASN HA H 29 4.780 4.995 -0.215 2
1 279 . 1 1 A 29 29 ASN C C 29 172.728 174.783 -2.055 2
1 280 . 1 1 A 29 29 ASN CA C 29 51.028 50.352 0.676 2
1 281 . 1 1 A 29 29 ASN CB C 29 39.656 41.088 -1.432 2
1 282 . 1 1 A 29 29 ASN N N 29 114.892 114.592 0.300 2
1 284 . 1 1 A 30 30 PRO HA H 30 4.218 4.802 -0.584 2
1 291 . 1 1 A 30 30 PRO C C 30 174.525 176.613 -2.088 2
1 292 . 1 1 A 30 30 PRO CA C 30 63.827 64.890 -1.063 2
1 293 . 1 1 A 30 30 PRO CB C 30 33.212 32.250 0.962 2
1 296 . 1 1 A 31 31 LEU H H 31 7.568 7.966 -0.398 2
1 297 . 1 1 A 31 31 LEU HA H 31 4.709 4.438 0.271 2
1 307 . 1 1 A 31 31 LEU C C 31 172.607 173.925 -1.318 2
1 308 . 1 1 A 31 31 LEU CA C 31 51.944 51.740 0.204 2
1 309 . 1 1 A 31 31 LEU CB C 31 42.822 42.744 0.078 2
1 313 . 1 1 A 31 31 LEU N N 31 120.819 118.093 2.726 2
1 314 . 1 1 A 32 32 PRO HA H 32 4.073 4.490 -0.417 2
1 321 . 1 1 A 32 32 PRO C C 32 177.293 177.080 0.213 2
1 322 . 1 1 A 32 32 PRO CA C 32 62.627 62.559 0.068 2
1 323 . 1 1 A 32 32 PRO CB C 32 31.663 32.032 -0.369 2
1 326 . 1 1 A 33 33 LEU H H 33 8.254 8.375 -0.121 2
1 327 . 1 1 A 33 33 LEU HA H 33 4.410 4.508 -0.098 2
1 337 . 1 1 A 33 33 LEU C C 33 178.312 177.864 0.448 2
1 338 . 1 1 A 33 33 LEU CA C 33 53.742 54.170 -0.428 2
1 339 . 1 1 A 33 33 LEU CB C 33 42.620 42.679 -0.059 2
1 343 . 1 1 A 33 33 LEU N N 33 119.030 122.281 -3.251 2
1 344 . 1 1 A 34 34 ASP H H 34 8.532 8.956 -0.424 2
1 345 . 1 1 A 34 34 ASP HA H 34 4.187 4.301 -0.114 2
1 348 . 1 1 A 34 34 ASP C C 34 177.731 178.356 -0.625 2
1 349 . 1 1 A 34 34 ASP CA C 34 58.678 57.477 1.201 2
1 350 . 1 1 A 34 34 ASP CB C 34 40.871 40.308 0.563 2
1 351 . 1 1 A 34 34 ASP N N 34 120.283 121.577 -1.294 2
1 352 . 1 1 A 35 35 GLU H H 35 8.841 8.308 0.533 2
1 353 . 1 1 A 35 35 GLU HA H 35 4.135 4.021 0.114 2
1 358 . 1 1 A 35 35 GLU C C 35 178.919 178.738 0.181 2
1 359 . 1 1 A 35 35 GLU CA C 35 59.801 59.545 0.256 2
1 360 . 1 1 A 35 35 GLU CB C 35 28.860 29.337 -0.477 2
1 362 . 1 1 A 35 35 GLU N N 35 116.076 118.672 -2.596 2
1 363 . 1 1 A 36 36 GLU H H 36 7.242 8.136 -0.894 2
1 364 . 1 1 A 36 36 GLU HA H 36 4.762 4.082 0.680 2
1 369 . 1 1 A 36 36 GLU C C 36 178.264 178.840 -0.576 2
1 370 . 1 1 A 36 36 GLU CA C 36 57.303 58.978 -1.675 2
1 371 . 1 1 A 36 36 GLU CB C 36 28.799 29.367 -0.568 2
1 373 . 1 1 A 36 36 GLU N N 36 121.997 120.147 1.850 2
1 374 . 1 1 A 37 37 LEU H H 37 7.778 7.988 -0.210 2
1 375 . 1 1 A 37 37 LEU HA H 37 3.956 4.176 -0.220 2
1 385 . 1 1 A 37 37 LEU C C 37 179.381 178.715 0.666 2
1 386 . 1 1 A 37 37 LEU CA C 37 58.608 57.279 1.329 2
1 387 . 1 1 A 37 37 LEU CB C 37 41.227 41.391 -0.164 2
1 391 . 1 1 A 37 37 LEU N N 37 120.816 119.977 0.839 2
1 392 . 1 1 A 38 38 ASP H H 38 8.446 8.633 -0.187 2
1 393 . 1 1 A 38 38 ASP HA H 38 4.455 4.331 0.124 2
1 396 . 1 1 A 38 38 ASP C C 38 179.162 178.565 0.597 2
1 397 . 1 1 A 38 38 ASP CA C 38 57.550 57.641 -0.091 2
1 398 . 1 1 A 38 38 ASP CB C 38 40.313 41.898 -1.585 2
1 399 . 1 1 A 38 38 ASP N N 38 118.274 119.691 -1.417 2
1 400 . 1 1 A 39 39 ARG H H 39 7.964 7.691 0.273 2
1 401 . 1 1 A 39 39 ARG HA H 39 4.066 4.090 -0.024 2
1 409 . 1 1 A 39 39 ARG C C 39 179.867 178.752 1.115 2
1 410 . 1 1 A 39 39 ARG CA C 39 59.801 59.114 0.686 2
1 411 . 1 1 A 39 39 ARG CB C 39 29.849 30.119 -0.270 2
1 414 . 1 1 A 39 39 ARG N N 39 123.855 119.719 4.136 2
1 416 . 1 1 A 40 40 LEU H H 40 8.686 7.926 0.760 2
1 417 . 1 1 A 40 40 LEU HA H 40 4.045 3.933 0.112 2
1 427 . 1 1 A 40 40 LEU C C 40 180.716 179.037 1.679 2
1 428 . 1 1 A 40 40 LEU CA C 40 57.782 57.938 -0.156 2
1 429 . 1 1 A 40 40 LEU CB C 40 43.153 41.477 1.676 2
1 433 . 1 1 A 40 40 LEU N N 40 118.936 120.091 -1.155 2
1 434 . 1 1 A 41 41 ARG H H 41 8.500 8.626 -0.126 2
1 435 . 1 1 A 41 41 ARG HA H 41 4.078 4.096 -0.018 2
1 442 . 1 1 A 41 41 ARG C C 41 178.702 178.937 -0.235 2
1 443 . 1 1 A 41 41 ARG CA C 41 60.336 59.633 0.703 2
1 444 . 1 1 A 41 41 ARG CB C 41 29.767 29.863 -0.096 2
1 447 . 1 1 A 41 41 ARG N N 41 125.386 118.723 6.663 2
1 448 . 1 1 A 42 42 SER H H 42 7.762 8.029 -0.267 2
1 449 . 1 1 A 42 42 SER HA H 42 4.238 4.168 0.070 2
1 452 . 1 1 A 42 42 SER C C 42 176.030 176.523 -0.493 2
1 453 . 1 1 A 42 42 SER CA C 42 61.535 61.636 -0.101 2
1 454 . 1 1 A 42 42 SER CB C 42 62.892 63.023 -0.131 2
1 455 . 1 1 A 42 42 SER N N 42 114.493 116.474 -1.981 2
1 456 . 1 1 A 43 43 GLU H H 43 8.031 7.843 0.188 2
1 457 . 1 1 A 43 43 GLU HA H 43 4.220 4.171 0.048 2
1 462 . 1 1 A 43 43 GLU C C 43 178.264 178.962 -0.698 2
1 463 . 1 1 A 43 43 GLU CA C 43 58.855 58.933 -0.078 2
1 464 . 1 1 A 43 43 GLU CB C 43 30.959 30.152 0.807 2
1 466 . 1 1 A 43 43 GLU N N 43 118.451 121.419 -2.968 2
1 467 . 1 1 A 44 44 THR H H 44 8.387 8.267 0.120 2
1 468 . 1 1 A 44 44 THR HA H 44 4.333 4.114 0.219 2
1 473 . 1 1 A 44 44 THR C C 44 175.787 174.851 0.936 2
1 474 . 1 1 A 44 44 THR CA C 44 63.333 63.801 -0.468 2
1 475 . 1 1 A 44 44 THR CB C 44 72.112 69.984 2.128 2
1 477 . 1 1 A 44 44 THR N N 44 105.689 111.281 -5.592 2
1 478 . 1 1 A 45 45 LYS H H 45 7.962 7.794 0.168 2
1 479 . 1 1 A 45 45 LYS HA H 45 4.042 4.129 -0.087 2
1 488 . 1 1 A 45 45 LYS C C 45 176.298 174.808 1.491 2
1 489 . 1 1 A 45 45 LYS CA C 45 57.934 57.378 0.556 2
1 490 . 1 1 A 45 45 LYS CB C 45 29.024 29.270 -0.246 2
1 494 . 1 1 A 45 45 LYS N N 45 115.260 116.764 -1.504 2
1 495 . 1 1 A 46 46 MET H H 46 7.750 7.398 0.352 2
1 496 . 1 1 A 46 46 MET HA H 46 4.498 5.033 -0.535 2
1 504 . 1 1 A 46 46 MET C C 46 176.127 175.252 0.875 2
1 505 . 1 1 A 46 46 MET CA C 46 55.788 54.144 1.644 2
1 506 . 1 1 A 46 46 MET CB C 46 36.233 37.004 -0.771 2
1 509 . 1 1 A 46 46 MET N N 46 119.026 116.306 2.720 2
1 510 . 1 1 A 47 47 THR H H 47 8.712 8.430 0.282 2
1 511 . 1 1 A 47 47 THR HA H 47 4.376 4.821 -0.445 2
1 516 . 1 1 A 47 47 THR C C 47 175.812 176.353 -0.541 2
1 517 . 1 1 A 47 47 THR CA C 47 61.011 59.857 1.154 2
1 518 . 1 1 A 47 47 THR CB C 47 70.885 71.787 -0.903 2
1 520 . 1 1 A 47 47 THR N N 47 109.504 111.501 -1.997 2
1 521 . 1 1 A 48 48 ARG H H 48 9.074 8.984 0.090 2
1 522 . 1 1 A 48 48 ARG HA H 48 3.910 3.989 -0.079 2
1 530 . 1 1 A 48 48 ARG C C 48 178.119 178.238 -0.119 2
1 531 . 1 1 A 48 48 ARG CA C 48 59.242 60.174 -0.932 2
1 532 . 1 1 A 48 48 ARG CB C 48 29.189 29.987 -0.798 2
1 535 . 1 1 A 48 48 ARG N N 48 120.559 122.104 -1.545 2
1 537 . 1 1 A 49 49 ARG H H 49 8.384 8.205 0.179 2
1 538 . 1 1 A 49 49 ARG HA H 49 4.237 4.083 0.154 2
1 545 . 1 1 A 49 49 ARG C C 49 179.478 178.602 0.876 2
1 546 . 1 1 A 49 49 ARG CA C 49 59.419 59.168 0.251 2
1 547 . 1 1 A 49 49 ARG CB C 49 30.014 30.024 -0.010 2
1 550 . 1 1 A 49 49 ARG N N 49 117.267 118.740 -1.473 2
1 551 . 1 1 A 50 50 GLU H H 50 7.869 7.938 -0.069 2
1 552 . 1 1 A 50 50 GLU HA H 50 4.073 4.099 -0.026 2
1 557 . 1 1 A 50 50 GLU C C 50 180.036 179.244 0.792 2
1 558 . 1 1 A 50 50 GLU CA C 50 59.419 59.054 0.365 2
1 559 . 1 1 A 50 50 GLU CB C 50 30.672 29.477 1.195 2
1 561 . 1 1 A 50 50 GLU N N 50 119.568 118.714 0.854 2
1 562 . 1 1 A 51 51 ILE H H 51 8.451 8.293 0.158 2
1 563 . 1 1 A 51 51 ILE HA H 51 3.795 3.707 0.088 2
1 573 . 1 1 A 51 51 ILE C C 51 177.706 177.828 -0.122 2
1 574 . 1 1 A 51 51 ILE CA C 51 66.329 65.391 0.938 2
1 575 . 1 1 A 51 51 ILE CB C 51 38.715 37.938 0.777 2
1 579 . 1 1 A 51 51 ILE N N 51 122.516 121.232 1.284 2
1 580 . 1 1 A 52 52 ASP H H 52 9.078 8.791 0.287 2
1 581 . 1 1 A 52 52 ASP HA H 52 4.561 4.545 0.016 2
1 584 . 1 1 A 52 52 ASP C C 52 180.085 178.427 1.658 2
1 585 . 1 1 A 52 52 ASP CA C 52 58.249 57.720 0.529 2
1 586 . 1 1 A 52 52 ASP CB C 52 40.908 41.221 -0.313 2
1 587 . 1 1 A 52 52 ASP N N 52 121.201 121.206 -0.005 2
1 588 . 1 1 A 53 53 SER H H 53 8.298 7.924 0.374 2
1 589 . 1 1 A 53 53 SER HA H 53 4.362 4.226 0.136 2
1 592 . 1 1 A 53 53 SER C C 53 175.934 176.709 -0.775 2
1 593 . 1 1 A 53 53 SER CA C 53 61.928 61.570 0.358 2
1 594 . 1 1 A 53 53 SER CB C 53 62.974 63.031 -0.057 2
1 595 . 1 1 A 53 53 SER N N 53 114.616 114.096 0.520 2
1 596 . 1 1 A 54 54 TRP H H 54 8.315 8.037 0.278 2
1 597 . 1 1 A 54 54 TRP HA H 54 3.993 4.245 -0.252 2
1 606 . 1 1 A 54 54 TRP C C 54 179.453 178.050 1.403 2
1 607 . 1 1 A 54 54 TRP CA C 54 63.191 61.191 2.000 2
1 608 . 1 1 A 54 54 TRP CB C 54 28.777 29.824 -1.047 2
1 614 . 1 1 A 54 54 TRP N N 54 123.444 123.980 -0.536 2
1 616 . 1 1 A 55 55 PHE H H 55 9.110 8.084 1.026 2
1 617 . 1 1 A 55 55 PHE HA H 55 3.880 4.121 -0.241 2
1 625 . 1 1 A 55 55 PHE C C 55 178.119 178.288 -0.169 2
1 626 . 1 1 A 55 55 PHE CA C 55 63.563 61.310 2.253 2
1 627 . 1 1 A 55 55 PHE CB C 55 39.721 39.174 0.547 2
1 633 . 1 1 A 55 55 PHE N N 55 119.065 118.311 0.754 2
1 634 . 1 1 A 56 56 SER H H 56 8.330 8.277 0.053 2
1 635 . 1 1 A 56 56 SER HA H 56 4.173 4.239 -0.066 2
1 638 . 1 1 A 56 56 SER C C 56 177.851 175.659 2.192 2
1 639 . 1 1 A 56 56 SER CA C 56 61.958 61.308 0.650 2
1 640 . 1 1 A 56 56 SER CB C 56 62.727 62.929 -0.202 2
1 641 . 1 1 A 56 56 SER N N 56 113.028 114.635 -1.607 2
1 642 . 1 1 A 57 57 GLU H H 57 8.070 7.919 0.151 2
1 643 . 1 1 A 57 57 GLU HA H 57 3.922 4.220 -0.298 2
1 648 . 1 1 A 57 57 GLU C C 57 178.895 178.222 0.673 2
1 649 . 1 1 A 57 57 GLU CA C 57 58.629 57.351 1.278 2
1 650 . 1 1 A 57 57 GLU CB C 57 29.107 30.049 -0.942 2
1 652 . 1 1 A 57 57 GLU N N 57 119.996 119.587 0.409 2
1 653 . 1 1 A 58 58 ARG H H 58 8.048 7.774 0.274 2
1 654 . 1 1 A 58 58 ARG HA H 58 3.489 3.656 -0.167 2
1 662 . 1 1 A 58 58 ARG C C 58 179.186 178.218 0.968 2
1 663 . 1 1 A 58 58 ARG CA C 58 56.770 58.473 -1.703 2
1 664 . 1 1 A 58 58 ARG CB C 58 28.145 29.218 -1.073 2
1 667 . 1 1 A 58 58 ARG N N 58 122.160 120.810 1.350 2
1 669 . 1 1 A 59 59 ARG H H 59 8.093 8.183 -0.090 2
1 670 . 1 1 A 59 59 ARG HA H 59 4.212 4.178 0.034 2
1 677 . 1 1 A 59 59 ARG C C 59 178.458 177.582 0.876 2
1 678 . 1 1 A 59 59 ARG CA C 59 60.019 58.880 1.139 2
1 679 . 1 1 A 59 59 ARG CB C 59 31.689 29.972 1.717 2
1 682 . 1 1 A 59 59 ARG N N 59 116.818 117.890 -1.072 2
1 683 . 1 1 A 60 60 LYS H H 60 7.418 7.959 -0.541 2
1 684 . 1 1 A 60 60 LYS HA H 60 4.154 4.076 0.078 2
1 693 . 1 1 A 60 60 LYS C C 60 177.803 178.872 -1.069 2
1 694 . 1 1 A 60 60 LYS CA C 60 58.327 59.017 -0.690 2
1 695 . 1 1 A 60 60 LYS CB C 60 32.651 32.047 0.604 2
1 699 . 1 1 A 60 60 LYS N N 60 117.893 118.309 -0.416 2
1 700 . 1 1 A 61 61 LYS H H 61 7.510 7.904 -0.394 2
1 701 . 1 1 A 61 61 LYS HA H 61 4.177 4.063 0.114 2
1 710 . 1 1 A 61 61 LYS C C 61 177.317 178.951 -1.634 2
1 711 . 1 1 A 61 61 LYS CA C 61 57.516 59.005 -1.489 2
1 712 . 1 1 A 61 61 LYS CB C 61 32.809 32.149 0.660 2
1 716 . 1 1 A 61 61 LYS N N 61 119.359 119.518 -0.159 2
1 717 . 1 1 A 62 62 VAL H H 62 7.805 7.679 0.126 2
1 718 . 1 1 A 62 62 VAL HA H 62 4.013 3.605 0.408 2
1 726 . 1 1 A 62 62 VAL C C 62 176.784 178.149 -1.365 2
1 727 . 1 1 A 62 62 VAL CA C 62 63.755 66.408 -2.653 2
1 728 . 1 1 A 62 62 VAL CB C 62 32.365 31.527 0.838 2
1 731 . 1 1 A 62 62 VAL N N 62 119.337 120.132 -0.795 2
1 732 . 1 1 A 63 63 ASN H H 63 8.282 8.107 0.175 2
1 733 . 1 1 A 63 63 ASN HA H 63 4.700 4.478 0.222 2
1 738 . 1 1 A 63 63 ASN C C 63 175.594 176.603 -1.009 2
1 739 . 1 1 A 63 63 ASN CA C 63 53.962 56.161 -2.199 2
1 740 . 1 1 A 63 63 ASN CB C 63 38.913 38.707 0.206 2
1 741 . 1 1 A 63 63 ASN N N 63 120.443 118.650 1.793 2
1 743 . 1 1 A 64 64 ALA H H 64 8.225 7.374 0.851 2
1 744 . 1 1 A 64 64 ALA HA H 64 4.290 4.398 -0.108 2
1 748 . 1 1 A 64 64 ALA C C 64 178.312 176.429 1.884 2
1 749 . 1 1 A 64 64 ALA CA C 64 53.319 51.735 1.584 2
1 750 . 1 1 A 64 64 ALA CB C 64 19.055 18.452 0.603 2
1 751 . 1 1 A 64 64 ALA N N 64 123.747 118.771 4.976 2
1 752 . 1 1 A 65 65 GLU H H 65 8.262 7.830 0.432 2
1 753 . 1 1 A 65 65 GLU HA H 65 4.233 4.481 -0.248 2
1 758 . 1 1 A 65 65 GLU C C 65 177.244 176.196 1.048 2
1 759 . 1 1 A 65 65 GLU CA C 65 57.269 55.764 1.505 2
1 760 . 1 1 A 65 65 GLU CB C 65 30.114 31.604 -1.490 2
1 762 . 1 1 A 65 65 GLU N N 65 118.780 119.856 -1.076 2
1 763 . 1 1 A 66 66 GLU H H 66 8.327 8.879 -0.552 2
1 764 . 1 1 A 66 66 GLU HA H 66 4.301 4.157 0.144 2
1 769 . 1 1 A 66 66 GLU C C 66 177.244 175.670 1.574 2
1 770 . 1 1 A 66 66 GLU CA C 66 57.197 56.658 0.539 2
1 771 . 1 1 A 66 66 GLU CB C 66 30.227 29.320 0.907 2
1 773 . 1 1 A 66 66 GLU N N 66 120.955 122.801 -1.846 2
1 774 . 1 1 A 67 67 THR H H 67 8.135 8.045 0.090 2
1 775 . 1 1 A 67 67 THR HA H 67 4.280 4.545 -0.265 2
1 780 . 1 1 A 67 67 THR C C 67 174.816 174.379 0.437 2
1 781 . 1 1 A 67 67 THR CA C 67 62.615 62.036 0.579 2
1 782 . 1 1 A 67 67 THR CB C 67 69.648 70.390 -0.742 2
1 784 . 1 1 A 67 67 THR N N 67 114.856 113.911 0.945 2
1 785 . 1 1 A 68 68 LYS H H 68 8.202 8.426 -0.224 2
1 786 . 1 1 A 68 68 LYS HA H 68 4.327 4.396 -0.069 2
1 795 . 1 1 A 68 68 LYS C C 68 176.637 175.800 0.837 2
1 796 . 1 1 A 68 68 LYS CA C 68 56.599 56.805 -0.206 2
1 797 . 1 1 A 68 68 LYS CB C 68 32.898 33.659 -0.761 2
1 801 . 1 1 A 68 68 LYS N N 68 123.462 123.839 -0.377 2
1 802 . 1 1 A 69 69 LYS H H 69 8.300 8.356 -0.056 2
1 803 . 1 1 A 69 69 LYS HA H 69 4.375 4.731 -0.356 2
1 812 . 1 1 A 69 69 LYS C C 69 176.661 175.118 1.543 2
1 813 . 1 1 A 69 69 LYS CA C 69 56.458 55.263 1.196 2
1 814 . 1 1 A 69 69 LYS CB C 69 33.145 35.108 -1.963 2
1 818 . 1 1 A 69 69 LYS N N 69 122.321 121.910 0.411 2
1 819 . 1 1 A 70 70 SER H H 70 8.330 8.740 -0.410 2
1 820 . 1 1 A 70 70 SER HA H 70 4.536 4.665 -0.129 2
1 823 . 1 1 A 70 70 SER C C 70 174.525 174.099 0.426 2
1 824 . 1 1 A 70 70 SER CA C 70 58.361 58.250 0.111 2
1 825 . 1 1 A 70 70 SER CB C 70 64.022 63.916 0.106 2
1 826 . 1 1 A 70 70 SER N N 70 116.687 118.349 -1.662 2
1 827 . 1 1 A 71 71 GLY H H 71 8.250 8.535 -0.285 2
1 828 . 1 1 A 71 71 GLY C C 71 171.782 172.935 -1.153 2
1 829 . 1 1 A 71 71 GLY CA C 71 44.717 45.694 -0.977 2
1 830 . 1 1 A 71 71 GLY N N 71 110.366 111.659 -1.293 2
1 831 . 1 1 A 72 72 PRO HA H 72 4.141 4.603 -0.462 2
1 832 . 1 1 A 74 74 SER HA H 74 4.526 4.642 -0.116 2
1 835 . 1 1 A 74 74 SER C C 74 173.918 174.662 -0.744 2
1 836 . 1 1 A 74 74 SER CA C 74 58.528 58.501 0.027 2
1 837 . 1 1 A 74 74 SER CB C 74 63.972 64.237 -0.265 2
stop_
save_