data_10286_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10286
_Entry.PDB_ID 2DA4
_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 3.969 4.277 -0.308 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.969 4.278 -0.309 1
1 3 . 1 1 1 A 7 7 GLY C C 7 173.939 172.247 1.692 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.342 45.977 -0.635 1
1 5 . 1 1 1 A 8 8 ALA H H 8 8.128 8.277 -0.149 1
1 6 . 1 1 1 A 8 8 ALA HA H 8 4.329 5.005 -0.676 1
1 10 . 1 1 1 A 8 8 ALA C C 8 177.971 175.267 2.704 1
1 11 . 1 1 1 A 8 8 ALA CA C 8 52.565 51.463 1.102 1
1 12 . 1 1 1 A 8 8 ALA CB C 8 19.287 22.645 -3.358 1
1 13 . 1 1 1 A 8 8 ALA N N 8 123.703 123.596 0.107 1
1 14 . 1 1 1 A 9 9 LEU H H 9 8.240 8.405 -0.165 1
1 15 . 1 1 1 A 9 9 LEU HA H 9 4.304 4.809 -0.505 1
1 25 . 1 1 1 A 9 9 LEU C C 9 177.655 175.178 2.477 1
1 26 . 1 1 1 A 9 9 LEU CA C 9 55.570 54.344 1.226 1
1 27 . 1 1 1 A 9 9 LEU CB C 9 42.202 43.501 -1.299 1
1 31 . 1 1 1 A 9 9 LEU N N 9 121.161 123.271 -2.110 1
1 32 . 1 1 1 A 10 10 GLN H H 10 8.305 8.287 0.018 1
1 33 . 1 1 1 A 10 10 GLN HA H 10 4.313 4.683 -0.370 1
1 40 . 1 1 1 A 10 10 GLN C C 10 175.737 174.819 0.918 1
1 41 . 1 1 1 A 10 10 GLN CA C 10 56.099 55.218 0.881 1
1 42 . 1 1 1 A 10 10 GLN CB C 10 29.425 32.689 -3.264 1
1 44 . 1 1 1 A 10 10 GLN N N 10 120.538 123.973 -3.435 1
1 46 . 1 1 1 A 11 11 ASP H H 11 8.306 8.673 -0.367 1
1 47 . 1 1 1 A 11 11 ASP HA H 11 4.589 4.557 0.032 1
1 50 . 1 1 1 A 11 11 ASP C C 11 176.319 176.612 -0.293 1
1 51 . 1 1 1 A 11 11 ASP CA C 11 54.583 56.903 -2.320 1
1 52 . 1 1 1 A 11 11 ASP CB C 11 41.204 42.242 -1.038 1
1 53 . 1 1 1 A 11 11 ASP N N 11 121.418 122.264 -0.846 1
1 54 . 1 1 1 A 12 12 ARG H H 12 8.257 7.873 0.384 1
1 55 . 1 1 1 A 12 12 ARG HA H 12 4.408 4.702 -0.294 1
1 62 . 1 1 1 A 12 12 ARG C C 12 176.295 174.997 1.298 1
1 63 . 1 1 1 A 12 12 ARG CA C 12 56.088 54.716 1.372 1
1 64 . 1 1 1 A 12 12 ARG CB C 12 30.579 32.231 -1.652 1
1 67 . 1 1 1 A 12 12 ARG N N 12 121.271 118.303 2.968 1
1 68 . 1 1 1 A 13 13 THR H H 13 8.189 8.663 -0.474 1
1 69 . 1 1 1 A 13 13 THR HA H 13 4.193 5.214 -1.021 1
1 74 . 1 1 1 A 13 13 THR C C 13 174.121 173.890 0.231 1
1 75 . 1 1 1 A 13 13 THR CA C 13 62.448 60.782 1.666 1
1 76 . 1 1 1 A 13 13 THR CB C 13 69.697 70.103 -0.406 1
1 78 . 1 1 1 A 13 13 THR N N 13 114.810 117.246 -2.436 1
1 79 . 1 1 1 A 14 14 GLN H H 14 8.130 8.884 -0.754 1
1 80 . 1 1 1 A 14 14 GLN HA H 14 4.314 4.817 -0.503 1
1 87 . 1 1 1 A 14 14 GLN C C 14 175.275 175.046 0.229 1
1 88 . 1 1 1 A 14 14 GLN CA C 14 55.253 53.852 1.401 1
1 89 . 1 1 1 A 14 14 GLN CB C 14 29.838 31.951 -2.113 1
1 91 . 1 1 1 A 14 14 GLN N N 14 122.533 124.810 -2.277 1
1 93 . 1 1 1 A 15 15 PHE H H 15 8.151 8.935 -0.784 1
1 94 . 1 1 1 A 15 15 PHE HA H 15 5.009 4.809 0.200 1
1 102 . 1 1 1 A 15 15 PHE C C 15 176.465 175.948 0.517 1
1 103 . 1 1 1 A 15 15 PHE CA C 15 57.157 57.694 -0.537 1
1 104 . 1 1 1 A 15 15 PHE CB C 15 40.996 40.859 0.137 1
1 110 . 1 1 1 A 15 15 PHE N N 15 120.835 121.231 -0.396 1
1 111 . 1 1 1 A 16 16 SER H H 16 9.565 8.901 0.664 1
1 112 . 1 1 1 A 16 16 SER HA H 16 4.610 4.846 -0.236 1
1 115 . 1 1 1 A 16 16 SER C C 16 174.547 174.902 -0.355 1
1 116 . 1 1 1 A 16 16 SER CA C 16 56.946 57.209 -0.263 1
1 117 . 1 1 1 A 16 16 SER CB C 16 65.545 65.843 -0.298 1
1 118 . 1 1 1 A 16 16 SER N N 16 119.442 117.468 1.974 1
1 119 . 1 1 1 A 17 17 ASP H H 17 8.947 9.293 -0.346 1
1 120 . 1 1 1 A 17 17 ASP HA H 17 4.386 4.245 0.141 1
1 123 . 1 1 1 A 17 17 ASP C C 17 179.331 178.191 1.140 1
1 124 . 1 1 1 A 17 17 ASP CA C 17 58.074 57.926 0.148 1
1 125 . 1 1 1 A 17 17 ASP CB C 17 39.875 40.348 -0.473 1
1 126 . 1 1 1 A 17 17 ASP N N 17 120.645 124.604 -3.959 1
1 127 . 1 1 1 A 18 18 ARG H H 18 8.302 8.169 0.133 1
1 128 . 1 1 1 A 18 18 ARG HA H 18 4.098 4.055 0.043 1
1 135 . 1 1 1 A 18 18 ARG C C 18 178.699 178.827 -0.128 1
1 136 . 1 1 1 A 18 18 ARG CA C 18 59.203 59.203 0.000 1
1 137 . 1 1 1 A 18 18 ARG CB C 18 29.920 30.113 -0.193 1
1 140 . 1 1 1 A 18 18 ARG N N 18 121.398 119.312 2.086 1
1 141 . 1 1 1 A 19 19 ASP H H 19 7.853 8.149 -0.296 1
1 142 . 1 1 1 A 19 19 ASP HA H 19 4.151 4.257 -0.106 1
1 145 . 1 1 1 A 19 19 ASP C C 19 178.384 178.943 -0.559 1
1 146 . 1 1 1 A 19 19 ASP CA C 19 57.348 57.130 0.218 1
1 147 . 1 1 1 A 19 19 ASP CB C 19 40.392 40.663 -0.271 1
1 148 . 1 1 1 A 19 19 ASP N N 19 122.636 120.098 2.538 1
1 149 . 1 1 1 A 20 20 LEU H H 20 8.335 8.334 0.001 1
1 150 . 1 1 1 A 20 20 LEU HA H 20 3.635 3.638 -0.003 1
1 160 . 1 1 1 A 20 20 LEU C C 20 179.234 178.569 0.665 1
1 161 . 1 1 1 A 20 20 LEU CA C 20 57.587 57.722 -0.135 1
1 162 . 1 1 1 A 20 20 LEU CB C 20 41.658 41.548 0.110 1
1 166 . 1 1 1 A 20 20 LEU N N 20 118.845 119.960 -1.115 1
1 167 . 1 1 1 A 21 21 ALA H H 21 7.905 8.631 -0.726 1
1 168 . 1 1 1 A 21 21 ALA HA H 21 4.123 4.048 0.075 1
1 172 . 1 1 1 A 21 21 ALA C C 21 181.031 179.623 1.408 1
1 173 . 1 1 1 A 21 21 ALA CA C 21 55.103 55.435 -0.332 1
1 174 . 1 1 1 A 21 21 ALA CB C 21 17.709 18.456 -0.747 1
1 175 . 1 1 1 A 21 21 ALA N N 21 122.007 120.894 1.113 1
1 176 . 1 1 1 A 22 22 THR H H 22 7.886 7.573 0.313 1
1 177 . 1 1 1 A 22 22 THR HA H 22 3.954 3.838 0.116 1
1 182 . 1 1 1 A 22 22 THR C C 22 175.834 176.257 -0.423 1
1 183 . 1 1 1 A 22 22 THR CA C 22 67.081 67.274 -0.193 1
1 184 . 1 1 1 A 22 22 THR CB C 22 68.253 68.666 -0.413 1
1 186 . 1 1 1 A 22 22 THR N N 22 119.042 114.209 4.833 1
1 187 . 1 1 1 A 23 23 LEU H H 23 8.036 7.763 0.273 1
1 188 . 1 1 1 A 23 23 LEU HA H 23 3.404 3.747 -0.343 1
1 198 . 1 1 1 A 23 23 LEU C C 23 178.335 178.973 -0.638 1
1 199 . 1 1 1 A 23 23 LEU CA C 23 59.230 58.066 1.164 1
1 200 . 1 1 1 A 23 23 LEU CB C 23 39.399 41.258 -1.859 1
1 204 . 1 1 1 A 23 23 LEU N N 23 123.450 120.120 3.330 1
1 205 . 1 1 1 A 24 24 LYS H H 24 8.166 8.281 -0.115 1
1 206 . 1 1 1 A 24 24 LYS HA H 24 4.074 4.129 -0.055 1
1 215 . 1 1 1 A 24 24 LYS C C 24 177.631 179.077 -1.446 1
1 216 . 1 1 1 A 24 24 LYS CA C 24 60.367 59.614 0.753 1
1 217 . 1 1 1 A 24 24 LYS CB C 24 32.554 32.263 0.291 1
1 221 . 1 1 1 A 24 24 LYS N N 24 117.974 118.723 -0.749 1
1 222 . 1 1 1 A 25 25 LYS H H 25 7.837 7.782 0.055 1
1 223 . 1 1 1 A 25 25 LYS HA H 25 4.205 4.006 0.199 1
1 232 . 1 1 1 A 25 25 LYS C C 25 179.695 178.517 1.178 1
1 233 . 1 1 1 A 25 25 LYS CA C 25 59.704 59.056 0.648 1
1 234 . 1 1 1 A 25 25 LYS CB C 25 31.816 32.025 -0.209 1
1 238 . 1 1 1 A 25 25 LYS N N 25 120.567 118.962 1.605 1
1 239 . 1 1 1 A 26 26 TYR H H 26 8.158 8.218 -0.060 1
1 240 . 1 1 1 A 26 26 TYR HA H 26 4.089 4.198 -0.109 1
1 247 . 1 1 1 A 26 26 TYR C C 26 180.035 178.708 1.327 1
1 248 . 1 1 1 A 26 26 TYR CA C 26 63.104 60.353 2.751 1
1 249 . 1 1 1 A 26 26 TYR CB C 26 36.926 37.884 -0.958 1
1 254 . 1 1 1 A 26 26 TYR N N 26 118.591 118.398 0.193 1
1 255 . 1 1 1 A 27 27 TRP H H 27 9.294 8.041 1.253 1
1 256 . 1 1 1 A 27 27 TRP HA H 27 4.349 4.388 -0.039 1
1 265 . 1 1 1 A 27 27 TRP C C 27 179.209 178.511 0.698 1
1 266 . 1 1 1 A 27 27 TRP CA C 27 61.357 60.572 0.785 1
1 267 . 1 1 1 A 27 27 TRP CB C 27 28.481 29.940 -1.459 1
1 273 . 1 1 1 A 27 27 TRP N N 27 125.036 122.194 2.842 1
1 275 . 1 1 1 A 28 28 ASP H H 28 9.354 8.083 1.271 1
1 276 . 1 1 1 A 28 28 ASP HA H 28 4.479 4.671 -0.192 1
1 279 . 1 1 1 A 28 28 ASP C C 28 176.999 177.046 -0.047 1
1 280 . 1 1 1 A 28 28 ASP CA C 28 57.024 56.780 0.244 1
1 281 . 1 1 1 A 28 28 ASP CB C 28 39.894 40.637 -0.743 1
1 282 . 1 1 1 A 28 28 ASP N N 28 121.650 119.159 2.491 1
1 283 . 1 1 1 A 29 29 ASN H H 29 7.569 8.196 -0.627 1
1 284 . 1 1 1 A 29 29 ASN HA H 29 4.905 4.968 -0.063 1
1 289 . 1 1 1 A 29 29 ASN C C 29 174.935 175.618 -0.683 1
1 290 . 1 1 1 A 29 29 ASN CA C 29 52.819 52.550 0.269 1
1 291 . 1 1 1 A 29 29 ASN CB C 29 39.320 39.152 0.168 1
1 292 . 1 1 1 A 29 29 ASN N N 29 116.912 115.756 1.156 1
1 294 . 1 1 1 A 30 30 GLY H H 30 7.695 7.919 -0.224 1
1 295 . 1 1 1 A 30 30 GLY HA2 H 30 3.603 3.735 -0.132 1
1 296 . 1 1 1 A 30 30 GLY HA3 H 30 4.489 3.855 0.634 1
1 297 . 1 1 1 A 30 30 GLY C C 30 174.571 174.557 0.014 1
1 298 . 1 1 1 A 30 30 GLY CA C 30 45.332 46.228 -0.896 1
1 299 . 1 1 1 A 30 30 GLY N N 30 105.356 108.581 -3.225 1
1 300 . 1 1 1 A 31 31 MET H H 31 8.574 8.015 0.559 1
1 301 . 1 1 1 A 31 31 MET HA H 31 4.769 4.388 0.381 1
1 309 . 1 1 1 A 31 31 MET C C 31 173.381 176.045 -2.664 1
1 310 . 1 1 1 A 31 31 MET CA C 31 54.301 54.120 0.181 1
1 311 . 1 1 1 A 31 31 MET CB C 31 31.899 30.617 1.282 1
1 314 . 1 1 1 A 31 31 MET N N 31 125.209 120.903 4.306 1
1 315 . 1 1 1 A 32 32 THR H H 32 7.284 7.492 -0.208 1
1 316 . 1 1 1 A 32 32 THR HA H 32 4.003 3.978 0.025 1
1 321 . 1 1 1 A 32 32 THR C C 32 173.721 174.666 -0.945 1
1 322 . 1 1 1 A 32 32 THR CA C 32 59.873 62.104 -2.231 1
1 323 . 1 1 1 A 32 32 THR CB C 32 69.651 69.510 0.141 1
1 325 . 1 1 1 A 32 32 THR N N 32 108.409 115.857 -7.448 1
1 326 . 1 1 1 A 33 33 SER H H 33 7.809 7.618 0.191 1
1 327 . 1 1 1 A 33 33 SER HA H 33 4.614 4.412 0.202 1
1 330 . 1 1 1 A 33 33 SER C C 33 171.608 174.079 -2.471 1
1 331 . 1 1 1 A 33 33 SER CA C 33 56.764 58.367 -1.603 1
1 332 . 1 1 1 A 33 33 SER CB C 33 65.653 63.906 1.747 1
1 333 . 1 1 1 A 33 33 SER N N 33 115.742 117.367 -1.625 1
1 334 . 1 1 1 A 34 34 LEU H H 34 8.284 8.543 -0.259 1
1 335 . 1 1 1 A 34 34 LEU HA H 34 4.488 4.371 0.117 1
1 345 . 1 1 1 A 34 34 LEU C C 34 178.335 177.625 0.710 1
1 346 . 1 1 1 A 34 34 LEU CA C 34 54.583 55.247 -0.664 1
1 347 . 1 1 1 A 34 34 LEU CB C 34 41.872 42.737 -0.865 1
1 351 . 1 1 1 A 34 34 LEU N N 34 116.566 125.636 -9.070 1
1 352 . 1 1 1 A 35 35 GLY H H 35 8.159 8.286 -0.127 1
1 353 . 1 1 1 A 35 35 GLY HA2 H 35 4.239 4.069 0.170 1
1 354 . 1 1 1 A 35 35 GLY HA3 H 35 3.949 4.073 -0.124 1
1 355 . 1 1 1 A 35 35 GLY C C 35 175.299 174.997 0.302 1
1 356 . 1 1 1 A 35 35 GLY CA C 35 44.707 44.999 -0.292 1
1 357 . 1 1 1 A 35 35 GLY N N 35 106.688 107.582 -0.894 1
1 358 . 1 1 1 A 36 36 SER HA H 36 4.123 4.148 -0.025 1
1 360 . 1 1 1 A 36 36 SER CA C 36 61.785 62.778 -0.993 1
1 361 . 1 1 1 A 36 36 SER CB C 36 62.793 62.961 -0.168 1
1 362 . 1 1 1 A 37 37 VAL HA H 37 4.155 3.703 0.452 1
1 370 . 1 1 1 A 37 37 VAL C C 37 177.048 177.496 -0.448 1
1 371 . 1 1 1 A 37 37 VAL CA C 37 64.423 65.161 -0.738 1
1 372 . 1 1 1 A 37 37 VAL CB C 37 31.486 31.383 0.103 1
1 375 . 1 1 1 A 38 38 CYS H H 38 7.746 7.803 -0.057 1
1 376 . 1 1 1 A 38 38 CYS HA H 38 4.787 4.468 0.319 1
1 379 . 1 1 1 A 38 38 CYS C C 38 174.522 176.347 -1.825 1
1 380 . 1 1 1 A 38 38 CYS CA C 38 59.344 60.097 -0.753 1
1 381 . 1 1 1 A 38 38 CYS CB C 38 29.261 28.735 0.526 1
1 382 . 1 1 1 A 38 38 CYS N N 38 116.501 119.104 -2.603 1
1 383 . 1 1 1 A 39 39 ARG H H 39 7.633 8.400 -0.767 1
1 384 . 1 1 1 A 39 39 ARG HA H 39 3.847 3.928 -0.081 1
1 390 . 1 1 1 A 39 39 ARG C C 39 177.315 178.726 -1.411 1
1 391 . 1 1 1 A 39 39 ARG CA C 39 60.952 59.496 1.456 1
1 392 . 1 1 1 A 39 39 ARG CB C 39 30.332 30.146 0.186 1
1 395 . 1 1 1 A 39 39 ARG N N 39 122.520 122.664 -0.144 1
1 396 . 1 1 1 A 40 40 GLU H H 40 8.827 8.199 0.628 1
1 397 . 1 1 1 A 40 40 GLU HA H 40 4.070 4.277 -0.207 1
1 402 . 1 1 1 A 40 40 GLU C C 40 179.719 179.365 0.354 1
1 403 . 1 1 1 A 40 40 GLU CA C 40 60.065 59.480 0.585 1
1 404 . 1 1 1 A 40 40 GLU CB C 40 29.094 29.292 -0.198 1
1 406 . 1 1 1 A 40 40 GLU N N 40 116.909 117.237 -0.328 1
1 407 . 1 1 1 A 41 41 LYS H H 41 7.660 8.021 -0.361 1
1 408 . 1 1 1 A 41 41 LYS HA H 41 4.293 4.055 0.238 1
1 416 . 1 1 1 A 41 41 LYS C C 41 176.854 178.854 -2.000 1
1 417 . 1 1 1 A 41 41 LYS CA C 41 59.908 59.316 0.592 1
1 418 . 1 1 1 A 41 41 LYS CB C 41 33.704 32.412 1.292 1
1 422 . 1 1 1 A 41 41 LYS N N 41 120.497 118.507 1.990 1
1 423 . 1 1 1 A 42 42 ILE H H 42 8.050 8.010 0.040 1
1 424 . 1 1 1 A 42 42 ILE HA H 42 3.756 3.455 0.301 1
1 434 . 1 1 1 A 42 42 ILE C C 42 177.607 177.772 -0.165 1
1 435 . 1 1 1 A 42 42 ILE CA C 42 65.460 65.365 0.095 1
1 436 . 1 1 1 A 42 42 ILE CB C 42 38.516 37.648 0.868 1
1 440 . 1 1 1 A 42 42 ILE N N 42 119.276 120.654 -1.378 1
1 441 . 1 1 1 A 43 43 GLU H H 43 8.142 8.540 -0.398 1
1 442 . 1 1 1 A 43 43 GLU HA H 43 4.011 4.014 -0.003 1
1 447 . 1 1 1 A 43 43 GLU C C 43 179.477 178.655 0.822 1
1 448 . 1 1 1 A 43 43 GLU CA C 43 59.340 59.298 0.042 1
1 449 . 1 1 1 A 43 43 GLU CB C 43 29.425 29.249 0.176 1
1 451 . 1 1 1 A 43 43 GLU N N 43 116.432 120.022 -3.590 1
1 452 . 1 1 1 A 44 44 ALA H H 44 8.053 7.967 0.086 1
1 453 . 1 1 1 A 44 44 ALA HA H 44 4.217 4.211 0.006 1
1 457 . 1 1 1 A 44 44 ALA C C 44 180.958 179.033 1.925 1
1 458 . 1 1 1 A 44 44 ALA CA C 44 55.453 54.674 0.779 1
1 459 . 1 1 1 A 44 44 ALA CB C 44 18.553 19.426 -0.873 1
1 460 . 1 1 1 A 44 44 ALA N N 44 122.819 122.924 -0.105 1
1 461 . 1 1 1 A 45 45 VAL H H 45 8.400 7.359 1.041 1
1 462 . 1 1 1 A 45 45 VAL HA H 45 3.530 3.667 -0.137 1
1 470 . 1 1 1 A 45 45 VAL C C 45 176.465 177.022 -0.557 1
1 471 . 1 1 1 A 45 45 VAL CA C 45 65.075 64.691 0.384 1
1 472 . 1 1 1 A 45 45 VAL CB C 45 29.673 30.939 -1.266 1
1 475 . 1 1 1 A 45 45 VAL N N 45 120.862 116.877 3.985 1
1 476 . 1 1 1 A 46 46 ALA H H 46 8.225 7.936 0.289 1
1 477 . 1 1 1 A 46 46 ALA HA H 46 3.787 4.094 -0.307 1
1 481 . 1 1 1 A 46 46 ALA C C 46 180.205 179.740 0.465 1
1 482 . 1 1 1 A 46 46 ALA CA C 46 55.753 55.095 0.658 1
1 483 . 1 1 1 A 46 46 ALA CB C 46 18.516 18.702 -0.186 1
1 484 . 1 1 1 A 46 46 ALA N N 46 125.827 123.816 2.011 1
1 485 . 1 1 1 A 47 47 THR H H 47 7.850 7.308 0.542 1
1 486 . 1 1 1 A 47 47 THR HA H 47 4.084 4.009 0.075 1
1 491 . 1 1 1 A 47 47 THR C C 47 177.339 176.459 0.880 1
1 492 . 1 1 1 A 47 47 THR CA C 47 66.492 64.761 1.731 1
1 493 . 1 1 1 A 47 47 THR CB C 47 68.772 68.982 -0.210 1
1 495 . 1 1 1 A 47 47 THR N N 47 113.467 112.459 1.008 1
1 496 . 1 1 1 A 48 48 GLU H H 48 8.050 8.383 -0.333 1
1 497 . 1 1 1 A 48 48 GLU HA H 48 4.001 4.093 -0.092 1
1 502 . 1 1 1 A 48 48 GLU C C 48 178.457 178.584 -0.127 1
1 503 . 1 1 1 A 48 48 GLU CA C 48 60.174 58.531 1.643 1
1 504 . 1 1 1 A 48 48 GLU CB C 48 29.719 29.593 0.126 1
1 506 . 1 1 1 A 48 48 GLU N N 48 123.295 120.927 2.368 1
1 507 . 1 1 1 A 49 49 LEU H H 49 8.198 7.524 0.674 1
1 508 . 1 1 1 A 49 49 LEU HA H 49 4.215 4.239 -0.024 1
1 518 . 1 1 1 A 49 49 LEU C C 49 176.344 176.509 -0.165 1
1 519 . 1 1 1 A 49 49 LEU CA C 49 55.050 54.881 0.169 1
1 520 . 1 1 1 A 49 49 LEU CB C 49 42.861 42.344 0.517 1
1 524 . 1 1 1 A 49 49 LEU N N 49 115.963 118.019 -2.056 1
1 525 . 1 1 1 A 50 50 ASN H H 50 8.008 8.035 -0.027 1
1 526 . 1 1 1 A 50 50 ASN HA H 50 4.411 4.346 0.065 1
1 531 . 1 1 1 A 50 50 ASN C C 50 174.522 173.881 0.641 1
1 532 . 1 1 1 A 50 50 ASN CA C 50 54.159 54.150 0.009 1
1 533 . 1 1 1 A 50 50 ASN CB C 50 37.446 37.211 0.235 1
1 534 . 1 1 1 A 50 50 ASN N N 50 118.398 118.014 0.384 1
1 536 . 1 1 1 A 51 51 VAL H H 51 8.240 7.557 0.683 1
1 537 . 1 1 1 A 51 51 VAL HA H 51 4.792 4.873 -0.081 1
1 545 . 1 1 1 A 51 51 VAL C C 51 174.619 174.572 0.047 1
1 546 . 1 1 1 A 51 51 VAL CA C 51 58.674 58.540 0.134 1
1 547 . 1 1 1 A 51 51 VAL CB C 51 36.102 35.405 0.697 1
1 550 . 1 1 1 A 51 51 VAL N N 51 110.142 113.364 -3.222 1
1 551 . 1 1 1 A 52 52 ASP H H 52 8.164 8.633 -0.469 1
1 552 . 1 1 1 A 52 52 ASP HA H 52 4.597 4.401 0.196 1
1 555 . 1 1 1 A 52 52 ASP C C 52 178.262 177.360 0.902 1
1 556 . 1 1 1 A 52 52 ASP CA C 52 54.423 54.874 -0.451 1
1 557 . 1 1 1 A 52 52 ASP CB C 52 43.200 42.222 0.978 1
1 558 . 1 1 1 A 52 52 ASP N N 52 120.019 124.148 -4.129 1
1 559 . 1 1 1 A 53 53 CYS H H 53 8.967 9.066 -0.099 1
1 560 . 1 1 1 A 53 53 CYS HA H 53 3.862 4.093 -0.231 1
1 563 . 1 1 1 A 53 53 CYS C C 53 176.975 176.860 0.115 1
1 564 . 1 1 1 A 53 53 CYS CA C 53 63.438 62.368 1.070 1
1 565 . 1 1 1 A 53 53 CYS CB C 53 27.358 27.425 -0.067 1
1 566 . 1 1 1 A 53 53 CYS N N 53 122.121 126.118 -3.997 1
1 567 . 1 1 1 A 54 54 GLU H H 54 9.357 7.915 1.442 1
1 568 . 1 1 1 A 54 54 GLU HA H 54 4.083 4.071 0.012 1
1 573 . 1 1 1 A 54 54 GLU C C 54 179.064 179.011 0.053 1
1 574 . 1 1 1 A 54 54 GLU CA C 54 59.626 59.471 0.155 1
1 575 . 1 1 1 A 54 54 GLU CB C 54 29.178 29.436 -0.258 1
1 577 . 1 1 1 A 54 54 GLU N N 54 120.121 120.493 -0.372 1
1 578 . 1 1 1 A 55 55 ILE H H 55 7.650 8.269 -0.619 1
1 579 . 1 1 1 A 55 55 ILE HA H 55 4.005 3.844 0.161 1
1 589 . 1 1 1 A 55 55 ILE C C 55 179.331 178.579 0.752 1
1 590 . 1 1 1 A 55 55 ILE CA C 55 63.558 65.259 -1.701 1
1 591 . 1 1 1 A 55 55 ILE CB C 55 36.988 37.851 -0.863 1
1 595 . 1 1 1 A 55 55 ILE N N 55 119.061 119.901 -0.840 1
1 596 . 1 1 1 A 56 56 VAL H H 56 6.973 7.685 -0.712 1
1 597 . 1 1 1 A 56 56 VAL HA H 56 3.651 3.738 -0.087 1
1 605 . 1 1 1 A 56 56 VAL C C 56 177.874 178.118 -0.244 1
1 606 . 1 1 1 A 56 56 VAL CA C 56 66.847 66.387 0.460 1
1 607 . 1 1 1 A 56 56 VAL CB C 56 31.486 31.764 -0.278 1
1 610 . 1 1 1 A 56 56 VAL N N 56 121.206 121.281 -0.075 1
1 611 . 1 1 1 A 57 57 ARG H H 57 8.508 8.429 0.079 1
1 612 . 1 1 1 A 57 57 ARG HA H 57 3.928 4.091 -0.163 1
1 618 . 1 1 1 A 57 57 ARG C C 57 179.282 179.037 0.245 1
1 619 . 1 1 1 A 57 57 ARG CA C 57 61.095 60.156 0.939 1
1 620 . 1 1 1 A 57 57 ARG CB C 57 30.261 29.988 0.273 1
1 623 . 1 1 1 A 57 57 ARG N N 57 118.801 119.097 -0.296 1
1 624 . 1 1 1 A 58 58 THR H H 58 8.528 8.320 0.208 1
1 625 . 1 1 1 A 58 58 THR HA H 58 4.013 4.010 0.003 1
1 630 . 1 1 1 A 58 58 THR C C 58 175.518 176.317 -0.799 1
1 631 . 1 1 1 A 58 58 THR CA C 58 66.879 66.717 0.162 1
1 632 . 1 1 1 A 58 58 THR CB C 58 68.826 68.502 0.324 1
1 634 . 1 1 1 A 58 58 THR N N 58 117.805 117.535 0.270 1
1 635 . 1 1 1 A 59 59 TRP H H 59 7.904 8.014 -0.110 1
1 636 . 1 1 1 A 59 59 TRP HA H 59 4.228 4.382 -0.154 1
1 645 . 1 1 1 A 59 59 TRP C C 59 179.015 178.469 0.546 1
1 646 . 1 1 1 A 59 59 TRP CA C 59 63.377 61.501 1.876 1
1 647 . 1 1 1 A 59 59 TRP CB C 59 28.280 29.617 -1.337 1
1 653 . 1 1 1 A 59 59 TRP N N 59 124.326 123.515 0.811 1
1 655 . 1 1 1 A 60 60 ILE H H 60 8.799 8.295 0.504 1
1 656 . 1 1 1 A 60 60 ILE HA H 60 3.461 3.746 -0.285 1
1 666 . 1 1 1 A 60 60 ILE C C 60 178.481 177.976 0.505 1
1 667 . 1 1 1 A 60 60 ILE CA C 60 65.878 65.227 0.651 1
1 668 . 1 1 1 A 60 60 ILE CB C 60 39.399 38.264 1.135 1
1 672 . 1 1 1 A 60 60 ILE N N 60 119.831 119.856 -0.025 1
1 673 . 1 1 1 A 61 61 GLY H H 61 8.659 7.827 0.832 1
1 674 . 1 1 1 A 61 61 GLY HA2 H 61 3.705 3.816 -0.111 1
1 675 . 1 1 1 A 61 61 GLY HA3 H 61 4.118 3.817 0.301 1
1 676 . 1 1 1 A 61 61 GLY C C 61 176.878 176.118 0.760 1
1 677 . 1 1 1 A 61 61 GLY CA C 61 47.388 47.277 0.111 1
1 678 . 1 1 1 A 61 61 GLY N N 61 106.205 107.632 -1.427 1
1 679 . 1 1 1 A 62 62 ASN H H 62 8.408 7.965 0.443 1
1 680 . 1 1 1 A 62 62 ASN HA H 62 4.452 4.406 0.046 1
1 685 . 1 1 1 A 62 62 ASN C C 62 177.461 177.601 -0.140 1
1 686 . 1 1 1 A 62 62 ASN CA C 62 55.480 56.047 -0.567 1
1 687 . 1 1 1 A 62 62 ASN CB C 62 37.951 38.182 -0.231 1
1 688 . 1 1 1 A 62 62 ASN N N 62 120.644 120.026 0.618 1
1 690 . 1 1 1 A 63 63 ARG H H 63 7.816 7.679 0.137 1
1 691 . 1 1 1 A 63 63 ARG HA H 63 3.544 3.724 -0.180 1
1 698 . 1 1 1 A 63 63 ARG C C 63 178.189 178.296 -0.107 1
1 699 . 1 1 1 A 63 63 ARG CA C 63 59.219 59.410 -0.191 1
1 700 . 1 1 1 A 63 63 ARG CB C 63 29.077 29.712 -0.635 1
1 703 . 1 1 1 A 63 63 ARG N N 63 124.207 120.214 3.993 1
1 704 . 1 1 1 A 64 64 ARG H H 64 8.578 8.006 0.572 1
1 705 . 1 1 1 A 64 64 ARG HA H 64 4.057 4.219 -0.162 1
1 712 . 1 1 1 A 64 64 ARG C C 64 179.039 178.907 0.132 1
1 713 . 1 1 1 A 64 64 ARG CA C 64 60.190 60.123 0.067 1
1 714 . 1 1 1 A 64 64 ARG CB C 64 30.579 30.016 0.563 1
1 717 . 1 1 1 A 64 64 ARG N N 64 117.839 117.766 0.073 1
1 718 . 1 1 1 A 65 65 ARG H H 65 7.712 7.591 0.121 1
1 719 . 1 1 1 A 65 65 ARG HA H 65 4.091 4.017 0.074 1
1 726 . 1 1 1 A 65 65 ARG C C 65 178.214 178.323 -0.109 1
1 727 . 1 1 1 A 65 65 ARG CA C 65 59.556 59.255 0.301 1
1 728 . 1 1 1 A 65 65 ARG CB C 65 30.167 29.782 0.385 1
1 731 . 1 1 1 A 65 65 ARG N N 65 118.827 119.718 -0.891 1
1 732 . 1 1 1 A 66 66 LYS H H 66 7.848 7.683 0.165 1
1 733 . 1 1 1 A 66 66 LYS HA H 66 3.997 3.931 0.066 1
1 741 . 1 1 1 A 66 66 LYS C C 66 178.481 178.226 0.255 1
1 742 . 1 1 1 A 66 66 LYS CA C 66 59.110 59.309 -0.199 1
1 743 . 1 1 1 A 66 66 LYS CB C 66 32.226 32.010 0.216 1
1 747 . 1 1 1 A 66 66 LYS N N 66 120.251 119.253 0.998 1
1 748 . 1 1 1 A 67 67 TYR H H 67 8.324 7.697 0.627 1
1 749 . 1 1 1 A 67 67 TYR HA H 67 4.274 4.223 0.051 1
1 756 . 1 1 1 A 67 67 TYR C C 67 177.412 178.197 -0.785 1
1 757 . 1 1 1 A 67 67 TYR CA C 67 60.576 61.007 -0.431 1
1 758 . 1 1 1 A 67 67 TYR CB C 67 37.043 37.964 -0.921 1
1 763 . 1 1 1 A 67 67 TYR N N 67 118.725 119.017 -0.292 1
1 764 . 1 1 1 A 68 68 ARG H H 68 8.084 7.955 0.129 1
1 765 . 1 1 1 A 68 68 ARG HA H 68 4.218 4.112 0.106 1
1 772 . 1 1 1 A 68 68 ARG C C 68 179.209 178.536 0.673 1
1 773 . 1 1 1 A 68 68 ARG CA C 68 58.616 59.247 -0.631 1
1 774 . 1 1 1 A 68 68 ARG CB C 68 29.343 30.030 -0.687 1
1 777 . 1 1 1 A 68 68 ARG N N 68 119.763 119.996 -0.233 1
1 778 . 1 1 1 A 69 69 LEU H H 69 8.168 8.001 0.167 1
1 779 . 1 1 1 A 69 69 LEU HA H 69 4.244 4.026 0.218 1
1 789 . 1 1 1 A 69 69 LEU C C 69 178.457 179.221 -0.764 1
1 790 . 1 1 1 A 69 69 LEU CA C 69 56.981 57.966 -0.985 1
1 791 . 1 1 1 A 69 69 LEU CB C 69 41.955 41.501 0.454 1
1 795 . 1 1 1 A 69 69 LEU N N 69 120.874 119.386 1.488 1
1 796 . 1 1 1 A 70 70 MET H H 70 7.942 8.013 -0.071 1
1 797 . 1 1 1 A 70 70 MET HA H 70 4.440 4.450 -0.010 1
1 805 . 1 1 1 A 70 70 MET C C 70 176.417 176.683 -0.266 1
1 806 . 1 1 1 A 70 70 MET CA C 70 55.958 55.922 0.036 1
1 807 . 1 1 1 A 70 70 MET CB C 70 33.711 32.741 0.970 1
1 810 . 1 1 1 A 70 70 MET N N 70 117.335 115.181 2.154 1
1 811 . 1 1 1 A 71 71 GLY H H 71 8.107 8.305 -0.198 1
1 812 . 1 1 1 A 71 71 GLY HA2 H 71 3.906 4.011 -0.105 1
1 813 . 1 1 1 A 71 71 GLY HA3 H 71 4.055 4.014 0.041 1
1 814 . 1 1 1 A 71 71 GLY C C 71 174.255 174.604 -0.349 1
1 815 . 1 1 1 A 71 71 GLY CA C 71 45.852 45.876 -0.024 1
1 816 . 1 1 1 A 71 71 GLY N N 71 109.096 106.348 2.748 1
1 817 . 1 1 1 A 72 72 ILE H H 72 8.036 8.077 -0.041 1
1 818 . 1 1 1 A 72 72 ILE HA H 72 4.197 4.204 -0.007 1
1 828 . 1 1 1 A 72 72 ILE C C 72 175.712 176.526 -0.814 1
1 829 . 1 1 1 A 72 72 ILE CA C 72 60.626 60.581 0.045 1
1 830 . 1 1 1 A 72 72 ILE CB C 72 39.203 38.076 1.127 1
1 834 . 1 1 1 A 72 72 ILE N N 72 120.615 120.713 -0.098 1
1 835 . 1 1 1 A 73 73 GLU H H 73 8.523 8.730 -0.207 1
1 836 . 1 1 1 A 73 73 GLU HA H 73 4.306 4.397 -0.091 1
1 841 . 1 1 1 A 73 73 GLU C C 73 176.417 176.178 0.239 1
1 842 . 1 1 1 A 73 73 GLU CA C 73 56.551 56.325 0.226 1
1 843 . 1 1 1 A 73 73 GLU CB C 73 30.167 28.960 1.207 1
1 845 . 1 1 1 A 73 73 GLU N N 73 125.837 123.913 1.924 1
1 846 . 1 1 1 A 74 74 VAL H H 74 8.319 7.593 0.726 1
1 847 . 1 1 1 A 74 74 VAL HA H 74 4.187 4.126 0.061 1
1 855 . 1 1 1 A 74 74 VAL C C 74 176.052 175.938 0.114 1
1 856 . 1 1 1 A 74 74 VAL CA C 74 62.103 61.169 0.934 1
1 857 . 1 1 1 A 74 74 VAL CB C 74 33.063 30.192 2.871 1
1 860 . 1 1 1 A 74 74 VAL N N 74 122.642 120.601 2.041 1
1 861 . 1 1 1 A 75 75 SER H H 75 8.460 8.048 0.412 1
1 862 . 1 1 1 A 75 75 SER HA H 75 4.469 4.211 0.258 1
1 865 . 1 1 1 A 75 75 SER C C 75 174.547 174.490 0.057 1
1 866 . 1 1 1 A 75 75 SER CA C 75 58.413 61.012 -2.599 1
1 867 . 1 1 1 A 75 75 SER CB C 75 64.015 63.878 0.137 1
1 868 . 1 1 1 A 75 75 SER N N 75 120.411 121.263 -0.852 1
1 869 . 1 1 1 A 76 76 GLY H H 76 8.307 7.374 0.933 1
1 870 . 1 1 1 A 76 76 GLY HA2 H 76 4.096 4.072 0.024 1
1 871 . 1 1 1 A 76 76 GLY C C 76 171.729 172.546 -0.817 1
1 872 . 1 1 1 A 76 76 GLY CA C 76 44.566 45.797 -1.231 1
1 873 . 1 1 1 A 76 76 GLY N N 76 110.975 107.423 3.552 1
1 874 . 1 1 1 A 77 77 PRO HA H 77 4.508 4.534 -0.026 1
1 880 . 1 1 1 A 77 77 PRO CA C 77 63.054 62.476 0.578 1
1 881 . 1 1 1 A 77 77 PRO CB C 77 32.299 32.978 -0.679 1
1 884 . 1 1 1 A 79 79 SER HA H 79 4.507 4.709 -0.202 1
1 887 . 1 1 1 A 79 79 SER C C 79 173.939 173.021 0.918 1
1 888 . 1 1 1 A 79 79 SER CA C 79 58.427 57.669 0.758 1
1 889 . 1 1 1 A 79 79 SER CB C 79 64.293 65.691 -1.398 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.969 4.165 -0.196 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.969 4.166 -0.197 1
1 3 . 2 1 1 A 7 7 GLY C C 7 173.939 172.554 1.385 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.342 44.276 1.066 1
1 5 . 2 1 1 A 8 8 ALA H H 8 8.128 8.253 -0.125 1
1 6 . 2 1 1 A 8 8 ALA HA H 8 4.329 4.711 -0.382 1
1 10 . 2 1 1 A 8 8 ALA C C 8 177.971 175.717 2.254 1
1 11 . 2 1 1 A 8 8 ALA CA C 8 52.565 50.942 1.623 1
1 12 . 2 1 1 A 8 8 ALA CB C 8 19.287 19.582 -0.295 1
1 13 . 2 1 1 A 8 8 ALA N N 8 123.703 122.052 1.651 1
1 14 . 2 1 1 A 9 9 LEU H H 9 8.240 8.995 -0.755 1
1 15 . 2 1 1 A 9 9 LEU HA H 9 4.304 4.933 -0.629 1
1 25 . 2 1 1 A 9 9 LEU C C 9 177.655 175.464 2.191 1
1 26 . 2 1 1 A 9 9 LEU CA C 9 55.570 54.027 1.543 1
1 27 . 2 1 1 A 9 9 LEU CB C 9 42.202 45.517 -3.315 1
1 31 . 2 1 1 A 9 9 LEU N N 9 121.161 124.465 -3.304 1
1 32 . 2 1 1 A 10 10 GLN H H 10 8.305 8.791 -0.486 1
1 33 . 2 1 1 A 10 10 GLN HA H 10 4.313 4.308 0.005 1
1 40 . 2 1 1 A 10 10 GLN C C 10 175.737 174.861 0.876 1
1 41 . 2 1 1 A 10 10 GLN CA C 10 56.099 56.432 -0.333 1
1 42 . 2 1 1 A 10 10 GLN CB C 10 29.425 29.706 -0.281 1
1 44 . 2 1 1 A 10 10 GLN N N 10 120.538 127.835 -7.297 1
1 46 . 2 1 1 A 11 11 ASP H H 11 8.306 8.967 -0.661 1
1 47 . 2 1 1 A 11 11 ASP HA H 11 4.589 5.143 -0.554 1
1 50 . 2 1 1 A 11 11 ASP C C 11 176.319 173.611 2.708 1
1 51 . 2 1 1 A 11 11 ASP CA C 11 54.583 53.283 1.300 1
1 52 . 2 1 1 A 11 11 ASP CB C 11 41.204 44.244 -3.040 1
1 53 . 2 1 1 A 11 11 ASP N N 11 121.418 123.829 -2.411 1
1 54 . 2 1 1 A 12 12 ARG H H 12 8.257 8.627 -0.370 1
1 55 . 2 1 1 A 12 12 ARG HA H 12 4.408 5.012 -0.604 1
1 62 . 2 1 1 A 12 12 ARG C C 12 176.295 175.188 1.107 1
1 63 . 2 1 1 A 12 12 ARG CA C 12 56.088 54.590 1.498 1
1 64 . 2 1 1 A 12 12 ARG CB C 12 30.579 33.090 -2.511 1
1 67 . 2 1 1 A 12 12 ARG N N 12 121.271 120.713 0.558 1
1 68 . 2 1 1 A 13 13 THR H H 13 8.189 8.703 -0.514 1
1 69 . 2 1 1 A 13 13 THR HA H 13 4.193 4.481 -0.288 1
1 74 . 2 1 1 A 13 13 THR C C 13 174.121 174.614 -0.493 1
1 75 . 2 1 1 A 13 13 THR CA C 13 62.448 62.663 -0.215 1
1 76 . 2 1 1 A 13 13 THR CB C 13 69.697 69.608 0.089 1
1 78 . 2 1 1 A 13 13 THR N N 13 114.810 121.071 -6.261 1
1 79 . 2 1 1 A 14 14 GLN H H 14 8.130 8.335 -0.205 1
1 80 . 2 1 1 A 14 14 GLN HA H 14 4.314 4.544 -0.230 1
1 87 . 2 1 1 A 14 14 GLN C C 14 175.275 175.263 0.012 1
1 88 . 2 1 1 A 14 14 GLN CA C 14 55.253 55.674 -0.421 1
1 89 . 2 1 1 A 14 14 GLN CB C 14 29.838 30.603 -0.765 1
1 91 . 2 1 1 A 14 14 GLN N N 14 122.533 125.837 -3.304 1
1 93 . 2 1 1 A 15 15 PHE H H 15 8.151 9.022 -0.871 1
1 94 . 2 1 1 A 15 15 PHE HA H 15 5.009 5.090 -0.081 1
1 102 . 2 1 1 A 15 15 PHE C C 15 176.465 175.550 0.915 1
1 103 . 2 1 1 A 15 15 PHE CA C 15 57.157 56.907 0.250 1
1 104 . 2 1 1 A 15 15 PHE CB C 15 40.996 41.719 -0.723 1
1 110 . 2 1 1 A 15 15 PHE N N 15 120.835 121.296 -0.461 1
1 111 . 2 1 1 A 16 16 SER H H 16 9.565 8.958 0.607 1
1 112 . 2 1 1 A 16 16 SER HA H 16 4.610 4.724 -0.114 1
1 115 . 2 1 1 A 16 16 SER C C 16 174.547 174.983 -0.436 1
1 116 . 2 1 1 A 16 16 SER CA C 16 56.946 57.202 -0.256 1
1 117 . 2 1 1 A 16 16 SER CB C 16 65.545 65.742 -0.197 1
1 118 . 2 1 1 A 16 16 SER N N 16 119.442 118.115 1.327 1
1 119 . 2 1 1 A 17 17 ASP H H 17 8.947 9.087 -0.140 1
1 120 . 2 1 1 A 17 17 ASP HA H 17 4.386 4.285 0.101 1
1 123 . 2 1 1 A 17 17 ASP C C 17 179.331 178.384 0.947 1
1 124 . 2 1 1 A 17 17 ASP CA C 17 58.074 58.095 -0.021 1
1 125 . 2 1 1 A 17 17 ASP CB C 17 39.875 40.175 -0.300 1
1 126 . 2 1 1 A 17 17 ASP N N 17 120.645 124.738 -4.093 1
1 127 . 2 1 1 A 18 18 ARG H H 18 8.302 8.033 0.269 1
1 128 . 2 1 1 A 18 18 ARG HA H 18 4.098 3.975 0.123 1
1 135 . 2 1 1 A 18 18 ARG C C 18 178.699 178.742 -0.043 1
1 136 . 2 1 1 A 18 18 ARG CA C 18 59.203 59.648 -0.445 1
1 137 . 2 1 1 A 18 18 ARG CB C 18 29.920 29.941 -0.021 1
1 140 . 2 1 1 A 18 18 ARG N N 18 121.398 120.773 0.625 1
1 141 . 2 1 1 A 19 19 ASP H H 19 7.853 8.058 -0.205 1
1 142 . 2 1 1 A 19 19 ASP HA H 19 4.151 4.296 -0.145 1
1 145 . 2 1 1 A 19 19 ASP C C 19 178.384 178.580 -0.196 1
1 146 . 2 1 1 A 19 19 ASP CA C 19 57.348 57.118 0.230 1
1 147 . 2 1 1 A 19 19 ASP CB C 19 40.392 40.911 -0.519 1
1 148 . 2 1 1 A 19 19 ASP N N 19 122.636 119.556 3.080 1
1 149 . 2 1 1 A 20 20 LEU H H 20 8.335 8.506 -0.171 1
1 150 . 2 1 1 A 20 20 LEU HA H 20 3.635 3.653 -0.018 1
1 160 . 2 1 1 A 20 20 LEU C C 20 179.234 179.097 0.137 1
1 161 . 2 1 1 A 20 20 LEU CA C 20 57.587 57.953 -0.366 1
1 162 . 2 1 1 A 20 20 LEU CB C 20 41.658 41.512 0.146 1
1 166 . 2 1 1 A 20 20 LEU N N 20 118.845 119.561 -0.716 1
1 167 . 2 1 1 A 21 21 ALA H H 21 7.905 8.205 -0.300 1
1 168 . 2 1 1 A 21 21 ALA HA H 21 4.123 4.043 0.080 1
1 172 . 2 1 1 A 21 21 ALA C C 21 181.031 179.982 1.049 1
1 173 . 2 1 1 A 21 21 ALA CA C 21 55.103 55.361 -0.258 1
1 174 . 2 1 1 A 21 21 ALA CB C 21 17.709 18.361 -0.652 1
1 175 . 2 1 1 A 21 21 ALA N N 21 122.007 121.044 0.963 1
1 176 . 2 1 1 A 22 22 THR H H 22 7.886 8.283 -0.397 1
1 177 . 2 1 1 A 22 22 THR HA H 22 3.954 3.845 0.109 1
1 182 . 2 1 1 A 22 22 THR C C 22 175.834 176.272 -0.438 1
1 183 . 2 1 1 A 22 22 THR CA C 22 67.081 67.257 -0.176 1
1 184 . 2 1 1 A 22 22 THR CB C 22 68.253 68.853 -0.600 1
1 186 . 2 1 1 A 22 22 THR N N 22 119.042 114.610 4.432 1
1 187 . 2 1 1 A 23 23 LEU H H 23 8.036 7.766 0.270 1
1 188 . 2 1 1 A 23 23 LEU HA H 23 3.404 3.771 -0.367 1
1 198 . 2 1 1 A 23 23 LEU C C 23 178.335 178.614 -0.279 1
1 199 . 2 1 1 A 23 23 LEU CA C 23 59.230 58.126 1.104 1
1 200 . 2 1 1 A 23 23 LEU CB C 23 39.399 41.303 -1.904 1
1 204 . 2 1 1 A 23 23 LEU N N 23 123.450 119.818 3.632 1
1 205 . 2 1 1 A 24 24 LYS H H 24 8.166 8.272 -0.106 1
1 206 . 2 1 1 A 24 24 LYS HA H 24 4.074 4.065 0.009 1
1 215 . 2 1 1 A 24 24 LYS C C 24 177.631 179.251 -1.620 1
1 216 . 2 1 1 A 24 24 LYS CA C 24 60.367 60.473 -0.106 1
1 217 . 2 1 1 A 24 24 LYS CB C 24 32.554 32.365 0.189 1
1 221 . 2 1 1 A 24 24 LYS N N 24 117.974 116.860 1.114 1
1 222 . 2 1 1 A 25 25 LYS H H 25 7.837 7.749 0.088 1
1 223 . 2 1 1 A 25 25 LYS HA H 25 4.205 4.004 0.201 1
1 232 . 2 1 1 A 25 25 LYS C C 25 179.695 178.549 1.146 1
1 233 . 2 1 1 A 25 25 LYS CA C 25 59.704 59.142 0.562 1
1 234 . 2 1 1 A 25 25 LYS CB C 25 31.816 32.074 -0.258 1
1 238 . 2 1 1 A 25 25 LYS N N 25 120.567 120.139 0.428 1
1 239 . 2 1 1 A 26 26 TYR H H 26 8.158 8.133 0.025 1
1 240 . 2 1 1 A 26 26 TYR HA H 26 4.089 4.250 -0.161 1
1 247 . 2 1 1 A 26 26 TYR C C 26 180.035 178.782 1.253 1
1 248 . 2 1 1 A 26 26 TYR CA C 26 63.104 60.134 2.970 1
1 249 . 2 1 1 A 26 26 TYR CB C 26 36.926 38.047 -1.121 1
1 254 . 2 1 1 A 26 26 TYR N N 26 118.591 118.751 -0.160 1
1 255 . 2 1 1 A 27 27 TRP H H 27 9.294 8.022 1.272 1
1 256 . 2 1 1 A 27 27 TRP HA H 27 4.349 4.366 -0.017 1
1 265 . 2 1 1 A 27 27 TRP C C 27 179.209 178.456 0.753 1
1 266 . 2 1 1 A 27 27 TRP CA C 27 61.357 60.558 0.799 1
1 267 . 2 1 1 A 27 27 TRP CB C 27 28.481 29.989 -1.508 1
1 273 . 2 1 1 A 27 27 TRP N N 27 125.036 122.425 2.611 1
1 275 . 2 1 1 A 28 28 ASP H H 28 9.354 8.262 1.092 1
1 276 . 2 1 1 A 28 28 ASP HA H 28 4.479 4.684 -0.205 1
1 279 . 2 1 1 A 28 28 ASP C C 28 176.999 177.079 -0.080 1
1 280 . 2 1 1 A 28 28 ASP CA C 28 57.024 56.708 0.316 1
1 281 . 2 1 1 A 28 28 ASP CB C 28 39.894 40.703 -0.809 1
1 282 . 2 1 1 A 28 28 ASP N N 28 121.650 119.496 2.154 1
1 283 . 2 1 1 A 29 29 ASN H H 29 7.569 8.267 -0.698 1
1 284 . 2 1 1 A 29 29 ASN HA H 29 4.905 4.978 -0.073 1
1 289 . 2 1 1 A 29 29 ASN C C 29 174.935 175.617 -0.682 1
1 290 . 2 1 1 A 29 29 ASN CA C 29 52.819 52.473 0.346 1
1 291 . 2 1 1 A 29 29 ASN CB C 29 39.320 39.150 0.170 1
1 292 . 2 1 1 A 29 29 ASN N N 29 116.912 115.745 1.167 1
1 294 . 2 1 1 A 30 30 GLY H H 30 7.695 7.834 -0.139 1
1 295 . 2 1 1 A 30 30 GLY HA2 H 30 3.603 3.687 -0.084 1
1 296 . 2 1 1 A 30 30 GLY HA3 H 30 4.489 3.846 0.643 1
1 297 . 2 1 1 A 30 30 GLY C C 30 174.571 174.788 -0.217 1
1 298 . 2 1 1 A 30 30 GLY CA C 30 45.332 46.426 -1.094 1
1 299 . 2 1 1 A 30 30 GLY N N 30 105.356 108.337 -2.981 1
1 300 . 2 1 1 A 31 31 MET H H 31 8.574 7.952 0.622 1
1 301 . 2 1 1 A 31 31 MET HA H 31 4.769 4.511 0.258 1
1 309 . 2 1 1 A 31 31 MET C C 31 173.381 176.586 -3.205 1
1 310 . 2 1 1 A 31 31 MET CA C 31 54.301 54.428 -0.127 1
1 311 . 2 1 1 A 31 31 MET CB C 31 31.899 32.291 -0.392 1
1 314 . 2 1 1 A 31 31 MET N N 31 125.209 120.346 4.863 1
1 315 . 2 1 1 A 32 32 THR H H 32 7.284 7.401 -0.117 1
1 316 . 2 1 1 A 32 32 THR HA H 32 4.003 4.056 -0.053 1
1 321 . 2 1 1 A 32 32 THR C C 32 173.721 175.151 -1.430 1
1 322 . 2 1 1 A 32 32 THR CA C 32 59.873 63.026 -3.153 1
1 323 . 2 1 1 A 32 32 THR CB C 32 69.651 68.897 0.754 1
1 325 . 2 1 1 A 32 32 THR N N 32 108.409 113.032 -4.623 1
1 326 . 2 1 1 A 33 33 SER H H 33 7.809 7.572 0.237 1
1 327 . 2 1 1 A 33 33 SER HA H 33 4.614 4.319 0.295 1
1 330 . 2 1 1 A 33 33 SER C C 33 171.608 173.477 -1.869 1
1 331 . 2 1 1 A 33 33 SER CA C 33 56.764 59.160 -2.396 1
1 332 . 2 1 1 A 33 33 SER CB C 33 65.653 63.829 1.824 1
1 333 . 2 1 1 A 33 33 SER N N 33 115.742 118.424 -2.682 1
1 334 . 2 1 1 A 34 34 LEU H H 34 8.284 8.648 -0.364 1
1 335 . 2 1 1 A 34 34 LEU HA H 34 4.488 4.369 0.119 1
1 345 . 2 1 1 A 34 34 LEU C C 34 178.335 177.627 0.708 1
1 346 . 2 1 1 A 34 34 LEU CA C 34 54.583 55.312 -0.729 1
1 347 . 2 1 1 A 34 34 LEU CB C 34 41.872 42.626 -0.754 1
1 351 . 2 1 1 A 34 34 LEU N N 34 116.566 125.790 -9.224 1
1 352 . 2 1 1 A 35 35 GLY H H 35 8.159 8.068 0.091 1
1 353 . 2 1 1 A 35 35 GLY HA2 H 35 4.239 4.011 0.228 1
1 354 . 2 1 1 A 35 35 GLY HA3 H 35 3.949 4.015 -0.066 1
1 355 . 2 1 1 A 35 35 GLY C C 35 175.299 175.496 -0.197 1
1 356 . 2 1 1 A 35 35 GLY CA C 35 44.707 45.373 -0.666 1
1 357 . 2 1 1 A 35 35 GLY N N 35 106.688 107.739 -1.051 1
1 358 . 2 1 1 A 36 36 SER HA H 36 4.123 4.102 0.021 1
1 360 . 2 1 1 A 36 36 SER CA C 36 61.785 61.460 0.325 1
1 361 . 2 1 1 A 36 36 SER CB C 36 62.793 62.717 0.076 1
1 362 . 2 1 1 A 37 37 VAL HA H 37 4.155 3.706 0.449 1
1 370 . 2 1 1 A 37 37 VAL C C 37 177.048 177.316 -0.268 1
1 371 . 2 1 1 A 37 37 VAL CA C 37 64.423 65.117 -0.694 1
1 372 . 2 1 1 A 37 37 VAL CB C 37 31.486 31.581 -0.095 1
1 375 . 2 1 1 A 38 38 CYS H H 38 7.746 7.996 -0.250 1
1 376 . 2 1 1 A 38 38 CYS HA H 38 4.787 4.485 0.302 1
1 379 . 2 1 1 A 38 38 CYS C C 38 174.522 176.176 -1.654 1
1 380 . 2 1 1 A 38 38 CYS CA C 38 59.344 59.885 -0.541 1
1 381 . 2 1 1 A 38 38 CYS CB C 38 29.261 29.207 0.054 1
1 382 . 2 1 1 A 38 38 CYS N N 38 116.501 118.831 -2.330 1
1 383 . 2 1 1 A 39 39 ARG H H 39 7.633 8.459 -0.826 1
1 384 . 2 1 1 A 39 39 ARG HA H 39 3.847 3.934 -0.087 1
1 390 . 2 1 1 A 39 39 ARG C C 39 177.315 178.816 -1.501 1
1 391 . 2 1 1 A 39 39 ARG CA C 39 60.952 59.397 1.555 1
1 392 . 2 1 1 A 39 39 ARG CB C 39 30.332 29.973 0.359 1
1 395 . 2 1 1 A 39 39 ARG N N 39 122.520 122.790 -0.270 1
1 396 . 2 1 1 A 40 40 GLU H H 40 8.827 8.377 0.450 1
1 397 . 2 1 1 A 40 40 GLU HA H 40 4.070 4.015 0.055 1
1 402 . 2 1 1 A 40 40 GLU C C 40 179.719 179.168 0.551 1
1 403 . 2 1 1 A 40 40 GLU CA C 40 60.065 59.151 0.914 1
1 404 . 2 1 1 A 40 40 GLU CB C 40 29.094 29.409 -0.315 1
1 406 . 2 1 1 A 40 40 GLU N N 40 116.909 117.744 -0.835 1
1 407 . 2 1 1 A 41 41 LYS H H 41 7.660 7.944 -0.284 1
1 408 . 2 1 1 A 41 41 LYS HA H 41 4.293 4.043 0.250 1
1 416 . 2 1 1 A 41 41 LYS C C 41 176.854 179.226 -2.372 1
1 417 . 2 1 1 A 41 41 LYS CA C 41 59.908 58.949 0.959 1
1 418 . 2 1 1 A 41 41 LYS CB C 41 33.704 32.013 1.691 1
1 422 . 2 1 1 A 41 41 LYS N N 41 120.497 118.802 1.695 1
1 423 . 2 1 1 A 42 42 ILE H H 42 8.050 8.033 0.017 1
1 424 . 2 1 1 A 42 42 ILE HA H 42 3.756 3.563 0.193 1
1 434 . 2 1 1 A 42 42 ILE C C 42 177.607 177.831 -0.224 1
1 435 . 2 1 1 A 42 42 ILE CA C 42 65.460 64.916 0.544 1
1 436 . 2 1 1 A 42 42 ILE CB C 42 38.516 37.371 1.145 1
1 440 . 2 1 1 A 42 42 ILE N N 42 119.276 120.490 -1.214 1
1 441 . 2 1 1 A 43 43 GLU H H 43 8.142 8.174 -0.032 1
1 442 . 2 1 1 A 43 43 GLU HA H 43 4.011 4.003 0.008 1
1 447 . 2 1 1 A 43 43 GLU C C 43 179.477 178.403 1.074 1
1 448 . 2 1 1 A 43 43 GLU CA C 43 59.340 59.059 0.281 1
1 449 . 2 1 1 A 43 43 GLU CB C 43 29.425 29.388 0.037 1
1 451 . 2 1 1 A 43 43 GLU N N 43 116.432 120.266 -3.834 1
1 452 . 2 1 1 A 44 44 ALA H H 44 8.053 8.075 -0.022 1
1 453 . 2 1 1 A 44 44 ALA HA H 44 4.217 4.220 -0.003 1
1 457 . 2 1 1 A 44 44 ALA C C 44 180.958 179.050 1.908 1
1 458 . 2 1 1 A 44 44 ALA CA C 44 55.453 54.624 0.829 1
1 459 . 2 1 1 A 44 44 ALA CB C 44 18.553 19.583 -1.030 1
1 460 . 2 1 1 A 44 44 ALA N N 44 122.819 122.877 -0.058 1
1 461 . 2 1 1 A 45 45 VAL H H 45 8.400 7.310 1.090 1
1 462 . 2 1 1 A 45 45 VAL HA H 45 3.530 3.684 -0.154 1
1 470 . 2 1 1 A 45 45 VAL C C 45 176.465 177.036 -0.571 1
1 471 . 2 1 1 A 45 45 VAL CA C 45 65.075 64.706 0.369 1
1 472 . 2 1 1 A 45 45 VAL CB C 45 29.673 30.846 -1.173 1
1 475 . 2 1 1 A 45 45 VAL N N 45 120.862 116.851 4.011 1
1 476 . 2 1 1 A 46 46 ALA H H 46 8.225 7.684 0.541 1
1 477 . 2 1 1 A 46 46 ALA HA H 46 3.787 4.152 -0.365 1
1 481 . 2 1 1 A 46 46 ALA C C 46 180.205 179.943 0.262 1
1 482 . 2 1 1 A 46 46 ALA CA C 46 55.753 54.868 0.885 1
1 483 . 2 1 1 A 46 46 ALA CB C 46 18.516 18.576 -0.060 1
1 484 . 2 1 1 A 46 46 ALA N N 46 125.827 123.719 2.108 1
1 485 . 2 1 1 A 47 47 THR H H 47 7.850 7.648 0.202 1
1 486 . 2 1 1 A 47 47 THR HA H 47 4.084 4.032 0.052 1
1 491 . 2 1 1 A 47 47 THR C C 47 177.339 176.507 0.832 1
1 492 . 2 1 1 A 47 47 THR CA C 47 66.492 64.724 1.768 1
1 493 . 2 1 1 A 47 47 THR CB C 47 68.772 69.006 -0.234 1
1 495 . 2 1 1 A 47 47 THR N N 47 113.467 112.618 0.849 1
1 496 . 2 1 1 A 48 48 GLU H H 48 8.050 8.241 -0.191 1
1 497 . 2 1 1 A 48 48 GLU HA H 48 4.001 4.108 -0.107 1
1 502 . 2 1 1 A 48 48 GLU C C 48 178.457 178.382 0.075 1
1 503 . 2 1 1 A 48 48 GLU CA C 48 60.174 58.676 1.498 1
1 504 . 2 1 1 A 48 48 GLU CB C 48 29.719 29.733 -0.014 1
1 506 . 2 1 1 A 48 48 GLU N N 48 123.295 120.993 2.302 1
1 507 . 2 1 1 A 49 49 LEU H H 49 8.198 7.538 0.660 1
1 508 . 2 1 1 A 49 49 LEU HA H 49 4.215 4.278 -0.063 1
1 518 . 2 1 1 A 49 49 LEU C C 49 176.344 175.935 0.409 1
1 519 . 2 1 1 A 49 49 LEU CA C 49 55.050 54.885 0.165 1
1 520 . 2 1 1 A 49 49 LEU CB C 49 42.861 42.130 0.731 1
1 524 . 2 1 1 A 49 49 LEU N N 49 115.963 118.067 -2.104 1
1 525 . 2 1 1 A 50 50 ASN H H 50 8.008 7.680 0.328 1
1 526 . 2 1 1 A 50 50 ASN HA H 50 4.411 4.274 0.137 1
1 531 . 2 1 1 A 50 50 ASN C C 50 174.522 173.659 0.863 1
1 532 . 2 1 1 A 50 50 ASN CA C 50 54.159 54.510 -0.351 1
1 533 . 2 1 1 A 50 50 ASN CB C 50 37.446 36.727 0.719 1
1 534 . 2 1 1 A 50 50 ASN N N 50 118.398 115.425 2.973 1
1 536 . 2 1 1 A 51 51 VAL H H 51 8.240 7.825 0.415 1
1 537 . 2 1 1 A 51 51 VAL HA H 51 4.792 4.824 -0.032 1
1 545 . 2 1 1 A 51 51 VAL C C 51 174.619 174.510 0.109 1
1 546 . 2 1 1 A 51 51 VAL CA C 51 58.674 58.795 -0.121 1
1 547 . 2 1 1 A 51 51 VAL CB C 51 36.102 35.271 0.831 1
1 550 . 2 1 1 A 51 51 VAL N N 51 110.142 111.609 -1.467 1
1 551 . 2 1 1 A 52 52 ASP H H 52 8.164 8.649 -0.485 1
1 552 . 2 1 1 A 52 52 ASP HA H 52 4.597 4.592 0.005 1
1 555 . 2 1 1 A 52 52 ASP C C 52 178.262 178.151 0.111 1
1 556 . 2 1 1 A 52 52 ASP CA C 52 54.423 54.774 -0.351 1
1 557 . 2 1 1 A 52 52 ASP CB C 52 43.200 40.948 2.252 1
1 558 . 2 1 1 A 52 52 ASP N N 52 120.019 122.817 -2.798 1
1 559 . 2 1 1 A 53 53 CYS H H 53 8.967 9.058 -0.091 1
1 560 . 2 1 1 A 53 53 CYS HA H 53 3.862 4.069 -0.207 1
1 563 . 2 1 1 A 53 53 CYS C C 53 176.975 177.087 -0.112 1
1 564 . 2 1 1 A 53 53 CYS CA C 53 63.438 62.325 1.113 1
1 565 . 2 1 1 A 53 53 CYS CB C 53 27.358 27.390 -0.032 1
1 566 . 2 1 1 A 53 53 CYS N N 53 122.121 123.478 -1.357 1
1 567 . 2 1 1 A 54 54 GLU H H 54 9.357 8.126 1.231 1
1 568 . 2 1 1 A 54 54 GLU HA H 54 4.083 4.084 -0.001 1
1 573 . 2 1 1 A 54 54 GLU C C 54 179.064 179.309 -0.245 1
1 574 . 2 1 1 A 54 54 GLU CA C 54 59.626 59.514 0.112 1
1 575 . 2 1 1 A 54 54 GLU CB C 54 29.178 29.434 -0.256 1
1 577 . 2 1 1 A 54 54 GLU N N 54 120.121 120.606 -0.485 1
1 578 . 2 1 1 A 55 55 ILE H H 55 7.650 8.401 -0.751 1
1 579 . 2 1 1 A 55 55 ILE HA H 55 4.005 3.817 0.188 1
1 589 . 2 1 1 A 55 55 ILE C C 55 179.331 178.680 0.651 1
1 590 . 2 1 1 A 55 55 ILE CA C 55 63.558 65.460 -1.902 1
1 591 . 2 1 1 A 55 55 ILE CB C 55 36.988 38.065 -1.077 1
1 595 . 2 1 1 A 55 55 ILE N N 55 119.061 121.151 -2.090 1
1 596 . 2 1 1 A 56 56 VAL H H 56 6.973 7.600 -0.627 1
1 597 . 2 1 1 A 56 56 VAL HA H 56 3.651 3.638 0.013 1
1 605 . 2 1 1 A 56 56 VAL C C 56 177.874 178.118 -0.244 1
1 606 . 2 1 1 A 56 56 VAL CA C 56 66.847 66.666 0.181 1
1 607 . 2 1 1 A 56 56 VAL CB C 56 31.486 31.780 -0.294 1
1 610 . 2 1 1 A 56 56 VAL N N 56 121.206 120.534 0.672 1
1 611 . 2 1 1 A 57 57 ARG H H 57 8.508 8.466 0.042 1
1 612 . 2 1 1 A 57 57 ARG HA H 57 3.928 4.058 -0.130 1
1 618 . 2 1 1 A 57 57 ARG C C 57 179.282 178.445 0.837 1
1 619 . 2 1 1 A 57 57 ARG CA C 57 61.095 59.297 1.798 1
1 620 . 2 1 1 A 57 57 ARG CB C 57 30.261 30.037 0.224 1
1 623 . 2 1 1 A 57 57 ARG N N 57 118.801 120.335 -1.534 1
1 624 . 2 1 1 A 58 58 THR H H 58 8.528 7.952 0.576 1
1 625 . 2 1 1 A 58 58 THR HA H 58 4.013 4.003 0.010 1
1 630 . 2 1 1 A 58 58 THR C C 58 175.518 176.290 -0.772 1
1 631 . 2 1 1 A 58 58 THR CA C 58 66.879 66.424 0.455 1
1 632 . 2 1 1 A 58 58 THR CB C 58 68.826 68.382 0.444 1
1 634 . 2 1 1 A 58 58 THR N N 58 117.805 115.695 2.110 1
1 635 . 2 1 1 A 59 59 TRP H H 59 7.904 7.946 -0.042 1
1 636 . 2 1 1 A 59 59 TRP HA H 59 4.228 4.391 -0.163 1
1 645 . 2 1 1 A 59 59 TRP C C 59 179.015 178.520 0.495 1
1 646 . 2 1 1 A 59 59 TRP CA C 59 63.377 61.501 1.876 1
1 647 . 2 1 1 A 59 59 TRP CB C 59 28.280 29.576 -1.296 1
1 653 . 2 1 1 A 59 59 TRP N N 59 124.326 123.534 0.792 1
1 655 . 2 1 1 A 60 60 ILE H H 60 8.799 8.474 0.325 1
1 656 . 2 1 1 A 60 60 ILE HA H 60 3.461 3.749 -0.288 1
1 666 . 2 1 1 A 60 60 ILE C C 60 178.481 178.010 0.471 1
1 667 . 2 1 1 A 60 60 ILE CA C 60 65.878 65.162 0.716 1
1 668 . 2 1 1 A 60 60 ILE CB C 60 39.399 38.245 1.154 1
1 672 . 2 1 1 A 60 60 ILE N N 60 119.831 119.497 0.334 1
1 673 . 2 1 1 A 61 61 GLY H H 61 8.659 7.813 0.846 1
1 674 . 2 1 1 A 61 61 GLY HA2 H 61 3.705 3.835 -0.130 1
1 675 . 2 1 1 A 61 61 GLY HA3 H 61 4.118 3.836 0.282 1
1 676 . 2 1 1 A 61 61 GLY C C 61 176.878 176.643 0.235 1
1 677 . 2 1 1 A 61 61 GLY CA C 61 47.388 47.184 0.204 1
1 678 . 2 1 1 A 61 61 GLY N N 61 106.205 107.922 -1.717 1
1 679 . 2 1 1 A 62 62 ASN H H 62 8.408 7.625 0.783 1
1 680 . 2 1 1 A 62 62 ASN HA H 62 4.452 4.346 0.106 1
1 685 . 2 1 1 A 62 62 ASN C C 62 177.461 177.532 -0.071 1
1 686 . 2 1 1 A 62 62 ASN CA C 62 55.480 55.774 -0.294 1
1 687 . 2 1 1 A 62 62 ASN CB C 62 37.951 38.076 -0.125 1
1 688 . 2 1 1 A 62 62 ASN N N 62 120.644 120.429 0.215 1
1 690 . 2 1 1 A 63 63 ARG H H 63 7.816 8.040 -0.224 1
1 691 . 2 1 1 A 63 63 ARG HA H 63 3.544 3.585 -0.041 1
1 698 . 2 1 1 A 63 63 ARG C C 63 178.189 178.553 -0.364 1
1 699 . 2 1 1 A 63 63 ARG CA C 63 59.219 59.443 -0.224 1
1 700 . 2 1 1 A 63 63 ARG CB C 63 29.077 29.434 -0.357 1
1 703 . 2 1 1 A 63 63 ARG N N 63 124.207 119.949 4.258 1
1 704 . 2 1 1 A 64 64 ARG H H 64 8.578 8.174 0.404 1
1 705 . 2 1 1 A 64 64 ARG HA H 64 4.057 4.224 -0.167 1
1 712 . 2 1 1 A 64 64 ARG C C 64 179.039 178.866 0.173 1
1 713 . 2 1 1 A 64 64 ARG CA C 64 60.190 59.922 0.268 1
1 714 . 2 1 1 A 64 64 ARG CB C 64 30.579 30.056 0.523 1
1 717 . 2 1 1 A 64 64 ARG N N 64 117.839 117.823 0.016 1
1 718 . 2 1 1 A 65 65 ARG H H 65 7.712 7.373 0.339 1
1 719 . 2 1 1 A 65 65 ARG HA H 65 4.091 3.999 0.092 1
1 726 . 2 1 1 A 65 65 ARG C C 65 178.214 178.586 -0.372 1
1 727 . 2 1 1 A 65 65 ARG CA C 65 59.556 59.356 0.200 1
1 728 . 2 1 1 A 65 65 ARG CB C 65 30.167 29.824 0.343 1
1 731 . 2 1 1 A 65 65 ARG N N 65 118.827 119.764 -0.937 1
1 732 . 2 1 1 A 66 66 LYS H H 66 7.848 8.232 -0.384 1
1 733 . 2 1 1 A 66 66 LYS HA H 66 3.997 3.966 0.031 1
1 741 . 2 1 1 A 66 66 LYS C C 66 178.481 178.298 0.183 1
1 742 . 2 1 1 A 66 66 LYS CA C 66 59.110 58.576 0.534 1
1 743 . 2 1 1 A 66 66 LYS CB C 66 32.226 32.100 0.126 1
1 747 . 2 1 1 A 66 66 LYS N N 66 120.251 117.659 2.592 1
1 748 . 2 1 1 A 67 67 TYR H H 67 8.324 7.289 1.035 1
1 749 . 2 1 1 A 67 67 TYR HA H 67 4.274 4.364 -0.090 1
1 756 . 2 1 1 A 67 67 TYR C C 67 177.412 178.351 -0.939 1
1 757 . 2 1 1 A 67 67 TYR CA C 67 60.576 60.489 0.087 1
1 758 . 2 1 1 A 67 67 TYR CB C 67 37.043 38.978 -1.935 1
1 763 . 2 1 1 A 67 67 TYR N N 67 118.725 117.891 0.834 1
1 764 . 2 1 1 A 68 68 ARG H H 68 8.084 8.265 -0.181 1
1 765 . 2 1 1 A 68 68 ARG HA H 68 4.218 4.245 -0.027 1
1 772 . 2 1 1 A 68 68 ARG C C 68 179.209 178.328 0.881 1
1 773 . 2 1 1 A 68 68 ARG CA C 68 58.616 59.105 -0.489 1
1 774 . 2 1 1 A 68 68 ARG CB C 68 29.343 29.959 -0.616 1
1 777 . 2 1 1 A 68 68 ARG N N 68 119.763 120.127 -0.364 1
1 778 . 2 1 1 A 69 69 LEU H H 69 8.168 8.186 -0.018 1
1 779 . 2 1 1 A 69 69 LEU HA H 69 4.244 3.993 0.251 1
1 789 . 2 1 1 A 69 69 LEU C C 69 178.457 178.715 -0.258 1
1 790 . 2 1 1 A 69 69 LEU CA C 69 56.981 58.192 -1.211 1
1 791 . 2 1 1 A 69 69 LEU CB C 69 41.955 41.519 0.436 1
1 795 . 2 1 1 A 69 69 LEU N N 69 120.874 118.828 2.046 1
1 796 . 2 1 1 A 70 70 MET H H 70 7.942 8.031 -0.089 1
1 797 . 2 1 1 A 70 70 MET HA H 70 4.440 4.488 -0.048 1
1 805 . 2 1 1 A 70 70 MET C C 70 176.417 176.247 0.170 1
1 806 . 2 1 1 A 70 70 MET CA C 70 55.958 55.730 0.228 1
1 807 . 2 1 1 A 70 70 MET CB C 70 33.711 33.070 0.641 1
1 810 . 2 1 1 A 70 70 MET N N 70 117.335 118.491 -1.156 1
1 811 . 2 1 1 A 71 71 GLY H H 71 8.107 7.781 0.326 1
1 812 . 2 1 1 A 71 71 GLY HA2 H 71 3.906 4.081 -0.175 1
1 813 . 2 1 1 A 71 71 GLY HA3 H 71 4.055 4.083 -0.028 1
1 814 . 2 1 1 A 71 71 GLY C C 71 174.255 174.268 -0.013 1
1 815 . 2 1 1 A 71 71 GLY CA C 71 45.852 45.071 0.781 1
1 816 . 2 1 1 A 71 71 GLY N N 71 109.096 107.019 2.077 1
1 817 . 2 1 1 A 72 72 ILE H H 72 8.036 7.595 0.441 1
1 818 . 2 1 1 A 72 72 ILE HA H 72 4.197 4.161 0.036 1
1 828 . 2 1 1 A 72 72 ILE C C 72 175.712 175.121 0.591 1
1 829 . 2 1 1 A 72 72 ILE CA C 72 60.626 60.709 -0.083 1
1 830 . 2 1 1 A 72 72 ILE CB C 72 39.203 38.185 1.018 1
1 834 . 2 1 1 A 72 72 ILE N N 72 120.615 121.821 -1.206 1
1 835 . 2 1 1 A 73 73 GLU H H 73 8.523 8.627 -0.104 1
1 836 . 2 1 1 A 73 73 GLU HA H 73 4.306 4.317 -0.011 1
1 841 . 2 1 1 A 73 73 GLU C C 73 176.417 175.627 0.790 1
1 842 . 2 1 1 A 73 73 GLU CA C 73 56.551 56.662 -0.111 1
1 843 . 2 1 1 A 73 73 GLU CB C 73 30.167 29.689 0.478 1
1 845 . 2 1 1 A 73 73 GLU N N 73 125.837 128.365 -2.528 1
1 846 . 2 1 1 A 74 74 VAL H H 74 8.319 8.397 -0.078 1
1 847 . 2 1 1 A 74 74 VAL HA H 74 4.187 4.580 -0.393 1
1 855 . 2 1 1 A 74 74 VAL C C 74 176.052 173.616 2.436 1
1 856 . 2 1 1 A 74 74 VAL CA C 74 62.103 60.488 1.615 1
1 857 . 2 1 1 A 74 74 VAL CB C 74 33.063 35.007 -1.944 1
1 860 . 2 1 1 A 74 74 VAL N N 74 122.642 123.562 -0.920 1
1 861 . 2 1 1 A 75 75 SER H H 75 8.460 8.540 -0.080 1
1 862 . 2 1 1 A 75 75 SER HA H 75 4.469 4.366 0.103 1
1 865 . 2 1 1 A 75 75 SER C C 75 174.547 173.971 0.576 1
1 866 . 2 1 1 A 75 75 SER CA C 75 58.413 59.426 -1.013 1
1 867 . 2 1 1 A 75 75 SER CB C 75 64.015 63.163 0.852 1
1 868 . 2 1 1 A 75 75 SER N N 75 120.411 122.419 -2.008 1
1 869 . 2 1 1 A 76 76 GLY H H 76 8.307 8.382 -0.075 1
1 870 . 2 1 1 A 76 76 GLY HA2 H 76 4.096 4.283 -0.187 1
1 871 . 2 1 1 A 76 76 GLY C C 76 171.729 171.676 0.053 1
1 872 . 2 1 1 A 76 76 GLY CA C 76 44.566 45.496 -0.930 1
1 873 . 2 1 1 A 76 76 GLY N N 76 110.975 113.118 -2.143 1
1 874 . 2 1 1 A 77 77 PRO HA H 77 4.508 4.703 -0.195 1
1 880 . 2 1 1 A 77 77 PRO CA C 77 63.054 62.746 0.308 1
1 881 . 2 1 1 A 77 77 PRO CB C 77 32.299 31.537 0.762 1
1 884 . 2 1 1 A 79 79 SER HA H 79 4.507 5.192 -0.685 1
1 887 . 2 1 1 A 79 79 SER C C 79 173.939 173.618 0.321 1
1 888 . 2 1 1 A 79 79 SER CA C 79 58.427 56.657 1.770 1
1 889 . 2 1 1 A 79 79 SER CB C 79 64.293 66.626 -2.333 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.969 3.852 0.117 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.969 3.855 0.114 1
1 3 . 3 1 1 A 7 7 GLY C C 7 173.939 173.983 -0.044 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.342 46.709 -1.367 1
1 5 . 3 1 1 A 8 8 ALA H H 8 8.128 7.685 0.443 1
1 6 . 3 1 1 A 8 8 ALA HA H 8 4.329 4.878 -0.549 1
1 10 . 3 1 1 A 8 8 ALA C C 8 177.971 175.653 2.318 1
1 11 . 3 1 1 A 8 8 ALA CA C 8 52.565 51.308 1.257 1
1 12 . 3 1 1 A 8 8 ALA CB C 8 19.287 23.339 -4.052 1
1 13 . 3 1 1 A 8 8 ALA N N 8 123.703 123.141 0.562 1
1 14 . 3 1 1 A 9 9 LEU H H 9 8.240 8.553 -0.313 1
1 15 . 3 1 1 A 9 9 LEU HA H 9 4.304 5.051 -0.747 1
1 25 . 3 1 1 A 9 9 LEU C C 9 177.655 176.773 0.882 1
1 26 . 3 1 1 A 9 9 LEU CA C 9 55.570 52.541 3.029 1
1 27 . 3 1 1 A 9 9 LEU CB C 9 42.202 44.942 -2.740 1
1 31 . 3 1 1 A 9 9 LEU N N 9 121.161 116.402 4.759 1
1 32 . 3 1 1 A 10 10 GLN H H 10 8.305 9.016 -0.711 1
1 33 . 3 1 1 A 10 10 GLN HA H 10 4.313 4.308 0.005 1
1 40 . 3 1 1 A 10 10 GLN C C 10 175.737 174.728 1.009 1
1 41 . 3 1 1 A 10 10 GLN CA C 10 56.099 57.182 -1.083 1
1 42 . 3 1 1 A 10 10 GLN CB C 10 29.425 29.972 -0.547 1
1 44 . 3 1 1 A 10 10 GLN N N 10 120.538 118.765 1.773 1
1 46 . 3 1 1 A 11 11 ASP H H 11 8.306 7.987 0.319 1
1 47 . 3 1 1 A 11 11 ASP HA H 11 4.589 4.999 -0.410 1
1 50 . 3 1 1 A 11 11 ASP C C 11 176.319 175.693 0.626 1
1 51 . 3 1 1 A 11 11 ASP CA C 11 54.583 53.295 1.288 1
1 52 . 3 1 1 A 11 11 ASP CB C 11 41.204 43.368 -2.164 1
1 53 . 3 1 1 A 11 11 ASP N N 11 121.418 117.446 3.972 1
1 54 . 3 1 1 A 12 12 ARG H H 12 8.257 8.597 -0.340 1
1 55 . 3 1 1 A 12 12 ARG HA H 12 4.408 4.162 0.246 1
1 62 . 3 1 1 A 12 12 ARG C C 12 176.295 175.868 0.427 1
1 63 . 3 1 1 A 12 12 ARG CA C 12 56.088 57.051 -0.963 1
1 64 . 3 1 1 A 12 12 ARG CB C 12 30.579 30.404 0.175 1
1 67 . 3 1 1 A 12 12 ARG N N 12 121.271 124.436 -3.165 1
1 68 . 3 1 1 A 13 13 THR H H 13 8.189 8.708 -0.519 1
1 69 . 3 1 1 A 13 13 THR HA H 13 4.193 4.559 -0.366 1
1 74 . 3 1 1 A 13 13 THR C C 13 174.121 173.524 0.597 1
1 75 . 3 1 1 A 13 13 THR CA C 13 62.448 61.334 1.114 1
1 76 . 3 1 1 A 13 13 THR CB C 13 69.697 69.925 -0.228 1
1 78 . 3 1 1 A 13 13 THR N N 13 114.810 118.576 -3.766 1
1 79 . 3 1 1 A 14 14 GLN H H 14 8.130 8.395 -0.265 1
1 80 . 3 1 1 A 14 14 GLN HA H 14 4.314 4.526 -0.212 1
1 87 . 3 1 1 A 14 14 GLN C C 14 175.275 175.168 0.107 1
1 88 . 3 1 1 A 14 14 GLN CA C 14 55.253 55.570 -0.317 1
1 89 . 3 1 1 A 14 14 GLN CB C 14 29.838 28.921 0.917 1
1 91 . 3 1 1 A 14 14 GLN N N 14 122.533 125.728 -3.195 1
1 93 . 3 1 1 A 15 15 PHE H H 15 8.151 8.998 -0.847 1
1 94 . 3 1 1 A 15 15 PHE HA H 15 5.009 4.922 0.087 1
1 102 . 3 1 1 A 15 15 PHE C C 15 176.465 175.708 0.757 1
1 103 . 3 1 1 A 15 15 PHE CA C 15 57.157 57.137 0.020 1
1 104 . 3 1 1 A 15 15 PHE CB C 15 40.996 41.450 -0.454 1
1 110 . 3 1 1 A 15 15 PHE N N 15 120.835 122.327 -1.492 1
1 111 . 3 1 1 A 16 16 SER H H 16 9.565 8.946 0.619 1
1 112 . 3 1 1 A 16 16 SER HA H 16 4.610 4.786 -0.176 1
1 115 . 3 1 1 A 16 16 SER C C 16 174.547 175.284 -0.737 1
1 116 . 3 1 1 A 16 16 SER CA C 16 56.946 57.404 -0.458 1
1 117 . 3 1 1 A 16 16 SER CB C 16 65.545 65.281 0.264 1
1 118 . 3 1 1 A 16 16 SER N N 16 119.442 117.978 1.464 1
1 119 . 3 1 1 A 17 17 ASP H H 17 8.947 9.176 -0.229 1
1 120 . 3 1 1 A 17 17 ASP HA H 17 4.386 4.218 0.168 1
1 123 . 3 1 1 A 17 17 ASP C C 17 179.331 177.966 1.365 1
1 124 . 3 1 1 A 17 17 ASP CA C 17 58.074 57.958 0.116 1
1 125 . 3 1 1 A 17 17 ASP CB C 17 39.875 40.827 -0.952 1
1 126 . 3 1 1 A 17 17 ASP N N 17 120.645 125.764 -5.119 1
1 127 . 3 1 1 A 18 18 ARG H H 18 8.302 8.178 0.124 1
1 128 . 3 1 1 A 18 18 ARG HA H 18 4.098 4.001 0.097 1
1 135 . 3 1 1 A 18 18 ARG C C 18 178.699 178.726 -0.027 1
1 136 . 3 1 1 A 18 18 ARG CA C 18 59.203 59.075 0.128 1
1 137 . 3 1 1 A 18 18 ARG CB C 18 29.920 30.097 -0.177 1
1 140 . 3 1 1 A 18 18 ARG N N 18 121.398 118.629 2.769 1
1 141 . 3 1 1 A 19 19 ASP H H 19 7.853 7.868 -0.015 1
1 142 . 3 1 1 A 19 19 ASP HA H 19 4.151 4.255 -0.104 1
1 145 . 3 1 1 A 19 19 ASP C C 19 178.384 178.578 -0.194 1
1 146 . 3 1 1 A 19 19 ASP CA C 19 57.348 57.110 0.238 1
1 147 . 3 1 1 A 19 19 ASP CB C 19 40.392 40.897 -0.505 1
1 148 . 3 1 1 A 19 19 ASP N N 19 122.636 120.125 2.511 1
1 149 . 3 1 1 A 20 20 LEU H H 20 8.335 8.240 0.095 1
1 150 . 3 1 1 A 20 20 LEU HA H 20 3.635 3.540 0.095 1
1 160 . 3 1 1 A 20 20 LEU C C 20 179.234 178.935 0.299 1
1 161 . 3 1 1 A 20 20 LEU CA C 20 57.587 57.884 -0.297 1
1 162 . 3 1 1 A 20 20 LEU CB C 20 41.658 41.504 0.154 1
1 166 . 3 1 1 A 20 20 LEU N N 20 118.845 119.522 -0.677 1
1 167 . 3 1 1 A 21 21 ALA H H 21 7.905 8.293 -0.388 1
1 168 . 3 1 1 A 21 21 ALA HA H 21 4.123 4.062 0.061 1
1 172 . 3 1 1 A 21 21 ALA C C 21 181.031 179.813 1.218 1
1 173 . 3 1 1 A 21 21 ALA CA C 21 55.103 55.426 -0.323 1
1 174 . 3 1 1 A 21 21 ALA CB C 21 17.709 18.377 -0.668 1
1 175 . 3 1 1 A 21 21 ALA N N 21 122.007 120.970 1.037 1
1 176 . 3 1 1 A 22 22 THR H H 22 7.886 8.182 -0.296 1
1 177 . 3 1 1 A 22 22 THR HA H 22 3.954 3.877 0.077 1
1 182 . 3 1 1 A 22 22 THR C C 22 175.834 176.248 -0.414 1
1 183 . 3 1 1 A 22 22 THR CA C 22 67.081 67.311 -0.230 1
1 184 . 3 1 1 A 22 22 THR CB C 22 68.253 68.642 -0.389 1
1 186 . 3 1 1 A 22 22 THR N N 22 119.042 114.219 4.823 1
1 187 . 3 1 1 A 23 23 LEU H H 23 8.036 7.710 0.326 1
1 188 . 3 1 1 A 23 23 LEU HA H 23 3.404 3.791 -0.387 1
1 198 . 3 1 1 A 23 23 LEU C C 23 178.335 179.238 -0.903 1
1 199 . 3 1 1 A 23 23 LEU CA C 23 59.230 58.164 1.066 1
1 200 . 3 1 1 A 23 23 LEU CB C 23 39.399 41.217 -1.818 1
1 204 . 3 1 1 A 23 23 LEU N N 23 123.450 119.926 3.524 1
1 205 . 3 1 1 A 24 24 LYS H H 24 8.166 8.469 -0.303 1
1 206 . 3 1 1 A 24 24 LYS HA H 24 4.074 4.078 -0.004 1
1 215 . 3 1 1 A 24 24 LYS C C 24 177.631 178.958 -1.327 1
1 216 . 3 1 1 A 24 24 LYS CA C 24 60.367 60.509 -0.142 1
1 217 . 3 1 1 A 24 24 LYS CB C 24 32.554 32.369 0.185 1
1 221 . 3 1 1 A 24 24 LYS N N 24 117.974 117.211 0.763 1
1 222 . 3 1 1 A 25 25 LYS H H 25 7.837 7.948 -0.111 1
1 223 . 3 1 1 A 25 25 LYS HA H 25 4.205 3.998 0.207 1
1 232 . 3 1 1 A 25 25 LYS C C 25 179.695 178.522 1.173 1
1 233 . 3 1 1 A 25 25 LYS CA C 25 59.704 59.324 0.380 1
1 234 . 3 1 1 A 25 25 LYS CB C 25 31.816 32.166 -0.350 1
1 238 . 3 1 1 A 25 25 LYS N N 25 120.567 120.507 0.060 1
1 239 . 3 1 1 A 26 26 TYR H H 26 8.158 7.865 0.293 1
1 240 . 3 1 1 A 26 26 TYR HA H 26 4.089 4.220 -0.131 1
1 247 . 3 1 1 A 26 26 TYR C C 26 180.035 178.720 1.315 1
1 248 . 3 1 1 A 26 26 TYR CA C 26 63.104 60.489 2.615 1
1 249 . 3 1 1 A 26 26 TYR CB C 26 36.926 38.197 -1.271 1
1 254 . 3 1 1 A 26 26 TYR N N 26 118.591 118.182 0.409 1
1 255 . 3 1 1 A 27 27 TRP H H 27 9.294 8.324 0.970 1
1 256 . 3 1 1 A 27 27 TRP HA H 27 4.349 4.383 -0.034 1
1 265 . 3 1 1 A 27 27 TRP C C 27 179.209 178.642 0.567 1
1 266 . 3 1 1 A 27 27 TRP CA C 27 61.357 60.627 0.730 1
1 267 . 3 1 1 A 27 27 TRP CB C 27 28.481 29.850 -1.369 1
1 273 . 3 1 1 A 27 27 TRP N N 27 125.036 122.222 2.814 1
1 275 . 3 1 1 A 28 28 ASP H H 28 9.354 8.189 1.165 1
1 276 . 3 1 1 A 28 28 ASP HA H 28 4.479 4.685 -0.206 1
1 279 . 3 1 1 A 28 28 ASP C C 28 176.999 177.038 -0.039 1
1 280 . 3 1 1 A 28 28 ASP CA C 28 57.024 56.341 0.683 1
1 281 . 3 1 1 A 28 28 ASP CB C 28 39.894 40.561 -0.667 1
1 282 . 3 1 1 A 28 28 ASP N N 28 121.650 119.132 2.518 1
1 283 . 3 1 1 A 29 29 ASN H H 29 7.569 8.160 -0.591 1
1 284 . 3 1 1 A 29 29 ASN HA H 29 4.905 4.955 -0.050 1
1 289 . 3 1 1 A 29 29 ASN C C 29 174.935 175.640 -0.705 1
1 290 . 3 1 1 A 29 29 ASN CA C 29 52.819 52.499 0.320 1
1 291 . 3 1 1 A 29 29 ASN CB C 29 39.320 39.246 0.074 1
1 292 . 3 1 1 A 29 29 ASN N N 29 116.912 115.745 1.167 1
1 294 . 3 1 1 A 30 30 GLY H H 30 7.695 7.741 -0.046 1
1 295 . 3 1 1 A 30 30 GLY HA2 H 30 3.603 3.747 -0.144 1
1 296 . 3 1 1 A 30 30 GLY HA3 H 30 4.489 3.870 0.619 1
1 297 . 3 1 1 A 30 30 GLY C C 30 174.571 174.481 0.090 1
1 298 . 3 1 1 A 30 30 GLY CA C 30 45.332 46.078 -0.746 1
1 299 . 3 1 1 A 30 30 GLY N N 30 105.356 107.837 -2.481 1
1 300 . 3 1 1 A 31 31 MET H H 31 8.574 7.826 0.748 1
1 301 . 3 1 1 A 31 31 MET HA H 31 4.769 4.440 0.329 1
1 309 . 3 1 1 A 31 31 MET C C 31 173.381 175.842 -2.461 1
1 310 . 3 1 1 A 31 31 MET CA C 31 54.301 54.633 -0.332 1
1 311 . 3 1 1 A 31 31 MET CB C 31 31.899 32.414 -0.515 1
1 314 . 3 1 1 A 31 31 MET N N 31 125.209 120.873 4.336 1
1 315 . 3 1 1 A 32 32 THR H H 32 7.284 7.246 0.038 1
1 316 . 3 1 1 A 32 32 THR HA H 32 4.003 4.070 -0.067 1
1 321 . 3 1 1 A 32 32 THR C C 32 173.721 172.767 0.954 1
1 322 . 3 1 1 A 32 32 THR CA C 32 59.873 60.222 -0.349 1
1 323 . 3 1 1 A 32 32 THR CB C 32 69.651 67.483 2.168 1
1 325 . 3 1 1 A 32 32 THR N N 32 108.409 116.280 -7.871 1
1 326 . 3 1 1 A 33 33 SER H H 33 7.809 7.640 0.169 1
1 327 . 3 1 1 A 33 33 SER HA H 33 4.614 4.805 -0.191 1
1 330 . 3 1 1 A 33 33 SER C C 33 171.608 173.069 -1.461 1
1 331 . 3 1 1 A 33 33 SER CA C 33 56.764 56.993 -0.229 1
1 332 . 3 1 1 A 33 33 SER CB C 33 65.653 64.677 0.976 1
1 333 . 3 1 1 A 33 33 SER N N 33 115.742 120.010 -4.268 1
1 334 . 3 1 1 A 34 34 LEU H H 34 8.284 8.514 -0.230 1
1 335 . 3 1 1 A 34 34 LEU HA H 34 4.488 4.333 0.155 1
1 345 . 3 1 1 A 34 34 LEU C C 34 178.335 177.872 0.463 1
1 346 . 3 1 1 A 34 34 LEU CA C 34 54.583 56.697 -2.114 1
1 347 . 3 1 1 A 34 34 LEU CB C 34 41.872 42.331 -0.459 1
1 351 . 3 1 1 A 34 34 LEU N N 34 116.566 124.441 -7.875 1
1 352 . 3 1 1 A 35 35 GLY H H 35 8.159 8.073 0.086 1
1 353 . 3 1 1 A 35 35 GLY HA2 H 35 4.239 3.837 0.402 1
1 354 . 3 1 1 A 35 35 GLY HA3 H 35 3.949 3.844 0.105 1
1 355 . 3 1 1 A 35 35 GLY C C 35 175.299 175.361 -0.062 1
1 356 . 3 1 1 A 35 35 GLY CA C 35 44.707 45.671 -0.964 1
1 357 . 3 1 1 A 35 35 GLY N N 35 106.688 107.151 -0.463 1
1 358 . 3 1 1 A 36 36 SER HA H 36 4.123 4.036 0.087 1
1 360 . 3 1 1 A 36 36 SER CA C 36 61.785 62.435 -0.650 1
1 361 . 3 1 1 A 36 36 SER CB C 36 62.793 62.706 0.087 1
1 362 . 3 1 1 A 37 37 VAL HA H 37 4.155 3.867 0.288 1
1 370 . 3 1 1 A 37 37 VAL C C 37 177.048 177.672 -0.624 1
1 371 . 3 1 1 A 37 37 VAL CA C 37 64.423 65.387 -0.964 1
1 372 . 3 1 1 A 37 37 VAL CB C 37 31.486 31.473 0.013 1
1 375 . 3 1 1 A 38 38 CYS H H 38 7.746 8.324 -0.578 1
1 376 . 3 1 1 A 38 38 CYS HA H 38 4.787 4.406 0.381 1
1 379 . 3 1 1 A 38 38 CYS C C 38 174.522 176.775 -2.253 1
1 380 . 3 1 1 A 38 38 CYS CA C 38 59.344 59.886 -0.542 1
1 381 . 3 1 1 A 38 38 CYS CB C 38 29.261 28.545 0.716 1
1 382 . 3 1 1 A 38 38 CYS N N 38 116.501 120.488 -3.987 1
1 383 . 3 1 1 A 39 39 ARG H H 39 7.633 7.866 -0.233 1
1 384 . 3 1 1 A 39 39 ARG HA H 39 3.847 3.970 -0.123 1
1 390 . 3 1 1 A 39 39 ARG C C 39 177.315 179.046 -1.731 1
1 391 . 3 1 1 A 39 39 ARG CA C 39 60.952 59.468 1.484 1
1 392 . 3 1 1 A 39 39 ARG CB C 39 30.332 29.847 0.485 1
1 395 . 3 1 1 A 39 39 ARG N N 39 122.520 122.889 -0.369 1
1 396 . 3 1 1 A 40 40 GLU H H 40 8.827 8.280 0.547 1
1 397 . 3 1 1 A 40 40 GLU HA H 40 4.070 4.004 0.066 1
1 402 . 3 1 1 A 40 40 GLU C C 40 179.719 179.459 0.260 1
1 403 . 3 1 1 A 40 40 GLU CA C 40 60.065 59.201 0.864 1
1 404 . 3 1 1 A 40 40 GLU CB C 40 29.094 29.356 -0.262 1
1 406 . 3 1 1 A 40 40 GLU N N 40 116.909 117.589 -0.680 1
1 407 . 3 1 1 A 41 41 LYS H H 41 7.660 7.499 0.161 1
1 408 . 3 1 1 A 41 41 LYS HA H 41 4.293 4.087 0.206 1
1 416 . 3 1 1 A 41 41 LYS C C 41 176.854 179.471 -2.617 1
1 417 . 3 1 1 A 41 41 LYS CA C 41 59.908 59.389 0.519 1
1 418 . 3 1 1 A 41 41 LYS CB C 41 33.704 32.440 1.264 1
1 422 . 3 1 1 A 41 41 LYS N N 41 120.497 118.452 2.045 1
1 423 . 3 1 1 A 42 42 ILE H H 42 8.050 8.153 -0.103 1
1 424 . 3 1 1 A 42 42 ILE HA H 42 3.756 3.538 0.218 1
1 434 . 3 1 1 A 42 42 ILE C C 42 177.607 177.990 -0.383 1
1 435 . 3 1 1 A 42 42 ILE CA C 42 65.460 65.333 0.127 1
1 436 . 3 1 1 A 42 42 ILE CB C 42 38.516 37.518 0.998 1
1 440 . 3 1 1 A 42 42 ILE N N 42 119.276 120.759 -1.483 1
1 441 . 3 1 1 A 43 43 GLU H H 43 8.142 8.343 -0.201 1
1 442 . 3 1 1 A 43 43 GLU HA H 43 4.011 4.003 0.008 1
1 447 . 3 1 1 A 43 43 GLU C C 43 179.477 178.348 1.129 1
1 448 . 3 1 1 A 43 43 GLU CA C 43 59.340 59.141 0.199 1
1 449 . 3 1 1 A 43 43 GLU CB C 43 29.425 29.410 0.015 1
1 451 . 3 1 1 A 43 43 GLU N N 43 116.432 120.576 -4.144 1
1 452 . 3 1 1 A 44 44 ALA H H 44 8.053 7.764 0.289 1
1 453 . 3 1 1 A 44 44 ALA HA H 44 4.217 4.311 -0.094 1
1 457 . 3 1 1 A 44 44 ALA C C 44 180.958 178.798 2.160 1
1 458 . 3 1 1 A 44 44 ALA CA C 44 55.453 54.370 1.083 1
1 459 . 3 1 1 A 44 44 ALA CB C 44 18.553 19.678 -1.125 1
1 460 . 3 1 1 A 44 44 ALA N N 44 122.819 122.619 0.200 1
1 461 . 3 1 1 A 45 45 VAL H H 45 8.400 7.289 1.111 1
1 462 . 3 1 1 A 45 45 VAL HA H 45 3.530 3.465 0.065 1
1 470 . 3 1 1 A 45 45 VAL C C 45 176.465 177.001 -0.536 1
1 471 . 3 1 1 A 45 45 VAL CA C 45 65.075 64.547 0.528 1
1 472 . 3 1 1 A 45 45 VAL CB C 45 29.673 30.605 -0.932 1
1 475 . 3 1 1 A 45 45 VAL N N 45 120.862 116.834 4.028 1
1 476 . 3 1 1 A 46 46 ALA H H 46 8.225 7.867 0.358 1
1 477 . 3 1 1 A 46 46 ALA HA H 46 3.787 4.051 -0.264 1
1 481 . 3 1 1 A 46 46 ALA C C 46 180.205 179.640 0.565 1
1 482 . 3 1 1 A 46 46 ALA CA C 46 55.753 55.172 0.581 1
1 483 . 3 1 1 A 46 46 ALA CB C 46 18.516 18.539 -0.023 1
1 484 . 3 1 1 A 46 46 ALA N N 46 125.827 123.801 2.026 1
1 485 . 3 1 1 A 47 47 THR H H 47 7.850 7.736 0.114 1
1 486 . 3 1 1 A 47 47 THR HA H 47 4.084 3.974 0.110 1
1 491 . 3 1 1 A 47 47 THR C C 47 177.339 176.482 0.857 1
1 492 . 3 1 1 A 47 47 THR CA C 47 66.492 64.669 1.823 1
1 493 . 3 1 1 A 47 47 THR CB C 47 68.772 68.888 -0.116 1
1 495 . 3 1 1 A 47 47 THR N N 47 113.467 112.201 1.266 1
1 496 . 3 1 1 A 48 48 GLU H H 48 8.050 8.152 -0.102 1
1 497 . 3 1 1 A 48 48 GLU HA H 48 4.001 4.089 -0.088 1
1 502 . 3 1 1 A 48 48 GLU C C 48 178.457 178.257 0.200 1
1 503 . 3 1 1 A 48 48 GLU CA C 48 60.174 58.634 1.540 1
1 504 . 3 1 1 A 48 48 GLU CB C 48 29.719 29.708 0.011 1
1 506 . 3 1 1 A 48 48 GLU N N 48 123.295 120.842 2.453 1
1 507 . 3 1 1 A 49 49 LEU H H 49 8.198 7.512 0.686 1
1 508 . 3 1 1 A 49 49 LEU HA H 49 4.215 4.273 -0.058 1
1 518 . 3 1 1 A 49 49 LEU C C 49 176.344 175.889 0.455 1
1 519 . 3 1 1 A 49 49 LEU CA C 49 55.050 54.840 0.210 1
1 520 . 3 1 1 A 49 49 LEU CB C 49 42.861 42.097 0.764 1
1 524 . 3 1 1 A 49 49 LEU N N 49 115.963 118.065 -2.102 1
1 525 . 3 1 1 A 50 50 ASN H H 50 8.008 7.739 0.269 1
1 526 . 3 1 1 A 50 50 ASN HA H 50 4.411 4.269 0.142 1
1 531 . 3 1 1 A 50 50 ASN C C 50 174.522 173.711 0.811 1
1 532 . 3 1 1 A 50 50 ASN CA C 50 54.159 54.545 -0.386 1
1 533 . 3 1 1 A 50 50 ASN CB C 50 37.446 36.727 0.719 1
1 534 . 3 1 1 A 50 50 ASN N N 50 118.398 115.695 2.703 1
1 536 . 3 1 1 A 51 51 VAL H H 51 8.240 7.526 0.714 1
1 537 . 3 1 1 A 51 51 VAL HA H 51 4.792 4.836 -0.044 1
1 545 . 3 1 1 A 51 51 VAL C C 51 174.619 174.887 -0.268 1
1 546 . 3 1 1 A 51 51 VAL CA C 51 58.674 58.723 -0.049 1
1 547 . 3 1 1 A 51 51 VAL CB C 51 36.102 35.424 0.678 1
1 550 . 3 1 1 A 51 51 VAL N N 51 110.142 111.385 -1.243 1
1 551 . 3 1 1 A 52 52 ASP H H 52 8.164 8.683 -0.519 1
1 552 . 3 1 1 A 52 52 ASP HA H 52 4.597 4.582 0.015 1
1 555 . 3 1 1 A 52 52 ASP C C 52 178.262 178.452 -0.190 1
1 556 . 3 1 1 A 52 52 ASP CA C 52 54.423 54.908 -0.485 1
1 557 . 3 1 1 A 52 52 ASP CB C 52 43.200 40.905 2.295 1
1 558 . 3 1 1 A 52 52 ASP N N 52 120.019 123.239 -3.220 1
1 559 . 3 1 1 A 53 53 CYS H H 53 8.967 9.035 -0.068 1
1 560 . 3 1 1 A 53 53 CYS HA H 53 3.862 4.090 -0.228 1
1 563 . 3 1 1 A 53 53 CYS C C 53 176.975 177.001 -0.026 1
1 564 . 3 1 1 A 53 53 CYS CA C 53 63.438 62.577 0.861 1
1 565 . 3 1 1 A 53 53 CYS CB C 53 27.358 27.383 -0.025 1
1 566 . 3 1 1 A 53 53 CYS N N 53 122.121 123.803 -1.682 1
1 567 . 3 1 1 A 54 54 GLU H H 54 9.357 8.295 1.062 1
1 568 . 3 1 1 A 54 54 GLU HA H 54 4.083 4.089 -0.006 1
1 573 . 3 1 1 A 54 54 GLU C C 54 179.064 179.290 -0.226 1
1 574 . 3 1 1 A 54 54 GLU CA C 54 59.626 59.393 0.233 1
1 575 . 3 1 1 A 54 54 GLU CB C 54 29.178 29.381 -0.203 1
1 577 . 3 1 1 A 54 54 GLU N N 54 120.121 120.512 -0.391 1
1 578 . 3 1 1 A 55 55 ILE H H 55 7.650 8.292 -0.642 1
1 579 . 3 1 1 A 55 55 ILE HA H 55 4.005 3.759 0.246 1
1 589 . 3 1 1 A 55 55 ILE C C 55 179.331 178.923 0.408 1
1 590 . 3 1 1 A 55 55 ILE CA C 55 63.558 65.341 -1.783 1
1 591 . 3 1 1 A 55 55 ILE CB C 55 36.988 37.995 -1.007 1
1 595 . 3 1 1 A 55 55 ILE N N 55 119.061 120.373 -1.312 1
1 596 . 3 1 1 A 56 56 VAL H H 56 6.973 8.029 -1.056 1
1 597 . 3 1 1 A 56 56 VAL HA H 56 3.651 3.682 -0.031 1
1 605 . 3 1 1 A 56 56 VAL C C 56 177.874 178.176 -0.302 1
1 606 . 3 1 1 A 56 56 VAL CA C 56 66.847 66.651 0.196 1
1 607 . 3 1 1 A 56 56 VAL CB C 56 31.486 31.753 -0.267 1
1 610 . 3 1 1 A 56 56 VAL N N 56 121.206 120.541 0.665 1
1 611 . 3 1 1 A 57 57 ARG H H 57 8.508 8.261 0.247 1
1 612 . 3 1 1 A 57 57 ARG HA H 57 3.928 4.103 -0.175 1
1 618 . 3 1 1 A 57 57 ARG C C 57 179.282 179.122 0.160 1
1 619 . 3 1 1 A 57 57 ARG CA C 57 61.095 59.945 1.150 1
1 620 . 3 1 1 A 57 57 ARG CB C 57 30.261 30.099 0.162 1
1 623 . 3 1 1 A 57 57 ARG N N 57 118.801 119.099 -0.298 1
1 624 . 3 1 1 A 58 58 THR H H 58 8.528 8.182 0.346 1
1 625 . 3 1 1 A 58 58 THR HA H 58 4.013 4.018 -0.005 1
1 630 . 3 1 1 A 58 58 THR C C 58 175.518 176.142 -0.624 1
1 631 . 3 1 1 A 58 58 THR CA C 58 66.879 66.401 0.478 1
1 632 . 3 1 1 A 58 58 THR CB C 58 68.826 68.222 0.604 1
1 634 . 3 1 1 A 58 58 THR N N 58 117.805 117.989 -0.184 1
1 635 . 3 1 1 A 59 59 TRP H H 59 7.904 7.967 -0.063 1
1 636 . 3 1 1 A 59 59 TRP HA H 59 4.228 4.374 -0.146 1
1 645 . 3 1 1 A 59 59 TRP C C 59 179.015 178.388 0.627 1
1 646 . 3 1 1 A 59 59 TRP CA C 59 63.377 61.483 1.894 1
1 647 . 3 1 1 A 59 59 TRP CB C 59 28.280 29.682 -1.402 1
1 653 . 3 1 1 A 59 59 TRP N N 59 124.326 123.918 0.408 1
1 655 . 3 1 1 A 60 60 ILE H H 60 8.799 8.230 0.569 1
1 656 . 3 1 1 A 60 60 ILE HA H 60 3.461 3.615 -0.154 1
1 666 . 3 1 1 A 60 60 ILE C C 60 178.481 177.937 0.544 1
1 667 . 3 1 1 A 60 60 ILE CA C 60 65.878 65.123 0.755 1
1 668 . 3 1 1 A 60 60 ILE CB C 60 39.399 38.076 1.323 1
1 672 . 3 1 1 A 60 60 ILE N N 60 119.831 119.728 0.103 1
1 673 . 3 1 1 A 61 61 GLY H H 61 8.659 7.948 0.711 1
1 674 . 3 1 1 A 61 61 GLY HA2 H 61 3.705 3.790 -0.085 1
1 675 . 3 1 1 A 61 61 GLY HA3 H 61 4.118 3.800 0.318 1
1 676 . 3 1 1 A 61 61 GLY C C 61 176.878 175.971 0.907 1
1 677 . 3 1 1 A 61 61 GLY CA C 61 47.388 47.357 0.031 1
1 678 . 3 1 1 A 61 61 GLY N N 61 106.205 108.108 -1.903 1
1 679 . 3 1 1 A 62 62 ASN H H 62 8.408 7.828 0.580 1
1 680 . 3 1 1 A 62 62 ASN HA H 62 4.452 4.370 0.082 1
1 685 . 3 1 1 A 62 62 ASN C C 62 177.461 178.259 -0.798 1
1 686 . 3 1 1 A 62 62 ASN CA C 62 55.480 55.858 -0.378 1
1 687 . 3 1 1 A 62 62 ASN CB C 62 37.951 37.865 0.086 1
1 688 . 3 1 1 A 62 62 ASN N N 62 120.644 119.768 0.876 1
1 690 . 3 1 1 A 63 63 ARG H H 63 7.816 7.732 0.084 1
1 691 . 3 1 1 A 63 63 ARG HA H 63 3.544 3.851 -0.307 1
1 698 . 3 1 1 A 63 63 ARG C C 63 178.189 179.184 -0.995 1
1 699 . 3 1 1 A 63 63 ARG CA C 63 59.219 59.670 -0.451 1
1 700 . 3 1 1 A 63 63 ARG CB C 63 29.077 29.763 -0.686 1
1 703 . 3 1 1 A 63 63 ARG N N 63 124.207 119.582 4.625 1
1 704 . 3 1 1 A 64 64 ARG H H 64 8.578 8.442 0.136 1
1 705 . 3 1 1 A 64 64 ARG HA H 64 4.057 4.184 -0.127 1
1 712 . 3 1 1 A 64 64 ARG C C 64 179.039 178.748 0.291 1
1 713 . 3 1 1 A 64 64 ARG CA C 64 60.190 59.973 0.217 1
1 714 . 3 1 1 A 64 64 ARG CB C 64 30.579 30.033 0.546 1
1 717 . 3 1 1 A 64 64 ARG N N 64 117.839 119.715 -1.876 1
1 718 . 3 1 1 A 65 65 ARG H H 65 7.712 7.446 0.266 1
1 719 . 3 1 1 A 65 65 ARG HA H 65 4.091 4.106 -0.015 1
1 726 . 3 1 1 A 65 65 ARG C C 65 178.214 178.291 -0.077 1
1 727 . 3 1 1 A 65 65 ARG CA C 65 59.556 59.269 0.287 1
1 728 . 3 1 1 A 65 65 ARG CB C 65 30.167 29.878 0.289 1
1 731 . 3 1 1 A 65 65 ARG N N 65 118.827 119.581 -0.754 1
1 732 . 3 1 1 A 66 66 LYS H H 66 7.848 7.662 0.186 1
1 733 . 3 1 1 A 66 66 LYS HA H 66 3.997 3.924 0.073 1
1 741 . 3 1 1 A 66 66 LYS C C 66 178.481 178.960 -0.479 1
1 742 . 3 1 1 A 66 66 LYS CA C 66 59.110 59.442 -0.332 1
1 743 . 3 1 1 A 66 66 LYS CB C 66 32.226 32.206 0.020 1
1 747 . 3 1 1 A 66 66 LYS N N 66 120.251 117.737 2.514 1
1 748 . 3 1 1 A 67 67 TYR H H 67 8.324 7.906 0.418 1
1 749 . 3 1 1 A 67 67 TYR HA H 67 4.274 4.310 -0.036 1
1 756 . 3 1 1 A 67 67 TYR C C 67 177.412 178.204 -0.792 1
1 757 . 3 1 1 A 67 67 TYR CA C 67 60.576 61.319 -0.743 1
1 758 . 3 1 1 A 67 67 TYR CB C 67 37.043 38.308 -1.265 1
1 763 . 3 1 1 A 67 67 TYR N N 67 118.725 119.362 -0.637 1
1 764 . 3 1 1 A 68 68 ARG H H 68 8.084 7.934 0.150 1
1 765 . 3 1 1 A 68 68 ARG HA H 68 4.218 4.111 0.107 1
1 772 . 3 1 1 A 68 68 ARG C C 68 179.209 178.513 0.696 1
1 773 . 3 1 1 A 68 68 ARG CA C 68 58.616 59.230 -0.614 1
1 774 . 3 1 1 A 68 68 ARG CB C 68 29.343 29.981 -0.638 1
1 777 . 3 1 1 A 68 68 ARG N N 68 119.763 120.131 -0.368 1
1 778 . 3 1 1 A 69 69 LEU H H 69 8.168 8.459 -0.291 1
1 779 . 3 1 1 A 69 69 LEU HA H 69 4.244 4.028 0.216 1
1 789 . 3 1 1 A 69 69 LEU C C 69 178.457 179.193 -0.736 1
1 790 . 3 1 1 A 69 69 LEU CA C 69 56.981 57.964 -0.983 1
1 791 . 3 1 1 A 69 69 LEU CB C 69 41.955 41.502 0.453 1
1 795 . 3 1 1 A 69 69 LEU N N 69 120.874 119.484 1.390 1
1 796 . 3 1 1 A 70 70 MET H H 70 7.942 7.760 0.182 1
1 797 . 3 1 1 A 70 70 MET HA H 70 4.440 4.430 0.010 1
1 805 . 3 1 1 A 70 70 MET C C 70 176.417 176.573 -0.156 1
1 806 . 3 1 1 A 70 70 MET CA C 70 55.958 55.879 0.079 1
1 807 . 3 1 1 A 70 70 MET CB C 70 33.711 32.657 1.054 1
1 810 . 3 1 1 A 70 70 MET N N 70 117.335 115.029 2.306 1
1 811 . 3 1 1 A 71 71 GLY H H 71 8.107 8.314 -0.207 1
1 812 . 3 1 1 A 71 71 GLY HA2 H 71 3.906 4.043 -0.137 1
1 813 . 3 1 1 A 71 71 GLY HA3 H 71 4.055 4.048 0.007 1
1 814 . 3 1 1 A 71 71 GLY C C 71 174.255 174.281 -0.026 1
1 815 . 3 1 1 A 71 71 GLY CA C 71 45.852 45.351 0.501 1
1 816 . 3 1 1 A 71 71 GLY N N 71 109.096 105.997 3.099 1
1 817 . 3 1 1 A 72 72 ILE H H 72 8.036 7.676 0.360 1
1 818 . 3 1 1 A 72 72 ILE HA H 72 4.197 4.295 -0.098 1
1 828 . 3 1 1 A 72 72 ILE C C 72 175.712 176.607 -0.895 1
1 829 . 3 1 1 A 72 72 ILE CA C 72 60.626 60.446 0.180 1
1 830 . 3 1 1 A 72 72 ILE CB C 72 39.203 38.539 0.664 1
1 834 . 3 1 1 A 72 72 ILE N N 72 120.615 121.596 -0.981 1
1 835 . 3 1 1 A 73 73 GLU H H 73 8.523 8.713 -0.190 1
1 836 . 3 1 1 A 73 73 GLU HA H 73 4.306 4.503 -0.197 1
1 841 . 3 1 1 A 73 73 GLU C C 73 176.417 177.769 -1.352 1
1 842 . 3 1 1 A 73 73 GLU CA C 73 56.551 56.283 0.268 1
1 843 . 3 1 1 A 73 73 GLU CB C 73 30.167 29.190 0.977 1
1 845 . 3 1 1 A 73 73 GLU N N 73 125.837 123.704 2.133 1
1 846 . 3 1 1 A 74 74 VAL H H 74 8.319 7.696 0.623 1
1 847 . 3 1 1 A 74 74 VAL HA H 74 4.187 3.823 0.364 1
1 855 . 3 1 1 A 74 74 VAL C C 74 176.052 176.286 -0.234 1
1 856 . 3 1 1 A 74 74 VAL CA C 74 62.103 64.758 -2.655 1
1 857 . 3 1 1 A 74 74 VAL CB C 74 33.063 31.777 1.286 1
1 860 . 3 1 1 A 74 74 VAL N N 74 122.642 120.943 1.699 1
1 861 . 3 1 1 A 75 75 SER H H 75 8.460 7.801 0.659 1
1 862 . 3 1 1 A 75 75 SER HA H 75 4.469 4.561 -0.092 1
1 865 . 3 1 1 A 75 75 SER C C 75 174.547 173.619 0.928 1
1 866 . 3 1 1 A 75 75 SER CA C 75 58.413 57.445 0.968 1
1 867 . 3 1 1 A 75 75 SER CB C 75 64.015 64.412 -0.397 1
1 868 . 3 1 1 A 75 75 SER N N 75 120.411 116.500 3.911 1
1 869 . 3 1 1 A 76 76 GLY H H 76 8.307 8.380 -0.073 1
1 870 . 3 1 1 A 76 76 GLY HA2 H 76 4.096 4.035 0.061 1
1 871 . 3 1 1 A 76 76 GLY C C 76 171.729 174.145 -2.416 1
1 872 . 3 1 1 A 76 76 GLY CA C 76 44.566 45.935 -1.369 1
1 873 . 3 1 1 A 76 76 GLY N N 76 110.975 113.791 -2.816 1
1 874 . 3 1 1 A 77 77 PRO HA H 77 4.508 4.619 -0.111 1
1 880 . 3 1 1 A 77 77 PRO CA C 77 63.054 62.834 0.220 1
1 881 . 3 1 1 A 77 77 PRO CB C 77 32.299 31.656 0.643 1
1 884 . 3 1 1 A 79 79 SER HA H 79 4.507 4.993 -0.486 1
1 887 . 3 1 1 A 79 79 SER C C 79 173.939 174.047 -0.108 1
1 888 . 3 1 1 A 79 79 SER CA C 79 58.427 56.936 1.491 1
1 889 . 3 1 1 A 79 79 SER CB C 79 64.293 65.126 -0.833 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.969 4.087 -0.118 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.969 4.087 -0.118 1
1 3 . 4 1 1 A 7 7 GLY C C 7 173.939 173.329 0.610 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.342 44.337 1.005 1
1 5 . 4 1 1 A 8 8 ALA H H 8 8.128 8.249 -0.121 1
1 6 . 4 1 1 A 8 8 ALA HA H 8 4.329 4.291 0.038 1
1 10 . 4 1 1 A 8 8 ALA C C 8 177.971 177.737 0.234 1
1 11 . 4 1 1 A 8 8 ALA CA C 8 52.565 52.267 0.298 1
1 12 . 4 1 1 A 8 8 ALA CB C 8 19.287 19.169 0.118 1
1 13 . 4 1 1 A 8 8 ALA N N 8 123.703 123.022 0.681 1
1 14 . 4 1 1 A 9 9 LEU H H 9 8.240 8.481 -0.241 1
1 15 . 4 1 1 A 9 9 LEU HA H 9 4.304 4.300 0.004 1
1 25 . 4 1 1 A 9 9 LEU C C 9 177.655 177.050 0.605 1
1 26 . 4 1 1 A 9 9 LEU CA C 9 55.570 55.082 0.488 1
1 27 . 4 1 1 A 9 9 LEU CB C 9 42.202 42.912 -0.710 1
1 31 . 4 1 1 A 9 9 LEU N N 9 121.161 122.017 -0.856 1
1 32 . 4 1 1 A 10 10 GLN H H 10 8.305 8.848 -0.543 1
1 33 . 4 1 1 A 10 10 GLN HA H 10 4.313 4.462 -0.149 1
1 40 . 4 1 1 A 10 10 GLN C C 10 175.737 175.130 0.607 1
1 41 . 4 1 1 A 10 10 GLN CA C 10 56.099 57.062 -0.963 1
1 42 . 4 1 1 A 10 10 GLN CB C 10 29.425 30.713 -1.288 1
1 44 . 4 1 1 A 10 10 GLN N N 10 120.538 122.101 -1.563 1
1 46 . 4 1 1 A 11 11 ASP H H 11 8.306 7.720 0.586 1
1 47 . 4 1 1 A 11 11 ASP HA H 11 4.589 4.657 -0.068 1
1 50 . 4 1 1 A 11 11 ASP C C 11 176.319 176.101 0.218 1
1 51 . 4 1 1 A 11 11 ASP CA C 11 54.583 53.989 0.594 1
1 52 . 4 1 1 A 11 11 ASP CB C 11 41.204 41.177 0.027 1
1 53 . 4 1 1 A 11 11 ASP N N 11 121.418 116.308 5.110 1
1 54 . 4 1 1 A 12 12 ARG H H 12 8.257 8.635 -0.378 1
1 55 . 4 1 1 A 12 12 ARG HA H 12 4.408 4.710 -0.302 1
1 62 . 4 1 1 A 12 12 ARG C C 12 176.295 176.108 0.187 1
1 63 . 4 1 1 A 12 12 ARG CA C 12 56.088 55.060 1.028 1
1 64 . 4 1 1 A 12 12 ARG CB C 12 30.579 31.774 -1.195 1
1 67 . 4 1 1 A 12 12 ARG N N 12 121.271 124.517 -3.246 1
1 68 . 4 1 1 A 13 13 THR H H 13 8.189 8.494 -0.305 1
1 69 . 4 1 1 A 13 13 THR HA H 13 4.193 4.766 -0.573 1
1 74 . 4 1 1 A 13 13 THR C C 13 174.121 173.447 0.674 1
1 75 . 4 1 1 A 13 13 THR CA C 13 62.448 61.034 1.414 1
1 76 . 4 1 1 A 13 13 THR CB C 13 69.697 70.032 -0.335 1
1 78 . 4 1 1 A 13 13 THR N N 13 114.810 113.906 0.904 1
1 79 . 4 1 1 A 14 14 GLN H H 14 8.130 8.829 -0.699 1
1 80 . 4 1 1 A 14 14 GLN HA H 14 4.314 5.069 -0.755 1
1 87 . 4 1 1 A 14 14 GLN C C 14 175.275 174.568 0.707 1
1 88 . 4 1 1 A 14 14 GLN CA C 14 55.253 54.102 1.151 1
1 89 . 4 1 1 A 14 14 GLN CB C 14 29.838 31.811 -1.973 1
1 91 . 4 1 1 A 14 14 GLN N N 14 122.533 124.855 -2.322 1
1 93 . 4 1 1 A 15 15 PHE H H 15 8.151 9.210 -1.059 1
1 94 . 4 1 1 A 15 15 PHE HA H 15 5.009 5.160 -0.151 1
1 102 . 4 1 1 A 15 15 PHE C C 15 176.465 174.155 2.310 1
1 103 . 4 1 1 A 15 15 PHE CA C 15 57.157 56.700 0.457 1
1 104 . 4 1 1 A 15 15 PHE CB C 15 40.996 43.407 -2.411 1
1 110 . 4 1 1 A 15 15 PHE N N 15 120.835 125.461 -4.626 1
1 111 . 4 1 1 A 16 16 SER H H 16 9.565 8.737 0.828 1
1 112 . 4 1 1 A 16 16 SER HA H 16 4.610 4.892 -0.282 1
1 115 . 4 1 1 A 16 16 SER C C 16 174.547 174.688 -0.141 1
1 116 . 4 1 1 A 16 16 SER CA C 16 56.946 55.891 1.055 1
1 117 . 4 1 1 A 16 16 SER CB C 16 65.545 64.881 0.664 1
1 118 . 4 1 1 A 16 16 SER N N 16 119.442 117.103 2.339 1
1 119 . 4 1 1 A 17 17 ASP H H 17 8.947 9.148 -0.201 1
1 120 . 4 1 1 A 17 17 ASP HA H 17 4.386 4.218 0.168 1
1 123 . 4 1 1 A 17 17 ASP C C 17 179.331 177.919 1.412 1
1 124 . 4 1 1 A 17 17 ASP CA C 17 58.074 58.131 -0.057 1
1 125 . 4 1 1 A 17 17 ASP CB C 17 39.875 40.850 -0.975 1
1 126 . 4 1 1 A 17 17 ASP N N 17 120.645 127.697 -7.052 1
1 127 . 4 1 1 A 18 18 ARG H H 18 8.302 8.138 0.164 1
1 128 . 4 1 1 A 18 18 ARG HA H 18 4.098 3.957 0.141 1
1 135 . 4 1 1 A 18 18 ARG C C 18 178.699 178.858 -0.159 1
1 136 . 4 1 1 A 18 18 ARG CA C 18 59.203 59.712 -0.509 1
1 137 . 4 1 1 A 18 18 ARG CB C 18 29.920 30.018 -0.098 1
1 140 . 4 1 1 A 18 18 ARG N N 18 121.398 119.309 2.089 1
1 141 . 4 1 1 A 19 19 ASP H H 19 7.853 8.141 -0.288 1
1 142 . 4 1 1 A 19 19 ASP HA H 19 4.151 4.414 -0.263 1
1 145 . 4 1 1 A 19 19 ASP C C 19 178.384 178.656 -0.272 1
1 146 . 4 1 1 A 19 19 ASP CA C 19 57.348 57.149 0.199 1
1 147 . 4 1 1 A 19 19 ASP CB C 19 40.392 40.906 -0.514 1
1 148 . 4 1 1 A 19 19 ASP N N 19 122.636 119.470 3.166 1
1 149 . 4 1 1 A 20 20 LEU H H 20 8.335 8.472 -0.137 1
1 150 . 4 1 1 A 20 20 LEU HA H 20 3.635 3.644 -0.009 1
1 160 . 4 1 1 A 20 20 LEU C C 20 179.234 178.867 0.367 1
1 161 . 4 1 1 A 20 20 LEU CA C 20 57.587 57.919 -0.332 1
1 162 . 4 1 1 A 20 20 LEU CB C 20 41.658 41.536 0.122 1
1 166 . 4 1 1 A 20 20 LEU N N 20 118.845 119.712 -0.867 1
1 167 . 4 1 1 A 21 21 ALA H H 21 7.905 8.312 -0.407 1
1 168 . 4 1 1 A 21 21 ALA HA H 21 4.123 4.048 0.075 1
1 172 . 4 1 1 A 21 21 ALA C C 21 181.031 179.680 1.351 1
1 173 . 4 1 1 A 21 21 ALA CA C 21 55.103 55.454 -0.351 1
1 174 . 4 1 1 A 21 21 ALA CB C 21 17.709 18.515 -0.806 1
1 175 . 4 1 1 A 21 21 ALA N N 21 122.007 120.256 1.751 1
1 176 . 4 1 1 A 22 22 THR H H 22 7.886 7.973 -0.087 1
1 177 . 4 1 1 A 22 22 THR HA H 22 3.954 3.871 0.083 1
1 182 . 4 1 1 A 22 22 THR C C 22 175.834 176.220 -0.386 1
1 183 . 4 1 1 A 22 22 THR CA C 22 67.081 67.289 -0.208 1
1 184 . 4 1 1 A 22 22 THR CB C 22 68.253 68.464 -0.211 1
1 186 . 4 1 1 A 22 22 THR N N 22 119.042 114.187 4.855 1
1 187 . 4 1 1 A 23 23 LEU H H 23 8.036 8.183 -0.147 1
1 188 . 4 1 1 A 23 23 LEU HA H 23 3.404 3.754 -0.350 1
1 198 . 4 1 1 A 23 23 LEU C C 23 178.335 178.692 -0.357 1
1 199 . 4 1 1 A 23 23 LEU CA C 23 59.230 58.083 1.147 1
1 200 . 4 1 1 A 23 23 LEU CB C 23 39.399 41.200 -1.801 1
1 204 . 4 1 1 A 23 23 LEU N N 23 123.450 120.565 2.885 1
1 205 . 4 1 1 A 24 24 LYS H H 24 8.166 8.213 -0.047 1
1 206 . 4 1 1 A 24 24 LYS HA H 24 4.074 4.110 -0.036 1
1 215 . 4 1 1 A 24 24 LYS C C 24 177.631 179.314 -1.683 1
1 216 . 4 1 1 A 24 24 LYS CA C 24 60.367 60.361 0.006 1
1 217 . 4 1 1 A 24 24 LYS CB C 24 32.554 32.399 0.155 1
1 221 . 4 1 1 A 24 24 LYS N N 24 117.974 116.859 1.115 1
1 222 . 4 1 1 A 25 25 LYS H H 25 7.837 7.851 -0.014 1
1 223 . 4 1 1 A 25 25 LYS HA H 25 4.205 4.019 0.186 1
1 232 . 4 1 1 A 25 25 LYS C C 25 179.695 178.702 0.993 1
1 233 . 4 1 1 A 25 25 LYS CA C 25 59.704 59.083 0.621 1
1 234 . 4 1 1 A 25 25 LYS CB C 25 31.816 32.169 -0.353 1
1 238 . 4 1 1 A 25 25 LYS N N 25 120.567 120.715 -0.148 1
1 239 . 4 1 1 A 26 26 TYR H H 26 8.158 7.966 0.192 1
1 240 . 4 1 1 A 26 26 TYR HA H 26 4.089 4.177 -0.088 1
1 247 . 4 1 1 A 26 26 TYR C C 26 180.035 178.771 1.264 1
1 248 . 4 1 1 A 26 26 TYR CA C 26 63.104 60.286 2.818 1
1 249 . 4 1 1 A 26 26 TYR CB C 26 36.926 37.858 -0.932 1
1 254 . 4 1 1 A 26 26 TYR N N 26 118.591 118.560 0.031 1
1 255 . 4 1 1 A 27 27 TRP H H 27 9.294 8.150 1.144 1
1 256 . 4 1 1 A 27 27 TRP HA H 27 4.349 4.395 -0.046 1
1 265 . 4 1 1 A 27 27 TRP C C 27 179.209 178.458 0.751 1
1 266 . 4 1 1 A 27 27 TRP CA C 27 61.357 60.610 0.747 1
1 267 . 4 1 1 A 27 27 TRP CB C 27 28.481 29.774 -1.293 1
1 273 . 4 1 1 A 27 27 TRP N N 27 125.036 122.278 2.758 1
1 275 . 4 1 1 A 28 28 ASP H H 28 9.354 8.268 1.086 1
1 276 . 4 1 1 A 28 28 ASP HA H 28 4.479 4.678 -0.199 1
1 279 . 4 1 1 A 28 28 ASP C C 28 176.999 177.197 -0.198 1
1 280 . 4 1 1 A 28 28 ASP CA C 28 57.024 56.699 0.325 1
1 281 . 4 1 1 A 28 28 ASP CB C 28 39.894 40.717 -0.823 1
1 282 . 4 1 1 A 28 28 ASP N N 28 121.650 119.277 2.373 1
1 283 . 4 1 1 A 29 29 ASN H H 29 7.569 8.280 -0.711 1
1 284 . 4 1 1 A 29 29 ASN HA H 29 4.905 4.949 -0.044 1
1 289 . 4 1 1 A 29 29 ASN C C 29 174.935 175.315 -0.380 1
1 290 . 4 1 1 A 29 29 ASN CA C 29 52.819 52.488 0.331 1
1 291 . 4 1 1 A 29 29 ASN CB C 29 39.320 38.680 0.640 1
1 292 . 4 1 1 A 29 29 ASN N N 29 116.912 116.605 0.307 1
1 294 . 4 1 1 A 30 30 GLY H H 30 7.695 7.883 -0.188 1
1 295 . 4 1 1 A 30 30 GLY HA2 H 30 3.603 3.710 -0.107 1
1 296 . 4 1 1 A 30 30 GLY HA3 H 30 4.489 3.850 0.639 1
1 297 . 4 1 1 A 30 30 GLY C C 30 174.571 174.406 0.165 1
1 298 . 4 1 1 A 30 30 GLY CA C 30 45.332 46.282 -0.950 1
1 299 . 4 1 1 A 30 30 GLY N N 30 105.356 108.114 -2.758 1
1 300 . 4 1 1 A 31 31 MET H H 31 8.574 7.917 0.657 1
1 301 . 4 1 1 A 31 31 MET HA H 31 4.769 4.458 0.311 1
1 309 . 4 1 1 A 31 31 MET C C 31 173.381 176.175 -2.794 1
1 310 . 4 1 1 A 31 31 MET CA C 31 54.301 54.200 0.101 1
1 311 . 4 1 1 A 31 31 MET CB C 31 31.899 30.862 1.037 1
1 314 . 4 1 1 A 31 31 MET N N 31 125.209 120.810 4.399 1
1 315 . 4 1 1 A 32 32 THR H H 32 7.284 7.826 -0.542 1
1 316 . 4 1 1 A 32 32 THR HA H 32 4.003 4.486 -0.483 1
1 321 . 4 1 1 A 32 32 THR C C 32 173.721 173.289 0.432 1
1 322 . 4 1 1 A 32 32 THR CA C 32 59.873 60.383 -0.510 1
1 323 . 4 1 1 A 32 32 THR CB C 32 69.651 68.299 1.352 1
1 325 . 4 1 1 A 32 32 THR N N 32 108.409 113.327 -4.918 1
1 326 . 4 1 1 A 33 33 SER H H 33 7.809 7.674 0.135 1
1 327 . 4 1 1 A 33 33 SER HA H 33 4.614 4.957 -0.343 1
1 330 . 4 1 1 A 33 33 SER C C 33 171.608 173.523 -1.915 1
1 331 . 4 1 1 A 33 33 SER CA C 33 56.764 57.286 -0.522 1
1 332 . 4 1 1 A 33 33 SER CB C 33 65.653 66.983 -1.330 1
1 333 . 4 1 1 A 33 33 SER N N 33 115.742 116.890 -1.148 1
1 334 . 4 1 1 A 34 34 LEU H H 34 8.284 8.447 -0.163 1
1 335 . 4 1 1 A 34 34 LEU HA H 34 4.488 4.390 0.098 1
1 345 . 4 1 1 A 34 34 LEU C C 34 178.335 177.655 0.680 1
1 346 . 4 1 1 A 34 34 LEU CA C 34 54.583 55.607 -1.024 1
1 347 . 4 1 1 A 34 34 LEU CB C 34 41.872 42.410 -0.538 1
1 351 . 4 1 1 A 34 34 LEU N N 34 116.566 124.133 -7.567 1
1 352 . 4 1 1 A 35 35 GLY H H 35 8.159 8.217 -0.058 1
1 353 . 4 1 1 A 35 35 GLY HA2 H 35 4.239 4.041 0.198 1
1 354 . 4 1 1 A 35 35 GLY HA3 H 35 3.949 4.045 -0.096 1
1 355 . 4 1 1 A 35 35 GLY C C 35 175.299 174.792 0.507 1
1 356 . 4 1 1 A 35 35 GLY CA C 35 44.707 45.037 -0.330 1
1 357 . 4 1 1 A 35 35 GLY N N 35 106.688 107.701 -1.013 1
1 358 . 4 1 1 A 36 36 SER HA H 36 4.123 4.146 -0.023 1
1 360 . 4 1 1 A 36 36 SER CA C 36 61.785 62.797 -1.012 1
1 361 . 4 1 1 A 36 36 SER CB C 36 62.793 62.935 -0.142 1
1 362 . 4 1 1 A 37 37 VAL HA H 37 4.155 3.854 0.301 1
1 370 . 4 1 1 A 37 37 VAL C C 37 177.048 177.093 -0.045 1
1 371 . 4 1 1 A 37 37 VAL CA C 37 64.423 65.362 -0.939 1
1 372 . 4 1 1 A 37 37 VAL CB C 37 31.486 31.428 0.058 1
1 375 . 4 1 1 A 38 38 CYS H H 38 7.746 7.622 0.124 1
1 376 . 4 1 1 A 38 38 CYS HA H 38 4.787 4.461 0.326 1
1 379 . 4 1 1 A 38 38 CYS C C 38 174.522 176.322 -1.800 1
1 380 . 4 1 1 A 38 38 CYS CA C 38 59.344 59.841 -0.497 1
1 381 . 4 1 1 A 38 38 CYS CB C 38 29.261 29.051 0.210 1
1 382 . 4 1 1 A 38 38 CYS N N 38 116.501 120.347 -3.846 1
1 383 . 4 1 1 A 39 39 ARG H H 39 7.633 8.455 -0.822 1
1 384 . 4 1 1 A 39 39 ARG HA H 39 3.847 3.918 -0.071 1
1 390 . 4 1 1 A 39 39 ARG C C 39 177.315 178.806 -1.491 1
1 391 . 4 1 1 A 39 39 ARG CA C 39 60.952 59.337 1.615 1
1 392 . 4 1 1 A 39 39 ARG CB C 39 30.332 30.011 0.321 1
1 395 . 4 1 1 A 39 39 ARG N N 39 122.520 122.760 -0.240 1
1 396 . 4 1 1 A 40 40 GLU H H 40 8.827 8.243 0.584 1
1 397 . 4 1 1 A 40 40 GLU HA H 40 4.070 4.178 -0.108 1
1 402 . 4 1 1 A 40 40 GLU C C 40 179.719 179.520 0.199 1
1 403 . 4 1 1 A 40 40 GLU CA C 40 60.065 59.348 0.717 1
1 404 . 4 1 1 A 40 40 GLU CB C 40 29.094 29.274 -0.180 1
1 406 . 4 1 1 A 40 40 GLU N N 40 116.909 117.539 -0.630 1
1 407 . 4 1 1 A 41 41 LYS H H 41 7.660 7.770 -0.110 1
1 408 . 4 1 1 A 41 41 LYS HA H 41 4.293 3.927 0.366 1
1 416 . 4 1 1 A 41 41 LYS C C 41 176.854 179.381 -2.527 1
1 417 . 4 1 1 A 41 41 LYS CA C 41 59.908 59.174 0.734 1
1 418 . 4 1 1 A 41 41 LYS CB C 41 33.704 32.425 1.279 1
1 422 . 4 1 1 A 41 41 LYS N N 41 120.497 118.460 2.037 1
1 423 . 4 1 1 A 42 42 ILE H H 42 8.050 8.134 -0.084 1
1 424 . 4 1 1 A 42 42 ILE HA H 42 3.756 3.492 0.264 1
1 434 . 4 1 1 A 42 42 ILE C C 42 177.607 178.052 -0.445 1
1 435 . 4 1 1 A 42 42 ILE CA C 42 65.460 65.194 0.266 1
1 436 . 4 1 1 A 42 42 ILE CB C 42 38.516 37.421 1.095 1
1 440 . 4 1 1 A 42 42 ILE N N 42 119.276 120.773 -1.497 1
1 441 . 4 1 1 A 43 43 GLU H H 43 8.142 8.657 -0.515 1
1 442 . 4 1 1 A 43 43 GLU HA H 43 4.011 4.016 -0.005 1
1 447 . 4 1 1 A 43 43 GLU C C 43 179.477 178.413 1.064 1
1 448 . 4 1 1 A 43 43 GLU CA C 43 59.340 59.101 0.239 1
1 449 . 4 1 1 A 43 43 GLU CB C 43 29.425 29.478 -0.053 1
1 451 . 4 1 1 A 43 43 GLU N N 43 116.432 120.624 -4.192 1
1 452 . 4 1 1 A 44 44 ALA H H 44 8.053 7.642 0.411 1
1 453 . 4 1 1 A 44 44 ALA HA H 44 4.217 4.228 -0.011 1
1 457 . 4 1 1 A 44 44 ALA C C 44 180.958 179.112 1.846 1
1 458 . 4 1 1 A 44 44 ALA CA C 44 55.453 54.636 0.817 1
1 459 . 4 1 1 A 44 44 ALA CB C 44 18.553 19.561 -1.008 1
1 460 . 4 1 1 A 44 44 ALA N N 44 122.819 122.811 0.008 1
1 461 . 4 1 1 A 45 45 VAL H H 45 8.400 7.458 0.942 1
1 462 . 4 1 1 A 45 45 VAL HA H 45 3.530 3.883 -0.353 1
1 470 . 4 1 1 A 45 45 VAL C C 45 176.465 177.128 -0.663 1
1 471 . 4 1 1 A 45 45 VAL CA C 45 65.075 64.831 0.244 1
1 472 . 4 1 1 A 45 45 VAL CB C 45 29.673 31.265 -1.592 1
1 475 . 4 1 1 A 45 45 VAL N N 45 120.862 117.079 3.783 1
1 476 . 4 1 1 A 46 46 ALA H H 46 8.225 7.679 0.546 1
1 477 . 4 1 1 A 46 46 ALA HA H 46 3.787 4.190 -0.403 1
1 481 . 4 1 1 A 46 46 ALA C C 46 180.205 179.861 0.344 1
1 482 . 4 1 1 A 46 46 ALA CA C 46 55.753 55.007 0.746 1
1 483 . 4 1 1 A 46 46 ALA CB C 46 18.516 18.526 -0.010 1
1 484 . 4 1 1 A 46 46 ALA N N 46 125.827 123.519 2.308 1
1 485 . 4 1 1 A 47 47 THR H H 47 7.850 7.702 0.148 1
1 486 . 4 1 1 A 47 47 THR HA H 47 4.084 4.025 0.059 1
1 491 . 4 1 1 A 47 47 THR C C 47 177.339 176.533 0.806 1
1 492 . 4 1 1 A 47 47 THR CA C 47 66.492 64.753 1.739 1
1 493 . 4 1 1 A 47 47 THR CB C 47 68.772 69.017 -0.245 1
1 495 . 4 1 1 A 47 47 THR N N 47 113.467 112.616 0.851 1
1 496 . 4 1 1 A 48 48 GLU H H 48 8.050 8.183 -0.133 1
1 497 . 4 1 1 A 48 48 GLU HA H 48 4.001 4.110 -0.109 1
1 502 . 4 1 1 A 48 48 GLU C C 48 178.457 178.635 -0.178 1
1 503 . 4 1 1 A 48 48 GLU CA C 48 60.174 58.580 1.594 1
1 504 . 4 1 1 A 48 48 GLU CB C 48 29.719 29.731 -0.012 1
1 506 . 4 1 1 A 48 48 GLU N N 48 123.295 121.026 2.269 1
1 507 . 4 1 1 A 49 49 LEU H H 49 8.198 7.623 0.575 1
1 508 . 4 1 1 A 49 49 LEU HA H 49 4.215 4.277 -0.062 1
1 518 . 4 1 1 A 49 49 LEU C C 49 176.344 175.874 0.470 1
1 519 . 4 1 1 A 49 49 LEU CA C 49 55.050 54.966 0.084 1
1 520 . 4 1 1 A 49 49 LEU CB C 49 42.861 42.267 0.594 1
1 524 . 4 1 1 A 49 49 LEU N N 49 115.963 117.939 -1.976 1
1 525 . 4 1 1 A 50 50 ASN H H 50 8.008 7.716 0.292 1
1 526 . 4 1 1 A 50 50 ASN HA H 50 4.411 4.271 0.140 1
1 531 . 4 1 1 A 50 50 ASN C C 50 174.522 173.702 0.820 1
1 532 . 4 1 1 A 50 50 ASN CA C 50 54.159 54.565 -0.406 1
1 533 . 4 1 1 A 50 50 ASN CB C 50 37.446 36.738 0.708 1
1 534 . 4 1 1 A 50 50 ASN N N 50 118.398 115.482 2.916 1
1 536 . 4 1 1 A 51 51 VAL H H 51 8.240 7.700 0.540 1
1 537 . 4 1 1 A 51 51 VAL HA H 51 4.792 4.857 -0.065 1
1 545 . 4 1 1 A 51 51 VAL C C 51 174.619 174.597 0.022 1
1 546 . 4 1 1 A 51 51 VAL CA C 51 58.674 58.540 0.134 1
1 547 . 4 1 1 A 51 51 VAL CB C 51 36.102 35.273 0.829 1
1 550 . 4 1 1 A 51 51 VAL N N 51 110.142 110.880 -0.738 1
1 551 . 4 1 1 A 52 52 ASP H H 52 8.164 8.619 -0.455 1
1 552 . 4 1 1 A 52 52 ASP HA H 52 4.597 4.602 -0.005 1
1 555 . 4 1 1 A 52 52 ASP C C 52 178.262 178.234 0.028 1
1 556 . 4 1 1 A 52 52 ASP CA C 52 54.423 55.013 -0.590 1
1 557 . 4 1 1 A 52 52 ASP CB C 52 43.200 40.959 2.241 1
1 558 . 4 1 1 A 52 52 ASP N N 52 120.019 123.848 -3.829 1
1 559 . 4 1 1 A 53 53 CYS H H 53 8.967 9.038 -0.071 1
1 560 . 4 1 1 A 53 53 CYS HA H 53 3.862 4.116 -0.254 1
1 563 . 4 1 1 A 53 53 CYS C C 53 176.975 177.106 -0.131 1
1 564 . 4 1 1 A 53 53 CYS CA C 53 63.438 62.452 0.986 1
1 565 . 4 1 1 A 53 53 CYS CB C 53 27.358 27.474 -0.116 1
1 566 . 4 1 1 A 53 53 CYS N N 53 122.121 122.648 -0.527 1
1 567 . 4 1 1 A 54 54 GLU H H 54 9.357 8.154 1.203 1
1 568 . 4 1 1 A 54 54 GLU HA H 54 4.083 4.089 -0.006 1
1 573 . 4 1 1 A 54 54 GLU C C 54 179.064 179.462 -0.398 1
1 574 . 4 1 1 A 54 54 GLU CA C 54 59.626 59.482 0.144 1
1 575 . 4 1 1 A 54 54 GLU CB C 54 29.178 29.481 -0.303 1
1 577 . 4 1 1 A 54 54 GLU N N 54 120.121 120.892 -0.771 1
1 578 . 4 1 1 A 55 55 ILE H H 55 7.650 8.608 -0.958 1
1 579 . 4 1 1 A 55 55 ILE HA H 55 4.005 3.881 0.124 1
1 589 . 4 1 1 A 55 55 ILE C C 55 179.331 178.467 0.864 1
1 590 . 4 1 1 A 55 55 ILE CA C 55 63.558 65.309 -1.751 1
1 591 . 4 1 1 A 55 55 ILE CB C 55 36.988 37.832 -0.844 1
1 595 . 4 1 1 A 55 55 ILE N N 55 119.061 120.634 -1.573 1
1 596 . 4 1 1 A 56 56 VAL H H 56 6.973 7.496 -0.523 1
1 597 . 4 1 1 A 56 56 VAL HA H 56 3.651 3.902 -0.251 1
1 605 . 4 1 1 A 56 56 VAL C C 56 177.874 178.173 -0.299 1
1 606 . 4 1 1 A 56 56 VAL CA C 56 66.847 66.127 0.720 1
1 607 . 4 1 1 A 56 56 VAL CB C 56 31.486 31.764 -0.278 1
1 610 . 4 1 1 A 56 56 VAL N N 56 121.206 121.405 -0.199 1
1 611 . 4 1 1 A 57 57 ARG H H 57 8.508 8.317 0.191 1
1 612 . 4 1 1 A 57 57 ARG HA H 57 3.928 4.093 -0.165 1
1 618 . 4 1 1 A 57 57 ARG C C 57 179.282 179.097 0.185 1
1 619 . 4 1 1 A 57 57 ARG CA C 57 61.095 59.801 1.294 1
1 620 . 4 1 1 A 57 57 ARG CB C 57 30.261 29.891 0.370 1
1 623 . 4 1 1 A 57 57 ARG N N 57 118.801 119.641 -0.840 1
1 624 . 4 1 1 A 58 58 THR H H 58 8.528 8.182 0.346 1
1 625 . 4 1 1 A 58 58 THR HA H 58 4.013 4.025 -0.012 1
1 630 . 4 1 1 A 58 58 THR C C 58 175.518 176.210 -0.692 1
1 631 . 4 1 1 A 58 58 THR CA C 58 66.879 66.379 0.500 1
1 632 . 4 1 1 A 58 58 THR CB C 58 68.826 68.471 0.355 1
1 634 . 4 1 1 A 58 58 THR N N 58 117.805 117.828 -0.023 1
1 635 . 4 1 1 A 59 59 TRP H H 59 7.904 8.220 -0.316 1
1 636 . 4 1 1 A 59 59 TRP HA H 59 4.228 4.370 -0.142 1
1 645 . 4 1 1 A 59 59 TRP C C 59 179.015 178.472 0.543 1
1 646 . 4 1 1 A 59 59 TRP CA C 59 63.377 61.266 2.111 1
1 647 . 4 1 1 A 59 59 TRP CB C 59 28.280 29.525 -1.245 1
1 653 . 4 1 1 A 59 59 TRP N N 59 124.326 124.331 -0.005 1
1 655 . 4 1 1 A 60 60 ILE H H 60 8.799 8.213 0.586 1
1 656 . 4 1 1 A 60 60 ILE HA H 60 3.461 3.645 -0.184 1
1 666 . 4 1 1 A 60 60 ILE C C 60 178.481 177.867 0.614 1
1 667 . 4 1 1 A 60 60 ILE CA C 60 65.878 65.151 0.727 1
1 668 . 4 1 1 A 60 60 ILE CB C 60 39.399 38.116 1.283 1
1 672 . 4 1 1 A 60 60 ILE N N 60 119.831 119.666 0.165 1
1 673 . 4 1 1 A 61 61 GLY H H 61 8.659 7.908 0.751 1
1 674 . 4 1 1 A 61 61 GLY HA2 H 61 3.705 3.784 -0.079 1
1 675 . 4 1 1 A 61 61 GLY HA3 H 61 4.118 3.792 0.326 1
1 676 . 4 1 1 A 61 61 GLY C C 61 176.878 176.213 0.665 1
1 677 . 4 1 1 A 61 61 GLY CA C 61 47.388 47.357 0.031 1
1 678 . 4 1 1 A 61 61 GLY N N 61 106.205 107.882 -1.677 1
1 679 . 4 1 1 A 62 62 ASN H H 62 8.408 7.733 0.675 1
1 680 . 4 1 1 A 62 62 ASN HA H 62 4.452 4.376 0.076 1
1 685 . 4 1 1 A 62 62 ASN C C 62 177.461 177.566 -0.105 1
1 686 . 4 1 1 A 62 62 ASN CA C 62 55.480 55.995 -0.515 1
1 687 . 4 1 1 A 62 62 ASN CB C 62 37.951 38.141 -0.190 1
1 688 . 4 1 1 A 62 62 ASN N N 62 120.644 120.046 0.598 1
1 690 . 4 1 1 A 63 63 ARG H H 63 7.816 7.979 -0.163 1
1 691 . 4 1 1 A 63 63 ARG HA H 63 3.544 3.690 -0.146 1
1 698 . 4 1 1 A 63 63 ARG C C 63 178.189 178.276 -0.087 1
1 699 . 4 1 1 A 63 63 ARG CA C 63 59.219 59.220 -0.001 1
1 700 . 4 1 1 A 63 63 ARG CB C 63 29.077 29.471 -0.394 1
1 703 . 4 1 1 A 63 63 ARG N N 63 124.207 120.365 3.842 1
1 704 . 4 1 1 A 64 64 ARG H H 64 8.578 8.224 0.354 1
1 705 . 4 1 1 A 64 64 ARG HA H 64 4.057 4.216 -0.159 1
1 712 . 4 1 1 A 64 64 ARG C C 64 179.039 178.902 0.137 1
1 713 . 4 1 1 A 64 64 ARG CA C 64 60.190 60.015 0.175 1
1 714 . 4 1 1 A 64 64 ARG CB C 64 30.579 30.097 0.482 1
1 717 . 4 1 1 A 64 64 ARG N N 64 117.839 117.627 0.212 1
1 718 . 4 1 1 A 65 65 ARG H H 65 7.712 7.440 0.272 1
1 719 . 4 1 1 A 65 65 ARG HA H 65 4.091 4.036 0.055 1
1 726 . 4 1 1 A 65 65 ARG C C 65 178.214 178.452 -0.238 1
1 727 . 4 1 1 A 65 65 ARG CA C 65 59.556 59.216 0.340 1
1 728 . 4 1 1 A 65 65 ARG CB C 65 30.167 29.869 0.298 1
1 731 . 4 1 1 A 65 65 ARG N N 65 118.827 119.664 -0.837 1
1 732 . 4 1 1 A 66 66 LYS H H 66 7.848 7.823 0.025 1
1 733 . 4 1 1 A 66 66 LYS HA H 66 3.997 3.932 0.065 1
1 741 . 4 1 1 A 66 66 LYS C C 66 178.481 179.209 -0.728 1
1 742 . 4 1 1 A 66 66 LYS CA C 66 59.110 59.139 -0.029 1
1 743 . 4 1 1 A 66 66 LYS CB C 66 32.226 32.185 0.041 1
1 747 . 4 1 1 A 66 66 LYS N N 66 120.251 117.494 2.757 1
1 748 . 4 1 1 A 67 67 TYR H H 67 8.324 8.038 0.286 1
1 749 . 4 1 1 A 67 67 TYR HA H 67 4.274 4.315 -0.041 1
1 756 . 4 1 1 A 67 67 TYR C C 67 177.412 178.401 -0.989 1
1 757 . 4 1 1 A 67 67 TYR CA C 67 60.576 61.364 -0.788 1
1 758 . 4 1 1 A 67 67 TYR CB C 67 37.043 38.440 -1.397 1
1 763 . 4 1 1 A 67 67 TYR N N 67 118.725 119.619 -0.894 1
1 764 . 4 1 1 A 68 68 ARG H H 68 8.084 8.213 -0.129 1
1 765 . 4 1 1 A 68 68 ARG HA H 68 4.218 4.326 -0.108 1
1 772 . 4 1 1 A 68 68 ARG C C 68 179.209 178.678 0.531 1
1 773 . 4 1 1 A 68 68 ARG CA C 68 58.616 59.605 -0.989 1
1 774 . 4 1 1 A 68 68 ARG CB C 68 29.343 30.114 -0.771 1
1 777 . 4 1 1 A 68 68 ARG N N 68 119.763 118.860 0.903 1
1 778 . 4 1 1 A 69 69 LEU H H 69 8.168 8.382 -0.214 1
1 779 . 4 1 1 A 69 69 LEU HA H 69 4.244 3.993 0.251 1
1 789 . 4 1 1 A 69 69 LEU C C 69 178.457 179.189 -0.732 1
1 790 . 4 1 1 A 69 69 LEU CA C 69 56.981 57.914 -0.933 1
1 791 . 4 1 1 A 69 69 LEU CB C 69 41.955 41.608 0.347 1
1 795 . 4 1 1 A 69 69 LEU N N 69 120.874 119.747 1.127 1
1 796 . 4 1 1 A 70 70 MET H H 70 7.942 7.939 0.003 1
1 797 . 4 1 1 A 70 70 MET HA H 70 4.440 4.467 -0.027 1
1 805 . 4 1 1 A 70 70 MET C C 70 176.417 176.207 0.210 1
1 806 . 4 1 1 A 70 70 MET CA C 70 55.958 56.188 -0.230 1
1 807 . 4 1 1 A 70 70 MET CB C 70 33.711 33.239 0.472 1
1 810 . 4 1 1 A 70 70 MET N N 70 117.335 117.445 -0.110 1
1 811 . 4 1 1 A 71 71 GLY H H 71 8.107 8.154 -0.047 1
1 812 . 4 1 1 A 71 71 GLY HA2 H 71 3.906 4.064 -0.158 1
1 813 . 4 1 1 A 71 71 GLY HA3 H 71 4.055 4.066 -0.011 1
1 814 . 4 1 1 A 71 71 GLY C C 71 174.255 174.792 -0.537 1
1 815 . 4 1 1 A 71 71 GLY CA C 71 45.852 45.297 0.555 1
1 816 . 4 1 1 A 71 71 GLY N N 71 109.096 107.131 1.965 1
1 817 . 4 1 1 A 72 72 ILE H H 72 8.036 7.938 0.098 1
1 818 . 4 1 1 A 72 72 ILE HA H 72 4.197 4.029 0.168 1
1 828 . 4 1 1 A 72 72 ILE C C 72 175.712 176.835 -1.123 1
1 829 . 4 1 1 A 72 72 ILE CA C 72 60.626 61.977 -1.351 1
1 830 . 4 1 1 A 72 72 ILE CB C 72 39.203 37.894 1.309 1
1 834 . 4 1 1 A 72 72 ILE N N 72 120.615 122.622 -2.007 1
1 835 . 4 1 1 A 73 73 GLU H H 73 8.523 8.749 -0.226 1
1 836 . 4 1 1 A 73 73 GLU HA H 73 4.306 4.315 -0.009 1
1 841 . 4 1 1 A 73 73 GLU C C 73 176.417 177.539 -1.122 1
1 842 . 4 1 1 A 73 73 GLU CA C 73 56.551 56.585 -0.034 1
1 843 . 4 1 1 A 73 73 GLU CB C 73 30.167 28.957 1.210 1
1 845 . 4 1 1 A 73 73 GLU N N 73 125.837 128.043 -2.206 1
1 846 . 4 1 1 A 74 74 VAL H H 74 8.319 7.853 0.466 1
1 847 . 4 1 1 A 74 74 VAL HA H 74 4.187 3.820 0.367 1
1 855 . 4 1 1 A 74 74 VAL C C 74 176.052 176.251 -0.199 1
1 856 . 4 1 1 A 74 74 VAL CA C 74 62.103 64.944 -2.841 1
1 857 . 4 1 1 A 74 74 VAL CB C 74 33.063 31.641 1.422 1
1 860 . 4 1 1 A 74 74 VAL N N 74 122.642 120.967 1.675 1
1 861 . 4 1 1 A 75 75 SER H H 75 8.460 8.036 0.424 1
1 862 . 4 1 1 A 75 75 SER HA H 75 4.469 4.545 -0.076 1
1 865 . 4 1 1 A 75 75 SER C C 75 174.547 173.492 1.055 1
1 866 . 4 1 1 A 75 75 SER CA C 75 58.413 57.942 0.471 1
1 867 . 4 1 1 A 75 75 SER CB C 75 64.015 61.614 2.401 1
1 868 . 4 1 1 A 75 75 SER N N 75 120.411 115.737 4.674 1
1 869 . 4 1 1 A 76 76 GLY H H 76 8.307 8.013 0.294 1
1 870 . 4 1 1 A 76 76 GLY HA2 H 76 4.096 4.298 -0.202 1
1 871 . 4 1 1 A 76 76 GLY C C 76 171.729 174.410 -2.681 1
1 872 . 4 1 1 A 76 76 GLY CA C 76 44.566 44.366 0.200 1
1 873 . 4 1 1 A 76 76 GLY N N 76 110.975 112.908 -1.933 1
1 874 . 4 1 1 A 77 77 PRO HA H 77 4.508 4.276 0.232 1
1 880 . 4 1 1 A 77 77 PRO CA C 77 63.054 64.960 -1.906 1
1 881 . 4 1 1 A 77 77 PRO CB C 77 32.299 31.756 0.543 1
1 884 . 4 1 1 A 79 79 SER HA H 79 4.507 4.689 -0.182 1
1 887 . 4 1 1 A 79 79 SER C C 79 173.939 173.731 0.208 1
1 888 . 4 1 1 A 79 79 SER CA C 79 58.427 57.820 0.607 1
1 889 . 4 1 1 A 79 79 SER CB C 79 64.293 64.325 -0.032 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.969 4.128 -0.159 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.969 4.129 -0.160 1
1 3 . 5 1 1 A 7 7 GLY C C 7 173.939 172.098 1.841 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.342 45.856 -0.514 1
1 5 . 5 1 1 A 8 8 ALA H H 8 8.128 8.191 -0.063 1
1 6 . 5 1 1 A 8 8 ALA HA H 8 4.329 4.436 -0.107 1
1 10 . 5 1 1 A 8 8 ALA C C 8 177.971 176.693 1.278 1
1 11 . 5 1 1 A 8 8 ALA CA C 8 52.565 52.096 0.469 1
1 12 . 5 1 1 A 8 8 ALA CB C 8 19.287 18.687 0.600 1
1 13 . 5 1 1 A 8 8 ALA N N 8 123.703 124.046 -0.343 1
1 14 . 5 1 1 A 9 9 LEU H H 9 8.240 8.489 -0.249 1
1 15 . 5 1 1 A 9 9 LEU HA H 9 4.304 5.351 -1.047 1
1 25 . 5 1 1 A 9 9 LEU C C 9 177.655 174.763 2.892 1
1 26 . 5 1 1 A 9 9 LEU CA C 9 55.570 52.688 2.882 1
1 27 . 5 1 1 A 9 9 LEU CB C 9 42.202 46.052 -3.850 1
1 31 . 5 1 1 A 9 9 LEU N N 9 121.161 119.622 1.539 1
1 32 . 5 1 1 A 10 10 GLN H H 10 8.305 8.924 -0.619 1
1 33 . 5 1 1 A 10 10 GLN HA H 10 4.313 4.824 -0.511 1
1 40 . 5 1 1 A 10 10 GLN C C 10 175.737 174.249 1.488 1
1 41 . 5 1 1 A 10 10 GLN CA C 10 56.099 54.554 1.545 1
1 42 . 5 1 1 A 10 10 GLN CB C 10 29.425 30.082 -0.657 1
1 44 . 5 1 1 A 10 10 GLN N N 10 120.538 120.344 0.194 1
1 46 . 5 1 1 A 11 11 ASP H H 11 8.306 8.376 -0.070 1
1 47 . 5 1 1 A 11 11 ASP HA H 11 4.589 5.172 -0.583 1
1 50 . 5 1 1 A 11 11 ASP C C 11 176.319 174.868 1.451 1
1 51 . 5 1 1 A 11 11 ASP CA C 11 54.583 53.472 1.111 1
1 52 . 5 1 1 A 11 11 ASP CB C 11 41.204 44.996 -3.792 1
1 53 . 5 1 1 A 11 11 ASP N N 11 121.418 125.775 -4.357 1
1 54 . 5 1 1 A 12 12 ARG H H 12 8.257 8.739 -0.482 1
1 55 . 5 1 1 A 12 12 ARG HA H 12 4.408 4.698 -0.290 1
1 62 . 5 1 1 A 12 12 ARG C C 12 176.295 175.152 1.143 1
1 63 . 5 1 1 A 12 12 ARG CA C 12 56.088 54.591 1.497 1
1 64 . 5 1 1 A 12 12 ARG CB C 12 30.579 30.337 0.242 1
1 67 . 5 1 1 A 12 12 ARG N N 12 121.271 122.531 -1.260 1
1 68 . 5 1 1 A 13 13 THR H H 13 8.189 8.568 -0.379 1
1 69 . 5 1 1 A 13 13 THR HA H 13 4.193 4.253 -0.060 1
1 74 . 5 1 1 A 13 13 THR C C 13 174.121 173.938 0.183 1
1 75 . 5 1 1 A 13 13 THR CA C 13 62.448 63.159 -0.711 1
1 76 . 5 1 1 A 13 13 THR CB C 13 69.697 67.973 1.724 1
1 78 . 5 1 1 A 13 13 THR N N 13 114.810 121.030 -6.220 1
1 79 . 5 1 1 A 14 14 GLN H H 14 8.130 8.191 -0.061 1
1 80 . 5 1 1 A 14 14 GLN HA H 14 4.314 4.607 -0.293 1
1 87 . 5 1 1 A 14 14 GLN C C 14 175.275 175.917 -0.642 1
1 88 . 5 1 1 A 14 14 GLN CA C 14 55.253 56.228 -0.975 1
1 89 . 5 1 1 A 14 14 GLN CB C 14 29.838 29.639 0.199 1
1 91 . 5 1 1 A 14 14 GLN N N 14 122.533 125.846 -3.313 1
1 93 . 5 1 1 A 15 15 PHE H H 15 8.151 8.814 -0.663 1
1 94 . 5 1 1 A 15 15 PHE HA H 15 5.009 4.700 0.309 1
1 102 . 5 1 1 A 15 15 PHE C C 15 176.465 175.650 0.815 1
1 103 . 5 1 1 A 15 15 PHE CA C 15 57.157 57.971 -0.814 1
1 104 . 5 1 1 A 15 15 PHE CB C 15 40.996 40.114 0.882 1
1 110 . 5 1 1 A 15 15 PHE N N 15 120.835 121.250 -0.415 1
1 111 . 5 1 1 A 16 16 SER H H 16 9.565 9.106 0.459 1
1 112 . 5 1 1 A 16 16 SER HA H 16 4.610 4.566 0.044 1
1 115 . 5 1 1 A 16 16 SER C C 16 174.547 175.607 -1.060 1
1 116 . 5 1 1 A 16 16 SER CA C 16 56.946 58.526 -1.580 1
1 117 . 5 1 1 A 16 16 SER CB C 16 65.545 64.086 1.459 1
1 118 . 5 1 1 A 16 16 SER N N 16 119.442 119.636 -0.194 1
1 119 . 5 1 1 A 17 17 ASP H H 17 8.947 9.022 -0.075 1
1 120 . 5 1 1 A 17 17 ASP HA H 17 4.386 4.246 0.140 1
1 123 . 5 1 1 A 17 17 ASP C C 17 179.331 178.249 1.082 1
1 124 . 5 1 1 A 17 17 ASP CA C 17 58.074 58.132 -0.058 1
1 125 . 5 1 1 A 17 17 ASP CB C 17 39.875 40.403 -0.528 1
1 126 . 5 1 1 A 17 17 ASP N N 17 120.645 124.832 -4.187 1
1 127 . 5 1 1 A 18 18 ARG H H 18 8.302 8.306 -0.004 1
1 128 . 5 1 1 A 18 18 ARG HA H 18 4.098 3.947 0.151 1
1 135 . 5 1 1 A 18 18 ARG C C 18 178.699 178.808 -0.109 1
1 136 . 5 1 1 A 18 18 ARG CA C 18 59.203 59.835 -0.632 1
1 137 . 5 1 1 A 18 18 ARG CB C 18 29.920 30.134 -0.214 1
1 140 . 5 1 1 A 18 18 ARG N N 18 121.398 119.326 2.072 1
1 141 . 5 1 1 A 19 19 ASP H H 19 7.853 7.961 -0.108 1
1 142 . 5 1 1 A 19 19 ASP HA H 19 4.151 4.303 -0.152 1
1 145 . 5 1 1 A 19 19 ASP C C 19 178.384 178.555 -0.171 1
1 146 . 5 1 1 A 19 19 ASP CA C 19 57.348 57.141 0.207 1
1 147 . 5 1 1 A 19 19 ASP CB C 19 40.392 40.922 -0.530 1
1 148 . 5 1 1 A 19 19 ASP N N 19 122.636 120.063 2.573 1
1 149 . 5 1 1 A 20 20 LEU H H 20 8.335 8.522 -0.187 1
1 150 . 5 1 1 A 20 20 LEU HA H 20 3.635 3.560 0.075 1
1 160 . 5 1 1 A 20 20 LEU C C 20 179.234 179.060 0.174 1
1 161 . 5 1 1 A 20 20 LEU CA C 20 57.587 57.972 -0.385 1
1 162 . 5 1 1 A 20 20 LEU CB C 20 41.658 41.557 0.101 1
1 166 . 5 1 1 A 20 20 LEU N N 20 118.845 119.500 -0.655 1
1 167 . 5 1 1 A 21 21 ALA H H 21 7.905 8.290 -0.385 1
1 168 . 5 1 1 A 21 21 ALA HA H 21 4.123 4.020 0.103 1
1 172 . 5 1 1 A 21 21 ALA C C 21 181.031 179.960 1.071 1
1 173 . 5 1 1 A 21 21 ALA CA C 21 55.103 55.522 -0.419 1
1 174 . 5 1 1 A 21 21 ALA CB C 21 17.709 18.695 -0.986 1
1 175 . 5 1 1 A 21 21 ALA N N 21 122.007 120.709 1.298 1
1 176 . 5 1 1 A 22 22 THR H H 22 7.886 8.212 -0.326 1
1 177 . 5 1 1 A 22 22 THR HA H 22 3.954 3.824 0.130 1
1 182 . 5 1 1 A 22 22 THR C C 22 175.834 176.252 -0.418 1
1 183 . 5 1 1 A 22 22 THR CA C 22 67.081 67.591 -0.510 1
1 184 . 5 1 1 A 22 22 THR CB C 22 68.253 68.765 -0.512 1
1 186 . 5 1 1 A 22 22 THR N N 22 119.042 113.296 5.746 1
1 187 . 5 1 1 A 23 23 LEU H H 23 8.036 8.151 -0.115 1
1 188 . 5 1 1 A 23 23 LEU HA H 23 3.404 3.672 -0.268 1
1 198 . 5 1 1 A 23 23 LEU C C 23 178.335 178.759 -0.424 1
1 199 . 5 1 1 A 23 23 LEU CA C 23 59.230 58.041 1.189 1
1 200 . 5 1 1 A 23 23 LEU CB C 23 39.399 41.198 -1.799 1
1 204 . 5 1 1 A 23 23 LEU N N 23 123.450 120.658 2.792 1
1 205 . 5 1 1 A 24 24 LYS H H 24 8.166 8.246 -0.080 1
1 206 . 5 1 1 A 24 24 LYS HA H 24 4.074 4.096 -0.022 1
1 215 . 5 1 1 A 24 24 LYS C C 24 177.631 179.311 -1.680 1
1 216 . 5 1 1 A 24 24 LYS CA C 24 60.367 60.406 -0.039 1
1 217 . 5 1 1 A 24 24 LYS CB C 24 32.554 32.379 0.175 1
1 221 . 5 1 1 A 24 24 LYS N N 24 117.974 116.618 1.356 1
1 222 . 5 1 1 A 25 25 LYS H H 25 7.837 8.127 -0.290 1
1 223 . 5 1 1 A 25 25 LYS HA H 25 4.205 4.042 0.163 1
1 232 . 5 1 1 A 25 25 LYS C C 25 179.695 178.541 1.154 1
1 233 . 5 1 1 A 25 25 LYS CA C 25 59.704 59.108 0.596 1
1 234 . 5 1 1 A 25 25 LYS CB C 25 31.816 32.181 -0.365 1
1 238 . 5 1 1 A 25 25 LYS N N 25 120.567 120.695 -0.128 1
1 239 . 5 1 1 A 26 26 TYR H H 26 8.158 8.191 -0.033 1
1 240 . 5 1 1 A 26 26 TYR HA H 26 4.089 4.174 -0.085 1
1 247 . 5 1 1 A 26 26 TYR C C 26 180.035 178.714 1.321 1
1 248 . 5 1 1 A 26 26 TYR CA C 26 63.104 60.350 2.754 1
1 249 . 5 1 1 A 26 26 TYR CB C 26 36.926 38.055 -1.129 1
1 254 . 5 1 1 A 26 26 TYR N N 26 118.591 118.398 0.193 1
1 255 . 5 1 1 A 27 27 TRP H H 27 9.294 8.084 1.210 1
1 256 . 5 1 1 A 27 27 TRP HA H 27 4.349 4.352 -0.003 1
1 265 . 5 1 1 A 27 27 TRP C C 27 179.209 178.439 0.770 1
1 266 . 5 1 1 A 27 27 TRP CA C 27 61.357 60.599 0.758 1
1 267 . 5 1 1 A 27 27 TRP CB C 27 28.481 29.819 -1.338 1
1 273 . 5 1 1 A 27 27 TRP N N 27 125.036 122.300 2.736 1
1 275 . 5 1 1 A 28 28 ASP H H 28 9.354 8.159 1.195 1
1 276 . 5 1 1 A 28 28 ASP HA H 28 4.479 4.681 -0.202 1
1 279 . 5 1 1 A 28 28 ASP C C 28 176.999 177.041 -0.042 1
1 280 . 5 1 1 A 28 28 ASP CA C 28 57.024 56.894 0.130 1
1 281 . 5 1 1 A 28 28 ASP CB C 28 39.894 40.722 -0.828 1
1 282 . 5 1 1 A 28 28 ASP N N 28 121.650 119.342 2.308 1
1 283 . 5 1 1 A 29 29 ASN H H 29 7.569 8.249 -0.680 1
1 284 . 5 1 1 A 29 29 ASN HA H 29 4.905 4.937 -0.032 1
1 289 . 5 1 1 A 29 29 ASN C C 29 174.935 175.557 -0.622 1
1 290 . 5 1 1 A 29 29 ASN CA C 29 52.819 52.616 0.203 1
1 291 . 5 1 1 A 29 29 ASN CB C 29 39.320 39.063 0.257 1
1 292 . 5 1 1 A 29 29 ASN N N 29 116.912 115.735 1.177 1
1 294 . 5 1 1 A 30 30 GLY H H 30 7.695 7.849 -0.154 1
1 295 . 5 1 1 A 30 30 GLY HA2 H 30 3.603 3.719 -0.116 1
1 296 . 5 1 1 A 30 30 GLY HA3 H 30 4.489 3.853 0.636 1
1 297 . 5 1 1 A 30 30 GLY C C 30 174.571 174.417 0.154 1
1 298 . 5 1 1 A 30 30 GLY CA C 30 45.332 46.346 -1.014 1
1 299 . 5 1 1 A 30 30 GLY N N 30 105.356 108.529 -3.173 1
1 300 . 5 1 1 A 31 31 MET H H 31 8.574 7.918 0.656 1
1 301 . 5 1 1 A 31 31 MET HA H 31 4.769 4.478 0.291 1
1 309 . 5 1 1 A 31 31 MET C C 31 173.381 176.210 -2.829 1
1 310 . 5 1 1 A 31 31 MET CA C 31 54.301 54.190 0.111 1
1 311 . 5 1 1 A 31 31 MET CB C 31 31.899 30.870 1.029 1
1 314 . 5 1 1 A 31 31 MET N N 31 125.209 120.586 4.623 1
1 315 . 5 1 1 A 32 32 THR H H 32 7.284 7.643 -0.359 1
1 316 . 5 1 1 A 32 32 THR HA H 32 4.003 4.400 -0.397 1
1 321 . 5 1 1 A 32 32 THR C C 32 173.721 173.350 0.371 1
1 322 . 5 1 1 A 32 32 THR CA C 32 59.873 60.272 -0.399 1
1 323 . 5 1 1 A 32 32 THR CB C 32 69.651 68.136 1.515 1
1 325 . 5 1 1 A 32 32 THR N N 32 108.409 113.199 -4.790 1
1 326 . 5 1 1 A 33 33 SER H H 33 7.809 7.621 0.188 1
1 327 . 5 1 1 A 33 33 SER HA H 33 4.614 4.998 -0.384 1
1 330 . 5 1 1 A 33 33 SER C C 33 171.608 173.532 -1.924 1
1 331 . 5 1 1 A 33 33 SER CA C 33 56.764 57.176 -0.412 1
1 332 . 5 1 1 A 33 33 SER CB C 33 65.653 66.679 -1.026 1
1 333 . 5 1 1 A 33 33 SER N N 33 115.742 117.170 -1.428 1
1 334 . 5 1 1 A 34 34 LEU H H 34 8.284 8.430 -0.146 1
1 335 . 5 1 1 A 34 34 LEU HA H 34 4.488 4.378 0.110 1
1 345 . 5 1 1 A 34 34 LEU C C 34 178.335 177.456 0.879 1
1 346 . 5 1 1 A 34 34 LEU CA C 34 54.583 55.254 -0.671 1
1 347 . 5 1 1 A 34 34 LEU CB C 34 41.872 42.622 -0.750 1
1 351 . 5 1 1 A 34 34 LEU N N 34 116.566 124.120 -7.554 1
1 352 . 5 1 1 A 35 35 GLY H H 35 8.159 8.118 0.041 1
1 353 . 5 1 1 A 35 35 GLY HA2 H 35 4.239 4.096 0.143 1
1 354 . 5 1 1 A 35 35 GLY HA3 H 35 3.949 4.101 -0.152 1
1 355 . 5 1 1 A 35 35 GLY C C 35 175.299 175.204 0.095 1
1 356 . 5 1 1 A 35 35 GLY CA C 35 44.707 44.888 -0.181 1
1 357 . 5 1 1 A 35 35 GLY N N 35 106.688 107.598 -0.910 1
1 358 . 5 1 1 A 36 36 SER HA H 36 4.123 4.146 -0.023 1
1 360 . 5 1 1 A 36 36 SER CA C 36 61.785 61.385 0.400 1
1 361 . 5 1 1 A 36 36 SER CB C 36 62.793 62.545 0.248 1
1 362 . 5 1 1 A 37 37 VAL HA H 37 4.155 3.847 0.308 1
1 370 . 5 1 1 A 37 37 VAL C C 37 177.048 176.913 0.135 1
1 371 . 5 1 1 A 37 37 VAL CA C 37 64.423 65.385 -0.962 1
1 372 . 5 1 1 A 37 37 VAL CB C 37 31.486 31.368 0.118 1
1 375 . 5 1 1 A 38 38 CYS H H 38 7.746 7.526 0.220 1
1 376 . 5 1 1 A 38 38 CYS HA H 38 4.787 4.494 0.293 1
1 379 . 5 1 1 A 38 38 CYS C C 38 174.522 176.130 -1.608 1
1 380 . 5 1 1 A 38 38 CYS CA C 38 59.344 59.982 -0.638 1
1 381 . 5 1 1 A 38 38 CYS CB C 38 29.261 29.226 0.035 1
1 382 . 5 1 1 A 38 38 CYS N N 38 116.501 120.349 -3.848 1
1 383 . 5 1 1 A 39 39 ARG H H 39 7.633 8.164 -0.531 1
1 384 . 5 1 1 A 39 39 ARG HA H 39 3.847 3.949 -0.102 1
1 390 . 5 1 1 A 39 39 ARG C C 39 177.315 178.717 -1.402 1
1 391 . 5 1 1 A 39 39 ARG CA C 39 60.952 59.541 1.411 1
1 392 . 5 1 1 A 39 39 ARG CB C 39 30.332 30.198 0.134 1
1 395 . 5 1 1 A 39 39 ARG N N 39 122.520 122.653 -0.133 1
1 396 . 5 1 1 A 40 40 GLU H H 40 8.827 8.183 0.644 1
1 397 . 5 1 1 A 40 40 GLU HA H 40 4.070 3.955 0.115 1
1 402 . 5 1 1 A 40 40 GLU C C 40 179.719 179.372 0.347 1
1 403 . 5 1 1 A 40 40 GLU CA C 40 60.065 59.386 0.679 1
1 404 . 5 1 1 A 40 40 GLU CB C 40 29.094 29.381 -0.287 1
1 406 . 5 1 1 A 40 40 GLU N N 40 116.909 117.328 -0.419 1
1 407 . 5 1 1 A 41 41 LYS H H 41 7.660 7.930 -0.270 1
1 408 . 5 1 1 A 41 41 LYS HA H 41 4.293 4.095 0.198 1
1 416 . 5 1 1 A 41 41 LYS C C 41 176.854 179.315 -2.461 1
1 417 . 5 1 1 A 41 41 LYS CA C 41 59.908 59.174 0.734 1
1 418 . 5 1 1 A 41 41 LYS CB C 41 33.704 32.148 1.556 1
1 422 . 5 1 1 A 41 41 LYS N N 41 120.497 118.916 1.581 1
1 423 . 5 1 1 A 42 42 ILE H H 42 8.050 8.200 -0.150 1
1 424 . 5 1 1 A 42 42 ILE HA H 42 3.756 3.548 0.208 1
1 434 . 5 1 1 A 42 42 ILE C C 42 177.607 177.845 -0.238 1
1 435 . 5 1 1 A 42 42 ILE CA C 42 65.460 64.838 0.622 1
1 436 . 5 1 1 A 42 42 ILE CB C 42 38.516 37.359 1.157 1
1 440 . 5 1 1 A 42 42 ILE N N 42 119.276 120.694 -1.418 1
1 441 . 5 1 1 A 43 43 GLU H H 43 8.142 8.543 -0.401 1
1 442 . 5 1 1 A 43 43 GLU HA H 43 4.011 4.007 0.004 1
1 447 . 5 1 1 A 43 43 GLU C C 43 179.477 178.402 1.075 1
1 448 . 5 1 1 A 43 43 GLU CA C 43 59.340 59.073 0.267 1
1 449 . 5 1 1 A 43 43 GLU CB C 43 29.425 29.393 0.032 1
1 451 . 5 1 1 A 43 43 GLU N N 43 116.432 120.472 -4.040 1
1 452 . 5 1 1 A 44 44 ALA H H 44 8.053 7.972 0.081 1
1 453 . 5 1 1 A 44 44 ALA HA H 44 4.217 4.226 -0.009 1
1 457 . 5 1 1 A 44 44 ALA C C 44 180.958 179.032 1.926 1
1 458 . 5 1 1 A 44 44 ALA CA C 44 55.453 54.611 0.842 1
1 459 . 5 1 1 A 44 44 ALA CB C 44 18.553 19.582 -1.029 1
1 460 . 5 1 1 A 44 44 ALA N N 44 122.819 122.882 -0.063 1
1 461 . 5 1 1 A 45 45 VAL H H 45 8.400 7.322 1.078 1
1 462 . 5 1 1 A 45 45 VAL HA H 45 3.530 3.631 -0.101 1
1 470 . 5 1 1 A 45 45 VAL C C 45 176.465 177.168 -0.703 1
1 471 . 5 1 1 A 45 45 VAL CA C 45 65.075 64.740 0.335 1
1 472 . 5 1 1 A 45 45 VAL CB C 45 29.673 30.907 -1.234 1
1 475 . 5 1 1 A 45 45 VAL N N 45 120.862 116.892 3.970 1
1 476 . 5 1 1 A 46 46 ALA H H 46 8.225 7.736 0.489 1
1 477 . 5 1 1 A 46 46 ALA HA H 46 3.787 4.088 -0.301 1
1 481 . 5 1 1 A 46 46 ALA C C 46 180.205 179.753 0.452 1
1 482 . 5 1 1 A 46 46 ALA CA C 46 55.753 55.232 0.521 1
1 483 . 5 1 1 A 46 46 ALA CB C 46 18.516 18.637 -0.121 1
1 484 . 5 1 1 A 46 46 ALA N N 46 125.827 123.857 1.970 1
1 485 . 5 1 1 A 47 47 THR H H 47 7.850 7.485 0.365 1
1 486 . 5 1 1 A 47 47 THR HA H 47 4.084 4.015 0.069 1
1 491 . 5 1 1 A 47 47 THR C C 47 177.339 176.380 0.959 1
1 492 . 5 1 1 A 47 47 THR CA C 47 66.492 64.634 1.858 1
1 493 . 5 1 1 A 47 47 THR CB C 47 68.772 69.010 -0.238 1
1 495 . 5 1 1 A 47 47 THR N N 47 113.467 112.536 0.931 1
1 496 . 5 1 1 A 48 48 GLU H H 48 8.050 8.239 -0.189 1
1 497 . 5 1 1 A 48 48 GLU HA H 48 4.001 4.078 -0.077 1
1 502 . 5 1 1 A 48 48 GLU C C 48 178.457 178.367 0.090 1
1 503 . 5 1 1 A 48 48 GLU CA C 48 60.174 58.643 1.531 1
1 504 . 5 1 1 A 48 48 GLU CB C 48 29.719 29.581 0.138 1
1 506 . 5 1 1 A 48 48 GLU N N 48 123.295 120.853 2.442 1
1 507 . 5 1 1 A 49 49 LEU H H 49 8.198 7.547 0.651 1
1 508 . 5 1 1 A 49 49 LEU HA H 49 4.215 4.273 -0.058 1
1 518 . 5 1 1 A 49 49 LEU C C 49 176.344 175.879 0.465 1
1 519 . 5 1 1 A 49 49 LEU CA C 49 55.050 54.908 0.142 1
1 520 . 5 1 1 A 49 49 LEU CB C 49 42.861 42.199 0.662 1
1 524 . 5 1 1 A 49 49 LEU N N 49 115.963 118.052 -2.089 1
1 525 . 5 1 1 A 50 50 ASN H H 50 8.008 8.031 -0.023 1
1 526 . 5 1 1 A 50 50 ASN HA H 50 4.411 4.288 0.123 1
1 531 . 5 1 1 A 50 50 ASN C C 50 174.522 173.873 0.649 1
1 532 . 5 1 1 A 50 50 ASN CA C 50 54.159 54.556 -0.397 1
1 533 . 5 1 1 A 50 50 ASN CB C 50 37.446 36.685 0.761 1
1 534 . 5 1 1 A 50 50 ASN N N 50 118.398 115.507 2.891 1
1 536 . 5 1 1 A 51 51 VAL H H 51 8.240 7.486 0.754 1
1 537 . 5 1 1 A 51 51 VAL HA H 51 4.792 4.815 -0.023 1
1 545 . 5 1 1 A 51 51 VAL C C 51 174.619 174.057 0.562 1
1 546 . 5 1 1 A 51 51 VAL CA C 51 58.674 58.483 0.191 1
1 547 . 5 1 1 A 51 51 VAL CB C 51 36.102 35.182 0.920 1
1 550 . 5 1 1 A 51 51 VAL N N 51 110.142 111.191 -1.049 1
1 551 . 5 1 1 A 52 52 ASP H H 52 8.164 8.715 -0.551 1
1 552 . 5 1 1 A 52 52 ASP HA H 52 4.597 4.641 -0.044 1
1 555 . 5 1 1 A 52 52 ASP C C 52 178.262 177.370 0.892 1
1 556 . 5 1 1 A 52 52 ASP CA C 52 54.423 54.297 0.126 1
1 557 . 5 1 1 A 52 52 ASP CB C 52 43.200 41.904 1.296 1
1 558 . 5 1 1 A 52 52 ASP N N 52 120.019 123.359 -3.340 1
1 559 . 5 1 1 A 53 53 CYS H H 53 8.967 8.893 0.074 1
1 560 . 5 1 1 A 53 53 CYS HA H 53 3.862 4.013 -0.151 1
1 563 . 5 1 1 A 53 53 CYS C C 53 176.975 176.836 0.139 1
1 564 . 5 1 1 A 53 53 CYS CA C 53 63.438 62.475 0.963 1
1 565 . 5 1 1 A 53 53 CYS CB C 53 27.358 26.939 0.419 1
1 566 . 5 1 1 A 53 53 CYS N N 53 122.121 126.494 -4.373 1
1 567 . 5 1 1 A 54 54 GLU H H 54 9.357 8.139 1.218 1
1 568 . 5 1 1 A 54 54 GLU HA H 54 4.083 4.060 0.023 1
1 573 . 5 1 1 A 54 54 GLU C C 54 179.064 179.279 -0.215 1
1 574 . 5 1 1 A 54 54 GLU CA C 54 59.626 59.559 0.067 1
1 575 . 5 1 1 A 54 54 GLU CB C 54 29.178 29.436 -0.258 1
1 577 . 5 1 1 A 54 54 GLU N N 54 120.121 120.818 -0.697 1
1 578 . 5 1 1 A 55 55 ILE H H 55 7.650 8.362 -0.712 1
1 579 . 5 1 1 A 55 55 ILE HA H 55 4.005 3.802 0.203 1
1 589 . 5 1 1 A 55 55 ILE C C 55 179.331 178.803 0.528 1
1 590 . 5 1 1 A 55 55 ILE CA C 55 63.558 65.402 -1.844 1
1 591 . 5 1 1 A 55 55 ILE CB C 55 36.988 38.017 -1.029 1
1 595 . 5 1 1 A 55 55 ILE N N 55 119.061 120.161 -1.100 1
1 596 . 5 1 1 A 56 56 VAL H H 56 6.973 8.539 -1.566 1
1 597 . 5 1 1 A 56 56 VAL HA H 56 3.651 3.659 -0.008 1
1 605 . 5 1 1 A 56 56 VAL C C 56 177.874 178.203 -0.329 1
1 606 . 5 1 1 A 56 56 VAL CA C 56 66.847 66.777 0.070 1
1 607 . 5 1 1 A 56 56 VAL CB C 56 31.486 31.699 -0.213 1
1 610 . 5 1 1 A 56 56 VAL N N 56 121.206 120.488 0.718 1
1 611 . 5 1 1 A 57 57 ARG H H 57 8.508 8.214 0.294 1
1 612 . 5 1 1 A 57 57 ARG HA H 57 3.928 4.050 -0.122 1
1 618 . 5 1 1 A 57 57 ARG C C 57 179.282 178.890 0.392 1
1 619 . 5 1 1 A 57 57 ARG CA C 57 61.095 60.253 0.842 1
1 620 . 5 1 1 A 57 57 ARG CB C 57 30.261 30.019 0.242 1
1 623 . 5 1 1 A 57 57 ARG N N 57 118.801 119.304 -0.503 1
1 624 . 5 1 1 A 58 58 THR H H 58 8.528 8.261 0.267 1
1 625 . 5 1 1 A 58 58 THR HA H 58 4.013 4.015 -0.002 1
1 630 . 5 1 1 A 58 58 THR C C 58 175.518 176.478 -0.960 1
1 631 . 5 1 1 A 58 58 THR CA C 58 66.879 66.311 0.568 1
1 632 . 5 1 1 A 58 58 THR CB C 58 68.826 68.606 0.220 1
1 634 . 5 1 1 A 58 58 THR N N 58 117.805 116.997 0.808 1
1 635 . 5 1 1 A 59 59 TRP H H 59 7.904 7.901 0.003 1
1 636 . 5 1 1 A 59 59 TRP HA H 59 4.228 4.422 -0.194 1
1 645 . 5 1 1 A 59 59 TRP C C 59 179.015 178.430 0.585 1
1 646 . 5 1 1 A 59 59 TRP CA C 59 63.377 61.305 2.072 1
1 647 . 5 1 1 A 59 59 TRP CB C 59 28.280 29.801 -1.521 1
1 653 . 5 1 1 A 59 59 TRP N N 59 124.326 124.104 0.222 1
1 655 . 5 1 1 A 60 60 ILE H H 60 8.799 8.439 0.360 1
1 656 . 5 1 1 A 60 60 ILE HA H 60 3.461 3.554 -0.093 1
1 666 . 5 1 1 A 60 60 ILE C C 60 178.481 177.866 0.615 1
1 667 . 5 1 1 A 60 60 ILE CA C 60 65.878 65.065 0.813 1
1 668 . 5 1 1 A 60 60 ILE CB C 60 39.399 38.163 1.236 1
1 672 . 5 1 1 A 60 60 ILE N N 60 119.831 119.401 0.430 1
1 673 . 5 1 1 A 61 61 GLY H H 61 8.659 7.829 0.830 1
1 674 . 5 1 1 A 61 61 GLY HA2 H 61 3.705 3.779 -0.074 1
1 675 . 5 1 1 A 61 61 GLY HA3 H 61 4.118 3.794 0.324 1
1 676 . 5 1 1 A 61 61 GLY C C 61 176.878 176.103 0.775 1
1 677 . 5 1 1 A 61 61 GLY CA C 61 47.388 47.307 0.081 1
1 678 . 5 1 1 A 61 61 GLY N N 61 106.205 107.773 -1.568 1
1 679 . 5 1 1 A 62 62 ASN H H 62 8.408 7.738 0.670 1
1 680 . 5 1 1 A 62 62 ASN HA H 62 4.452 4.416 0.036 1
1 685 . 5 1 1 A 62 62 ASN C C 62 177.461 177.540 -0.079 1
1 686 . 5 1 1 A 62 62 ASN CA C 62 55.480 56.057 -0.577 1
1 687 . 5 1 1 A 62 62 ASN CB C 62 37.951 38.195 -0.244 1
1 688 . 5 1 1 A 62 62 ASN N N 62 120.644 120.051 0.593 1
1 690 . 5 1 1 A 63 63 ARG H H 63 7.816 7.678 0.138 1
1 691 . 5 1 1 A 63 63 ARG HA H 63 3.544 3.908 -0.364 1
1 698 . 5 1 1 A 63 63 ARG C C 63 178.189 178.519 -0.330 1
1 699 . 5 1 1 A 63 63 ARG CA C 63 59.219 59.438 -0.219 1
1 700 . 5 1 1 A 63 63 ARG CB C 63 29.077 29.891 -0.814 1
1 703 . 5 1 1 A 63 63 ARG N N 63 124.207 120.382 3.825 1
1 704 . 5 1 1 A 64 64 ARG H H 64 8.578 7.988 0.590 1
1 705 . 5 1 1 A 64 64 ARG HA H 64 4.057 4.007 0.050 1
1 712 . 5 1 1 A 64 64 ARG C C 64 179.039 178.883 0.156 1
1 713 . 5 1 1 A 64 64 ARG CA C 64 60.190 60.045 0.145 1
1 714 . 5 1 1 A 64 64 ARG CB C 64 30.579 29.979 0.600 1
1 717 . 5 1 1 A 64 64 ARG N N 64 117.839 117.805 0.034 1
1 718 . 5 1 1 A 65 65 ARG H H 65 7.712 7.699 0.013 1
1 719 . 5 1 1 A 65 65 ARG HA H 65 4.091 4.025 0.066 1
1 726 . 5 1 1 A 65 65 ARG C C 65 178.214 178.210 0.004 1
1 727 . 5 1 1 A 65 65 ARG CA C 65 59.556 59.233 0.323 1
1 728 . 5 1 1 A 65 65 ARG CB C 65 30.167 30.049 0.118 1
1 731 . 5 1 1 A 65 65 ARG N N 65 118.827 119.677 -0.850 1
1 732 . 5 1 1 A 66 66 LYS H H 66 7.848 8.434 -0.586 1
1 733 . 5 1 1 A 66 66 LYS HA H 66 3.997 3.943 0.054 1
1 741 . 5 1 1 A 66 66 LYS C C 66 178.481 179.178 -0.697 1
1 742 . 5 1 1 A 66 66 LYS CA C 66 59.110 59.818 -0.708 1
1 743 . 5 1 1 A 66 66 LYS CB C 66 32.226 32.177 0.049 1
1 747 . 5 1 1 A 66 66 LYS N N 66 120.251 117.917 2.334 1
1 748 . 5 1 1 A 67 67 TYR H H 67 8.324 8.348 -0.024 1
1 749 . 5 1 1 A 67 67 TYR HA H 67 4.274 4.312 -0.038 1
1 756 . 5 1 1 A 67 67 TYR C C 67 177.412 178.154 -0.742 1
1 757 . 5 1 1 A 67 67 TYR CA C 67 60.576 61.314 -0.738 1
1 758 . 5 1 1 A 67 67 TYR CB C 67 37.043 38.226 -1.183 1
1 763 . 5 1 1 A 67 67 TYR N N 67 118.725 118.824 -0.099 1
1 764 . 5 1 1 A 68 68 ARG H H 68 8.084 8.040 0.044 1
1 765 . 5 1 1 A 68 68 ARG HA H 68 4.218 4.103 0.115 1
1 772 . 5 1 1 A 68 68 ARG C C 68 179.209 178.631 0.578 1
1 773 . 5 1 1 A 68 68 ARG CA C 68 58.616 59.369 -0.753 1
1 774 . 5 1 1 A 68 68 ARG CB C 68 29.343 29.861 -0.518 1
1 777 . 5 1 1 A 68 68 ARG N N 68 119.763 120.018 -0.255 1
1 778 . 5 1 1 A 69 69 LEU H H 69 8.168 8.472 -0.304 1
1 779 . 5 1 1 A 69 69 LEU HA H 69 4.244 3.993 0.251 1
1 789 . 5 1 1 A 69 69 LEU C C 69 178.457 179.260 -0.803 1
1 790 . 5 1 1 A 69 69 LEU CA C 69 56.981 57.939 -0.958 1
1 791 . 5 1 1 A 69 69 LEU CB C 69 41.955 41.592 0.363 1
1 795 . 5 1 1 A 69 69 LEU N N 69 120.874 119.639 1.235 1
1 796 . 5 1 1 A 70 70 MET H H 70 7.942 7.485 0.457 1
1 797 . 5 1 1 A 70 70 MET HA H 70 4.440 4.455 -0.015 1
1 805 . 5 1 1 A 70 70 MET C C 70 176.417 176.211 0.206 1
1 806 . 5 1 1 A 70 70 MET CA C 70 55.958 56.202 -0.244 1
1 807 . 5 1 1 A 70 70 MET CB C 70 33.711 33.232 0.479 1
1 810 . 5 1 1 A 70 70 MET N N 70 117.335 117.648 -0.313 1
1 811 . 5 1 1 A 71 71 GLY H H 71 8.107 7.904 0.203 1
1 812 . 5 1 1 A 71 71 GLY HA2 H 71 3.906 4.041 -0.135 1
1 813 . 5 1 1 A 71 71 GLY HA3 H 71 4.055 4.042 0.013 1
1 814 . 5 1 1 A 71 71 GLY C C 71 174.255 174.911 -0.656 1
1 815 . 5 1 1 A 71 71 GLY CA C 71 45.852 45.411 0.441 1
1 816 . 5 1 1 A 71 71 GLY N N 71 109.096 107.092 2.004 1
1 817 . 5 1 1 A 72 72 ILE H H 72 8.036 7.384 0.652 1
1 818 . 5 1 1 A 72 72 ILE HA H 72 4.197 4.114 0.083 1
1 828 . 5 1 1 A 72 72 ILE C C 72 175.712 175.244 0.468 1
1 829 . 5 1 1 A 72 72 ILE CA C 72 60.626 60.957 -0.331 1
1 830 . 5 1 1 A 72 72 ILE CB C 72 39.203 36.530 2.673 1
1 834 . 5 1 1 A 72 72 ILE N N 72 120.615 122.427 -1.812 1
1 835 . 5 1 1 A 73 73 GLU H H 73 8.523 8.134 0.389 1
1 836 . 5 1 1 A 73 73 GLU HA H 73 4.306 4.502 -0.196 1
1 841 . 5 1 1 A 73 73 GLU C C 73 176.417 175.671 0.746 1
1 842 . 5 1 1 A 73 73 GLU CA C 73 56.551 56.545 0.006 1
1 843 . 5 1 1 A 73 73 GLU CB C 73 30.167 29.830 0.337 1
1 845 . 5 1 1 A 73 73 GLU N N 73 125.837 127.088 -1.251 1
1 846 . 5 1 1 A 74 74 VAL H H 74 8.319 8.567 -0.248 1
1 847 . 5 1 1 A 74 74 VAL HA H 74 4.187 4.875 -0.688 1
1 855 . 5 1 1 A 74 74 VAL C C 74 176.052 175.012 1.040 1
1 856 . 5 1 1 A 74 74 VAL CA C 74 62.103 59.465 2.638 1
1 857 . 5 1 1 A 74 74 VAL CB C 74 33.063 35.629 -2.566 1
1 860 . 5 1 1 A 74 74 VAL N N 74 122.642 124.502 -1.860 1
1 861 . 5 1 1 A 75 75 SER H H 75 8.460 8.739 -0.279 1
1 862 . 5 1 1 A 75 75 SER HA H 75 4.469 4.670 -0.201 1
1 865 . 5 1 1 A 75 75 SER C C 75 174.547 174.556 -0.009 1
1 866 . 5 1 1 A 75 75 SER CA C 75 58.413 58.602 -0.189 1
1 867 . 5 1 1 A 75 75 SER CB C 75 64.015 64.401 -0.386 1
1 868 . 5 1 1 A 75 75 SER N N 75 120.411 120.675 -0.264 1
1 869 . 5 1 1 A 76 76 GLY H H 76 8.307 7.750 0.557 1
1 870 . 5 1 1 A 76 76 GLY HA2 H 76 4.096 3.982 0.114 1
1 871 . 5 1 1 A 76 76 GLY C C 76 171.729 174.342 -2.613 1
1 872 . 5 1 1 A 76 76 GLY CA C 76 44.566 44.731 -0.165 1
1 873 . 5 1 1 A 76 76 GLY N N 76 110.975 108.458 2.517 1
1 874 . 5 1 1 A 77 77 PRO HA H 77 4.508 4.407 0.101 1
1 880 . 5 1 1 A 77 77 PRO CA C 77 63.054 63.805 -0.751 1
1 881 . 5 1 1 A 77 77 PRO CB C 77 32.299 31.540 0.759 1
1 884 . 5 1 1 A 79 79 SER HA H 79 4.507 4.931 -0.424 1
1 887 . 5 1 1 A 79 79 SER C C 79 173.939 174.768 -0.829 1
1 888 . 5 1 1 A 79 79 SER CA C 79 58.427 56.528 1.899 1
1 889 . 5 1 1 A 79 79 SER CB C 79 64.293 65.244 -0.951 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.969 4.174 -0.205 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.969 4.175 -0.206 1
1 3 . 6 1 1 A 7 7 GLY C C 7 173.939 172.369 1.570 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.342 45.325 0.017 1
1 5 . 6 1 1 A 8 8 ALA H H 8 8.128 8.304 -0.176 1
1 6 . 6 1 1 A 8 8 ALA HA H 8 4.329 4.346 -0.017 1
1 10 . 6 1 1 A 8 8 ALA C C 8 177.971 177.032 0.939 1
1 11 . 6 1 1 A 8 8 ALA CA C 8 52.565 52.489 0.076 1
1 12 . 6 1 1 A 8 8 ALA CB C 8 19.287 19.381 -0.094 1
1 13 . 6 1 1 A 8 8 ALA N N 8 123.703 123.175 0.528 1
1 14 . 6 1 1 A 9 9 LEU H H 9 8.240 8.677 -0.437 1
1 15 . 6 1 1 A 9 9 LEU HA H 9 4.304 4.496 -0.192 1
1 25 . 6 1 1 A 9 9 LEU C C 9 177.655 177.851 -0.196 1
1 26 . 6 1 1 A 9 9 LEU CA C 9 55.570 54.310 1.260 1
1 27 . 6 1 1 A 9 9 LEU CB C 9 42.202 42.116 0.086 1
1 31 . 6 1 1 A 9 9 LEU N N 9 121.161 121.704 -0.543 1
1 32 . 6 1 1 A 10 10 GLN H H 10 8.305 8.851 -0.546 1
1 33 . 6 1 1 A 10 10 GLN HA H 10 4.313 3.987 0.326 1
1 40 . 6 1 1 A 10 10 GLN C C 10 175.737 175.173 0.564 1
1 41 . 6 1 1 A 10 10 GLN CA C 10 56.099 59.156 -3.057 1
1 42 . 6 1 1 A 10 10 GLN CB C 10 29.425 28.989 0.436 1
1 44 . 6 1 1 A 10 10 GLN N N 10 120.538 124.508 -3.970 1
1 46 . 6 1 1 A 11 11 ASP H H 11 8.306 7.742 0.564 1
1 47 . 6 1 1 A 11 11 ASP HA H 11 4.589 5.271 -0.682 1
1 50 . 6 1 1 A 11 11 ASP C C 11 176.319 175.107 1.212 1
1 51 . 6 1 1 A 11 11 ASP CA C 11 54.583 52.441 2.142 1
1 52 . 6 1 1 A 11 11 ASP CB C 11 41.204 43.874 -2.670 1
1 53 . 6 1 1 A 11 11 ASP N N 11 121.418 114.861 6.557 1
1 54 . 6 1 1 A 12 12 ARG H H 12 8.257 8.425 -0.168 1
1 55 . 6 1 1 A 12 12 ARG HA H 12 4.408 4.860 -0.452 1
1 62 . 6 1 1 A 12 12 ARG C C 12 176.295 174.967 1.328 1
1 63 . 6 1 1 A 12 12 ARG CA C 12 56.088 54.533 1.555 1
1 64 . 6 1 1 A 12 12 ARG CB C 12 30.579 32.928 -2.349 1
1 67 . 6 1 1 A 12 12 ARG N N 12 121.271 120.264 1.007 1
1 68 . 6 1 1 A 13 13 THR H H 13 8.189 8.678 -0.489 1
1 69 . 6 1 1 A 13 13 THR HA H 13 4.193 5.011 -0.818 1
1 74 . 6 1 1 A 13 13 THR C C 13 174.121 172.074 2.047 1
1 75 . 6 1 1 A 13 13 THR CA C 13 62.448 59.763 2.685 1
1 76 . 6 1 1 A 13 13 THR CB C 13 69.697 71.683 -1.986 1
1 78 . 6 1 1 A 13 13 THR N N 13 114.810 115.496 -0.686 1
1 79 . 6 1 1 A 14 14 GLN H H 14 8.130 8.814 -0.684 1
1 80 . 6 1 1 A 14 14 GLN HA H 14 4.314 4.979 -0.665 1
1 87 . 6 1 1 A 14 14 GLN C C 14 175.275 173.961 1.314 1
1 88 . 6 1 1 A 14 14 GLN CA C 14 55.253 53.832 1.421 1
1 89 . 6 1 1 A 14 14 GLN CB C 14 29.838 32.378 -2.540 1
1 91 . 6 1 1 A 14 14 GLN N N 14 122.533 127.449 -4.916 1
1 93 . 6 1 1 A 15 15 PHE H H 15 8.151 8.821 -0.670 1
1 94 . 6 1 1 A 15 15 PHE HA H 15 5.009 5.139 -0.130 1
1 102 . 6 1 1 A 15 15 PHE C C 15 176.465 175.508 0.957 1
1 103 . 6 1 1 A 15 15 PHE CA C 15 57.157 56.796 0.361 1
1 104 . 6 1 1 A 15 15 PHE CB C 15 40.996 41.007 -0.011 1
1 110 . 6 1 1 A 15 15 PHE N N 15 120.835 122.214 -1.379 1
1 111 . 6 1 1 A 16 16 SER H H 16 9.565 8.783 0.782 1
1 112 . 6 1 1 A 16 16 SER HA H 16 4.610 4.731 -0.121 1
1 115 . 6 1 1 A 16 16 SER C C 16 174.547 175.040 -0.493 1
1 116 . 6 1 1 A 16 16 SER CA C 16 56.946 57.142 -0.196 1
1 117 . 6 1 1 A 16 16 SER CB C 16 65.545 64.557 0.988 1
1 118 . 6 1 1 A 16 16 SER N N 16 119.442 118.620 0.822 1
1 119 . 6 1 1 A 17 17 ASP H H 17 8.947 9.009 -0.062 1
1 120 . 6 1 1 A 17 17 ASP HA H 17 4.386 4.239 0.147 1
1 123 . 6 1 1 A 17 17 ASP C C 17 179.331 177.981 1.350 1
1 124 . 6 1 1 A 17 17 ASP CA C 17 58.074 57.833 0.241 1
1 125 . 6 1 1 A 17 17 ASP CB C 17 39.875 40.761 -0.886 1
1 126 . 6 1 1 A 17 17 ASP N N 17 120.645 127.383 -6.738 1
1 127 . 6 1 1 A 18 18 ARG H H 18 8.302 8.078 0.224 1
1 128 . 6 1 1 A 18 18 ARG HA H 18 4.098 4.026 0.072 1
1 135 . 6 1 1 A 18 18 ARG C C 18 178.699 178.738 -0.039 1
1 136 . 6 1 1 A 18 18 ARG CA C 18 59.203 59.190 0.013 1
1 137 . 6 1 1 A 18 18 ARG CB C 18 29.920 30.039 -0.119 1
1 140 . 6 1 1 A 18 18 ARG N N 18 121.398 119.227 2.171 1
1 141 . 6 1 1 A 19 19 ASP H H 19 7.853 8.144 -0.291 1
1 142 . 6 1 1 A 19 19 ASP HA H 19 4.151 4.305 -0.154 1
1 145 . 6 1 1 A 19 19 ASP C C 19 178.384 178.801 -0.417 1
1 146 . 6 1 1 A 19 19 ASP CA C 19 57.348 57.172 0.176 1
1 147 . 6 1 1 A 19 19 ASP CB C 19 40.392 40.626 -0.234 1
1 148 . 6 1 1 A 19 19 ASP N N 19 122.636 120.146 2.490 1
1 149 . 6 1 1 A 20 20 LEU H H 20 8.335 8.430 -0.095 1
1 150 . 6 1 1 A 20 20 LEU HA H 20 3.635 3.596 0.039 1
1 160 . 6 1 1 A 20 20 LEU C C 20 179.234 178.751 0.483 1
1 161 . 6 1 1 A 20 20 LEU CA C 20 57.587 57.779 -0.192 1
1 162 . 6 1 1 A 20 20 LEU CB C 20 41.658 41.458 0.200 1
1 166 . 6 1 1 A 20 20 LEU N N 20 118.845 119.756 -0.911 1
1 167 . 6 1 1 A 21 21 ALA H H 21 7.905 8.215 -0.310 1
1 168 . 6 1 1 A 21 21 ALA HA H 21 4.123 4.016 0.107 1
1 172 . 6 1 1 A 21 21 ALA C C 21 181.031 180.081 0.950 1
1 173 . 6 1 1 A 21 21 ALA CA C 21 55.103 55.472 -0.369 1
1 174 . 6 1 1 A 21 21 ALA CB C 21 17.709 18.595 -0.886 1
1 175 . 6 1 1 A 21 21 ALA N N 21 122.007 120.874 1.133 1
1 176 . 6 1 1 A 22 22 THR H H 22 7.886 8.137 -0.251 1
1 177 . 6 1 1 A 22 22 THR HA H 22 3.954 3.821 0.133 1
1 182 . 6 1 1 A 22 22 THR C C 22 175.834 176.304 -0.470 1
1 183 . 6 1 1 A 22 22 THR CA C 22 67.081 67.632 -0.551 1
1 184 . 6 1 1 A 22 22 THR CB C 22 68.253 68.888 -0.635 1
1 186 . 6 1 1 A 22 22 THR N N 22 119.042 113.304 5.738 1
1 187 . 6 1 1 A 23 23 LEU H H 23 8.036 8.073 -0.037 1
1 188 . 6 1 1 A 23 23 LEU HA H 23 3.404 3.768 -0.364 1
1 198 . 6 1 1 A 23 23 LEU C C 23 178.335 178.728 -0.393 1
1 199 . 6 1 1 A 23 23 LEU CA C 23 59.230 58.231 0.999 1
1 200 . 6 1 1 A 23 23 LEU CB C 23 39.399 41.252 -1.853 1
1 204 . 6 1 1 A 23 23 LEU N N 23 123.450 120.288 3.162 1
1 205 . 6 1 1 A 24 24 LYS H H 24 8.166 8.472 -0.306 1
1 206 . 6 1 1 A 24 24 LYS HA H 24 4.074 4.172 -0.098 1
1 215 . 6 1 1 A 24 24 LYS C C 24 177.631 179.280 -1.649 1
1 216 . 6 1 1 A 24 24 LYS CA C 24 60.367 60.297 0.070 1
1 217 . 6 1 1 A 24 24 LYS CB C 24 32.554 32.454 0.100 1
1 221 . 6 1 1 A 24 24 LYS N N 24 117.974 116.832 1.142 1
1 222 . 6 1 1 A 25 25 LYS H H 25 7.837 8.145 -0.308 1
1 223 . 6 1 1 A 25 25 LYS HA H 25 4.205 4.033 0.172 1
1 232 . 6 1 1 A 25 25 LYS C C 25 179.695 178.545 1.150 1
1 233 . 6 1 1 A 25 25 LYS CA C 25 59.704 59.109 0.595 1
1 234 . 6 1 1 A 25 25 LYS CB C 25 31.816 32.212 -0.396 1
1 238 . 6 1 1 A 25 25 LYS N N 25 120.567 120.667 -0.100 1
1 239 . 6 1 1 A 26 26 TYR H H 26 8.158 8.131 0.027 1
1 240 . 6 1 1 A 26 26 TYR HA H 26 4.089 4.171 -0.082 1
1 247 . 6 1 1 A 26 26 TYR C C 26 180.035 178.695 1.340 1
1 248 . 6 1 1 A 26 26 TYR CA C 26 63.104 60.441 2.663 1
1 249 . 6 1 1 A 26 26 TYR CB C 26 36.926 37.964 -1.038 1
1 254 . 6 1 1 A 26 26 TYR N N 26 118.591 117.938 0.653 1
1 255 . 6 1 1 A 27 27 TRP H H 27 9.294 8.232 1.062 1
1 256 . 6 1 1 A 27 27 TRP HA H 27 4.349 4.367 -0.018 1
1 265 . 6 1 1 A 27 27 TRP C C 27 179.209 178.459 0.750 1
1 266 . 6 1 1 A 27 27 TRP CA C 27 61.357 60.605 0.752 1
1 267 . 6 1 1 A 27 27 TRP CB C 27 28.481 29.916 -1.435 1
1 273 . 6 1 1 A 27 27 TRP N N 27 125.036 122.213 2.823 1
1 275 . 6 1 1 A 28 28 ASP H H 28 9.354 8.228 1.126 1
1 276 . 6 1 1 A 28 28 ASP HA H 28 4.479 4.647 -0.168 1
1 279 . 6 1 1 A 28 28 ASP C C 28 176.999 177.269 -0.270 1
1 280 . 6 1 1 A 28 28 ASP CA C 28 57.024 56.857 0.167 1
1 281 . 6 1 1 A 28 28 ASP CB C 28 39.894 40.767 -0.873 1
1 282 . 6 1 1 A 28 28 ASP N N 28 121.650 119.211 2.439 1
1 283 . 6 1 1 A 29 29 ASN H H 29 7.569 8.299 -0.730 1
1 284 . 6 1 1 A 29 29 ASN HA H 29 4.905 4.938 -0.033 1
1 289 . 6 1 1 A 29 29 ASN C C 29 174.935 175.293 -0.358 1
1 290 . 6 1 1 A 29 29 ASN CA C 29 52.819 52.443 0.376 1
1 291 . 6 1 1 A 29 29 ASN CB C 29 39.320 38.662 0.658 1
1 292 . 6 1 1 A 29 29 ASN N N 29 116.912 116.789 0.123 1
1 294 . 6 1 1 A 30 30 GLY H H 30 7.695 7.627 0.068 1
1 295 . 6 1 1 A 30 30 GLY HA2 H 30 3.603 3.729 -0.126 1
1 296 . 6 1 1 A 30 30 GLY HA3 H 30 4.489 3.851 0.638 1
1 297 . 6 1 1 A 30 30 GLY C C 30 174.571 174.402 0.169 1
1 298 . 6 1 1 A 30 30 GLY CA C 30 45.332 46.505 -1.173 1
1 299 . 6 1 1 A 30 30 GLY N N 30 105.356 108.059 -2.703 1
1 300 . 6 1 1 A 31 31 MET H H 31 8.574 7.876 0.698 1
1 301 . 6 1 1 A 31 31 MET HA H 31 4.769 4.411 0.358 1
1 309 . 6 1 1 A 31 31 MET C C 31 173.381 175.943 -2.562 1
1 310 . 6 1 1 A 31 31 MET CA C 31 54.301 54.115 0.186 1
1 311 . 6 1 1 A 31 31 MET CB C 31 31.899 30.872 1.027 1
1 314 . 6 1 1 A 31 31 MET N N 31 125.209 120.598 4.611 1
1 315 . 6 1 1 A 32 32 THR H H 32 7.284 7.561 -0.277 1
1 316 . 6 1 1 A 32 32 THR HA H 32 4.003 4.092 -0.089 1
1 321 . 6 1 1 A 32 32 THR C C 32 173.721 174.779 -1.058 1
1 322 . 6 1 1 A 32 32 THR CA C 32 59.873 61.917 -2.044 1
1 323 . 6 1 1 A 32 32 THR CB C 32 69.651 69.600 0.051 1
1 325 . 6 1 1 A 32 32 THR N N 32 108.409 115.745 -7.336 1
1 326 . 6 1 1 A 33 33 SER H H 33 7.809 7.584 0.225 1
1 327 . 6 1 1 A 33 33 SER HA H 33 4.614 4.323 0.291 1
1 330 . 6 1 1 A 33 33 SER C C 33 171.608 174.425 -2.817 1
1 331 . 6 1 1 A 33 33 SER CA C 33 56.764 57.619 -0.855 1
1 332 . 6 1 1 A 33 33 SER CB C 33 65.653 64.213 1.440 1
1 333 . 6 1 1 A 33 33 SER N N 33 115.742 117.351 -1.609 1
1 334 . 6 1 1 A 34 34 LEU H H 34 8.284 8.558 -0.274 1
1 335 . 6 1 1 A 34 34 LEU HA H 34 4.488 4.271 0.217 1
1 345 . 6 1 1 A 34 34 LEU C C 34 178.335 177.862 0.473 1
1 346 . 6 1 1 A 34 34 LEU CA C 34 54.583 57.239 -2.656 1
1 347 . 6 1 1 A 34 34 LEU CB C 34 41.872 42.372 -0.500 1
1 351 . 6 1 1 A 34 34 LEU N N 34 116.566 125.710 -9.144 1
1 352 . 6 1 1 A 35 35 GLY H H 35 8.159 8.082 0.077 1
1 353 . 6 1 1 A 35 35 GLY HA2 H 35 4.239 3.887 0.352 1
1 354 . 6 1 1 A 35 35 GLY HA3 H 35 3.949 3.893 0.056 1
1 355 . 6 1 1 A 35 35 GLY C C 35 175.299 175.915 -0.616 1
1 356 . 6 1 1 A 35 35 GLY CA C 35 44.707 45.592 -0.885 1
1 357 . 6 1 1 A 35 35 GLY N N 35 106.688 107.736 -1.048 1
1 358 . 6 1 1 A 36 36 SER HA H 36 4.123 4.082 0.041 1
1 360 . 6 1 1 A 36 36 SER CA C 36 61.785 60.892 0.893 1
1 361 . 6 1 1 A 36 36 SER CB C 36 62.793 62.727 0.066 1
1 362 . 6 1 1 A 37 37 VAL HA H 37 4.155 3.718 0.437 1
1 370 . 6 1 1 A 37 37 VAL C C 37 177.048 177.263 -0.215 1
1 371 . 6 1 1 A 37 37 VAL CA C 37 64.423 64.807 -0.384 1
1 372 . 6 1 1 A 37 37 VAL CB C 37 31.486 31.170 0.316 1
1 375 . 6 1 1 A 38 38 CYS H H 38 7.746 7.999 -0.253 1
1 376 . 6 1 1 A 38 38 CYS HA H 38 4.787 4.471 0.316 1
1 379 . 6 1 1 A 38 38 CYS C C 38 174.522 176.225 -1.703 1
1 380 . 6 1 1 A 38 38 CYS CA C 38 59.344 59.874 -0.530 1
1 381 . 6 1 1 A 38 38 CYS CB C 38 29.261 28.872 0.389 1
1 382 . 6 1 1 A 38 38 CYS N N 38 116.501 119.520 -3.019 1
1 383 . 6 1 1 A 39 39 ARG H H 39 7.633 7.939 -0.306 1
1 384 . 6 1 1 A 39 39 ARG HA H 39 3.847 3.921 -0.074 1
1 390 . 6 1 1 A 39 39 ARG C C 39 177.315 178.754 -1.439 1
1 391 . 6 1 1 A 39 39 ARG CA C 39 60.952 59.326 1.626 1
1 392 . 6 1 1 A 39 39 ARG CB C 39 30.332 29.964 0.368 1
1 395 . 6 1 1 A 39 39 ARG N N 39 122.520 122.678 -0.158 1
1 396 . 6 1 1 A 40 40 GLU H H 40 8.827 8.104 0.723 1
1 397 . 6 1 1 A 40 40 GLU HA H 40 4.070 3.940 0.130 1
1 402 . 6 1 1 A 40 40 GLU C C 40 179.719 179.227 0.492 1
1 403 . 6 1 1 A 40 40 GLU CA C 40 60.065 59.275 0.790 1
1 404 . 6 1 1 A 40 40 GLU CB C 40 29.094 29.067 0.027 1
1 406 . 6 1 1 A 40 40 GLU N N 40 116.909 117.604 -0.695 1
1 407 . 6 1 1 A 41 41 LYS H H 41 7.660 7.878 -0.218 1
1 408 . 6 1 1 A 41 41 LYS HA H 41 4.293 3.928 0.365 1
1 416 . 6 1 1 A 41 41 LYS C C 41 176.854 179.056 -2.202 1
1 417 . 6 1 1 A 41 41 LYS CA C 41 59.908 59.210 0.698 1
1 418 . 6 1 1 A 41 41 LYS CB C 41 33.704 32.152 1.552 1
1 422 . 6 1 1 A 41 41 LYS N N 41 120.497 119.004 1.493 1
1 423 . 6 1 1 A 42 42 ILE H H 42 8.050 7.789 0.261 1
1 424 . 6 1 1 A 42 42 ILE HA H 42 3.756 3.511 0.245 1
1 434 . 6 1 1 A 42 42 ILE C C 42 177.607 178.085 -0.478 1
1 435 . 6 1 1 A 42 42 ILE CA C 42 65.460 65.170 0.290 1
1 436 . 6 1 1 A 42 42 ILE CB C 42 38.516 37.737 0.779 1
1 440 . 6 1 1 A 42 42 ILE N N 42 119.276 120.325 -1.049 1
1 441 . 6 1 1 A 43 43 GLU H H 43 8.142 8.398 -0.256 1
1 442 . 6 1 1 A 43 43 GLU HA H 43 4.011 4.061 -0.050 1
1 447 . 6 1 1 A 43 43 GLU C C 43 179.477 177.913 1.564 1
1 448 . 6 1 1 A 43 43 GLU CA C 43 59.340 58.535 0.805 1
1 449 . 6 1 1 A 43 43 GLU CB C 43 29.425 29.379 0.046 1
1 451 . 6 1 1 A 43 43 GLU N N 43 116.432 119.807 -3.375 1
1 452 . 6 1 1 A 44 44 ALA H H 44 8.053 7.844 0.209 1
1 453 . 6 1 1 A 44 44 ALA HA H 44 4.217 4.322 -0.105 1
1 457 . 6 1 1 A 44 44 ALA C C 44 180.958 179.001 1.957 1
1 458 . 6 1 1 A 44 44 ALA CA C 44 55.453 54.061 1.392 1
1 459 . 6 1 1 A 44 44 ALA CB C 44 18.553 19.689 -1.136 1
1 460 . 6 1 1 A 44 44 ALA N N 44 122.819 122.505 0.314 1
1 461 . 6 1 1 A 45 45 VAL H H 45 8.400 7.764 0.636 1
1 462 . 6 1 1 A 45 45 VAL HA H 45 3.530 3.766 -0.236 1
1 470 . 6 1 1 A 45 45 VAL C C 45 176.465 176.898 -0.433 1
1 471 . 6 1 1 A 45 45 VAL CA C 45 65.075 64.539 0.536 1
1 472 . 6 1 1 A 45 45 VAL CB C 45 29.673 31.132 -1.459 1
1 475 . 6 1 1 A 45 45 VAL N N 45 120.862 116.887 3.975 1
1 476 . 6 1 1 A 46 46 ALA H H 46 8.225 7.873 0.352 1
1 477 . 6 1 1 A 46 46 ALA HA H 46 3.787 4.132 -0.345 1
1 481 . 6 1 1 A 46 46 ALA C C 46 180.205 179.839 0.366 1
1 482 . 6 1 1 A 46 46 ALA CA C 46 55.753 55.045 0.708 1
1 483 . 6 1 1 A 46 46 ALA CB C 46 18.516 18.507 0.009 1
1 484 . 6 1 1 A 46 46 ALA N N 46 125.827 123.685 2.142 1
1 485 . 6 1 1 A 47 47 THR H H 47 7.850 7.616 0.234 1
1 486 . 6 1 1 A 47 47 THR HA H 47 4.084 4.052 0.032 1
1 491 . 6 1 1 A 47 47 THR C C 47 177.339 176.359 0.980 1
1 492 . 6 1 1 A 47 47 THR CA C 47 66.492 64.653 1.839 1
1 493 . 6 1 1 A 47 47 THR CB C 47 68.772 69.010 -0.238 1
1 495 . 6 1 1 A 47 47 THR N N 47 113.467 112.666 0.801 1
1 496 . 6 1 1 A 48 48 GLU H H 48 8.050 8.265 -0.215 1
1 497 . 6 1 1 A 48 48 GLU HA H 48 4.001 4.077 -0.076 1
1 502 . 6 1 1 A 48 48 GLU C C 48 178.457 178.344 0.113 1
1 503 . 6 1 1 A 48 48 GLU CA C 48 60.174 58.643 1.531 1
1 504 . 6 1 1 A 48 48 GLU CB C 48 29.719 29.582 0.137 1
1 506 . 6 1 1 A 48 48 GLU N N 48 123.295 120.940 2.355 1
1 507 . 6 1 1 A 49 49 LEU H H 49 8.198 7.510 0.688 1
1 508 . 6 1 1 A 49 49 LEU HA H 49 4.215 4.285 -0.070 1
1 518 . 6 1 1 A 49 49 LEU C C 49 176.344 175.934 0.410 1
1 519 . 6 1 1 A 49 49 LEU CA C 49 55.050 54.864 0.186 1
1 520 . 6 1 1 A 49 49 LEU CB C 49 42.861 42.027 0.834 1
1 524 . 6 1 1 A 49 49 LEU N N 49 115.963 118.064 -2.101 1
1 525 . 6 1 1 A 50 50 ASN H H 50 8.008 8.042 -0.034 1
1 526 . 6 1 1 A 50 50 ASN HA H 50 4.411 4.273 0.138 1
1 531 . 6 1 1 A 50 50 ASN C C 50 174.522 173.936 0.586 1
1 532 . 6 1 1 A 50 50 ASN CA C 50 54.159 54.551 -0.392 1
1 533 . 6 1 1 A 50 50 ASN CB C 50 37.446 36.731 0.715 1
1 534 . 6 1 1 A 50 50 ASN N N 50 118.398 115.557 2.841 1
1 536 . 6 1 1 A 51 51 VAL H H 51 8.240 7.534 0.706 1
1 537 . 6 1 1 A 51 51 VAL HA H 51 4.792 4.813 -0.021 1
1 545 . 6 1 1 A 51 51 VAL C C 51 174.619 174.292 0.327 1
1 546 . 6 1 1 A 51 51 VAL CA C 51 58.674 58.688 -0.014 1
1 547 . 6 1 1 A 51 51 VAL CB C 51 36.102 35.523 0.579 1
1 550 . 6 1 1 A 51 51 VAL N N 51 110.142 111.249 -1.107 1
1 551 . 6 1 1 A 52 52 ASP H H 52 8.164 8.842 -0.678 1
1 552 . 6 1 1 A 52 52 ASP HA H 52 4.597 4.693 -0.096 1
1 555 . 6 1 1 A 52 52 ASP C C 52 178.262 176.621 1.641 1
1 556 . 6 1 1 A 52 52 ASP CA C 52 54.423 54.677 -0.254 1
1 557 . 6 1 1 A 52 52 ASP CB C 52 43.200 41.130 2.070 1
1 558 . 6 1 1 A 52 52 ASP N N 52 120.019 121.394 -1.375 1
1 559 . 6 1 1 A 53 53 CYS H H 53 8.967 8.871 0.096 1
1 560 . 6 1 1 A 53 53 CYS HA H 53 3.862 4.027 -0.165 1
1 563 . 6 1 1 A 53 53 CYS C C 53 176.975 176.885 0.090 1
1 564 . 6 1 1 A 53 53 CYS CA C 53 63.438 62.635 0.803 1
1 565 . 6 1 1 A 53 53 CYS CB C 53 27.358 27.014 0.344 1
1 566 . 6 1 1 A 53 53 CYS N N 53 122.121 123.893 -1.772 1
1 567 . 6 1 1 A 54 54 GLU H H 54 9.357 8.402 0.955 1
1 568 . 6 1 1 A 54 54 GLU HA H 54 4.083 4.083 0.000 1
1 573 . 6 1 1 A 54 54 GLU C C 54 179.064 179.429 -0.365 1
1 574 . 6 1 1 A 54 54 GLU CA C 54 59.626 59.588 0.038 1
1 575 . 6 1 1 A 54 54 GLU CB C 54 29.178 29.437 -0.259 1
1 577 . 6 1 1 A 54 54 GLU N N 54 120.121 120.761 -0.640 1
1 578 . 6 1 1 A 55 55 ILE H H 55 7.650 8.354 -0.704 1
1 579 . 6 1 1 A 55 55 ILE HA H 55 4.005 3.781 0.224 1
1 589 . 6 1 1 A 55 55 ILE C C 55 179.331 178.750 0.581 1
1 590 . 6 1 1 A 55 55 ILE CA C 55 63.558 65.255 -1.697 1
1 591 . 6 1 1 A 55 55 ILE CB C 55 36.988 38.042 -1.054 1
1 595 . 6 1 1 A 55 55 ILE N N 55 119.061 119.730 -0.669 1
1 596 . 6 1 1 A 56 56 VAL H H 56 6.973 8.238 -1.265 1
1 597 . 6 1 1 A 56 56 VAL HA H 56 3.651 3.700 -0.049 1
1 605 . 6 1 1 A 56 56 VAL C C 56 177.874 178.187 -0.313 1
1 606 . 6 1 1 A 56 56 VAL CA C 56 66.847 66.636 0.211 1
1 607 . 6 1 1 A 56 56 VAL CB C 56 31.486 31.811 -0.325 1
1 610 . 6 1 1 A 56 56 VAL N N 56 121.206 120.622 0.584 1
1 611 . 6 1 1 A 57 57 ARG H H 57 8.508 8.458 0.050 1
1 612 . 6 1 1 A 57 57 ARG HA H 57 3.928 4.105 -0.177 1
1 618 . 6 1 1 A 57 57 ARG C C 57 179.282 179.160 0.122 1
1 619 . 6 1 1 A 57 57 ARG CA C 57 61.095 60.072 1.023 1
1 620 . 6 1 1 A 57 57 ARG CB C 57 30.261 30.060 0.201 1
1 623 . 6 1 1 A 57 57 ARG N N 57 118.801 119.256 -0.455 1
1 624 . 6 1 1 A 58 58 THR H H 58 8.528 8.172 0.356 1
1 625 . 6 1 1 A 58 58 THR HA H 58 4.013 4.024 -0.011 1
1 630 . 6 1 1 A 58 58 THR C C 58 175.518 176.247 -0.729 1
1 631 . 6 1 1 A 58 58 THR CA C 58 66.879 66.442 0.437 1
1 632 . 6 1 1 A 58 58 THR CB C 58 68.826 68.389 0.437 1
1 634 . 6 1 1 A 58 58 THR N N 58 117.805 117.969 -0.164 1
1 635 . 6 1 1 A 59 59 TRP H H 59 7.904 7.936 -0.032 1
1 636 . 6 1 1 A 59 59 TRP HA H 59 4.228 4.427 -0.199 1
1 645 . 6 1 1 A 59 59 TRP C C 59 179.015 178.544 0.471 1
1 646 . 6 1 1 A 59 59 TRP CA C 59 63.377 61.449 1.928 1
1 647 . 6 1 1 A 59 59 TRP CB C 59 28.280 29.673 -1.393 1
1 653 . 6 1 1 A 59 59 TRP N N 59 124.326 124.355 -0.029 1
1 655 . 6 1 1 A 60 60 ILE H H 60 8.799 8.348 0.451 1
1 656 . 6 1 1 A 60 60 ILE HA H 60 3.461 3.614 -0.153 1
1 666 . 6 1 1 A 60 60 ILE C C 60 178.481 177.901 0.580 1
1 667 . 6 1 1 A 60 60 ILE CA C 60 65.878 65.172 0.706 1
1 668 . 6 1 1 A 60 60 ILE CB C 60 39.399 38.224 1.175 1
1 672 . 6 1 1 A 60 60 ILE N N 60 119.831 119.522 0.309 1
1 673 . 6 1 1 A 61 61 GLY H H 61 8.659 7.879 0.780 1
1 674 . 6 1 1 A 61 61 GLY HA2 H 61 3.705 3.791 -0.086 1
1 675 . 6 1 1 A 61 61 GLY HA3 H 61 4.118 3.793 0.325 1
1 676 . 6 1 1 A 61 61 GLY C C 61 176.878 175.972 0.906 1
1 677 . 6 1 1 A 61 61 GLY CA C 61 47.388 47.357 0.031 1
1 678 . 6 1 1 A 61 61 GLY N N 61 106.205 107.864 -1.659 1
1 679 . 6 1 1 A 62 62 ASN H H 62 8.408 7.870 0.538 1
1 680 . 6 1 1 A 62 62 ASN HA H 62 4.452 4.387 0.065 1
1 685 . 6 1 1 A 62 62 ASN C C 62 177.461 177.671 -0.210 1
1 686 . 6 1 1 A 62 62 ASN CA C 62 55.480 55.909 -0.429 1
1 687 . 6 1 1 A 62 62 ASN CB C 62 37.951 37.886 0.065 1
1 688 . 6 1 1 A 62 62 ASN N N 62 120.644 119.692 0.952 1
1 690 . 6 1 1 A 63 63 ARG H H 63 7.816 7.891 -0.075 1
1 691 . 6 1 1 A 63 63 ARG HA H 63 3.544 3.737 -0.193 1
1 698 . 6 1 1 A 63 63 ARG C C 63 178.189 178.173 0.016 1
1 699 . 6 1 1 A 63 63 ARG CA C 63 59.219 59.540 -0.321 1
1 700 . 6 1 1 A 63 63 ARG CB C 63 29.077 29.625 -0.548 1
1 703 . 6 1 1 A 63 63 ARG N N 63 124.207 120.286 3.921 1
1 704 . 6 1 1 A 64 64 ARG H H 64 8.578 8.247 0.331 1
1 705 . 6 1 1 A 64 64 ARG HA H 64 4.057 4.220 -0.163 1
1 712 . 6 1 1 A 64 64 ARG C C 64 179.039 178.801 0.238 1
1 713 . 6 1 1 A 64 64 ARG CA C 64 60.190 60.209 -0.019 1
1 714 . 6 1 1 A 64 64 ARG CB C 64 30.579 30.132 0.447 1
1 717 . 6 1 1 A 64 64 ARG N N 64 117.839 118.008 -0.169 1
1 718 . 6 1 1 A 65 65 ARG H H 65 7.712 7.577 0.135 1
1 719 . 6 1 1 A 65 65 ARG HA H 65 4.091 4.035 0.056 1
1 726 . 6 1 1 A 65 65 ARG C C 65 178.214 178.321 -0.107 1
1 727 . 6 1 1 A 65 65 ARG CA C 65 59.556 59.204 0.352 1
1 728 . 6 1 1 A 65 65 ARG CB C 65 30.167 29.992 0.175 1
1 731 . 6 1 1 A 65 65 ARG N N 65 118.827 120.019 -1.192 1
1 732 . 6 1 1 A 66 66 LYS H H 66 7.848 7.524 0.324 1
1 733 . 6 1 1 A 66 66 LYS HA H 66 3.997 3.954 0.043 1
1 741 . 6 1 1 A 66 66 LYS C C 66 178.481 178.474 0.007 1
1 742 . 6 1 1 A 66 66 LYS CA C 66 59.110 59.255 -0.145 1
1 743 . 6 1 1 A 66 66 LYS CB C 66 32.226 32.100 0.126 1
1 747 . 6 1 1 A 66 66 LYS N N 66 120.251 119.169 1.082 1
1 748 . 6 1 1 A 67 67 TYR H H 67 8.324 7.596 0.728 1
1 749 . 6 1 1 A 67 67 TYR HA H 67 4.274 4.276 -0.002 1
1 756 . 6 1 1 A 67 67 TYR C C 67 177.412 178.405 -0.993 1
1 757 . 6 1 1 A 67 67 TYR CA C 67 60.576 60.972 -0.396 1
1 758 . 6 1 1 A 67 67 TYR CB C 67 37.043 37.849 -0.806 1
1 763 . 6 1 1 A 67 67 TYR N N 67 118.725 118.874 -0.149 1
1 764 . 6 1 1 A 68 68 ARG H H 68 8.084 8.339 -0.255 1
1 765 . 6 1 1 A 68 68 ARG HA H 68 4.218 4.251 -0.033 1
1 772 . 6 1 1 A 68 68 ARG C C 68 179.209 178.545 0.664 1
1 773 . 6 1 1 A 68 68 ARG CA C 68 58.616 59.633 -1.017 1
1 774 . 6 1 1 A 68 68 ARG CB C 68 29.343 30.245 -0.902 1
1 777 . 6 1 1 A 68 68 ARG N N 68 119.763 119.830 -0.067 1
1 778 . 6 1 1 A 69 69 LEU H H 69 8.168 8.550 -0.382 1
1 779 . 6 1 1 A 69 69 LEU HA H 69 4.244 4.013 0.231 1
1 789 . 6 1 1 A 69 69 LEU C C 69 178.457 179.482 -1.025 1
1 790 . 6 1 1 A 69 69 LEU CA C 69 56.981 57.934 -0.953 1
1 791 . 6 1 1 A 69 69 LEU CB C 69 41.955 41.659 0.296 1
1 795 . 6 1 1 A 69 69 LEU N N 69 120.874 119.883 0.991 1
1 796 . 6 1 1 A 70 70 MET H H 70 7.942 7.311 0.631 1
1 797 . 6 1 1 A 70 70 MET HA H 70 4.440 4.481 -0.041 1
1 805 . 6 1 1 A 70 70 MET C C 70 176.417 176.257 0.160 1
1 806 . 6 1 1 A 70 70 MET CA C 70 55.958 55.703 0.255 1
1 807 . 6 1 1 A 70 70 MET CB C 70 33.711 33.206 0.505 1
1 810 . 6 1 1 A 70 70 MET N N 70 117.335 116.022 1.313 1
1 811 . 6 1 1 A 71 71 GLY H H 71 8.107 8.556 -0.449 1
1 812 . 6 1 1 A 71 71 GLY HA2 H 71 3.906 4.055 -0.149 1
1 813 . 6 1 1 A 71 71 GLY HA3 H 71 4.055 4.058 -0.003 1
1 814 . 6 1 1 A 71 71 GLY C C 71 174.255 174.202 0.053 1
1 815 . 6 1 1 A 71 71 GLY CA C 71 45.852 45.349 0.503 1
1 816 . 6 1 1 A 71 71 GLY N N 71 109.096 106.986 2.110 1
1 817 . 6 1 1 A 72 72 ILE H H 72 8.036 7.841 0.195 1
1 818 . 6 1 1 A 72 72 ILE HA H 72 4.197 4.489 -0.292 1
1 828 . 6 1 1 A 72 72 ILE C C 72 175.712 175.117 0.595 1
1 829 . 6 1 1 A 72 72 ILE CA C 72 60.626 59.874 0.752 1
1 830 . 6 1 1 A 72 72 ILE CB C 72 39.203 40.634 -1.431 1
1 834 . 6 1 1 A 72 72 ILE N N 72 120.615 120.536 0.079 1
1 835 . 6 1 1 A 73 73 GLU H H 73 8.523 8.813 -0.290 1
1 836 . 6 1 1 A 73 73 GLU HA H 73 4.306 4.550 -0.244 1
1 841 . 6 1 1 A 73 73 GLU C C 73 176.417 174.965 1.452 1
1 842 . 6 1 1 A 73 73 GLU CA C 73 56.551 55.611 0.940 1
1 843 . 6 1 1 A 73 73 GLU CB C 73 30.167 28.903 1.264 1
1 845 . 6 1 1 A 73 73 GLU N N 73 125.837 127.487 -1.650 1
1 846 . 6 1 1 A 74 74 VAL H H 74 8.319 8.259 0.060 1
1 847 . 6 1 1 A 74 74 VAL HA H 74 4.187 4.282 -0.095 1
1 855 . 6 1 1 A 74 74 VAL C C 74 176.052 176.593 -0.541 1
1 856 . 6 1 1 A 74 74 VAL CA C 74 62.103 61.409 0.694 1
1 857 . 6 1 1 A 74 74 VAL CB C 74 33.063 31.347 1.716 1
1 860 . 6 1 1 A 74 74 VAL N N 74 122.642 124.742 -2.100 1
1 861 . 6 1 1 A 75 75 SER H H 75 8.460 8.210 0.250 1
1 862 . 6 1 1 A 75 75 SER HA H 75 4.469 4.161 0.308 1
1 865 . 6 1 1 A 75 75 SER C C 75 174.547 175.265 -0.718 1
1 866 . 6 1 1 A 75 75 SER CA C 75 58.413 61.755 -3.342 1
1 867 . 6 1 1 A 75 75 SER CB C 75 64.015 63.475 0.540 1
1 868 . 6 1 1 A 75 75 SER N N 75 120.411 120.478 -0.067 1
1 869 . 6 1 1 A 76 76 GLY H H 76 8.307 7.579 0.728 1
1 870 . 6 1 1 A 76 76 GLY HA2 H 76 4.096 4.020 0.076 1
1 871 . 6 1 1 A 76 76 GLY C C 76 171.729 174.118 -2.389 1
1 872 . 6 1 1 A 76 76 GLY CA C 76 44.566 45.297 -0.731 1
1 873 . 6 1 1 A 76 76 GLY N N 76 110.975 105.381 5.594 1
1 874 . 6 1 1 A 77 77 PRO HA H 77 4.508 4.645 -0.137 1
1 880 . 6 1 1 A 77 77 PRO CA C 77 63.054 62.532 0.522 1
1 881 . 6 1 1 A 77 77 PRO CB C 77 32.299 33.480 -1.181 1
1 884 . 6 1 1 A 79 79 SER HA H 79 4.507 4.231 0.276 1
1 887 . 6 1 1 A 79 79 SER C C 79 173.939 175.018 -1.079 1
1 888 . 6 1 1 A 79 79 SER CA C 79 58.427 59.877 -1.450 1
1 889 . 6 1 1 A 79 79 SER CB C 79 64.293 62.654 1.639 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.969 3.908 0.061 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.969 3.908 0.061 1
1 3 . 7 1 1 A 7 7 GLY C C 7 173.939 174.925 -0.986 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.342 47.000 -1.658 1
1 5 . 7 1 1 A 8 8 ALA H H 8 8.128 8.219 -0.091 1
1 6 . 7 1 1 A 8 8 ALA HA H 8 4.329 4.442 -0.113 1
1 10 . 7 1 1 A 8 8 ALA C C 8 177.971 176.359 1.612 1
1 11 . 7 1 1 A 8 8 ALA CA C 8 52.565 51.285 1.280 1
1 12 . 7 1 1 A 8 8 ALA CB C 8 19.287 17.583 1.704 1
1 13 . 7 1 1 A 8 8 ALA N N 8 123.703 122.080 1.623 1
1 14 . 7 1 1 A 9 9 LEU H H 9 8.240 7.738 0.502 1
1 15 . 7 1 1 A 9 9 LEU HA H 9 4.304 4.967 -0.663 1
1 25 . 7 1 1 A 9 9 LEU C C 9 177.655 175.038 2.617 1
1 26 . 7 1 1 A 9 9 LEU CA C 9 55.570 53.545 2.025 1
1 27 . 7 1 1 A 9 9 LEU CB C 9 42.202 45.640 -3.438 1
1 31 . 7 1 1 A 9 9 LEU N N 9 121.161 122.192 -1.031 1
1 32 . 7 1 1 A 10 10 GLN H H 10 8.305 9.127 -0.822 1
1 33 . 7 1 1 A 10 10 GLN HA H 10 4.313 4.810 -0.497 1
1 40 . 7 1 1 A 10 10 GLN C C 10 175.737 175.810 -0.073 1
1 41 . 7 1 1 A 10 10 GLN CA C 10 56.099 54.462 1.637 1
1 42 . 7 1 1 A 10 10 GLN CB C 10 29.425 30.476 -1.051 1
1 44 . 7 1 1 A 10 10 GLN N N 10 120.538 125.113 -4.575 1
1 46 . 7 1 1 A 11 11 ASP H H 11 8.306 8.496 -0.190 1
1 47 . 7 1 1 A 11 11 ASP HA H 11 4.589 4.926 -0.337 1
1 50 . 7 1 1 A 11 11 ASP C C 11 176.319 176.844 -0.525 1
1 51 . 7 1 1 A 11 11 ASP CA C 11 54.583 52.846 1.737 1
1 52 . 7 1 1 A 11 11 ASP CB C 11 41.204 40.330 0.874 1
1 53 . 7 1 1 A 11 11 ASP N N 11 121.418 123.013 -1.595 1
1 54 . 7 1 1 A 12 12 ARG H H 12 8.257 7.986 0.271 1
1 55 . 7 1 1 A 12 12 ARG HA H 12 4.408 3.819 0.589 1
1 62 . 7 1 1 A 12 12 ARG C C 12 176.295 178.308 -2.013 1
1 63 . 7 1 1 A 12 12 ARG CA C 12 56.088 58.422 -2.334 1
1 64 . 7 1 1 A 12 12 ARG CB C 12 30.579 29.406 1.173 1
1 67 . 7 1 1 A 12 12 ARG N N 12 121.271 119.954 1.317 1
1 68 . 7 1 1 A 13 13 THR H H 13 8.189 8.044 0.145 1
1 69 . 7 1 1 A 13 13 THR HA H 13 4.193 3.957 0.236 1
1 74 . 7 1 1 A 13 13 THR C C 13 174.121 173.757 0.364 1
1 75 . 7 1 1 A 13 13 THR CA C 13 62.448 65.270 -2.822 1
1 76 . 7 1 1 A 13 13 THR CB C 13 69.697 69.165 0.532 1
1 78 . 7 1 1 A 13 13 THR N N 13 114.810 114.962 -0.152 1
1 79 . 7 1 1 A 14 14 GLN H H 14 8.130 7.547 0.583 1
1 80 . 7 1 1 A 14 14 GLN HA H 14 4.314 4.863 -0.549 1
1 87 . 7 1 1 A 14 14 GLN C C 14 175.275 173.848 1.427 1
1 88 . 7 1 1 A 14 14 GLN CA C 14 55.253 54.167 1.086 1
1 89 . 7 1 1 A 14 14 GLN CB C 14 29.838 32.197 -2.359 1
1 91 . 7 1 1 A 14 14 GLN N N 14 122.533 119.302 3.231 1
1 93 . 7 1 1 A 15 15 PHE H H 15 8.151 8.997 -0.846 1
1 94 . 7 1 1 A 15 15 PHE HA H 15 5.009 4.965 0.044 1
1 102 . 7 1 1 A 15 15 PHE C C 15 176.465 175.386 1.079 1
1 103 . 7 1 1 A 15 15 PHE CA C 15 57.157 56.225 0.932 1
1 104 . 7 1 1 A 15 15 PHE CB C 15 40.996 41.844 -0.848 1
1 110 . 7 1 1 A 15 15 PHE N N 15 120.835 122.678 -1.843 1
1 111 . 7 1 1 A 16 16 SER H H 16 9.565 8.283 1.282 1
1 112 . 7 1 1 A 16 16 SER HA H 16 4.610 4.603 0.007 1
1 115 . 7 1 1 A 16 16 SER C C 16 174.547 175.212 -0.665 1
1 116 . 7 1 1 A 16 16 SER CA C 16 56.946 58.007 -1.061 1
1 117 . 7 1 1 A 16 16 SER CB C 16 65.545 63.979 1.566 1
1 118 . 7 1 1 A 16 16 SER N N 16 119.442 117.635 1.807 1
1 119 . 7 1 1 A 17 17 ASP H H 17 8.947 9.118 -0.171 1
1 120 . 7 1 1 A 17 17 ASP HA H 17 4.386 4.309 0.077 1
1 123 . 7 1 1 A 17 17 ASP C C 17 179.331 178.352 0.979 1
1 124 . 7 1 1 A 17 17 ASP CA C 17 58.074 56.944 1.130 1
1 125 . 7 1 1 A 17 17 ASP CB C 17 39.875 40.042 -0.167 1
1 126 . 7 1 1 A 17 17 ASP N N 17 120.645 127.057 -6.412 1
1 127 . 7 1 1 A 18 18 ARG H H 18 8.302 8.039 0.263 1
1 128 . 7 1 1 A 18 18 ARG HA H 18 4.098 4.136 -0.038 1
1 135 . 7 1 1 A 18 18 ARG C C 18 178.699 178.745 -0.046 1
1 136 . 7 1 1 A 18 18 ARG CA C 18 59.203 59.430 -0.227 1
1 137 . 7 1 1 A 18 18 ARG CB C 18 29.920 30.257 -0.337 1
1 140 . 7 1 1 A 18 18 ARG N N 18 121.398 119.709 1.689 1
1 141 . 7 1 1 A 19 19 ASP H H 19 7.853 8.137 -0.284 1
1 142 . 7 1 1 A 19 19 ASP HA H 19 4.151 4.299 -0.148 1
1 145 . 7 1 1 A 19 19 ASP C C 19 178.384 178.693 -0.309 1
1 146 . 7 1 1 A 19 19 ASP CA C 19 57.348 57.250 0.098 1
1 147 . 7 1 1 A 19 19 ASP CB C 19 40.392 40.917 -0.525 1
1 148 . 7 1 1 A 19 19 ASP N N 19 122.636 120.214 2.422 1
1 149 . 7 1 1 A 20 20 LEU H H 20 8.335 8.418 -0.083 1
1 150 . 7 1 1 A 20 20 LEU HA H 20 3.635 3.670 -0.035 1
1 160 . 7 1 1 A 20 20 LEU C C 20 179.234 178.874 0.360 1
1 161 . 7 1 1 A 20 20 LEU CA C 20 57.587 57.964 -0.377 1
1 162 . 7 1 1 A 20 20 LEU CB C 20 41.658 41.598 0.060 1
1 166 . 7 1 1 A 20 20 LEU N N 20 118.845 119.743 -0.898 1
1 167 . 7 1 1 A 21 21 ALA H H 21 7.905 8.032 -0.127 1
1 168 . 7 1 1 A 21 21 ALA HA H 21 4.123 4.069 0.054 1
1 172 . 7 1 1 A 21 21 ALA C C 21 181.031 179.841 1.190 1
1 173 . 7 1 1 A 21 21 ALA CA C 21 55.103 55.447 -0.344 1
1 174 . 7 1 1 A 21 21 ALA CB C 21 17.709 18.528 -0.819 1
1 175 . 7 1 1 A 21 21 ALA N N 21 122.007 120.194 1.813 1
1 176 . 7 1 1 A 22 22 THR H H 22 7.886 7.832 0.054 1
1 177 . 7 1 1 A 22 22 THR HA H 22 3.954 3.917 0.037 1
1 182 . 7 1 1 A 22 22 THR C C 22 175.834 176.203 -0.369 1
1 183 . 7 1 1 A 22 22 THR CA C 22 67.081 67.296 -0.215 1
1 184 . 7 1 1 A 22 22 THR CB C 22 68.253 68.460 -0.207 1
1 186 . 7 1 1 A 22 22 THR N N 22 119.042 114.148 4.894 1
1 187 . 7 1 1 A 23 23 LEU H H 23 8.036 7.869 0.167 1
1 188 . 7 1 1 A 23 23 LEU HA H 23 3.404 3.704 -0.300 1
1 198 . 7 1 1 A 23 23 LEU C C 23 178.335 179.064 -0.729 1
1 199 . 7 1 1 A 23 23 LEU CA C 23 59.230 58.117 1.113 1
1 200 . 7 1 1 A 23 23 LEU CB C 23 39.399 41.095 -1.696 1
1 204 . 7 1 1 A 23 23 LEU N N 23 123.450 120.296 3.154 1
1 205 . 7 1 1 A 24 24 LYS H H 24 8.166 8.373 -0.207 1
1 206 . 7 1 1 A 24 24 LYS HA H 24 4.074 4.010 0.064 1
1 215 . 7 1 1 A 24 24 LYS C C 24 177.631 179.031 -1.400 1
1 216 . 7 1 1 A 24 24 LYS CA C 24 60.367 60.552 -0.185 1
1 217 . 7 1 1 A 24 24 LYS CB C 24 32.554 32.318 0.236 1
1 221 . 7 1 1 A 24 24 LYS N N 24 117.974 117.168 0.806 1
1 222 . 7 1 1 A 25 25 LYS H H 25 7.837 7.907 -0.070 1
1 223 . 7 1 1 A 25 25 LYS HA H 25 4.205 4.011 0.194 1
1 232 . 7 1 1 A 25 25 LYS C C 25 179.695 178.530 1.165 1
1 233 . 7 1 1 A 25 25 LYS CA C 25 59.704 59.272 0.432 1
1 234 . 7 1 1 A 25 25 LYS CB C 25 31.816 32.195 -0.379 1
1 238 . 7 1 1 A 25 25 LYS N N 25 120.567 120.444 0.123 1
1 239 . 7 1 1 A 26 26 TYR H H 26 8.158 7.917 0.241 1
1 240 . 7 1 1 A 26 26 TYR HA H 26 4.089 4.225 -0.136 1
1 247 . 7 1 1 A 26 26 TYR C C 26 180.035 178.764 1.271 1
1 248 . 7 1 1 A 26 26 TYR CA C 26 63.104 60.455 2.649 1
1 249 . 7 1 1 A 26 26 TYR CB C 26 36.926 38.141 -1.215 1
1 254 . 7 1 1 A 26 26 TYR N N 26 118.591 118.193 0.398 1
1 255 . 7 1 1 A 27 27 TRP H H 27 9.294 8.319 0.975 1
1 256 . 7 1 1 A 27 27 TRP HA H 27 4.349 4.428 -0.079 1
1 265 . 7 1 1 A 27 27 TRP C C 27 179.209 178.644 0.565 1
1 266 . 7 1 1 A 27 27 TRP CA C 27 61.357 60.810 0.547 1
1 267 . 7 1 1 A 27 27 TRP CB C 27 28.481 29.990 -1.509 1
1 273 . 7 1 1 A 27 27 TRP N N 27 125.036 122.396 2.640 1
1 275 . 7 1 1 A 28 28 ASP H H 28 9.354 8.221 1.133 1
1 276 . 7 1 1 A 28 28 ASP HA H 28 4.479 4.669 -0.190 1
1 279 . 7 1 1 A 28 28 ASP C C 28 176.999 177.414 -0.415 1
1 280 . 7 1 1 A 28 28 ASP CA C 28 57.024 57.130 -0.106 1
1 281 . 7 1 1 A 28 28 ASP CB C 28 39.894 41.346 -1.452 1
1 282 . 7 1 1 A 28 28 ASP N N 28 121.650 119.281 2.369 1
1 283 . 7 1 1 A 29 29 ASN H H 29 7.569 8.259 -0.690 1
1 284 . 7 1 1 A 29 29 ASN HA H 29 4.905 4.920 -0.015 1
1 289 . 7 1 1 A 29 29 ASN C C 29 174.935 175.289 -0.354 1
1 290 . 7 1 1 A 29 29 ASN CA C 29 52.819 52.449 0.370 1
1 291 . 7 1 1 A 29 29 ASN CB C 29 39.320 38.685 0.635 1
1 292 . 7 1 1 A 29 29 ASN N N 29 116.912 116.305 0.607 1
1 294 . 7 1 1 A 30 30 GLY H H 30 7.695 7.782 -0.087 1
1 295 . 7 1 1 A 30 30 GLY HA2 H 30 3.603 3.712 -0.109 1
1 296 . 7 1 1 A 30 30 GLY HA3 H 30 4.489 3.829 0.660 1
1 297 . 7 1 1 A 30 30 GLY C C 30 174.571 175.071 -0.500 1
1 298 . 7 1 1 A 30 30 GLY CA C 30 45.332 46.463 -1.131 1
1 299 . 7 1 1 A 30 30 GLY N N 30 105.356 107.995 -2.639 1
1 300 . 7 1 1 A 31 31 MET H H 31 8.574 7.906 0.668 1
1 301 . 7 1 1 A 31 31 MET HA H 31 4.769 4.079 0.690 1
1 309 . 7 1 1 A 31 31 MET C C 31 173.381 177.862 -4.481 1
1 310 . 7 1 1 A 31 31 MET CA C 31 54.301 58.294 -3.993 1
1 311 . 7 1 1 A 31 31 MET CB C 31 31.899 32.034 -0.135 1
1 314 . 7 1 1 A 31 31 MET N N 31 125.209 121.451 3.758 1
1 315 . 7 1 1 A 32 32 THR H H 32 7.284 7.561 -0.277 1
1 316 . 7 1 1 A 32 32 THR HA H 32 4.003 3.502 0.501 1
1 321 . 7 1 1 A 32 32 THR C C 32 173.721 174.824 -1.103 1
1 322 . 7 1 1 A 32 32 THR CA C 32 59.873 64.293 -4.420 1
1 323 . 7 1 1 A 32 32 THR CB C 32 69.651 67.913 1.738 1
1 325 . 7 1 1 A 32 32 THR N N 32 108.409 113.922 -5.513 1
1 326 . 7 1 1 A 33 33 SER H H 33 7.809 7.416 0.393 1
1 327 . 7 1 1 A 33 33 SER HA H 33 4.614 4.353 0.261 1
1 330 . 7 1 1 A 33 33 SER C C 33 171.608 174.074 -2.466 1
1 331 . 7 1 1 A 33 33 SER CA C 33 56.764 58.065 -1.301 1
1 332 . 7 1 1 A 33 33 SER CB C 33 65.653 64.290 1.363 1
1 333 . 7 1 1 A 33 33 SER N N 33 115.742 117.417 -1.675 1
1 334 . 7 1 1 A 34 34 LEU H H 34 8.284 8.546 -0.262 1
1 335 . 7 1 1 A 34 34 LEU HA H 34 4.488 4.381 0.107 1
1 345 . 7 1 1 A 34 34 LEU C C 34 178.335 177.624 0.711 1
1 346 . 7 1 1 A 34 34 LEU CA C 34 54.583 54.946 -0.363 1
1 347 . 7 1 1 A 34 34 LEU CB C 34 41.872 42.958 -1.086 1
1 351 . 7 1 1 A 34 34 LEU N N 34 116.566 125.561 -8.995 1
1 352 . 7 1 1 A 35 35 GLY H H 35 8.159 8.125 0.034 1
1 353 . 7 1 1 A 35 35 GLY HA2 H 35 4.239 3.849 0.390 1
1 354 . 7 1 1 A 35 35 GLY HA3 H 35 3.949 3.855 0.094 1
1 355 . 7 1 1 A 35 35 GLY C C 35 175.299 175.463 -0.164 1
1 356 . 7 1 1 A 35 35 GLY CA C 35 44.707 45.605 -0.898 1
1 357 . 7 1 1 A 35 35 GLY N N 35 106.688 107.432 -0.744 1
1 358 . 7 1 1 A 36 36 SER HA H 36 4.123 4.046 0.077 1
1 360 . 7 1 1 A 36 36 SER CA C 36 61.785 62.704 -0.919 1
1 361 . 7 1 1 A 36 36 SER CB C 36 62.793 62.812 -0.019 1
1 362 . 7 1 1 A 37 37 VAL HA H 37 4.155 3.717 0.438 1
1 370 . 7 1 1 A 37 37 VAL C C 37 177.048 177.501 -0.453 1
1 371 . 7 1 1 A 37 37 VAL CA C 37 64.423 65.059 -0.636 1
1 372 . 7 1 1 A 37 37 VAL CB C 37 31.486 31.595 -0.109 1
1 375 . 7 1 1 A 38 38 CYS H H 38 7.746 8.313 -0.567 1
1 376 . 7 1 1 A 38 38 CYS HA H 38 4.787 4.394 0.393 1
1 379 . 7 1 1 A 38 38 CYS C C 38 174.522 176.823 -2.301 1
1 380 . 7 1 1 A 38 38 CYS CA C 38 59.344 60.716 -1.372 1
1 381 . 7 1 1 A 38 38 CYS CB C 38 29.261 28.436 0.825 1
1 382 . 7 1 1 A 38 38 CYS N N 38 116.501 119.396 -2.895 1
1 383 . 7 1 1 A 39 39 ARG H H 39 7.633 8.013 -0.380 1
1 384 . 7 1 1 A 39 39 ARG HA H 39 3.847 3.958 -0.111 1
1 390 . 7 1 1 A 39 39 ARG C C 39 177.315 179.040 -1.725 1
1 391 . 7 1 1 A 39 39 ARG CA C 39 60.952 59.303 1.649 1
1 392 . 7 1 1 A 39 39 ARG CB C 39 30.332 29.911 0.421 1
1 395 . 7 1 1 A 39 39 ARG N N 39 122.520 122.965 -0.445 1
1 396 . 7 1 1 A 40 40 GLU H H 40 8.827 8.115 0.712 1
1 397 . 7 1 1 A 40 40 GLU HA H 40 4.070 4.094 -0.024 1
1 402 . 7 1 1 A 40 40 GLU C C 40 179.719 179.217 0.502 1
1 403 . 7 1 1 A 40 40 GLU CA C 40 60.065 59.160 0.905 1
1 404 . 7 1 1 A 40 40 GLU CB C 40 29.094 29.103 -0.009 1
1 406 . 7 1 1 A 40 40 GLU N N 40 116.909 118.027 -1.118 1
1 407 . 7 1 1 A 41 41 LYS H H 41 7.660 7.674 -0.014 1
1 408 . 7 1 1 A 41 41 LYS HA H 41 4.293 4.115 0.178 1
1 416 . 7 1 1 A 41 41 LYS C C 41 176.854 179.392 -2.538 1
1 417 . 7 1 1 A 41 41 LYS CA C 41 59.908 59.271 0.637 1
1 418 . 7 1 1 A 41 41 LYS CB C 41 33.704 32.674 1.030 1
1 422 . 7 1 1 A 41 41 LYS N N 41 120.497 119.163 1.334 1
1 423 . 7 1 1 A 42 42 ILE H H 42 8.050 8.025 0.025 1
1 424 . 7 1 1 A 42 42 ILE HA H 42 3.756 3.595 0.161 1
1 434 . 7 1 1 A 42 42 ILE C C 42 177.607 177.845 -0.238 1
1 435 . 7 1 1 A 42 42 ILE CA C 42 65.460 65.022 0.438 1
1 436 . 7 1 1 A 42 42 ILE CB C 42 38.516 37.450 1.066 1
1 440 . 7 1 1 A 42 42 ILE N N 42 119.276 120.355 -1.079 1
1 441 . 7 1 1 A 43 43 GLU H H 43 8.142 8.094 0.048 1
1 442 . 7 1 1 A 43 43 GLU HA H 43 4.011 4.026 -0.015 1
1 447 . 7 1 1 A 43 43 GLU C C 43 179.477 178.562 0.915 1
1 448 . 7 1 1 A 43 43 GLU CA C 43 59.340 59.136 0.204 1
1 449 . 7 1 1 A 43 43 GLU CB C 43 29.425 29.353 0.072 1
1 451 . 7 1 1 A 43 43 GLU N N 43 116.432 120.671 -4.239 1
1 452 . 7 1 1 A 44 44 ALA H H 44 8.053 8.131 -0.078 1
1 453 . 7 1 1 A 44 44 ALA HA H 44 4.217 4.211 0.006 1
1 457 . 7 1 1 A 44 44 ALA C C 44 180.958 179.012 1.946 1
1 458 . 7 1 1 A 44 44 ALA CA C 44 55.453 54.679 0.774 1
1 459 . 7 1 1 A 44 44 ALA CB C 44 18.553 19.445 -0.892 1
1 460 . 7 1 1 A 44 44 ALA N N 44 122.819 123.013 -0.194 1
1 461 . 7 1 1 A 45 45 VAL H H 45 8.400 7.356 1.044 1
1 462 . 7 1 1 A 45 45 VAL HA H 45 3.530 3.446 0.084 1
1 470 . 7 1 1 A 45 45 VAL C C 45 176.465 176.979 -0.514 1
1 471 . 7 1 1 A 45 45 VAL CA C 45 65.075 64.426 0.649 1
1 472 . 7 1 1 A 45 45 VAL CB C 45 29.673 30.715 -1.042 1
1 475 . 7 1 1 A 45 45 VAL N N 45 120.862 116.800 4.062 1
1 476 . 7 1 1 A 46 46 ALA H H 46 8.225 7.710 0.515 1
1 477 . 7 1 1 A 46 46 ALA HA H 46 3.787 4.070 -0.283 1
1 481 . 7 1 1 A 46 46 ALA C C 46 180.205 179.703 0.502 1
1 482 . 7 1 1 A 46 46 ALA CA C 46 55.753 55.223 0.530 1
1 483 . 7 1 1 A 46 46 ALA CB C 46 18.516 18.693 -0.177 1
1 484 . 7 1 1 A 46 46 ALA N N 46 125.827 123.507 2.320 1
1 485 . 7 1 1 A 47 47 THR H H 47 7.850 7.477 0.373 1
1 486 . 7 1 1 A 47 47 THR HA H 47 4.084 3.997 0.087 1
1 491 . 7 1 1 A 47 47 THR C C 47 177.339 176.482 0.857 1
1 492 . 7 1 1 A 47 47 THR CA C 47 66.492 64.648 1.844 1
1 493 . 7 1 1 A 47 47 THR CB C 47 68.772 68.912 -0.140 1
1 495 . 7 1 1 A 47 47 THR N N 47 113.467 112.317 1.150 1
1 496 . 7 1 1 A 48 48 GLU H H 48 8.050 8.161 -0.111 1
1 497 . 7 1 1 A 48 48 GLU HA H 48 4.001 4.066 -0.065 1
1 502 . 7 1 1 A 48 48 GLU C C 48 178.457 178.201 0.256 1
1 503 . 7 1 1 A 48 48 GLU CA C 48 60.174 58.572 1.602 1
1 504 . 7 1 1 A 48 48 GLU CB C 48 29.719 29.762 -0.043 1
1 506 . 7 1 1 A 48 48 GLU N N 48 123.295 120.902 2.393 1
1 507 . 7 1 1 A 49 49 LEU H H 49 8.198 7.396 0.802 1
1 508 . 7 1 1 A 49 49 LEU HA H 49 4.215 4.306 -0.091 1
1 518 . 7 1 1 A 49 49 LEU C C 49 176.344 176.015 0.329 1
1 519 . 7 1 1 A 49 49 LEU CA C 49 55.050 54.758 0.292 1
1 520 . 7 1 1 A 49 49 LEU CB C 49 42.861 42.015 0.846 1
1 524 . 7 1 1 A 49 49 LEU N N 49 115.963 118.077 -2.114 1
1 525 . 7 1 1 A 50 50 ASN H H 50 8.008 7.756 0.252 1
1 526 . 7 1 1 A 50 50 ASN HA H 50 4.411 4.270 0.141 1
1 531 . 7 1 1 A 50 50 ASN C C 50 174.522 173.684 0.838 1
1 532 . 7 1 1 A 50 50 ASN CA C 50 54.159 54.459 -0.300 1
1 533 . 7 1 1 A 50 50 ASN CB C 50 37.446 36.644 0.802 1
1 534 . 7 1 1 A 50 50 ASN N N 50 118.398 115.633 2.765 1
1 536 . 7 1 1 A 51 51 VAL H H 51 8.240 7.571 0.669 1
1 537 . 7 1 1 A 51 51 VAL HA H 51 4.792 4.839 -0.047 1
1 545 . 7 1 1 A 51 51 VAL C C 51 174.619 174.463 0.156 1
1 546 . 7 1 1 A 51 51 VAL CA C 51 58.674 58.823 -0.149 1
1 547 . 7 1 1 A 51 51 VAL CB C 51 36.102 35.251 0.851 1
1 550 . 7 1 1 A 51 51 VAL N N 51 110.142 111.270 -1.128 1
1 551 . 7 1 1 A 52 52 ASP H H 52 8.164 8.667 -0.503 1
1 552 . 7 1 1 A 52 52 ASP HA H 52 4.597 4.374 0.223 1
1 555 . 7 1 1 A 52 52 ASP C C 52 178.262 177.464 0.798 1
1 556 . 7 1 1 A 52 52 ASP CA C 52 54.423 54.937 -0.514 1
1 557 . 7 1 1 A 52 52 ASP CB C 52 43.200 42.068 1.132 1
1 558 . 7 1 1 A 52 52 ASP N N 52 120.019 124.810 -4.791 1
1 559 . 7 1 1 A 53 53 CYS H H 53 8.967 9.096 -0.129 1
1 560 . 7 1 1 A 53 53 CYS HA H 53 3.862 4.053 -0.191 1
1 563 . 7 1 1 A 53 53 CYS C C 53 176.975 177.061 -0.086 1
1 564 . 7 1 1 A 53 53 CYS CA C 53 63.438 62.522 0.916 1
1 565 . 7 1 1 A 53 53 CYS CB C 53 27.358 27.357 0.001 1
1 566 . 7 1 1 A 53 53 CYS N N 53 122.121 126.136 -4.015 1
1 567 . 7 1 1 A 54 54 GLU H H 54 9.357 8.137 1.220 1
1 568 . 7 1 1 A 54 54 GLU HA H 54 4.083 4.061 0.022 1
1 573 . 7 1 1 A 54 54 GLU C C 54 179.064 179.431 -0.367 1
1 574 . 7 1 1 A 54 54 GLU CA C 54 59.626 59.458 0.168 1
1 575 . 7 1 1 A 54 54 GLU CB C 54 29.178 29.448 -0.270 1
1 577 . 7 1 1 A 54 54 GLU N N 54 120.121 120.889 -0.768 1
1 578 . 7 1 1 A 55 55 ILE H H 55 7.650 8.241 -0.591 1
1 579 . 7 1 1 A 55 55 ILE HA H 55 4.005 3.803 0.202 1
1 589 . 7 1 1 A 55 55 ILE C C 55 179.331 178.675 0.656 1
1 590 . 7 1 1 A 55 55 ILE CA C 55 63.558 65.349 -1.791 1
1 591 . 7 1 1 A 55 55 ILE CB C 55 36.988 38.004 -1.016 1
1 595 . 7 1 1 A 55 55 ILE N N 55 119.061 120.932 -1.871 1
1 596 . 7 1 1 A 56 56 VAL H H 56 6.973 7.969 -0.996 1
1 597 . 7 1 1 A 56 56 VAL HA H 56 3.651 3.649 0.002 1
1 605 . 7 1 1 A 56 56 VAL C C 56 177.874 178.241 -0.367 1
1 606 . 7 1 1 A 56 56 VAL CA C 56 66.847 66.709 0.138 1
1 607 . 7 1 1 A 56 56 VAL CB C 56 31.486 31.720 -0.234 1
1 610 . 7 1 1 A 56 56 VAL N N 56 121.206 120.555 0.651 1
1 611 . 7 1 1 A 57 57 ARG H H 57 8.508 8.287 0.221 1
1 612 . 7 1 1 A 57 57 ARG HA H 57 3.928 4.065 -0.137 1
1 618 . 7 1 1 A 57 57 ARG C C 57 179.282 179.172 0.110 1
1 619 . 7 1 1 A 57 57 ARG CA C 57 61.095 60.064 1.031 1
1 620 . 7 1 1 A 57 57 ARG CB C 57 30.261 29.947 0.314 1
1 623 . 7 1 1 A 57 57 ARG N N 57 118.801 119.157 -0.356 1
1 624 . 7 1 1 A 58 58 THR H H 58 8.528 8.235 0.293 1
1 625 . 7 1 1 A 58 58 THR HA H 58 4.013 4.007 0.006 1
1 630 . 7 1 1 A 58 58 THR C C 58 175.518 176.309 -0.791 1
1 631 . 7 1 1 A 58 58 THR CA C 58 66.879 66.406 0.473 1
1 632 . 7 1 1 A 58 58 THR CB C 58 68.826 68.519 0.307 1
1 634 . 7 1 1 A 58 58 THR N N 58 117.805 117.821 -0.016 1
1 635 . 7 1 1 A 59 59 TRP H H 59 7.904 7.782 0.122 1
1 636 . 7 1 1 A 59 59 TRP HA H 59 4.228 4.454 -0.226 1
1 645 . 7 1 1 A 59 59 TRP C C 59 179.015 178.539 0.476 1
1 646 . 7 1 1 A 59 59 TRP CA C 59 63.377 61.529 1.848 1
1 647 . 7 1 1 A 59 59 TRP CB C 59 28.280 29.834 -1.554 1
1 653 . 7 1 1 A 59 59 TRP N N 59 124.326 124.168 0.158 1
1 655 . 7 1 1 A 60 60 ILE H H 60 8.799 8.658 0.141 1
1 656 . 7 1 1 A 60 60 ILE HA H 60 3.461 3.693 -0.232 1
1 666 . 7 1 1 A 60 60 ILE C C 60 178.481 178.139 0.342 1
1 667 . 7 1 1 A 60 60 ILE CA C 60 65.878 65.217 0.661 1
1 668 . 7 1 1 A 60 60 ILE CB C 60 39.399 38.134 1.265 1
1 672 . 7 1 1 A 60 60 ILE N N 60 119.831 120.008 -0.177 1
1 673 . 7 1 1 A 61 61 GLY H H 61 8.659 7.701 0.958 1
1 674 . 7 1 1 A 61 61 GLY HA2 H 61 3.705 3.792 -0.087 1
1 675 . 7 1 1 A 61 61 GLY HA3 H 61 4.118 3.801 0.317 1
1 676 . 7 1 1 A 61 61 GLY C C 61 176.878 175.526 1.352 1
1 677 . 7 1 1 A 61 61 GLY CA C 61 47.388 47.133 0.255 1
1 678 . 7 1 1 A 61 61 GLY N N 61 106.205 107.727 -1.522 1
1 679 . 7 1 1 A 62 62 ASN H H 62 8.408 8.196 0.212 1
1 680 . 7 1 1 A 62 62 ASN HA H 62 4.452 4.349 0.103 1
1 685 . 7 1 1 A 62 62 ASN C C 62 177.461 177.815 -0.354 1
1 686 . 7 1 1 A 62 62 ASN CA C 62 55.480 56.163 -0.683 1
1 687 . 7 1 1 A 62 62 ASN CB C 62 37.951 39.251 -1.300 1
1 688 . 7 1 1 A 62 62 ASN N N 62 120.644 119.877 0.767 1
1 690 . 7 1 1 A 63 63 ARG H H 63 7.816 7.705 0.111 1
1 691 . 7 1 1 A 63 63 ARG HA H 63 3.544 3.700 -0.156 1
1 698 . 7 1 1 A 63 63 ARG C C 63 178.189 178.246 -0.057 1
1 699 . 7 1 1 A 63 63 ARG CA C 63 59.219 59.250 -0.031 1
1 700 . 7 1 1 A 63 63 ARG CB C 63 29.077 29.509 -0.432 1
1 703 . 7 1 1 A 63 63 ARG N N 63 124.207 119.209 4.998 1
1 704 . 7 1 1 A 64 64 ARG H H 64 8.578 7.923 0.655 1
1 705 . 7 1 1 A 64 64 ARG HA H 64 4.057 4.217 -0.160 1
1 712 . 7 1 1 A 64 64 ARG C C 64 179.039 178.957 0.082 1
1 713 . 7 1 1 A 64 64 ARG CA C 64 60.190 60.079 0.111 1
1 714 . 7 1 1 A 64 64 ARG CB C 64 30.579 29.952 0.627 1
1 717 . 7 1 1 A 64 64 ARG N N 64 117.839 118.202 -0.363 1
1 718 . 7 1 1 A 65 65 ARG H H 65 7.712 7.406 0.306 1
1 719 . 7 1 1 A 65 65 ARG HA H 65 4.091 4.075 0.016 1
1 726 . 7 1 1 A 65 65 ARG C C 65 178.214 178.164 0.050 1
1 727 . 7 1 1 A 65 65 ARG CA C 65 59.556 59.275 0.281 1
1 728 . 7 1 1 A 65 65 ARG CB C 65 30.167 29.803 0.364 1
1 731 . 7 1 1 A 65 65 ARG N N 65 118.827 119.634 -0.807 1
1 732 . 7 1 1 A 66 66 LYS H H 66 7.848 7.726 0.122 1
1 733 . 7 1 1 A 66 66 LYS HA H 66 3.997 3.949 0.048 1
1 741 . 7 1 1 A 66 66 LYS C C 66 178.481 179.034 -0.553 1
1 742 . 7 1 1 A 66 66 LYS CA C 66 59.110 58.882 0.228 1
1 743 . 7 1 1 A 66 66 LYS CB C 66 32.226 31.998 0.228 1
1 747 . 7 1 1 A 66 66 LYS N N 66 120.251 117.919 2.332 1
1 748 . 7 1 1 A 67 67 TYR H H 67 8.324 7.348 0.976 1
1 749 . 7 1 1 A 67 67 TYR HA H 67 4.274 4.383 -0.109 1
1 756 . 7 1 1 A 67 67 TYR C C 67 177.412 178.382 -0.970 1
1 757 . 7 1 1 A 67 67 TYR CA C 67 60.576 60.462 0.114 1
1 758 . 7 1 1 A 67 67 TYR CB C 67 37.043 39.113 -2.070 1
1 763 . 7 1 1 A 67 67 TYR N N 67 118.725 118.981 -0.256 1
1 764 . 7 1 1 A 68 68 ARG H H 68 8.084 8.199 -0.115 1
1 765 . 7 1 1 A 68 68 ARG HA H 68 4.218 4.361 -0.143 1
1 772 . 7 1 1 A 68 68 ARG C C 68 179.209 178.710 0.499 1
1 773 . 7 1 1 A 68 68 ARG CA C 68 58.616 59.520 -0.904 1
1 774 . 7 1 1 A 68 68 ARG CB C 68 29.343 29.620 -0.277 1
1 777 . 7 1 1 A 68 68 ARG N N 68 119.763 120.904 -1.141 1
1 778 . 7 1 1 A 69 69 LEU H H 69 8.168 8.466 -0.298 1
1 779 . 7 1 1 A 69 69 LEU HA H 69 4.244 4.042 0.202 1
1 789 . 7 1 1 A 69 69 LEU C C 69 178.457 178.520 -0.063 1
1 790 . 7 1 1 A 69 69 LEU CA C 69 56.981 57.996 -1.015 1
1 791 . 7 1 1 A 69 69 LEU CB C 69 41.955 41.627 0.328 1
1 795 . 7 1 1 A 69 69 LEU N N 69 120.874 118.789 2.085 1
1 796 . 7 1 1 A 70 70 MET H H 70 7.942 7.580 0.362 1
1 797 . 7 1 1 A 70 70 MET HA H 70 4.440 4.511 -0.071 1
1 805 . 7 1 1 A 70 70 MET C C 70 176.417 176.241 0.176 1
1 806 . 7 1 1 A 70 70 MET CA C 70 55.958 55.705 0.253 1
1 807 . 7 1 1 A 70 70 MET CB C 70 33.711 33.255 0.456 1
1 810 . 7 1 1 A 70 70 MET N N 70 117.335 118.369 -1.034 1
1 811 . 7 1 1 A 71 71 GLY H H 71 8.107 8.524 -0.417 1
1 812 . 7 1 1 A 71 71 GLY HA2 H 71 3.906 4.061 -0.155 1
1 813 . 7 1 1 A 71 71 GLY HA3 H 71 4.055 4.063 -0.008 1
1 814 . 7 1 1 A 71 71 GLY C C 71 174.255 174.132 0.123 1
1 815 . 7 1 1 A 71 71 GLY CA C 71 45.852 45.267 0.585 1
1 816 . 7 1 1 A 71 71 GLY N N 71 109.096 106.991 2.105 1
1 817 . 7 1 1 A 72 72 ILE H H 72 8.036 8.011 0.025 1
1 818 . 7 1 1 A 72 72 ILE HA H 72 4.197 4.676 -0.479 1
1 828 . 7 1 1 A 72 72 ILE C C 72 175.712 174.488 1.224 1
1 829 . 7 1 1 A 72 72 ILE CA C 72 60.626 59.476 1.150 1
1 830 . 7 1 1 A 72 72 ILE CB C 72 39.203 41.163 -1.960 1
1 834 . 7 1 1 A 72 72 ILE N N 72 120.615 120.721 -0.106 1
1 835 . 7 1 1 A 73 73 GLU H H 73 8.523 8.557 -0.034 1
1 836 . 7 1 1 A 73 73 GLU HA H 73 4.306 4.812 -0.506 1
1 841 . 7 1 1 A 73 73 GLU C C 73 176.417 175.977 0.440 1
1 842 . 7 1 1 A 73 73 GLU CA C 73 56.551 55.622 0.929 1
1 843 . 7 1 1 A 73 73 GLU CB C 73 30.167 29.414 0.753 1
1 845 . 7 1 1 A 73 73 GLU N N 73 125.837 123.994 1.843 1
1 846 . 7 1 1 A 74 74 VAL H H 74 8.319 8.652 -0.333 1
1 847 . 7 1 1 A 74 74 VAL HA H 74 4.187 4.088 0.099 1
1 855 . 7 1 1 A 74 74 VAL C C 74 176.052 177.570 -1.518 1
1 856 . 7 1 1 A 74 74 VAL CA C 74 62.103 64.134 -2.031 1
1 857 . 7 1 1 A 74 74 VAL CB C 74 33.063 32.366 0.697 1
1 860 . 7 1 1 A 74 74 VAL N N 74 122.642 124.633 -1.991 1
1 861 . 7 1 1 A 75 75 SER H H 75 8.460 7.997 0.463 1
1 862 . 7 1 1 A 75 75 SER HA H 75 4.469 4.349 0.120 1
1 865 . 7 1 1 A 75 75 SER C C 75 174.547 174.690 -0.143 1
1 866 . 7 1 1 A 75 75 SER CA C 75 58.413 59.928 -1.515 1
1 867 . 7 1 1 A 75 75 SER CB C 75 64.015 63.930 0.085 1
1 868 . 7 1 1 A 75 75 SER N N 75 120.411 115.217 5.194 1
1 869 . 7 1 1 A 76 76 GLY H H 76 8.307 7.248 1.059 1
1 870 . 7 1 1 A 76 76 GLY HA2 H 76 4.096 4.022 0.074 1
1 871 . 7 1 1 A 76 76 GLY C C 76 171.729 171.745 -0.016 1
1 872 . 7 1 1 A 76 76 GLY CA C 76 44.566 44.497 0.069 1
1 873 . 7 1 1 A 76 76 GLY N N 76 110.975 106.573 4.402 1
1 874 . 7 1 1 A 77 77 PRO HA H 77 4.508 4.570 -0.062 1
1 880 . 7 1 1 A 77 77 PRO CA C 77 63.054 62.511 0.543 1
1 881 . 7 1 1 A 77 77 PRO CB C 77 32.299 32.738 -0.439 1
1 884 . 7 1 1 A 79 79 SER HA H 79 4.507 5.085 -0.578 1
1 887 . 7 1 1 A 79 79 SER C C 79 173.939 174.237 -0.298 1
1 888 . 7 1 1 A 79 79 SER CA C 79 58.427 56.605 1.822 1
1 889 . 7 1 1 A 79 79 SER CB C 79 64.293 66.566 -2.273 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.969 3.982 -0.013 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.969 3.982 -0.013 1
1 3 . 8 1 1 A 7 7 GLY C C 7 173.939 171.773 2.166 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.342 45.776 -0.434 1
1 5 . 8 1 1 A 8 8 ALA H H 8 8.128 8.125 0.003 1
1 6 . 8 1 1 A 8 8 ALA HA H 8 4.329 4.869 -0.540 1
1 10 . 8 1 1 A 8 8 ALA C C 8 177.971 176.854 1.117 1
1 11 . 8 1 1 A 8 8 ALA CA C 8 52.565 51.552 1.013 1
1 12 . 8 1 1 A 8 8 ALA CB C 8 19.287 20.385 -1.098 1
1 13 . 8 1 1 A 8 8 ALA N N 8 123.703 124.035 -0.332 1
1 14 . 8 1 1 A 9 9 LEU H H 9 8.240 8.727 -0.487 1
1 15 . 8 1 1 A 9 9 LEU HA H 9 4.304 5.143 -0.839 1
1 25 . 8 1 1 A 9 9 LEU C C 9 177.655 175.666 1.989 1
1 26 . 8 1 1 A 9 9 LEU CA C 9 55.570 53.608 1.962 1
1 27 . 8 1 1 A 9 9 LEU CB C 9 42.202 46.661 -4.459 1
1 31 . 8 1 1 A 9 9 LEU N N 9 121.161 120.369 0.792 1
1 32 . 8 1 1 A 10 10 GLN H H 10 8.305 8.607 -0.302 1
1 33 . 8 1 1 A 10 10 GLN HA H 10 4.313 4.680 -0.367 1
1 40 . 8 1 1 A 10 10 GLN C C 10 175.737 173.018 2.719 1
1 41 . 8 1 1 A 10 10 GLN CA C 10 56.099 55.749 0.350 1
1 42 . 8 1 1 A 10 10 GLN CB C 10 29.425 33.052 -3.627 1
1 44 . 8 1 1 A 10 10 GLN N N 10 120.538 121.479 -0.941 1
1 46 . 8 1 1 A 11 11 ASP H H 11 8.306 9.000 -0.694 1
1 47 . 8 1 1 A 11 11 ASP HA H 11 4.589 4.911 -0.322 1
1 50 . 8 1 1 A 11 11 ASP C C 11 176.319 174.876 1.443 1
1 51 . 8 1 1 A 11 11 ASP CA C 11 54.583 52.958 1.625 1
1 52 . 8 1 1 A 11 11 ASP CB C 11 41.204 41.392 -0.188 1
1 53 . 8 1 1 A 11 11 ASP N N 11 121.418 126.422 -5.004 1
1 54 . 8 1 1 A 12 12 ARG H H 12 8.257 8.896 -0.639 1
1 55 . 8 1 1 A 12 12 ARG HA H 12 4.408 4.704 -0.296 1
1 62 . 8 1 1 A 12 12 ARG C C 12 176.295 175.427 0.868 1
1 63 . 8 1 1 A 12 12 ARG CA C 12 56.088 55.461 0.627 1
1 64 . 8 1 1 A 12 12 ARG CB C 12 30.579 30.706 -0.127 1
1 67 . 8 1 1 A 12 12 ARG N N 12 121.271 126.530 -5.259 1
1 68 . 8 1 1 A 13 13 THR H H 13 8.189 8.887 -0.698 1
1 69 . 8 1 1 A 13 13 THR HA H 13 4.193 5.028 -0.835 1
1 74 . 8 1 1 A 13 13 THR C C 13 174.121 173.500 0.621 1
1 75 . 8 1 1 A 13 13 THR CA C 13 62.448 60.058 2.390 1
1 76 . 8 1 1 A 13 13 THR CB C 13 69.697 71.399 -1.702 1
1 78 . 8 1 1 A 13 13 THR N N 13 114.810 113.534 1.276 1
1 79 . 8 1 1 A 14 14 GLN H H 14 8.130 8.668 -0.538 1
1 80 . 8 1 1 A 14 14 GLN HA H 14 4.314 5.113 -0.799 1
1 87 . 8 1 1 A 14 14 GLN C C 14 175.275 174.271 1.004 1
1 88 . 8 1 1 A 14 14 GLN CA C 14 55.253 54.124 1.129 1
1 89 . 8 1 1 A 14 14 GLN CB C 14 29.838 31.993 -2.155 1
1 91 . 8 1 1 A 14 14 GLN N N 14 122.533 121.739 0.794 1
1 93 . 8 1 1 A 15 15 PHE H H 15 8.151 9.046 -0.895 1
1 94 . 8 1 1 A 15 15 PHE HA H 15 5.009 5.180 -0.171 1
1 102 . 8 1 1 A 15 15 PHE C C 15 176.465 174.801 1.664 1
1 103 . 8 1 1 A 15 15 PHE CA C 15 57.157 56.072 1.085 1
1 104 . 8 1 1 A 15 15 PHE CB C 15 40.996 41.842 -0.846 1
1 110 . 8 1 1 A 15 15 PHE N N 15 120.835 119.067 1.768 1
1 111 . 8 1 1 A 16 16 SER H H 16 9.565 8.881 0.684 1
1 112 . 8 1 1 A 16 16 SER HA H 16 4.610 4.808 -0.198 1
1 115 . 8 1 1 A 16 16 SER C C 16 174.547 175.371 -0.824 1
1 116 . 8 1 1 A 16 16 SER CA C 16 56.946 56.664 0.282 1
1 117 . 8 1 1 A 16 16 SER CB C 16 65.545 64.938 0.607 1
1 118 . 8 1 1 A 16 16 SER N N 16 119.442 118.220 1.222 1
1 119 . 8 1 1 A 17 17 ASP H H 17 8.947 9.252 -0.305 1
1 120 . 8 1 1 A 17 17 ASP HA H 17 4.386 4.318 0.068 1
1 123 . 8 1 1 A 17 17 ASP C C 17 179.331 178.165 1.166 1
1 124 . 8 1 1 A 17 17 ASP CA C 17 58.074 57.133 0.941 1
1 125 . 8 1 1 A 17 17 ASP CB C 17 39.875 40.156 -0.281 1
1 126 . 8 1 1 A 17 17 ASP N N 17 120.645 126.632 -5.987 1
1 127 . 8 1 1 A 18 18 ARG H H 18 8.302 8.220 0.082 1
1 128 . 8 1 1 A 18 18 ARG HA H 18 4.098 4.046 0.052 1
1 135 . 8 1 1 A 18 18 ARG C C 18 178.699 178.224 0.475 1
1 136 . 8 1 1 A 18 18 ARG CA C 18 59.203 59.110 0.093 1
1 137 . 8 1 1 A 18 18 ARG CB C 18 29.920 30.135 -0.215 1
1 140 . 8 1 1 A 18 18 ARG N N 18 121.398 118.948 2.450 1
1 141 . 8 1 1 A 19 19 ASP H H 19 7.853 8.037 -0.184 1
1 142 . 8 1 1 A 19 19 ASP HA H 19 4.151 4.371 -0.220 1
1 145 . 8 1 1 A 19 19 ASP C C 19 178.384 178.492 -0.108 1
1 146 . 8 1 1 A 19 19 ASP CA C 19 57.348 57.142 0.206 1
1 147 . 8 1 1 A 19 19 ASP CB C 19 40.392 40.863 -0.471 1
1 148 . 8 1 1 A 19 19 ASP N N 19 122.636 120.025 2.611 1
1 149 . 8 1 1 A 20 20 LEU H H 20 8.335 8.161 0.174 1
1 150 . 8 1 1 A 20 20 LEU HA H 20 3.635 3.550 0.085 1
1 160 . 8 1 1 A 20 20 LEU C C 20 179.234 178.973 0.261 1
1 161 . 8 1 1 A 20 20 LEU CA C 20 57.587 57.917 -0.330 1
1 162 . 8 1 1 A 20 20 LEU CB C 20 41.658 41.374 0.284 1
1 166 . 8 1 1 A 20 20 LEU N N 20 118.845 119.306 -0.461 1
1 167 . 8 1 1 A 21 21 ALA H H 21 7.905 8.135 -0.230 1
1 168 . 8 1 1 A 21 21 ALA HA H 21 4.123 4.016 0.107 1
1 172 . 8 1 1 A 21 21 ALA C C 21 181.031 179.789 1.242 1
1 173 . 8 1 1 A 21 21 ALA CA C 21 55.103 55.382 -0.279 1
1 174 . 8 1 1 A 21 21 ALA CB C 21 17.709 18.557 -0.848 1
1 175 . 8 1 1 A 21 21 ALA N N 21 122.007 121.020 0.987 1
1 176 . 8 1 1 A 22 22 THR H H 22 7.886 8.366 -0.480 1
1 177 . 8 1 1 A 22 22 THR HA H 22 3.954 3.739 0.215 1
1 182 . 8 1 1 A 22 22 THR C C 22 175.834 176.307 -0.473 1
1 183 . 8 1 1 A 22 22 THR CA C 22 67.081 67.394 -0.313 1
1 184 . 8 1 1 A 22 22 THR CB C 22 68.253 68.927 -0.674 1
1 186 . 8 1 1 A 22 22 THR N N 22 119.042 114.074 4.968 1
1 187 . 8 1 1 A 23 23 LEU H H 23 8.036 8.185 -0.149 1
1 188 . 8 1 1 A 23 23 LEU HA H 23 3.404 3.845 -0.441 1
1 198 . 8 1 1 A 23 23 LEU C C 23 178.335 178.697 -0.362 1
1 199 . 8 1 1 A 23 23 LEU CA C 23 59.230 58.152 1.078 1
1 200 . 8 1 1 A 23 23 LEU CB C 23 39.399 41.397 -1.998 1
1 204 . 8 1 1 A 23 23 LEU N N 23 123.450 119.809 3.641 1
1 205 . 8 1 1 A 24 24 LYS H H 24 8.166 8.297 -0.131 1
1 206 . 8 1 1 A 24 24 LYS HA H 24 4.074 4.098 -0.024 1
1 215 . 8 1 1 A 24 24 LYS C C 24 177.631 179.297 -1.666 1
1 216 . 8 1 1 A 24 24 LYS CA C 24 60.367 60.143 0.224 1
1 217 . 8 1 1 A 24 24 LYS CB C 24 32.554 32.423 0.131 1
1 221 . 8 1 1 A 24 24 LYS N N 24 117.974 116.527 1.447 1
1 222 . 8 1 1 A 25 25 LYS H H 25 7.837 7.880 -0.043 1
1 223 . 8 1 1 A 25 25 LYS HA H 25 4.205 4.011 0.194 1
1 232 . 8 1 1 A 25 25 LYS C C 25 179.695 178.670 1.025 1
1 233 . 8 1 1 A 25 25 LYS CA C 25 59.704 59.099 0.605 1
1 234 . 8 1 1 A 25 25 LYS CB C 25 31.816 32.159 -0.343 1
1 238 . 8 1 1 A 25 25 LYS N N 25 120.567 120.268 0.299 1
1 239 . 8 1 1 A 26 26 TYR H H 26 8.158 8.138 0.020 1
1 240 . 8 1 1 A 26 26 TYR HA H 26 4.089 4.170 -0.081 1
1 247 . 8 1 1 A 26 26 TYR C C 26 180.035 178.695 1.340 1
1 248 . 8 1 1 A 26 26 TYR CA C 26 63.104 60.298 2.806 1
1 249 . 8 1 1 A 26 26 TYR CB C 26 36.926 37.827 -0.901 1
1 254 . 8 1 1 A 26 26 TYR N N 26 118.591 118.555 0.036 1
1 255 . 8 1 1 A 27 27 TRP H H 27 9.294 8.102 1.192 1
1 256 . 8 1 1 A 27 27 TRP HA H 27 4.349 4.437 -0.088 1
1 265 . 8 1 1 A 27 27 TRP C C 27 179.209 178.535 0.674 1
1 266 . 8 1 1 A 27 27 TRP CA C 27 61.357 60.808 0.549 1
1 267 . 8 1 1 A 27 27 TRP CB C 27 28.481 29.960 -1.479 1
1 273 . 8 1 1 A 27 27 TRP N N 27 125.036 122.279 2.757 1
1 275 . 8 1 1 A 28 28 ASP H H 28 9.354 8.211 1.143 1
1 276 . 8 1 1 A 28 28 ASP HA H 28 4.479 4.613 -0.134 1
1 279 . 8 1 1 A 28 28 ASP C C 28 176.999 177.237 -0.238 1
1 280 . 8 1 1 A 28 28 ASP CA C 28 57.024 56.922 0.102 1
1 281 . 8 1 1 A 28 28 ASP CB C 28 39.894 40.938 -1.044 1
1 282 . 8 1 1 A 28 28 ASP N N 28 121.650 119.211 2.439 1
1 283 . 8 1 1 A 29 29 ASN H H 29 7.569 8.328 -0.759 1
1 284 . 8 1 1 A 29 29 ASN HA H 29 4.905 4.946 -0.041 1
1 289 . 8 1 1 A 29 29 ASN C C 29 174.935 175.270 -0.335 1
1 290 . 8 1 1 A 29 29 ASN CA C 29 52.819 52.351 0.468 1
1 291 . 8 1 1 A 29 29 ASN CB C 29 39.320 38.643 0.677 1
1 292 . 8 1 1 A 29 29 ASN N N 29 116.912 116.691 0.221 1
1 294 . 8 1 1 A 30 30 GLY H H 30 7.695 7.645 0.050 1
1 295 . 8 1 1 A 30 30 GLY HA2 H 30 3.603 3.675 -0.072 1
1 296 . 8 1 1 A 30 30 GLY HA3 H 30 4.489 3.820 0.669 1
1 297 . 8 1 1 A 30 30 GLY C C 30 174.571 174.442 0.129 1
1 298 . 8 1 1 A 30 30 GLY CA C 30 45.332 46.719 -1.387 1
1 299 . 8 1 1 A 30 30 GLY N N 30 105.356 108.278 -2.922 1
1 300 . 8 1 1 A 31 31 MET H H 31 8.574 7.911 0.663 1
1 301 . 8 1 1 A 31 31 MET HA H 31 4.769 4.489 0.280 1
1 309 . 8 1 1 A 31 31 MET C C 31 173.381 176.104 -2.723 1
1 310 . 8 1 1 A 31 31 MET CA C 31 54.301 54.099 0.202 1
1 311 . 8 1 1 A 31 31 MET CB C 31 31.899 30.782 1.117 1
1 314 . 8 1 1 A 31 31 MET N N 31 125.209 120.571 4.638 1
1 315 . 8 1 1 A 32 32 THR H H 32 7.284 7.413 -0.129 1
1 316 . 8 1 1 A 32 32 THR HA H 32 4.003 4.031 -0.028 1
1 321 . 8 1 1 A 32 32 THR C C 32 173.721 174.659 -0.938 1
1 322 . 8 1 1 A 32 32 THR CA C 32 59.873 63.024 -3.151 1
1 323 . 8 1 1 A 32 32 THR CB C 32 69.651 69.225 0.426 1
1 325 . 8 1 1 A 32 32 THR N N 32 108.409 115.833 -7.424 1
1 326 . 8 1 1 A 33 33 SER H H 33 7.809 7.671 0.138 1
1 327 . 8 1 1 A 33 33 SER HA H 33 4.614 4.384 0.230 1
1 330 . 8 1 1 A 33 33 SER C C 33 171.608 174.466 -2.858 1
1 331 . 8 1 1 A 33 33 SER CA C 33 56.764 58.654 -1.890 1
1 332 . 8 1 1 A 33 33 SER CB C 33 65.653 63.644 2.009 1
1 333 . 8 1 1 A 33 33 SER N N 33 115.742 117.648 -1.906 1
1 334 . 8 1 1 A 34 34 LEU H H 34 8.284 8.566 -0.282 1
1 335 . 8 1 1 A 34 34 LEU HA H 34 4.488 4.376 0.112 1
1 345 . 8 1 1 A 34 34 LEU C C 34 178.335 177.535 0.800 1
1 346 . 8 1 1 A 34 34 LEU CA C 34 54.583 55.346 -0.763 1
1 347 . 8 1 1 A 34 34 LEU CB C 34 41.872 42.907 -1.035 1
1 351 . 8 1 1 A 34 34 LEU N N 34 116.566 125.946 -9.380 1
1 352 . 8 1 1 A 35 35 GLY H H 35 8.159 8.291 -0.132 1
1 353 . 8 1 1 A 35 35 GLY HA2 H 35 4.239 4.083 0.156 1
1 354 . 8 1 1 A 35 35 GLY HA3 H 35 3.949 4.088 -0.139 1
1 355 . 8 1 1 A 35 35 GLY C C 35 175.299 174.824 0.475 1
1 356 . 8 1 1 A 35 35 GLY CA C 35 44.707 44.834 -0.127 1
1 357 . 8 1 1 A 35 35 GLY N N 35 106.688 107.587 -0.899 1
1 358 . 8 1 1 A 36 36 SER HA H 36 4.123 4.099 0.024 1
1 360 . 8 1 1 A 36 36 SER CA C 36 61.785 62.846 -1.061 1
1 361 . 8 1 1 A 36 36 SER CB C 36 62.793 62.957 -0.164 1
1 362 . 8 1 1 A 37 37 VAL HA H 37 4.155 3.892 0.263 1
1 370 . 8 1 1 A 37 37 VAL C C 37 177.048 176.965 0.083 1
1 371 . 8 1 1 A 37 37 VAL CA C 37 64.423 65.379 -0.956 1
1 372 . 8 1 1 A 37 37 VAL CB C 37 31.486 31.679 -0.193 1
1 375 . 8 1 1 A 38 38 CYS H H 38 7.746 7.764 -0.018 1
1 376 . 8 1 1 A 38 38 CYS HA H 38 4.787 4.466 0.321 1
1 379 . 8 1 1 A 38 38 CYS C C 38 174.522 176.263 -1.741 1
1 380 . 8 1 1 A 38 38 CYS CA C 38 59.344 60.050 -0.706 1
1 381 . 8 1 1 A 38 38 CYS CB C 38 29.261 29.135 0.126 1
1 382 . 8 1 1 A 38 38 CYS N N 38 116.501 120.336 -3.835 1
1 383 . 8 1 1 A 39 39 ARG H H 39 7.633 8.470 -0.837 1
1 384 . 8 1 1 A 39 39 ARG HA H 39 3.847 3.925 -0.078 1
1 390 . 8 1 1 A 39 39 ARG C C 39 177.315 178.852 -1.537 1
1 391 . 8 1 1 A 39 39 ARG CA C 39 60.952 59.343 1.609 1
1 392 . 8 1 1 A 39 39 ARG CB C 39 30.332 30.003 0.329 1
1 395 . 8 1 1 A 39 39 ARG N N 39 122.520 122.435 0.085 1
1 396 . 8 1 1 A 40 40 GLU H H 40 8.827 8.352 0.475 1
1 397 . 8 1 1 A 40 40 GLU HA H 40 4.070 3.927 0.143 1
1 402 . 8 1 1 A 40 40 GLU C C 40 179.719 179.229 0.490 1
1 403 . 8 1 1 A 40 40 GLU CA C 40 60.065 59.340 0.725 1
1 404 . 8 1 1 A 40 40 GLU CB C 40 29.094 29.259 -0.165 1
1 406 . 8 1 1 A 40 40 GLU N N 40 116.909 117.493 -0.584 1
1 407 . 8 1 1 A 41 41 LYS H H 41 7.660 8.083 -0.423 1
1 408 . 8 1 1 A 41 41 LYS HA H 41 4.293 3.841 0.452 1
1 416 . 8 1 1 A 41 41 LYS C C 41 176.854 178.926 -2.072 1
1 417 . 8 1 1 A 41 41 LYS CA C 41 59.908 58.936 0.972 1
1 418 . 8 1 1 A 41 41 LYS CB C 41 33.704 32.250 1.454 1
1 422 . 8 1 1 A 41 41 LYS N N 41 120.497 118.263 2.234 1
1 423 . 8 1 1 A 42 42 ILE H H 42 8.050 8.057 -0.007 1
1 424 . 8 1 1 A 42 42 ILE HA H 42 3.756 3.531 0.225 1
1 434 . 8 1 1 A 42 42 ILE C C 42 177.607 177.873 -0.266 1
1 435 . 8 1 1 A 42 42 ILE CA C 42 65.460 65.177 0.283 1
1 436 . 8 1 1 A 42 42 ILE CB C 42 38.516 37.365 1.151 1
1 440 . 8 1 1 A 42 42 ILE N N 42 119.276 120.865 -1.589 1
1 441 . 8 1 1 A 43 43 GLU H H 43 8.142 8.698 -0.556 1
1 442 . 8 1 1 A 43 43 GLU HA H 43 4.011 4.034 -0.023 1
1 447 . 8 1 1 A 43 43 GLU C C 43 179.477 178.743 0.734 1
1 448 . 8 1 1 A 43 43 GLU CA C 43 59.340 59.261 0.079 1
1 449 . 8 1 1 A 43 43 GLU CB C 43 29.425 29.186 0.239 1
1 451 . 8 1 1 A 43 43 GLU N N 43 116.432 120.777 -4.345 1
1 452 . 8 1 1 A 44 44 ALA H H 44 8.053 7.770 0.283 1
1 453 . 8 1 1 A 44 44 ALA HA H 44 4.217 4.209 0.008 1
1 457 . 8 1 1 A 44 44 ALA C C 44 180.958 179.091 1.867 1
1 458 . 8 1 1 A 44 44 ALA CA C 44 55.453 54.829 0.624 1
1 459 . 8 1 1 A 44 44 ALA CB C 44 18.553 19.336 -0.783 1
1 460 . 8 1 1 A 44 44 ALA N N 44 122.819 122.890 -0.071 1
1 461 . 8 1 1 A 45 45 VAL H H 45 8.400 7.628 0.772 1
1 462 . 8 1 1 A 45 45 VAL HA H 45 3.530 3.888 -0.358 1
1 470 . 8 1 1 A 45 45 VAL C C 45 176.465 177.191 -0.726 1
1 471 . 8 1 1 A 45 45 VAL CA C 45 65.075 64.883 0.192 1
1 472 . 8 1 1 A 45 45 VAL CB C 45 29.673 31.332 -1.659 1
1 475 . 8 1 1 A 45 45 VAL N N 45 120.862 117.097 3.765 1
1 476 . 8 1 1 A 46 46 ALA H H 46 8.225 7.916 0.309 1
1 477 . 8 1 1 A 46 46 ALA HA H 46 3.787 4.163 -0.376 1
1 481 . 8 1 1 A 46 46 ALA C C 46 180.205 179.897 0.308 1
1 482 . 8 1 1 A 46 46 ALA CA C 46 55.753 55.219 0.534 1
1 483 . 8 1 1 A 46 46 ALA CB C 46 18.516 18.714 -0.198 1
1 484 . 8 1 1 A 46 46 ALA N N 46 125.827 123.943 1.884 1
1 485 . 8 1 1 A 47 47 THR H H 47 7.850 7.598 0.252 1
1 486 . 8 1 1 A 47 47 THR HA H 47 4.084 4.033 0.051 1
1 491 . 8 1 1 A 47 47 THR C C 47 177.339 176.419 0.920 1
1 492 . 8 1 1 A 47 47 THR CA C 47 66.492 64.751 1.741 1
1 493 . 8 1 1 A 47 47 THR CB C 47 68.772 69.020 -0.248 1
1 495 . 8 1 1 A 47 47 THR N N 47 113.467 112.610 0.857 1
1 496 . 8 1 1 A 48 48 GLU H H 48 8.050 8.259 -0.209 1
1 497 . 8 1 1 A 48 48 GLU HA H 48 4.001 4.110 -0.109 1
1 502 . 8 1 1 A 48 48 GLU C C 48 178.457 178.618 -0.161 1
1 503 . 8 1 1 A 48 48 GLU CA C 48 60.174 58.569 1.605 1
1 504 . 8 1 1 A 48 48 GLU CB C 48 29.719 29.618 0.101 1
1 506 . 8 1 1 A 48 48 GLU N N 48 123.295 120.945 2.350 1
1 507 . 8 1 1 A 49 49 LEU H H 49 8.198 7.653 0.545 1
1 508 . 8 1 1 A 49 49 LEU HA H 49 4.215 4.304 -0.089 1
1 518 . 8 1 1 A 49 49 LEU C C 49 176.344 175.840 0.504 1
1 519 . 8 1 1 A 49 49 LEU CA C 49 55.050 54.965 0.085 1
1 520 . 8 1 1 A 49 49 LEU CB C 49 42.861 42.140 0.721 1
1 524 . 8 1 1 A 49 49 LEU N N 49 115.963 118.003 -2.040 1
1 525 . 8 1 1 A 50 50 ASN H H 50 8.008 8.022 -0.014 1
1 526 . 8 1 1 A 50 50 ASN HA H 50 4.411 4.288 0.123 1
1 531 . 8 1 1 A 50 50 ASN C C 50 174.522 173.708 0.814 1
1 532 . 8 1 1 A 50 50 ASN CA C 50 54.159 54.513 -0.354 1
1 533 . 8 1 1 A 50 50 ASN CB C 50 37.446 36.643 0.803 1
1 534 . 8 1 1 A 50 50 ASN N N 50 118.398 115.838 2.560 1
1 536 . 8 1 1 A 51 51 VAL H H 51 8.240 7.661 0.579 1
1 537 . 8 1 1 A 51 51 VAL HA H 51 4.792 4.879 -0.087 1
1 545 . 8 1 1 A 51 51 VAL C C 51 174.619 174.619 0.000 1
1 546 . 8 1 1 A 51 51 VAL CA C 51 58.674 58.594 0.080 1
1 547 . 8 1 1 A 51 51 VAL CB C 51 36.102 35.415 0.687 1
1 550 . 8 1 1 A 51 51 VAL N N 51 110.142 110.652 -0.510 1
1 551 . 8 1 1 A 52 52 ASP H H 52 8.164 8.674 -0.510 1
1 552 . 8 1 1 A 52 52 ASP HA H 52 4.597 4.605 -0.008 1
1 555 . 8 1 1 A 52 52 ASP C C 52 178.262 178.229 0.033 1
1 556 . 8 1 1 A 52 52 ASP CA C 52 54.423 54.890 -0.467 1
1 557 . 8 1 1 A 52 52 ASP CB C 52 43.200 40.956 2.244 1
1 558 . 8 1 1 A 52 52 ASP N N 52 120.019 123.299 -3.280 1
1 559 . 8 1 1 A 53 53 CYS H H 53 8.967 8.990 -0.023 1
1 560 . 8 1 1 A 53 53 CYS HA H 53 3.862 4.099 -0.237 1
1 563 . 8 1 1 A 53 53 CYS C C 53 176.975 176.870 0.105 1
1 564 . 8 1 1 A 53 53 CYS CA C 53 63.438 62.364 1.074 1
1 565 . 8 1 1 A 53 53 CYS CB C 53 27.358 27.483 -0.125 1
1 566 . 8 1 1 A 53 53 CYS N N 53 122.121 122.842 -0.721 1
1 567 . 8 1 1 A 54 54 GLU H H 54 9.357 8.314 1.043 1
1 568 . 8 1 1 A 54 54 GLU HA H 54 4.083 4.130 -0.047 1
1 573 . 8 1 1 A 54 54 GLU C C 54 179.064 179.105 -0.041 1
1 574 . 8 1 1 A 54 54 GLU CA C 54 59.626 59.193 0.433 1
1 575 . 8 1 1 A 54 54 GLU CB C 54 29.178 29.500 -0.322 1
1 577 . 8 1 1 A 54 54 GLU N N 54 120.121 118.638 1.483 1
1 578 . 8 1 1 A 55 55 ILE H H 55 7.650 8.348 -0.698 1
1 579 . 8 1 1 A 55 55 ILE HA H 55 4.005 3.800 0.205 1
1 589 . 8 1 1 A 55 55 ILE C C 55 179.331 178.530 0.801 1
1 590 . 8 1 1 A 55 55 ILE CA C 55 63.558 65.504 -1.946 1
1 591 . 8 1 1 A 55 55 ILE CB C 55 36.988 37.993 -1.005 1
1 595 . 8 1 1 A 55 55 ILE N N 55 119.061 121.818 -2.757 1
1 596 . 8 1 1 A 56 56 VAL H H 56 6.973 7.681 -0.708 1
1 597 . 8 1 1 A 56 56 VAL HA H 56 3.651 3.686 -0.035 1
1 605 . 8 1 1 A 56 56 VAL C C 56 177.874 178.145 -0.271 1
1 606 . 8 1 1 A 56 56 VAL CA C 56 66.847 66.482 0.365 1
1 607 . 8 1 1 A 56 56 VAL CB C 56 31.486 31.767 -0.281 1
1 610 . 8 1 1 A 56 56 VAL N N 56 121.206 120.743 0.463 1
1 611 . 8 1 1 A 57 57 ARG H H 57 8.508 8.326 0.182 1
1 612 . 8 1 1 A 57 57 ARG HA H 57 3.928 4.069 -0.141 1
1 618 . 8 1 1 A 57 57 ARG C C 57 179.282 178.969 0.313 1
1 619 . 8 1 1 A 57 57 ARG CA C 57 61.095 59.924 1.171 1
1 620 . 8 1 1 A 57 57 ARG CB C 57 30.261 30.252 0.009 1
1 623 . 8 1 1 A 57 57 ARG N N 57 118.801 119.170 -0.369 1
1 624 . 8 1 1 A 58 58 THR H H 58 8.528 8.335 0.193 1
1 625 . 8 1 1 A 58 58 THR HA H 58 4.013 4.031 -0.018 1
1 630 . 8 1 1 A 58 58 THR C C 58 175.518 176.333 -0.815 1
1 631 . 8 1 1 A 58 58 THR CA C 58 66.879 66.740 0.139 1
1 632 . 8 1 1 A 58 58 THR CB C 58 68.826 68.544 0.282 1
1 634 . 8 1 1 A 58 58 THR N N 58 117.805 117.292 0.513 1
1 635 . 8 1 1 A 59 59 TRP H H 59 7.904 8.210 -0.306 1
1 636 . 8 1 1 A 59 59 TRP HA H 59 4.228 4.364 -0.136 1
1 645 . 8 1 1 A 59 59 TRP C C 59 179.015 178.547 0.468 1
1 646 . 8 1 1 A 59 59 TRP CA C 59 63.377 61.526 1.851 1
1 647 . 8 1 1 A 59 59 TRP CB C 59 28.280 29.515 -1.235 1
1 653 . 8 1 1 A 59 59 TRP N N 59 124.326 123.599 0.727 1
1 655 . 8 1 1 A 60 60 ILE H H 60 8.799 8.283 0.516 1
1 656 . 8 1 1 A 60 60 ILE HA H 60 3.461 3.670 -0.209 1
1 666 . 8 1 1 A 60 60 ILE C C 60 178.481 177.769 0.712 1
1 667 . 8 1 1 A 60 60 ILE CA C 60 65.878 65.178 0.700 1
1 668 . 8 1 1 A 60 60 ILE CB C 60 39.399 38.262 1.137 1
1 672 . 8 1 1 A 60 60 ILE N N 60 119.831 119.689 0.142 1
1 673 . 8 1 1 A 61 61 GLY H H 61 8.659 7.754 0.905 1
1 674 . 8 1 1 A 61 61 GLY HA2 H 61 3.705 3.793 -0.088 1
1 675 . 8 1 1 A 61 61 GLY HA3 H 61 4.118 3.795 0.323 1
1 676 . 8 1 1 A 61 61 GLY C C 61 176.878 175.587 1.291 1
1 677 . 8 1 1 A 61 61 GLY CA C 61 47.388 47.095 0.293 1
1 678 . 8 1 1 A 61 61 GLY N N 61 106.205 107.751 -1.546 1
1 679 . 8 1 1 A 62 62 ASN H H 62 8.408 8.804 -0.396 1
1 680 . 8 1 1 A 62 62 ASN HA H 62 4.452 4.357 0.095 1
1 685 . 8 1 1 A 62 62 ASN C C 62 177.461 177.763 -0.302 1
1 686 . 8 1 1 A 62 62 ASN CA C 62 55.480 56.344 -0.864 1
1 687 . 8 1 1 A 62 62 ASN CB C 62 37.951 39.414 -1.463 1
1 688 . 8 1 1 A 62 62 ASN N N 62 120.644 119.776 0.868 1
1 690 . 8 1 1 A 63 63 ARG H H 63 7.816 8.055 -0.239 1
1 691 . 8 1 1 A 63 63 ARG HA H 63 3.544 3.737 -0.193 1
1 698 . 8 1 1 A 63 63 ARG C C 63 178.189 179.022 -0.833 1
1 699 . 8 1 1 A 63 63 ARG CA C 63 59.219 59.317 -0.098 1
1 700 . 8 1 1 A 63 63 ARG CB C 63 29.077 29.145 -0.068 1
1 703 . 8 1 1 A 63 63 ARG N N 63 124.207 119.501 4.706 1
1 704 . 8 1 1 A 64 64 ARG H H 64 8.578 8.031 0.547 1
1 705 . 8 1 1 A 64 64 ARG HA H 64 4.057 4.232 -0.175 1
1 712 . 8 1 1 A 64 64 ARG C C 64 179.039 179.074 -0.035 1
1 713 . 8 1 1 A 64 64 ARG CA C 64 60.190 59.588 0.602 1
1 714 . 8 1 1 A 64 64 ARG CB C 64 30.579 30.174 0.405 1
1 717 . 8 1 1 A 64 64 ARG N N 64 117.839 118.393 -0.554 1
1 718 . 8 1 1 A 65 65 ARG H H 65 7.712 8.254 -0.542 1
1 719 . 8 1 1 A 65 65 ARG HA H 65 4.091 4.156 -0.065 1
1 726 . 8 1 1 A 65 65 ARG C C 65 178.214 179.223 -1.009 1
1 727 . 8 1 1 A 65 65 ARG CA C 65 59.556 59.232 0.324 1
1 728 . 8 1 1 A 65 65 ARG CB C 65 30.167 30.174 -0.007 1
1 731 . 8 1 1 A 65 65 ARG N N 65 118.827 118.942 -0.115 1
1 732 . 8 1 1 A 66 66 LYS H H 66 7.848 8.175 -0.327 1
1 733 . 8 1 1 A 66 66 LYS HA H 66 3.997 3.932 0.065 1
1 741 . 8 1 1 A 66 66 LYS C C 66 178.481 178.112 0.369 1
1 742 . 8 1 1 A 66 66 LYS CA C 66 59.110 59.013 0.097 1
1 743 . 8 1 1 A 66 66 LYS CB C 66 32.226 31.899 0.327 1
1 747 . 8 1 1 A 66 66 LYS N N 66 120.251 120.209 0.042 1
1 748 . 8 1 1 A 67 67 TYR H H 67 8.324 7.315 1.009 1
1 749 . 8 1 1 A 67 67 TYR HA H 67 4.274 4.410 -0.136 1
1 756 . 8 1 1 A 67 67 TYR C C 67 177.412 178.377 -0.965 1
1 757 . 8 1 1 A 67 67 TYR CA C 67 60.576 60.177 0.399 1
1 758 . 8 1 1 A 67 67 TYR CB C 67 37.043 39.403 -2.360 1
1 763 . 8 1 1 A 67 67 TYR N N 67 118.725 118.034 0.691 1
1 764 . 8 1 1 A 68 68 ARG H H 68 8.084 8.411 -0.327 1
1 765 . 8 1 1 A 68 68 ARG HA H 68 4.218 4.186 0.032 1
1 772 . 8 1 1 A 68 68 ARG C C 68 179.209 178.314 0.895 1
1 773 . 8 1 1 A 68 68 ARG CA C 68 58.616 59.339 -0.723 1
1 774 . 8 1 1 A 68 68 ARG CB C 68 29.343 29.835 -0.492 1
1 777 . 8 1 1 A 68 68 ARG N N 68 119.763 120.568 -0.805 1
1 778 . 8 1 1 A 69 69 LEU H H 69 8.168 8.482 -0.314 1
1 779 . 8 1 1 A 69 69 LEU HA H 69 4.244 3.992 0.252 1
1 789 . 8 1 1 A 69 69 LEU C C 69 178.457 179.200 -0.743 1
1 790 . 8 1 1 A 69 69 LEU CA C 69 56.981 57.747 -0.766 1
1 791 . 8 1 1 A 69 69 LEU CB C 69 41.955 41.569 0.386 1
1 795 . 8 1 1 A 69 69 LEU N N 69 120.874 119.706 1.168 1
1 796 . 8 1 1 A 70 70 MET H H 70 7.942 7.690 0.252 1
1 797 . 8 1 1 A 70 70 MET HA H 70 4.440 4.447 -0.007 1
1 805 . 8 1 1 A 70 70 MET C C 70 176.417 176.306 0.111 1
1 806 . 8 1 1 A 70 70 MET CA C 70 55.958 55.817 0.141 1
1 807 . 8 1 1 A 70 70 MET CB C 70 33.711 33.019 0.692 1
1 810 . 8 1 1 A 70 70 MET N N 70 117.335 116.514 0.821 1
1 811 . 8 1 1 A 71 71 GLY H H 71 8.107 8.322 -0.215 1
1 812 . 8 1 1 A 71 71 GLY HA2 H 71 3.906 4.064 -0.158 1
1 813 . 8 1 1 A 71 71 GLY HA3 H 71 4.055 4.066 -0.011 1
1 814 . 8 1 1 A 71 71 GLY C C 71 174.255 174.363 -0.108 1
1 815 . 8 1 1 A 71 71 GLY CA C 71 45.852 45.818 0.034 1
1 816 . 8 1 1 A 71 71 GLY N N 71 109.096 107.188 1.908 1
1 817 . 8 1 1 A 72 72 ILE H H 72 8.036 7.756 0.280 1
1 818 . 8 1 1 A 72 72 ILE HA H 72 4.197 4.583 -0.386 1
1 828 . 8 1 1 A 72 72 ILE C C 72 175.712 174.694 1.018 1
1 829 . 8 1 1 A 72 72 ILE CA C 72 60.626 59.705 0.921 1
1 830 . 8 1 1 A 72 72 ILE CB C 72 39.203 40.476 -1.273 1
1 834 . 8 1 1 A 72 72 ILE N N 72 120.615 120.421 0.194 1
1 835 . 8 1 1 A 73 73 GLU H H 73 8.523 8.725 -0.202 1
1 836 . 8 1 1 A 73 73 GLU HA H 73 4.306 4.701 -0.395 1
1 841 . 8 1 1 A 73 73 GLU C C 73 176.417 177.084 -0.667 1
1 842 . 8 1 1 A 73 73 GLU CA C 73 56.551 54.783 1.768 1
1 843 . 8 1 1 A 73 73 GLU CB C 73 30.167 29.605 0.562 1
1 845 . 8 1 1 A 73 73 GLU N N 73 125.837 125.165 0.672 1
1 846 . 8 1 1 A 74 74 VAL H H 74 8.319 8.379 -0.060 1
1 847 . 8 1 1 A 74 74 VAL HA H 74 4.187 3.734 0.453 1
1 855 . 8 1 1 A 74 74 VAL C C 74 176.052 177.216 -1.164 1
1 856 . 8 1 1 A 74 74 VAL CA C 74 62.103 65.261 -3.158 1
1 857 . 8 1 1 A 74 74 VAL CB C 74 33.063 31.619 1.444 1
1 860 . 8 1 1 A 74 74 VAL N N 74 122.642 123.469 -0.827 1
1 861 . 8 1 1 A 75 75 SER H H 75 8.460 7.718 0.742 1
1 862 . 8 1 1 A 75 75 SER HA H 75 4.469 4.475 -0.006 1
1 865 . 8 1 1 A 75 75 SER C C 75 174.547 174.561 -0.014 1
1 866 . 8 1 1 A 75 75 SER CA C 75 58.413 59.406 -0.993 1
1 867 . 8 1 1 A 75 75 SER CB C 75 64.015 64.722 -0.707 1
1 868 . 8 1 1 A 75 75 SER N N 75 120.411 116.487 3.924 1
1 869 . 8 1 1 A 76 76 GLY H H 76 8.307 8.043 0.264 1
1 870 . 8 1 1 A 76 76 GLY HA2 H 76 4.096 4.025 0.071 1
1 871 . 8 1 1 A 76 76 GLY C C 76 171.729 174.157 -2.428 1
1 872 . 8 1 1 A 76 76 GLY CA C 76 44.566 44.759 -0.193 1
1 873 . 8 1 1 A 76 76 GLY N N 76 110.975 107.999 2.976 1
1 874 . 8 1 1 A 77 77 PRO HA H 77 4.508 4.417 0.091 1
1 880 . 8 1 1 A 77 77 PRO CA C 77 63.054 64.696 -1.642 1
1 881 . 8 1 1 A 77 77 PRO CB C 77 32.299 31.944 0.355 1
1 884 . 8 1 1 A 79 79 SER HA H 79 4.507 5.134 -0.627 1
1 887 . 8 1 1 A 79 79 SER C C 79 173.939 173.396 0.543 1
1 888 . 8 1 1 A 79 79 SER CA C 79 58.427 56.258 2.169 1
1 889 . 8 1 1 A 79 79 SER CB C 79 64.293 65.842 -1.549 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.969 4.029 -0.060 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.969 4.030 -0.061 1
1 3 . 9 1 1 A 7 7 GLY C C 7 173.939 174.551 -0.612 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.342 45.439 -0.097 1
1 5 . 9 1 1 A 8 8 ALA H H 8 8.128 7.806 0.322 1
1 6 . 9 1 1 A 8 8 ALA HA H 8 4.329 4.277 0.052 1
1 10 . 9 1 1 A 8 8 ALA C C 8 177.971 177.226 0.745 1
1 11 . 9 1 1 A 8 8 ALA CA C 8 52.565 52.425 0.140 1
1 12 . 9 1 1 A 8 8 ALA CB C 8 19.287 18.962 0.325 1
1 13 . 9 1 1 A 8 8 ALA N N 8 123.703 124.856 -1.153 1
1 14 . 9 1 1 A 9 9 LEU H H 9 8.240 8.397 -0.157 1
1 15 . 9 1 1 A 9 9 LEU HA H 9 4.304 4.167 0.137 1
1 25 . 9 1 1 A 9 9 LEU C C 9 177.655 175.986 1.669 1
1 26 . 9 1 1 A 9 9 LEU CA C 9 55.570 55.915 -0.345 1
1 27 . 9 1 1 A 9 9 LEU CB C 9 42.202 43.120 -0.918 1
1 31 . 9 1 1 A 9 9 LEU N N 9 121.161 125.009 -3.848 1
1 32 . 9 1 1 A 10 10 GLN H H 10 8.305 9.025 -0.720 1
1 33 . 9 1 1 A 10 10 GLN HA H 10 4.313 4.495 -0.182 1
1 40 . 9 1 1 A 10 10 GLN C C 10 175.737 175.006 0.731 1
1 41 . 9 1 1 A 10 10 GLN CA C 10 56.099 57.316 -1.217 1
1 42 . 9 1 1 A 10 10 GLN CB C 10 29.425 31.321 -1.896 1
1 44 . 9 1 1 A 10 10 GLN N N 10 120.538 124.715 -4.177 1
1 46 . 9 1 1 A 11 11 ASP H H 11 8.306 7.837 0.469 1
1 47 . 9 1 1 A 11 11 ASP HA H 11 4.589 4.657 -0.068 1
1 50 . 9 1 1 A 11 11 ASP C C 11 176.319 176.140 0.179 1
1 51 . 9 1 1 A 11 11 ASP CA C 11 54.583 53.979 0.604 1
1 52 . 9 1 1 A 11 11 ASP CB C 11 41.204 41.601 -0.397 1
1 53 . 9 1 1 A 11 11 ASP N N 11 121.418 116.475 4.943 1
1 54 . 9 1 1 A 12 12 ARG H H 12 8.257 8.789 -0.532 1
1 55 . 9 1 1 A 12 12 ARG HA H 12 4.408 4.648 -0.240 1
1 62 . 9 1 1 A 12 12 ARG C C 12 176.295 174.647 1.648 1
1 63 . 9 1 1 A 12 12 ARG CA C 12 56.088 54.650 1.438 1
1 64 . 9 1 1 A 12 12 ARG CB C 12 30.579 29.932 0.647 1
1 67 . 9 1 1 A 12 12 ARG N N 12 121.271 123.784 -2.513 1
1 68 . 9 1 1 A 13 13 THR H H 13 8.189 8.555 -0.366 1
1 69 . 9 1 1 A 13 13 THR HA H 13 4.193 5.047 -0.854 1
1 74 . 9 1 1 A 13 13 THR C C 13 174.121 172.754 1.367 1
1 75 . 9 1 1 A 13 13 THR CA C 13 62.448 60.288 2.160 1
1 76 . 9 1 1 A 13 13 THR CB C 13 69.697 69.891 -0.194 1
1 78 . 9 1 1 A 13 13 THR N N 13 114.810 114.045 0.765 1
1 79 . 9 1 1 A 14 14 GLN H H 14 8.130 8.829 -0.699 1
1 80 . 9 1 1 A 14 14 GLN HA H 14 4.314 4.964 -0.650 1
1 87 . 9 1 1 A 14 14 GLN C C 14 175.275 174.827 0.448 1
1 88 . 9 1 1 A 14 14 GLN CA C 14 55.253 54.193 1.060 1
1 89 . 9 1 1 A 14 14 GLN CB C 14 29.838 32.336 -2.498 1
1 91 . 9 1 1 A 14 14 GLN N N 14 122.533 127.069 -4.536 1
1 93 . 9 1 1 A 15 15 PHE H H 15 8.151 8.908 -0.757 1
1 94 . 9 1 1 A 15 15 PHE HA H 15 5.009 4.854 0.155 1
1 102 . 9 1 1 A 15 15 PHE C C 15 176.465 174.533 1.932 1
1 103 . 9 1 1 A 15 15 PHE CA C 15 57.157 57.752 -0.595 1
1 104 . 9 1 1 A 15 15 PHE CB C 15 40.996 40.882 0.114 1
1 110 . 9 1 1 A 15 15 PHE N N 15 120.835 124.897 -4.062 1
1 111 . 9 1 1 A 16 16 SER H H 16 9.565 8.527 1.038 1
1 112 . 9 1 1 A 16 16 SER HA H 16 4.610 4.960 -0.350 1
1 115 . 9 1 1 A 16 16 SER C C 16 174.547 174.937 -0.390 1
1 116 . 9 1 1 A 16 16 SER CA C 16 56.946 55.914 1.032 1
1 117 . 9 1 1 A 16 16 SER CB C 16 65.545 65.332 0.213 1
1 118 . 9 1 1 A 16 16 SER N N 16 119.442 116.715 2.727 1
1 119 . 9 1 1 A 17 17 ASP H H 17 8.947 9.268 -0.321 1
1 120 . 9 1 1 A 17 17 ASP HA H 17 4.386 4.246 0.140 1
1 123 . 9 1 1 A 17 17 ASP C C 17 179.331 178.225 1.106 1
1 124 . 9 1 1 A 17 17 ASP CA C 17 58.074 58.005 0.069 1
1 125 . 9 1 1 A 17 17 ASP CB C 17 39.875 40.369 -0.494 1
1 126 . 9 1 1 A 17 17 ASP N N 17 120.645 127.539 -6.894 1
1 127 . 9 1 1 A 18 18 ARG H H 18 8.302 8.339 -0.037 1
1 128 . 9 1 1 A 18 18 ARG HA H 18 4.098 3.977 0.121 1
1 135 . 9 1 1 A 18 18 ARG C C 18 178.699 178.730 -0.031 1
1 136 . 9 1 1 A 18 18 ARG CA C 18 59.203 59.611 -0.408 1
1 137 . 9 1 1 A 18 18 ARG CB C 18 29.920 30.171 -0.251 1
1 140 . 9 1 1 A 18 18 ARG N N 18 121.398 119.360 2.038 1
1 141 . 9 1 1 A 19 19 ASP H H 19 7.853 7.904 -0.051 1
1 142 . 9 1 1 A 19 19 ASP HA H 19 4.151 4.312 -0.161 1
1 145 . 9 1 1 A 19 19 ASP C C 19 178.384 178.838 -0.454 1
1 146 . 9 1 1 A 19 19 ASP CA C 19 57.348 57.140 0.208 1
1 147 . 9 1 1 A 19 19 ASP CB C 19 40.392 40.951 -0.559 1
1 148 . 9 1 1 A 19 19 ASP N N 19 122.636 119.965 2.671 1
1 149 . 9 1 1 A 20 20 LEU H H 20 8.335 8.484 -0.149 1
1 150 . 9 1 1 A 20 20 LEU HA H 20 3.635 3.641 -0.006 1
1 160 . 9 1 1 A 20 20 LEU C C 20 179.234 178.748 0.486 1
1 161 . 9 1 1 A 20 20 LEU CA C 20 57.587 57.824 -0.237 1
1 162 . 9 1 1 A 20 20 LEU CB C 20 41.658 41.416 0.242 1
1 166 . 9 1 1 A 20 20 LEU N N 20 118.845 119.676 -0.831 1
1 167 . 9 1 1 A 21 21 ALA H H 21 7.905 8.599 -0.694 1
1 168 . 9 1 1 A 21 21 ALA HA H 21 4.123 4.032 0.091 1
1 172 . 9 1 1 A 21 21 ALA C C 21 181.031 179.843 1.188 1
1 173 . 9 1 1 A 21 21 ALA CA C 21 55.103 55.485 -0.382 1
1 174 . 9 1 1 A 21 21 ALA CB C 21 17.709 18.656 -0.947 1
1 175 . 9 1 1 A 21 21 ALA N N 21 122.007 120.829 1.178 1
1 176 . 9 1 1 A 22 22 THR H H 22 7.886 7.799 0.087 1
1 177 . 9 1 1 A 22 22 THR HA H 22 3.954 3.877 0.077 1
1 182 . 9 1 1 A 22 22 THR C C 22 175.834 176.252 -0.418 1
1 183 . 9 1 1 A 22 22 THR CA C 22 67.081 67.448 -0.367 1
1 184 . 9 1 1 A 22 22 THR CB C 22 68.253 68.720 -0.467 1
1 186 . 9 1 1 A 22 22 THR N N 22 119.042 114.027 5.015 1
1 187 . 9 1 1 A 23 23 LEU H H 23 8.036 8.183 -0.147 1
1 188 . 9 1 1 A 23 23 LEU HA H 23 3.404 3.733 -0.329 1
1 198 . 9 1 1 A 23 23 LEU C C 23 178.335 178.748 -0.413 1
1 199 . 9 1 1 A 23 23 LEU CA C 23 59.230 58.201 1.029 1
1 200 . 9 1 1 A 23 23 LEU CB C 23 39.399 41.282 -1.883 1
1 204 . 9 1 1 A 23 23 LEU N N 23 123.450 120.816 2.634 1
1 205 . 9 1 1 A 24 24 LYS H H 24 8.166 8.207 -0.041 1
1 206 . 9 1 1 A 24 24 LYS HA H 24 4.074 4.048 0.026 1
1 215 . 9 1 1 A 24 24 LYS C C 24 177.631 179.312 -1.681 1
1 216 . 9 1 1 A 24 24 LYS CA C 24 60.367 60.276 0.091 1
1 217 . 9 1 1 A 24 24 LYS CB C 24 32.554 32.426 0.128 1
1 221 . 9 1 1 A 24 24 LYS N N 24 117.974 116.889 1.085 1
1 222 . 9 1 1 A 25 25 LYS H H 25 7.837 7.976 -0.139 1
1 223 . 9 1 1 A 25 25 LYS HA H 25 4.205 4.021 0.184 1
1 232 . 9 1 1 A 25 25 LYS C C 25 179.695 178.543 1.152 1
1 233 . 9 1 1 A 25 25 LYS CA C 25 59.704 59.173 0.531 1
1 234 . 9 1 1 A 25 25 LYS CB C 25 31.816 32.145 -0.329 1
1 238 . 9 1 1 A 25 25 LYS N N 25 120.567 120.811 -0.244 1
1 239 . 9 1 1 A 26 26 TYR H H 26 8.158 8.037 0.121 1
1 240 . 9 1 1 A 26 26 TYR HA H 26 4.089 4.238 -0.149 1
1 247 . 9 1 1 A 26 26 TYR C C 26 180.035 178.690 1.345 1
1 248 . 9 1 1 A 26 26 TYR CA C 26 63.104 60.290 2.814 1
1 249 . 9 1 1 A 26 26 TYR CB C 26 36.926 38.062 -1.136 1
1 254 . 9 1 1 A 26 26 TYR N N 26 118.591 118.465 0.126 1
1 255 . 9 1 1 A 27 27 TRP H H 27 9.294 8.274 1.020 1
1 256 . 9 1 1 A 27 27 TRP HA H 27 4.349 4.343 0.006 1
1 265 . 9 1 1 A 27 27 TRP C C 27 179.209 178.337 0.872 1
1 266 . 9 1 1 A 27 27 TRP CA C 27 61.357 60.816 0.541 1
1 267 . 9 1 1 A 27 27 TRP CB C 27 28.481 29.982 -1.501 1
1 273 . 9 1 1 A 27 27 TRP N N 27 125.036 122.482 2.554 1
1 275 . 9 1 1 A 28 28 ASP H H 28 9.354 8.088 1.266 1
1 276 . 9 1 1 A 28 28 ASP HA H 28 4.479 4.629 -0.150 1
1 279 . 9 1 1 A 28 28 ASP C C 28 176.999 177.717 -0.718 1
1 280 . 9 1 1 A 28 28 ASP CA C 28 57.024 57.432 -0.408 1
1 281 . 9 1 1 A 28 28 ASP CB C 28 39.894 41.468 -1.574 1
1 282 . 9 1 1 A 28 28 ASP N N 28 121.650 119.283 2.367 1
1 283 . 9 1 1 A 29 29 ASN H H 29 7.569 8.217 -0.648 1
1 284 . 9 1 1 A 29 29 ASN HA H 29 4.905 4.909 -0.004 1
1 289 . 9 1 1 A 29 29 ASN C C 29 174.935 175.326 -0.391 1
1 290 . 9 1 1 A 29 29 ASN CA C 29 52.819 52.433 0.386 1
1 291 . 9 1 1 A 29 29 ASN CB C 29 39.320 38.685 0.635 1
1 292 . 9 1 1 A 29 29 ASN N N 29 116.912 116.129 0.783 1
1 294 . 9 1 1 A 30 30 GLY H H 30 7.695 7.755 -0.060 1
1 295 . 9 1 1 A 30 30 GLY HA2 H 30 3.603 3.692 -0.089 1
1 296 . 9 1 1 A 30 30 GLY HA3 H 30 4.489 3.814 0.675 1
1 297 . 9 1 1 A 30 30 GLY C C 30 174.571 175.004 -0.433 1
1 298 . 9 1 1 A 30 30 GLY CA C 30 45.332 46.741 -1.409 1
1 299 . 9 1 1 A 30 30 GLY N N 30 105.356 108.203 -2.847 1
1 300 . 9 1 1 A 31 31 MET H H 31 8.574 7.903 0.671 1
1 301 . 9 1 1 A 31 31 MET HA H 31 4.769 4.052 0.717 1
1 309 . 9 1 1 A 31 31 MET C C 31 173.381 177.838 -4.457 1
1 310 . 9 1 1 A 31 31 MET CA C 31 54.301 58.270 -3.969 1
1 311 . 9 1 1 A 31 31 MET CB C 31 31.899 31.976 -0.077 1
1 314 . 9 1 1 A 31 31 MET N N 31 125.209 121.574 3.635 1
1 315 . 9 1 1 A 32 32 THR H H 32 7.284 7.467 -0.183 1
1 316 . 9 1 1 A 32 32 THR HA H 32 4.003 3.441 0.562 1
1 321 . 9 1 1 A 32 32 THR C C 32 173.721 174.226 -0.505 1
1 322 . 9 1 1 A 32 32 THR CA C 32 59.873 64.529 -4.656 1
1 323 . 9 1 1 A 32 32 THR CB C 32 69.651 67.784 1.867 1
1 325 . 9 1 1 A 32 32 THR N N 32 108.409 114.368 -5.959 1
1 326 . 9 1 1 A 33 33 SER H H 33 7.809 7.554 0.255 1
1 327 . 9 1 1 A 33 33 SER HA H 33 4.614 4.473 0.141 1
1 330 . 9 1 1 A 33 33 SER C C 33 171.608 173.867 -2.259 1
1 331 . 9 1 1 A 33 33 SER CA C 33 56.764 58.541 -1.777 1
1 332 . 9 1 1 A 33 33 SER CB C 33 65.653 64.299 1.354 1
1 333 . 9 1 1 A 33 33 SER N N 33 115.742 115.651 0.091 1
1 334 . 9 1 1 A 34 34 LEU H H 34 8.284 8.669 -0.385 1
1 335 . 9 1 1 A 34 34 LEU HA H 34 4.488 4.230 0.258 1
1 345 . 9 1 1 A 34 34 LEU C C 34 178.335 177.540 0.795 1
1 346 . 9 1 1 A 34 34 LEU CA C 34 54.583 57.035 -2.452 1
1 347 . 9 1 1 A 34 34 LEU CB C 34 41.872 41.947 -0.075 1
1 351 . 9 1 1 A 34 34 LEU N N 34 116.566 125.975 -9.409 1
1 352 . 9 1 1 A 35 35 GLY H H 35 8.159 8.010 0.149 1
1 353 . 9 1 1 A 35 35 GLY HA2 H 35 4.239 3.797 0.442 1
1 354 . 9 1 1 A 35 35 GLY HA3 H 35 3.949 3.802 0.147 1
1 355 . 9 1 1 A 35 35 GLY C C 35 175.299 175.076 0.223 1
1 356 . 9 1 1 A 35 35 GLY CA C 35 44.707 47.047 -2.340 1
1 357 . 9 1 1 A 35 35 GLY N N 35 106.688 107.822 -1.134 1
1 358 . 9 1 1 A 36 36 SER HA H 36 4.123 4.652 -0.529 1
1 360 . 9 1 1 A 36 36 SER CA C 36 61.785 59.582 2.203 1
1 361 . 9 1 1 A 36 36 SER CB C 36 62.793 64.957 -2.164 1
1 362 . 9 1 1 A 37 37 VAL HA H 37 4.155 3.734 0.421 1
1 370 . 9 1 1 A 37 37 VAL C C 37 177.048 177.460 -0.412 1
1 371 . 9 1 1 A 37 37 VAL CA C 37 64.423 65.177 -0.754 1
1 372 . 9 1 1 A 37 37 VAL CB C 37 31.486 30.990 0.496 1
1 375 . 9 1 1 A 38 38 CYS H H 38 7.746 8.089 -0.343 1
1 376 . 9 1 1 A 38 38 CYS HA H 38 4.787 4.327 0.460 1
1 379 . 9 1 1 A 38 38 CYS C C 38 174.522 177.120 -2.598 1
1 380 . 9 1 1 A 38 38 CYS CA C 38 59.344 62.402 -3.058 1
1 381 . 9 1 1 A 38 38 CYS CB C 38 29.261 27.352 1.909 1
1 382 . 9 1 1 A 38 38 CYS N N 38 116.501 119.419 -2.918 1
1 383 . 9 1 1 A 39 39 ARG H H 39 7.633 7.698 -0.065 1
1 384 . 9 1 1 A 39 39 ARG HA H 39 3.847 3.919 -0.072 1
1 390 . 9 1 1 A 39 39 ARG C C 39 177.315 178.041 -0.726 1
1 391 . 9 1 1 A 39 39 ARG CA C 39 60.952 59.403 1.549 1
1 392 . 9 1 1 A 39 39 ARG CB C 39 30.332 30.045 0.287 1
1 395 . 9 1 1 A 39 39 ARG N N 39 122.520 122.427 0.093 1
1 396 . 9 1 1 A 40 40 GLU H H 40 8.827 7.928 0.899 1
1 397 . 9 1 1 A 40 40 GLU HA H 40 4.070 4.054 0.016 1
1 402 . 9 1 1 A 40 40 GLU C C 40 179.719 179.019 0.700 1
1 403 . 9 1 1 A 40 40 GLU CA C 40 60.065 59.365 0.700 1
1 404 . 9 1 1 A 40 40 GLU CB C 40 29.094 29.329 -0.235 1
1 406 . 9 1 1 A 40 40 GLU N N 40 116.909 117.250 -0.341 1
1 407 . 9 1 1 A 41 41 LYS H H 41 7.660 7.736 -0.076 1
1 408 . 9 1 1 A 41 41 LYS HA H 41 4.293 3.998 0.295 1
1 416 . 9 1 1 A 41 41 LYS C C 41 176.854 179.143 -2.289 1
1 417 . 9 1 1 A 41 41 LYS CA C 41 59.908 59.110 0.798 1
1 418 . 9 1 1 A 41 41 LYS CB C 41 33.704 32.504 1.200 1
1 422 . 9 1 1 A 41 41 LYS N N 41 120.497 119.541 0.956 1
1 423 . 9 1 1 A 42 42 ILE H H 42 8.050 8.099 -0.049 1
1 424 . 9 1 1 A 42 42 ILE HA H 42 3.756 3.595 0.161 1
1 434 . 9 1 1 A 42 42 ILE C C 42 177.607 177.779 -0.172 1
1 435 . 9 1 1 A 42 42 ILE CA C 42 65.460 64.999 0.461 1
1 436 . 9 1 1 A 42 42 ILE CB C 42 38.516 37.397 1.119 1
1 440 . 9 1 1 A 42 42 ILE N N 42 119.276 120.732 -1.456 1
1 441 . 9 1 1 A 43 43 GLU H H 43 8.142 8.211 -0.069 1
1 442 . 9 1 1 A 43 43 GLU HA H 43 4.011 4.020 -0.009 1
1 447 . 9 1 1 A 43 43 GLU C C 43 179.477 178.679 0.798 1
1 448 . 9 1 1 A 43 43 GLU CA C 43 59.340 59.250 0.090 1
1 449 . 9 1 1 A 43 43 GLU CB C 43 29.425 29.193 0.232 1
1 451 . 9 1 1 A 43 43 GLU N N 43 116.432 120.776 -4.344 1
1 452 . 9 1 1 A 44 44 ALA H H 44 8.053 8.169 -0.116 1
1 453 . 9 1 1 A 44 44 ALA HA H 44 4.217 4.193 0.024 1
1 457 . 9 1 1 A 44 44 ALA C C 44 180.958 178.967 1.991 1
1 458 . 9 1 1 A 44 44 ALA CA C 44 55.453 54.766 0.687 1
1 459 . 9 1 1 A 44 44 ALA CB C 44 18.553 19.417 -0.864 1
1 460 . 9 1 1 A 44 44 ALA N N 44 122.819 122.920 -0.101 1
1 461 . 9 1 1 A 45 45 VAL H H 45 8.400 7.307 1.093 1
1 462 . 9 1 1 A 45 45 VAL HA H 45 3.530 3.578 -0.048 1
1 470 . 9 1 1 A 45 45 VAL C C 45 176.465 177.159 -0.694 1
1 471 . 9 1 1 A 45 45 VAL CA C 45 65.075 64.659 0.416 1
1 472 . 9 1 1 A 45 45 VAL CB C 45 29.673 30.846 -1.173 1
1 475 . 9 1 1 A 45 45 VAL N N 45 120.862 116.901 3.961 1
1 476 . 9 1 1 A 46 46 ALA H H 46 8.225 7.840 0.385 1
1 477 . 9 1 1 A 46 46 ALA HA H 46 3.787 4.053 -0.266 1
1 481 . 9 1 1 A 46 46 ALA C C 46 180.205 179.648 0.557 1
1 482 . 9 1 1 A 46 46 ALA CA C 46 55.753 55.269 0.484 1
1 483 . 9 1 1 A 46 46 ALA CB C 46 18.516 18.584 -0.068 1
1 484 . 9 1 1 A 46 46 ALA N N 46 125.827 123.879 1.948 1
1 485 . 9 1 1 A 47 47 THR H H 47 7.850 7.551 0.299 1
1 486 . 9 1 1 A 47 47 THR HA H 47 4.084 4.006 0.078 1
1 491 . 9 1 1 A 47 47 THR C C 47 177.339 176.383 0.956 1
1 492 . 9 1 1 A 47 47 THR CA C 47 66.492 64.741 1.751 1
1 493 . 9 1 1 A 47 47 THR CB C 47 68.772 68.986 -0.214 1
1 495 . 9 1 1 A 47 47 THR N N 47 113.467 112.530 0.937 1
1 496 . 9 1 1 A 48 48 GLU H H 48 8.050 8.196 -0.146 1
1 497 . 9 1 1 A 48 48 GLU HA H 48 4.001 4.077 -0.076 1
1 502 . 9 1 1 A 48 48 GLU C C 48 178.457 178.308 0.149 1
1 503 . 9 1 1 A 48 48 GLU CA C 48 60.174 58.583 1.591 1
1 504 . 9 1 1 A 48 48 GLU CB C 48 29.719 29.687 0.032 1
1 506 . 9 1 1 A 48 48 GLU N N 48 123.295 120.836 2.459 1
1 507 . 9 1 1 A 49 49 LEU H H 49 8.198 7.645 0.553 1
1 508 . 9 1 1 A 49 49 LEU HA H 49 4.215 4.278 -0.063 1
1 518 . 9 1 1 A 49 49 LEU C C 49 176.344 175.913 0.431 1
1 519 . 9 1 1 A 49 49 LEU CA C 49 55.050 54.906 0.144 1
1 520 . 9 1 1 A 49 49 LEU CB C 49 42.861 41.824 1.037 1
1 524 . 9 1 1 A 49 49 LEU N N 49 115.963 118.049 -2.086 1
1 525 . 9 1 1 A 50 50 ASN H H 50 8.008 8.008 0.000 1
1 526 . 9 1 1 A 50 50 ASN HA H 50 4.411 4.267 0.144 1
1 531 . 9 1 1 A 50 50 ASN C C 50 174.522 173.672 0.850 1
1 532 . 9 1 1 A 50 50 ASN CA C 50 54.159 54.562 -0.403 1
1 533 . 9 1 1 A 50 50 ASN CB C 50 37.446 36.706 0.740 1
1 534 . 9 1 1 A 50 50 ASN N N 50 118.398 115.757 2.641 1
1 536 . 9 1 1 A 51 51 VAL H H 51 8.240 7.784 0.456 1
1 537 . 9 1 1 A 51 51 VAL HA H 51 4.792 4.826 -0.034 1
1 545 . 9 1 1 A 51 51 VAL C C 51 174.619 174.542 0.077 1
1 546 . 9 1 1 A 51 51 VAL CA C 51 58.674 58.770 -0.096 1
1 547 . 9 1 1 A 51 51 VAL CB C 51 36.102 35.544 0.558 1
1 550 . 9 1 1 A 51 51 VAL N N 51 110.142 110.859 -0.717 1
1 551 . 9 1 1 A 52 52 ASP H H 52 8.164 8.718 -0.554 1
1 552 . 9 1 1 A 52 52 ASP HA H 52 4.597 4.402 0.195 1
1 555 . 9 1 1 A 52 52 ASP C C 52 178.262 177.399 0.863 1
1 556 . 9 1 1 A 52 52 ASP CA C 52 54.423 54.978 -0.555 1
1 557 . 9 1 1 A 52 52 ASP CB C 52 43.200 42.313 0.887 1
1 558 . 9 1 1 A 52 52 ASP N N 52 120.019 124.204 -4.185 1
1 559 . 9 1 1 A 53 53 CYS H H 53 8.967 8.944 0.023 1
1 560 . 9 1 1 A 53 53 CYS HA H 53 3.862 4.011 -0.149 1
1 563 . 9 1 1 A 53 53 CYS C C 53 176.975 176.953 0.022 1
1 564 . 9 1 1 A 53 53 CYS CA C 53 63.438 62.587 0.851 1
1 565 . 9 1 1 A 53 53 CYS CB C 53 27.358 27.020 0.338 1
1 566 . 9 1 1 A 53 53 CYS N N 53 122.121 124.860 -2.739 1
1 567 . 9 1 1 A 54 54 GLU H H 54 9.357 8.327 1.030 1
1 568 . 9 1 1 A 54 54 GLU HA H 54 4.083 4.086 -0.003 1
1 573 . 9 1 1 A 54 54 GLU C C 54 179.064 179.311 -0.247 1
1 574 . 9 1 1 A 54 54 GLU CA C 54 59.626 59.465 0.161 1
1 575 . 9 1 1 A 54 54 GLU CB C 54 29.178 29.327 -0.149 1
1 577 . 9 1 1 A 54 54 GLU N N 54 120.121 120.917 -0.796 1
1 578 . 9 1 1 A 55 55 ILE H H 55 7.650 8.468 -0.818 1
1 579 . 9 1 1 A 55 55 ILE HA H 55 4.005 3.818 0.187 1
1 589 . 9 1 1 A 55 55 ILE C C 55 179.331 178.570 0.761 1
1 590 . 9 1 1 A 55 55 ILE CA C 55 63.558 65.315 -1.757 1
1 591 . 9 1 1 A 55 55 ILE CB C 55 36.988 37.954 -0.966 1
1 595 . 9 1 1 A 55 55 ILE N N 55 119.061 120.149 -1.088 1
1 596 . 9 1 1 A 56 56 VAL H H 56 6.973 7.811 -0.838 1
1 597 . 9 1 1 A 56 56 VAL HA H 56 3.651 3.829 -0.178 1
1 605 . 9 1 1 A 56 56 VAL C C 56 177.874 178.175 -0.301 1
1 606 . 9 1 1 A 56 56 VAL CA C 56 66.847 66.110 0.737 1
1 607 . 9 1 1 A 56 56 VAL CB C 56 31.486 31.648 -0.162 1
1 610 . 9 1 1 A 56 56 VAL N N 56 121.206 120.786 0.420 1
1 611 . 9 1 1 A 57 57 ARG H H 57 8.508 8.326 0.182 1
1 612 . 9 1 1 A 57 57 ARG HA H 57 3.928 4.048 -0.120 1
1 618 . 9 1 1 A 57 57 ARG C C 57 179.282 178.999 0.283 1
1 619 . 9 1 1 A 57 57 ARG CA C 57 61.095 59.687 1.408 1
1 620 . 9 1 1 A 57 57 ARG CB C 57 30.261 30.089 0.172 1
1 623 . 9 1 1 A 57 57 ARG N N 57 118.801 119.306 -0.505 1
1 624 . 9 1 1 A 58 58 THR H H 58 8.528 7.978 0.550 1
1 625 . 9 1 1 A 58 58 THR HA H 58 4.013 3.997 0.016 1
1 630 . 9 1 1 A 58 58 THR C C 58 175.518 176.158 -0.640 1
1 631 . 9 1 1 A 58 58 THR CA C 58 66.879 66.468 0.411 1
1 632 . 9 1 1 A 58 58 THR CB C 58 68.826 68.357 0.469 1
1 634 . 9 1 1 A 58 58 THR N N 58 117.805 117.209 0.596 1
1 635 . 9 1 1 A 59 59 TRP H H 59 7.904 8.171 -0.267 1
1 636 . 9 1 1 A 59 59 TRP HA H 59 4.228 4.427 -0.199 1
1 645 . 9 1 1 A 59 59 TRP C C 59 179.015 178.588 0.427 1
1 646 . 9 1 1 A 59 59 TRP CA C 59 63.377 61.424 1.953 1
1 647 . 9 1 1 A 59 59 TRP CB C 59 28.280 29.673 -1.393 1
1 653 . 9 1 1 A 59 59 TRP N N 59 124.326 123.779 0.547 1
1 655 . 9 1 1 A 60 60 ILE H H 60 8.799 8.489 0.310 1
1 656 . 9 1 1 A 60 60 ILE HA H 60 3.461 3.437 0.024 1
1 666 . 9 1 1 A 60 60 ILE C C 60 178.481 177.821 0.660 1
1 667 . 9 1 1 A 60 60 ILE CA C 60 65.878 65.082 0.796 1
1 668 . 9 1 1 A 60 60 ILE CB C 60 39.399 38.166 1.233 1
1 672 . 9 1 1 A 60 60 ILE N N 60 119.831 119.645 0.186 1
1 673 . 9 1 1 A 61 61 GLY H H 61 8.659 7.802 0.857 1
1 674 . 9 1 1 A 61 61 GLY HA2 H 61 3.705 3.747 -0.042 1
1 675 . 9 1 1 A 61 61 GLY HA3 H 61 4.118 3.770 0.348 1
1 676 . 9 1 1 A 61 61 GLY C C 61 176.878 175.655 1.223 1
1 677 . 9 1 1 A 61 61 GLY CA C 61 47.388 47.328 0.060 1
1 678 . 9 1 1 A 61 61 GLY N N 61 106.205 107.852 -1.647 1
1 679 . 9 1 1 A 62 62 ASN H H 62 8.408 7.776 0.632 1
1 680 . 9 1 1 A 62 62 ASN HA H 62 4.452 4.390 0.062 1
1 685 . 9 1 1 A 62 62 ASN C C 62 177.461 178.204 -0.743 1
1 686 . 9 1 1 A 62 62 ASN CA C 62 55.480 55.825 -0.345 1
1 687 . 9 1 1 A 62 62 ASN CB C 62 37.951 37.761 0.190 1
1 688 . 9 1 1 A 62 62 ASN N N 62 120.644 119.719 0.925 1
1 690 . 9 1 1 A 63 63 ARG H H 63 7.816 7.588 0.228 1
1 691 . 9 1 1 A 63 63 ARG HA H 63 3.544 4.091 -0.547 1
1 698 . 9 1 1 A 63 63 ARG C C 63 178.189 179.322 -1.133 1
1 699 . 9 1 1 A 63 63 ARG CA C 63 59.219 59.454 -0.235 1
1 700 . 9 1 1 A 63 63 ARG CB C 63 29.077 29.625 -0.548 1
1 703 . 9 1 1 A 63 63 ARG N N 63 124.207 119.591 4.616 1
1 704 . 9 1 1 A 64 64 ARG H H 64 8.578 7.879 0.699 1
1 705 . 9 1 1 A 64 64 ARG HA H 64 4.057 4.060 -0.003 1
1 712 . 9 1 1 A 64 64 ARG C C 64 179.039 178.703 0.336 1
1 713 . 9 1 1 A 64 64 ARG CA C 64 60.190 60.115 0.075 1
1 714 . 9 1 1 A 64 64 ARG CB C 64 30.579 29.902 0.677 1
1 717 . 9 1 1 A 64 64 ARG N N 64 117.839 119.257 -1.418 1
1 718 . 9 1 1 A 65 65 ARG H H 65 7.712 7.769 -0.057 1
1 719 . 9 1 1 A 65 65 ARG HA H 65 4.091 4.114 -0.023 1
1 726 . 9 1 1 A 65 65 ARG C C 65 178.214 178.188 0.026 1
1 727 . 9 1 1 A 65 65 ARG CA C 65 59.556 58.930 0.626 1
1 728 . 9 1 1 A 65 65 ARG CB C 65 30.167 29.765 0.402 1
1 731 . 9 1 1 A 65 65 ARG N N 65 118.827 119.532 -0.705 1
1 732 . 9 1 1 A 66 66 LYS H H 66 7.848 8.075 -0.227 1
1 733 . 9 1 1 A 66 66 LYS HA H 66 3.997 4.065 -0.068 1
1 741 . 9 1 1 A 66 66 LYS C C 66 178.481 178.128 0.353 1
1 742 . 9 1 1 A 66 66 LYS CA C 66 59.110 58.727 0.383 1
1 743 . 9 1 1 A 66 66 LYS CB C 66 32.226 32.512 -0.286 1
1 747 . 9 1 1 A 66 66 LYS N N 66 120.251 119.310 0.941 1
1 748 . 9 1 1 A 67 67 TYR H H 67 8.324 8.002 0.322 1
1 749 . 9 1 1 A 67 67 TYR HA H 67 4.274 4.426 -0.152 1
1 756 . 9 1 1 A 67 67 TYR C C 67 177.412 178.362 -0.950 1
1 757 . 9 1 1 A 67 67 TYR CA C 67 60.576 60.094 0.482 1
1 758 . 9 1 1 A 67 67 TYR CB C 67 37.043 39.282 -2.239 1
1 763 . 9 1 1 A 67 67 TYR N N 67 118.725 117.850 0.875 1
1 764 . 9 1 1 A 68 68 ARG H H 68 8.084 8.490 -0.406 1
1 765 . 9 1 1 A 68 68 ARG HA H 68 4.218 4.148 0.070 1
1 772 . 9 1 1 A 68 68 ARG C C 68 179.209 178.591 0.618 1
1 773 . 9 1 1 A 68 68 ARG CA C 68 58.616 59.135 -0.519 1
1 774 . 9 1 1 A 68 68 ARG CB C 68 29.343 30.039 -0.696 1
1 777 . 9 1 1 A 68 68 ARG N N 68 119.763 119.799 -0.036 1
1 778 . 9 1 1 A 69 69 LEU H H 69 8.168 7.939 0.229 1
1 779 . 9 1 1 A 69 69 LEU HA H 69 4.244 4.042 0.202 1
1 789 . 9 1 1 A 69 69 LEU C C 69 178.457 178.266 0.191 1
1 790 . 9 1 1 A 69 69 LEU CA C 69 56.981 57.977 -0.996 1
1 791 . 9 1 1 A 69 69 LEU CB C 69 41.955 41.692 0.263 1
1 795 . 9 1 1 A 69 69 LEU N N 69 120.874 120.901 -0.027 1
1 796 . 9 1 1 A 70 70 MET H H 70 7.942 7.678 0.264 1
1 797 . 9 1 1 A 70 70 MET HA H 70 4.440 4.504 -0.064 1
1 805 . 9 1 1 A 70 70 MET C C 70 176.417 176.333 0.084 1
1 806 . 9 1 1 A 70 70 MET CA C 70 55.958 55.686 0.272 1
1 807 . 9 1 1 A 70 70 MET CB C 70 33.711 33.263 0.448 1
1 810 . 9 1 1 A 70 70 MET N N 70 117.335 117.438 -0.103 1
1 811 . 9 1 1 A 71 71 GLY H H 71 8.107 7.922 0.185 1
1 812 . 9 1 1 A 71 71 GLY HA2 H 71 3.906 3.985 -0.079 1
1 813 . 9 1 1 A 71 71 GLY HA3 H 71 4.055 3.997 0.058 1
1 814 . 9 1 1 A 71 71 GLY C C 71 174.255 174.586 -0.331 1
1 815 . 9 1 1 A 71 71 GLY CA C 71 45.852 45.798 0.054 1
1 816 . 9 1 1 A 71 71 GLY N N 71 109.096 107.367 1.729 1
1 817 . 9 1 1 A 72 72 ILE H H 72 8.036 7.367 0.669 1
1 818 . 9 1 1 A 72 72 ILE HA H 72 4.197 4.465 -0.268 1
1 828 . 9 1 1 A 72 72 ILE C C 72 175.712 175.030 0.682 1
1 829 . 9 1 1 A 72 72 ILE CA C 72 60.626 60.143 0.483 1
1 830 . 9 1 1 A 72 72 ILE CB C 72 39.203 36.167 3.036 1
1 834 . 9 1 1 A 72 72 ILE N N 72 120.615 121.113 -0.498 1
1 835 . 9 1 1 A 73 73 GLU H H 73 8.523 8.329 0.194 1
1 836 . 9 1 1 A 73 73 GLU HA H 73 4.306 3.957 0.349 1
1 841 . 9 1 1 A 73 73 GLU C C 73 176.417 174.925 1.492 1
1 842 . 9 1 1 A 73 73 GLU CA C 73 56.551 57.343 -0.792 1
1 843 . 9 1 1 A 73 73 GLU CB C 73 30.167 27.705 2.462 1
1 845 . 9 1 1 A 73 73 GLU N N 73 125.837 116.701 9.136 1
1 846 . 9 1 1 A 74 74 VAL H H 74 8.319 7.979 0.340 1
1 847 . 9 1 1 A 74 74 VAL HA H 74 4.187 4.450 -0.263 1
1 855 . 9 1 1 A 74 74 VAL C C 74 176.052 175.040 1.012 1
1 856 . 9 1 1 A 74 74 VAL CA C 74 62.103 61.124 0.979 1
1 857 . 9 1 1 A 74 74 VAL CB C 74 33.063 32.882 0.181 1
1 860 . 9 1 1 A 74 74 VAL N N 74 122.642 119.050 3.592 1
1 861 . 9 1 1 A 75 75 SER H H 75 8.460 7.832 0.628 1
1 862 . 9 1 1 A 75 75 SER HA H 75 4.469 5.008 -0.539 1
1 865 . 9 1 1 A 75 75 SER C C 75 174.547 172.717 1.830 1
1 866 . 9 1 1 A 75 75 SER CA C 75 58.413 56.566 1.847 1
1 867 . 9 1 1 A 75 75 SER CB C 75 64.015 63.749 0.266 1
1 868 . 9 1 1 A 75 75 SER N N 75 120.411 117.224 3.187 1
1 869 . 9 1 1 A 76 76 GLY H H 76 8.307 8.961 -0.654 1
1 870 . 9 1 1 A 76 76 GLY HA2 H 76 4.096 4.187 -0.091 1
1 871 . 9 1 1 A 76 76 GLY C C 76 171.729 174.080 -2.351 1
1 872 . 9 1 1 A 76 76 GLY CA C 76 44.566 46.347 -1.781 1
1 873 . 9 1 1 A 76 76 GLY N N 76 110.975 112.595 -1.620 1
1 874 . 9 1 1 A 77 77 PRO HA H 77 4.508 4.362 0.146 1
1 880 . 9 1 1 A 77 77 PRO CA C 77 63.054 64.511 -1.457 1
1 881 . 9 1 1 A 77 77 PRO CB C 77 32.299 31.866 0.433 1
1 884 . 9 1 1 A 79 79 SER HA H 79 4.507 4.544 -0.037 1
1 887 . 9 1 1 A 79 79 SER C C 79 173.939 174.877 -0.938 1
1 888 . 9 1 1 A 79 79 SER CA C 79 58.427 57.709 0.718 1
1 889 . 9 1 1 A 79 79 SER CB C 79 64.293 63.179 1.114 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.969 4.159 -0.190 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.969 4.160 -0.191 1
1 3 . 10 1 1 A 7 7 GLY C C 7 173.939 172.719 1.220 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.342 45.071 0.271 1
1 5 . 10 1 1 A 8 8 ALA H H 8 8.128 8.783 -0.655 1
1 6 . 10 1 1 A 8 8 ALA HA H 8 4.329 4.268 0.061 1
1 10 . 10 1 1 A 8 8 ALA C C 8 177.971 176.713 1.258 1
1 11 . 10 1 1 A 8 8 ALA CA C 8 52.565 52.270 0.295 1
1 12 . 10 1 1 A 8 8 ALA CB C 8 19.287 20.045 -0.758 1
1 13 . 10 1 1 A 8 8 ALA N N 8 123.703 127.179 -3.476 1
1 14 . 10 1 1 A 9 9 LEU H H 9 8.240 8.788 -0.548 1
1 15 . 10 1 1 A 9 9 LEU HA H 9 4.304 4.416 -0.112 1
1 25 . 10 1 1 A 9 9 LEU C C 9 177.655 177.262 0.393 1
1 26 . 10 1 1 A 9 9 LEU CA C 9 55.570 56.095 -0.525 1
1 27 . 10 1 1 A 9 9 LEU CB C 9 42.202 42.891 -0.689 1
1 31 . 10 1 1 A 9 9 LEU N N 9 121.161 118.785 2.376 1
1 32 . 10 1 1 A 10 10 GLN H H 10 8.305 8.119 0.186 1
1 33 . 10 1 1 A 10 10 GLN HA H 10 4.313 3.928 0.385 1
1 40 . 10 1 1 A 10 10 GLN C C 10 175.737 174.209 1.528 1
1 41 . 10 1 1 A 10 10 GLN CA C 10 56.099 56.993 -0.894 1
1 42 . 10 1 1 A 10 10 GLN CB C 10 29.425 27.320 2.105 1
1 44 . 10 1 1 A 10 10 GLN N N 10 120.538 118.778 1.760 1
1 46 . 10 1 1 A 11 11 ASP H H 11 8.306 8.104 0.202 1
1 47 . 10 1 1 A 11 11 ASP HA H 11 4.589 4.937 -0.348 1
1 50 . 10 1 1 A 11 11 ASP C C 11 176.319 175.602 0.717 1
1 51 . 10 1 1 A 11 11 ASP CA C 11 54.583 52.989 1.594 1
1 52 . 10 1 1 A 11 11 ASP CB C 11 41.204 42.624 -1.420 1
1 53 . 10 1 1 A 11 11 ASP N N 11 121.418 119.146 2.272 1
1 54 . 10 1 1 A 12 12 ARG H H 12 8.257 8.451 -0.194 1
1 55 . 10 1 1 A 12 12 ARG HA H 12 4.408 4.565 -0.157 1
1 62 . 10 1 1 A 12 12 ARG C C 12 176.295 174.992 1.303 1
1 63 . 10 1 1 A 12 12 ARG CA C 12 56.088 55.576 0.512 1
1 64 . 10 1 1 A 12 12 ARG CB C 12 30.579 30.103 0.476 1
1 67 . 10 1 1 A 12 12 ARG N N 12 121.271 120.426 0.845 1
1 68 . 10 1 1 A 13 13 THR H H 13 8.189 8.711 -0.522 1
1 69 . 10 1 1 A 13 13 THR HA H 13 4.193 5.166 -0.973 1
1 74 . 10 1 1 A 13 13 THR C C 13 174.121 173.345 0.776 1
1 75 . 10 1 1 A 13 13 THR CA C 13 62.448 60.500 1.948 1
1 76 . 10 1 1 A 13 13 THR CB C 13 69.697 70.207 -0.510 1
1 78 . 10 1 1 A 13 13 THR N N 13 114.810 114.717 0.093 1
1 79 . 10 1 1 A 14 14 GLN H H 14 8.130 8.662 -0.532 1
1 80 . 10 1 1 A 14 14 GLN HA H 14 4.314 4.593 -0.279 1
1 87 . 10 1 1 A 14 14 GLN C C 14 175.275 175.540 -0.265 1
1 88 . 10 1 1 A 14 14 GLN CA C 14 55.253 55.889 -0.636 1
1 89 . 10 1 1 A 14 14 GLN CB C 14 29.838 30.144 -0.306 1
1 91 . 10 1 1 A 14 14 GLN N N 14 122.533 126.825 -4.292 1
1 93 . 10 1 1 A 15 15 PHE H H 15 8.151 8.874 -0.723 1
1 94 . 10 1 1 A 15 15 PHE HA H 15 5.009 4.978 0.031 1
1 102 . 10 1 1 A 15 15 PHE C C 15 176.465 174.578 1.887 1
1 103 . 10 1 1 A 15 15 PHE CA C 15 57.157 57.155 0.002 1
1 104 . 10 1 1 A 15 15 PHE CB C 15 40.996 41.497 -0.501 1
1 110 . 10 1 1 A 15 15 PHE N N 15 120.835 120.520 0.315 1
1 111 . 10 1 1 A 16 16 SER H H 16 9.565 8.676 0.889 1
1 112 . 10 1 1 A 16 16 SER HA H 16 4.610 4.937 -0.327 1
1 115 . 10 1 1 A 16 16 SER C C 16 174.547 175.010 -0.463 1
1 116 . 10 1 1 A 16 16 SER CA C 16 56.946 55.972 0.974 1
1 117 . 10 1 1 A 16 16 SER CB C 16 65.545 65.365 0.180 1
1 118 . 10 1 1 A 16 16 SER N N 16 119.442 116.749 2.693 1
1 119 . 10 1 1 A 17 17 ASP H H 17 8.947 9.168 -0.221 1
1 120 . 10 1 1 A 17 17 ASP HA H 17 4.386 4.278 0.108 1
1 123 . 10 1 1 A 17 17 ASP C C 17 179.331 178.237 1.094 1
1 124 . 10 1 1 A 17 17 ASP CA C 17 58.074 58.012 0.062 1
1 125 . 10 1 1 A 17 17 ASP CB C 17 39.875 40.216 -0.341 1
1 126 . 10 1 1 A 17 17 ASP N N 17 120.645 126.953 -6.308 1
1 127 . 10 1 1 A 18 18 ARG H H 18 8.302 7.970 0.332 1
1 128 . 10 1 1 A 18 18 ARG HA H 18 4.098 4.069 0.029 1
1 135 . 10 1 1 A 18 18 ARG C C 18 178.699 178.853 -0.154 1
1 136 . 10 1 1 A 18 18 ARG CA C 18 59.203 59.251 -0.048 1
1 137 . 10 1 1 A 18 18 ARG CB C 18 29.920 29.965 -0.045 1
1 140 . 10 1 1 A 18 18 ARG N N 18 121.398 119.760 1.638 1
1 141 . 10 1 1 A 19 19 ASP H H 19 7.853 8.047 -0.194 1
1 142 . 10 1 1 A 19 19 ASP HA H 19 4.151 4.247 -0.096 1
1 145 . 10 1 1 A 19 19 ASP C C 19 178.384 178.806 -0.422 1
1 146 . 10 1 1 A 19 19 ASP CA C 19 57.348 57.066 0.282 1
1 147 . 10 1 1 A 19 19 ASP CB C 19 40.392 40.825 -0.433 1
1 148 . 10 1 1 A 19 19 ASP N N 19 122.636 119.879 2.757 1
1 149 . 10 1 1 A 20 20 LEU H H 20 8.335 8.449 -0.114 1
1 150 . 10 1 1 A 20 20 LEU HA H 20 3.635 3.502 0.133 1
1 160 . 10 1 1 A 20 20 LEU C C 20 179.234 178.650 0.584 1
1 161 . 10 1 1 A 20 20 LEU CA C 20 57.587 57.724 -0.137 1
1 162 . 10 1 1 A 20 20 LEU CB C 20 41.658 41.426 0.232 1
1 166 . 10 1 1 A 20 20 LEU N N 20 118.845 119.464 -0.619 1
1 167 . 10 1 1 A 21 21 ALA H H 21 7.905 8.326 -0.421 1
1 168 . 10 1 1 A 21 21 ALA HA H 21 4.123 4.006 0.117 1
1 172 . 10 1 1 A 21 21 ALA C C 21 181.031 179.817 1.214 1
1 173 . 10 1 1 A 21 21 ALA CA C 21 55.103 55.392 -0.289 1
1 174 . 10 1 1 A 21 21 ALA CB C 21 17.709 18.407 -0.698 1
1 175 . 10 1 1 A 21 21 ALA N N 21 122.007 120.263 1.744 1
1 176 . 10 1 1 A 22 22 THR H H 22 7.886 7.657 0.229 1
1 177 . 10 1 1 A 22 22 THR HA H 22 3.954 3.962 -0.008 1
1 182 . 10 1 1 A 22 22 THR C C 22 175.834 176.726 -0.892 1
1 183 . 10 1 1 A 22 22 THR CA C 22 67.081 66.633 0.448 1
1 184 . 10 1 1 A 22 22 THR CB C 22 68.253 67.970 0.283 1
1 186 . 10 1 1 A 22 22 THR N N 22 119.042 113.889 5.153 1
1 187 . 10 1 1 A 23 23 LEU H H 23 8.036 8.369 -0.333 1
1 188 . 10 1 1 A 23 23 LEU HA H 23 3.404 3.624 -0.220 1
1 198 . 10 1 1 A 23 23 LEU C C 23 178.335 178.923 -0.588 1
1 199 . 10 1 1 A 23 23 LEU CA C 23 59.230 58.149 1.081 1
1 200 . 10 1 1 A 23 23 LEU CB C 23 39.399 40.687 -1.288 1
1 204 . 10 1 1 A 23 23 LEU N N 23 123.450 121.116 2.334 1
1 205 . 10 1 1 A 24 24 LYS H H 24 8.166 7.850 0.316 1
1 206 . 10 1 1 A 24 24 LYS HA H 24 4.074 4.418 -0.344 1
1 215 . 10 1 1 A 24 24 LYS C C 24 177.631 178.691 -1.060 1
1 216 . 10 1 1 A 24 24 LYS CA C 24 60.367 59.494 0.873 1
1 217 . 10 1 1 A 24 24 LYS CB C 24 32.554 32.222 0.332 1
1 221 . 10 1 1 A 24 24 LYS N N 24 117.974 118.060 -0.086 1
1 222 . 10 1 1 A 25 25 LYS H H 25 7.837 7.707 0.130 1
1 223 . 10 1 1 A 25 25 LYS HA H 25 4.205 4.080 0.125 1
1 232 . 10 1 1 A 25 25 LYS C C 25 179.695 178.379 1.316 1
1 233 . 10 1 1 A 25 25 LYS CA C 25 59.704 59.430 0.274 1
1 234 . 10 1 1 A 25 25 LYS CB C 25 31.816 32.123 -0.307 1
1 238 . 10 1 1 A 25 25 LYS N N 25 120.567 119.717 0.850 1
1 239 . 10 1 1 A 26 26 TYR H H 26 8.158 8.196 -0.038 1
1 240 . 10 1 1 A 26 26 TYR HA H 26 4.089 4.201 -0.112 1
1 247 . 10 1 1 A 26 26 TYR C C 26 180.035 178.738 1.297 1
1 248 . 10 1 1 A 26 26 TYR CA C 26 63.104 60.389 2.715 1
1 249 . 10 1 1 A 26 26 TYR CB C 26 36.926 38.087 -1.161 1
1 254 . 10 1 1 A 26 26 TYR N N 26 118.591 118.148 0.443 1
1 255 . 10 1 1 A 27 27 TRP H H 27 9.294 8.132 1.162 1
1 256 . 10 1 1 A 27 27 TRP HA H 27 4.349 4.436 -0.087 1
1 265 . 10 1 1 A 27 27 TRP C C 27 179.209 178.481 0.728 1
1 266 . 10 1 1 A 27 27 TRP CA C 27 61.357 60.725 0.632 1
1 267 . 10 1 1 A 27 27 TRP CB C 27 28.481 29.935 -1.454 1
1 273 . 10 1 1 A 27 27 TRP N N 27 125.036 122.366 2.670 1
1 275 . 10 1 1 A 28 28 ASP H H 28 9.354 8.315 1.039 1
1 276 . 10 1 1 A 28 28 ASP HA H 28 4.479 4.695 -0.216 1
1 279 . 10 1 1 A 28 28 ASP C C 28 176.999 177.038 -0.039 1
1 280 . 10 1 1 A 28 28 ASP CA C 28 57.024 56.691 0.333 1
1 281 . 10 1 1 A 28 28 ASP CB C 28 39.894 40.647 -0.753 1
1 282 . 10 1 1 A 28 28 ASP N N 28 121.650 119.292 2.358 1
1 283 . 10 1 1 A 29 29 ASN H H 29 7.569 8.308 -0.739 1
1 284 . 10 1 1 A 29 29 ASN HA H 29 4.905 4.939 -0.034 1
1 289 . 10 1 1 A 29 29 ASN C C 29 174.935 175.664 -0.729 1
1 290 . 10 1 1 A 29 29 ASN CA C 29 52.819 52.563 0.256 1
1 291 . 10 1 1 A 29 29 ASN CB C 29 39.320 39.226 0.094 1
1 292 . 10 1 1 A 29 29 ASN N N 29 116.912 115.758 1.154 1
1 294 . 10 1 1 A 30 30 GLY H H 30 7.695 8.057 -0.362 1
1 295 . 10 1 1 A 30 30 GLY HA2 H 30 3.603 3.782 -0.179 1
1 296 . 10 1 1 A 30 30 GLY HA3 H 30 4.489 3.890 0.599 1
1 297 . 10 1 1 A 30 30 GLY C C 30 174.571 174.594 -0.023 1
1 298 . 10 1 1 A 30 30 GLY CA C 30 45.332 45.972 -0.640 1
1 299 . 10 1 1 A 30 30 GLY N N 30 105.356 108.135 -2.779 1
1 300 . 10 1 1 A 31 31 MET H H 31 8.574 8.003 0.571 1
1 301 . 10 1 1 A 31 31 MET HA H 31 4.769 4.522 0.247 1
1 309 . 10 1 1 A 31 31 MET C C 31 173.381 176.015 -2.634 1
1 310 . 10 1 1 A 31 31 MET CA C 31 54.301 54.233 0.068 1
1 311 . 10 1 1 A 31 31 MET CB C 31 31.899 30.773 1.126 1
1 314 . 10 1 1 A 31 31 MET N N 31 125.209 121.048 4.161 1
1 315 . 10 1 1 A 32 32 THR H H 32 7.284 7.437 -0.153 1
1 316 . 10 1 1 A 32 32 THR HA H 32 4.003 4.270 -0.267 1
1 321 . 10 1 1 A 32 32 THR C C 32 173.721 173.373 0.348 1
1 322 . 10 1 1 A 32 32 THR CA C 32 59.873 59.990 -0.117 1
1 323 . 10 1 1 A 32 32 THR CB C 32 69.651 68.068 1.583 1
1 325 . 10 1 1 A 32 32 THR N N 32 108.409 112.941 -4.532 1
1 326 . 10 1 1 A 33 33 SER H H 33 7.809 7.759 0.050 1
1 327 . 10 1 1 A 33 33 SER HA H 33 4.614 4.876 -0.262 1
1 330 . 10 1 1 A 33 33 SER C C 33 171.608 172.967 -1.359 1
1 331 . 10 1 1 A 33 33 SER CA C 33 56.764 56.628 0.136 1
1 332 . 10 1 1 A 33 33 SER CB C 33 65.653 64.650 1.003 1
1 333 . 10 1 1 A 33 33 SER N N 33 115.742 116.126 -0.384 1
1 334 . 10 1 1 A 34 34 LEU H H 34 8.284 8.453 -0.169 1
1 335 . 10 1 1 A 34 34 LEU HA H 34 4.488 4.501 -0.013 1
1 345 . 10 1 1 A 34 34 LEU C C 34 178.335 177.292 1.043 1
1 346 . 10 1 1 A 34 34 LEU CA C 34 54.583 54.858 -0.275 1
1 347 . 10 1 1 A 34 34 LEU CB C 34 41.872 42.852 -0.980 1
1 351 . 10 1 1 A 34 34 LEU N N 34 116.566 123.363 -6.797 1
1 352 . 10 1 1 A 35 35 GLY H H 35 8.159 8.048 0.111 1
1 353 . 10 1 1 A 35 35 GLY HA2 H 35 4.239 4.103 0.136 1
1 354 . 10 1 1 A 35 35 GLY HA3 H 35 3.949 4.107 -0.158 1
1 355 . 10 1 1 A 35 35 GLY C C 35 175.299 174.788 0.511 1
1 356 . 10 1 1 A 35 35 GLY CA C 35 44.707 44.713 -0.006 1
1 357 . 10 1 1 A 35 35 GLY N N 35 106.688 107.677 -0.989 1
1 358 . 10 1 1 A 36 36 SER HA H 36 4.123 4.124 -0.001 1
1 360 . 10 1 1 A 36 36 SER CA C 36 61.785 62.797 -1.012 1
1 361 . 10 1 1 A 36 36 SER CB C 36 62.793 62.942 -0.149 1
1 362 . 10 1 1 A 37 37 VAL HA H 37 4.155 3.854 0.301 1
1 370 . 10 1 1 A 37 37 VAL C C 37 177.048 177.097 -0.049 1
1 371 . 10 1 1 A 37 37 VAL CA C 37 64.423 65.413 -0.990 1
1 372 . 10 1 1 A 37 37 VAL CB C 37 31.486 31.410 0.076 1
1 375 . 10 1 1 A 38 38 CYS H H 38 7.746 7.598 0.148 1
1 376 . 10 1 1 A 38 38 CYS HA H 38 4.787 4.519 0.268 1
1 379 . 10 1 1 A 38 38 CYS C C 38 174.522 176.403 -1.881 1
1 380 . 10 1 1 A 38 38 CYS CA C 38 59.344 60.097 -0.753 1
1 381 . 10 1 1 A 38 38 CYS CB C 38 29.261 29.125 0.136 1
1 382 . 10 1 1 A 38 38 CYS N N 38 116.501 120.475 -3.974 1
1 383 . 10 1 1 A 39 39 ARG H H 39 7.633 8.430 -0.797 1
1 384 . 10 1 1 A 39 39 ARG HA H 39 3.847 3.954 -0.107 1
1 390 . 10 1 1 A 39 39 ARG C C 39 177.315 178.763 -1.448 1
1 391 . 10 1 1 A 39 39 ARG CA C 39 60.952 59.527 1.425 1
1 392 . 10 1 1 A 39 39 ARG CB C 39 30.332 30.184 0.148 1
1 395 . 10 1 1 A 39 39 ARG N N 39 122.520 122.254 0.266 1
1 396 . 10 1 1 A 40 40 GLU H H 40 8.827 8.315 0.512 1
1 397 . 10 1 1 A 40 40 GLU HA H 40 4.070 3.963 0.107 1
1 402 . 10 1 1 A 40 40 GLU C C 40 179.719 179.422 0.297 1
1 403 . 10 1 1 A 40 40 GLU CA C 40 60.065 59.276 0.789 1
1 404 . 10 1 1 A 40 40 GLU CB C 40 29.094 29.174 -0.080 1
1 406 . 10 1 1 A 40 40 GLU N N 40 116.909 117.572 -0.663 1
1 407 . 10 1 1 A 41 41 LYS H H 41 7.660 7.883 -0.223 1
1 408 . 10 1 1 A 41 41 LYS HA H 41 4.293 4.113 0.180 1
1 416 . 10 1 1 A 41 41 LYS C C 41 176.854 179.197 -2.343 1
1 417 . 10 1 1 A 41 41 LYS CA C 41 59.908 59.317 0.591 1
1 418 . 10 1 1 A 41 41 LYS CB C 41 33.704 32.433 1.271 1
1 422 . 10 1 1 A 41 41 LYS N N 41 120.497 118.477 2.020 1
1 423 . 10 1 1 A 42 42 ILE H H 42 8.050 8.403 -0.353 1
1 424 . 10 1 1 A 42 42 ILE HA H 42 3.756 3.510 0.246 1
1 434 . 10 1 1 A 42 42 ILE C C 42 177.607 177.598 0.009 1
1 435 . 10 1 1 A 42 42 ILE CA C 42 65.460 65.137 0.323 1
1 436 . 10 1 1 A 42 42 ILE CB C 42 38.516 37.700 0.816 1
1 440 . 10 1 1 A 42 42 ILE N N 42 119.276 120.587 -1.311 1
1 441 . 10 1 1 A 43 43 GLU H H 43 8.142 8.656 -0.514 1
1 442 . 10 1 1 A 43 43 GLU HA H 43 4.011 4.026 -0.015 1
1 447 . 10 1 1 A 43 43 GLU C C 43 179.477 178.803 0.674 1
1 448 . 10 1 1 A 43 43 GLU CA C 43 59.340 59.342 -0.002 1
1 449 . 10 1 1 A 43 43 GLU CB C 43 29.425 29.266 0.159 1
1 451 . 10 1 1 A 43 43 GLU N N 43 116.432 119.940 -3.508 1
1 452 . 10 1 1 A 44 44 ALA H H 44 8.053 8.216 -0.163 1
1 453 . 10 1 1 A 44 44 ALA HA H 44 4.217 4.185 0.032 1
1 457 . 10 1 1 A 44 44 ALA C C 44 180.958 178.976 1.982 1
1 458 . 10 1 1 A 44 44 ALA CA C 44 55.453 54.801 0.652 1
1 459 . 10 1 1 A 44 44 ALA CB C 44 18.553 19.338 -0.785 1
1 460 . 10 1 1 A 44 44 ALA N N 44 122.819 122.944 -0.125 1
1 461 . 10 1 1 A 45 45 VAL H H 45 8.400 7.351 1.049 1
1 462 . 10 1 1 A 45 45 VAL HA H 45 3.530 3.572 -0.042 1
1 470 . 10 1 1 A 45 45 VAL C C 45 176.465 177.152 -0.687 1
1 471 . 10 1 1 A 45 45 VAL CA C 45 65.075 64.581 0.494 1
1 472 . 10 1 1 A 45 45 VAL CB C 45 29.673 30.805 -1.132 1
1 475 . 10 1 1 A 45 45 VAL N N 45 120.862 116.829 4.033 1
1 476 . 10 1 1 A 46 46 ALA H H 46 8.225 7.869 0.356 1
1 477 . 10 1 1 A 46 46 ALA HA H 46 3.787 4.080 -0.293 1
1 481 . 10 1 1 A 46 46 ALA C C 46 180.205 179.751 0.454 1
1 482 . 10 1 1 A 46 46 ALA CA C 46 55.753 55.199 0.554 1
1 483 . 10 1 1 A 46 46 ALA CB C 46 18.516 18.646 -0.130 1
1 484 . 10 1 1 A 46 46 ALA N N 46 125.827 123.813 2.014 1
1 485 . 10 1 1 A 47 47 THR H H 47 7.850 7.327 0.523 1
1 486 . 10 1 1 A 47 47 THR HA H 47 4.084 4.001 0.083 1
1 491 . 10 1 1 A 47 47 THR C C 47 177.339 176.483 0.856 1
1 492 . 10 1 1 A 47 47 THR CA C 47 66.492 64.559 1.933 1
1 493 . 10 1 1 A 47 47 THR CB C 47 68.772 68.904 -0.132 1
1 495 . 10 1 1 A 47 47 THR N N 47 113.467 112.532 0.935 1
1 496 . 10 1 1 A 48 48 GLU H H 48 8.050 8.239 -0.189 1
1 497 . 10 1 1 A 48 48 GLU HA H 48 4.001 4.106 -0.105 1
1 502 . 10 1 1 A 48 48 GLU C C 48 178.457 178.097 0.360 1
1 503 . 10 1 1 A 48 48 GLU CA C 48 60.174 58.669 1.505 1
1 504 . 10 1 1 A 48 48 GLU CB C 48 29.719 29.768 -0.049 1
1 506 . 10 1 1 A 48 48 GLU N N 48 123.295 120.788 2.507 1
1 507 . 10 1 1 A 49 49 LEU H H 49 8.198 7.408 0.790 1
1 508 . 10 1 1 A 49 49 LEU HA H 49 4.215 4.317 -0.102 1
1 518 . 10 1 1 A 49 49 LEU C C 49 176.344 176.232 0.112 1
1 519 . 10 1 1 A 49 49 LEU CA C 49 55.050 54.720 0.330 1
1 520 . 10 1 1 A 49 49 LEU CB C 49 42.861 41.816 1.045 1
1 524 . 10 1 1 A 49 49 LEU N N 49 115.963 118.016 -2.053 1
1 525 . 10 1 1 A 50 50 ASN H H 50 8.008 7.854 0.154 1
1 526 . 10 1 1 A 50 50 ASN HA H 50 4.411 4.331 0.080 1
1 531 . 10 1 1 A 50 50 ASN C C 50 174.522 173.744 0.778 1
1 532 . 10 1 1 A 50 50 ASN CA C 50 54.159 54.180 -0.021 1
1 533 . 10 1 1 A 50 50 ASN CB C 50 37.446 37.320 0.126 1
1 534 . 10 1 1 A 50 50 ASN N N 50 118.398 117.949 0.449 1
1 536 . 10 1 1 A 51 51 VAL H H 51 8.240 7.728 0.512 1
1 537 . 10 1 1 A 51 51 VAL HA H 51 4.792 4.859 -0.067 1
1 545 . 10 1 1 A 51 51 VAL C C 51 174.619 174.496 0.123 1
1 546 . 10 1 1 A 51 51 VAL CA C 51 58.674 58.534 0.140 1
1 547 . 10 1 1 A 51 51 VAL CB C 51 36.102 35.437 0.665 1
1 550 . 10 1 1 A 51 51 VAL N N 51 110.142 113.391 -3.249 1
1 551 . 10 1 1 A 52 52 ASP H H 52 8.164 8.697 -0.533 1
1 552 . 10 1 1 A 52 52 ASP HA H 52 4.597 4.479 0.118 1
1 555 . 10 1 1 A 52 52 ASP C C 52 178.262 177.351 0.911 1
1 556 . 10 1 1 A 52 52 ASP CA C 52 54.423 54.845 -0.422 1
1 557 . 10 1 1 A 52 52 ASP CB C 52 43.200 42.221 0.979 1
1 558 . 10 1 1 A 52 52 ASP N N 52 120.019 123.802 -3.783 1
1 559 . 10 1 1 A 53 53 CYS H H 53 8.967 9.029 -0.062 1
1 560 . 10 1 1 A 53 53 CYS HA H 53 3.862 4.057 -0.195 1
1 563 . 10 1 1 A 53 53 CYS C C 53 176.975 177.102 -0.127 1
1 564 . 10 1 1 A 53 53 CYS CA C 53 63.438 62.034 1.404 1
1 565 . 10 1 1 A 53 53 CYS CB C 53 27.358 27.069 0.289 1
1 566 . 10 1 1 A 53 53 CYS N N 53 122.121 126.106 -3.985 1
1 567 . 10 1 1 A 54 54 GLU H H 54 9.357 7.880 1.477 1
1 568 . 10 1 1 A 54 54 GLU HA H 54 4.083 4.066 0.017 1
1 573 . 10 1 1 A 54 54 GLU C C 54 179.064 179.373 -0.309 1
1 574 . 10 1 1 A 54 54 GLU CA C 54 59.626 59.396 0.230 1
1 575 . 10 1 1 A 54 54 GLU CB C 54 29.178 29.594 -0.416 1
1 577 . 10 1 1 A 54 54 GLU N N 54 120.121 121.460 -1.339 1
1 578 . 10 1 1 A 55 55 ILE H H 55 7.650 8.323 -0.673 1
1 579 . 10 1 1 A 55 55 ILE HA H 55 4.005 3.814 0.191 1
1 589 . 10 1 1 A 55 55 ILE C C 55 179.331 178.728 0.603 1
1 590 . 10 1 1 A 55 55 ILE CA C 55 63.558 65.428 -1.870 1
1 591 . 10 1 1 A 55 55 ILE CB C 55 36.988 37.885 -0.897 1
1 595 . 10 1 1 A 55 55 ILE N N 55 119.061 121.012 -1.951 1
1 596 . 10 1 1 A 56 56 VAL H H 56 6.973 7.593 -0.620 1
1 597 . 10 1 1 A 56 56 VAL HA H 56 3.651 3.682 -0.031 1
1 605 . 10 1 1 A 56 56 VAL C C 56 177.874 178.035 -0.161 1
1 606 . 10 1 1 A 56 56 VAL CA C 56 66.847 66.694 0.153 1
1 607 . 10 1 1 A 56 56 VAL CB C 56 31.486 31.811 -0.325 1
1 610 . 10 1 1 A 56 56 VAL N N 56 121.206 120.632 0.574 1
1 611 . 10 1 1 A 57 57 ARG H H 57 8.508 8.204 0.304 1
1 612 . 10 1 1 A 57 57 ARG HA H 57 3.928 4.091 -0.163 1
1 618 . 10 1 1 A 57 57 ARG C C 57 179.282 178.752 0.530 1
1 619 . 10 1 1 A 57 57 ARG CA C 57 61.095 59.388 1.707 1
1 620 . 10 1 1 A 57 57 ARG CB C 57 30.261 30.093 0.168 1
1 623 . 10 1 1 A 57 57 ARG N N 57 118.801 120.342 -1.541 1
1 624 . 10 1 1 A 58 58 THR H H 58 8.528 8.129 0.399 1
1 625 . 10 1 1 A 58 58 THR HA H 58 4.013 3.995 0.018 1
1 630 . 10 1 1 A 58 58 THR C C 58 175.518 176.190 -0.672 1
1 631 . 10 1 1 A 58 58 THR CA C 58 66.879 66.503 0.376 1
1 632 . 10 1 1 A 58 58 THR CB C 58 68.826 68.466 0.360 1
1 634 . 10 1 1 A 58 58 THR N N 58 117.805 115.687 2.118 1
1 635 . 10 1 1 A 59 59 TRP H H 59 7.904 7.862 0.042 1
1 636 . 10 1 1 A 59 59 TRP HA H 59 4.228 4.362 -0.134 1
1 645 . 10 1 1 A 59 59 TRP C C 59 179.015 178.418 0.597 1
1 646 . 10 1 1 A 59 59 TRP CA C 59 63.377 61.485 1.892 1
1 647 . 10 1 1 A 59 59 TRP CB C 59 28.280 29.519 -1.239 1
1 653 . 10 1 1 A 59 59 TRP N N 59 124.326 124.114 0.212 1
1 655 . 10 1 1 A 60 60 ILE H H 60 8.799 8.288 0.511 1
1 656 . 10 1 1 A 60 60 ILE HA H 60 3.461 3.764 -0.303 1
1 666 . 10 1 1 A 60 60 ILE C C 60 178.481 177.934 0.547 1
1 667 . 10 1 1 A 60 60 ILE CA C 60 65.878 65.129 0.749 1
1 668 . 10 1 1 A 60 60 ILE CB C 60 39.399 38.173 1.226 1
1 672 . 10 1 1 A 60 60 ILE N N 60 119.831 119.493 0.338 1
1 673 . 10 1 1 A 61 61 GLY H H 61 8.659 7.855 0.804 1
1 674 . 10 1 1 A 61 61 GLY HA2 H 61 3.705 3.820 -0.115 1
1 675 . 10 1 1 A 61 61 GLY HA3 H 61 4.118 3.822 0.296 1
1 676 . 10 1 1 A 61 61 GLY C C 61 176.878 176.027 0.851 1
1 677 . 10 1 1 A 61 61 GLY CA C 61 47.388 47.282 0.106 1
1 678 . 10 1 1 A 61 61 GLY N N 61 106.205 107.770 -1.565 1
1 679 . 10 1 1 A 62 62 ASN H H 62 8.408 8.096 0.312 1
1 680 . 10 1 1 A 62 62 ASN HA H 62 4.452 4.393 0.059 1
1 685 . 10 1 1 A 62 62 ASN C C 62 177.461 177.646 -0.185 1
1 686 . 10 1 1 A 62 62 ASN CA C 62 55.480 55.840 -0.360 1
1 687 . 10 1 1 A 62 62 ASN CB C 62 37.951 37.934 0.017 1
1 688 . 10 1 1 A 62 62 ASN N N 62 120.644 120.018 0.626 1
1 690 . 10 1 1 A 63 63 ARG H H 63 7.816 7.671 0.145 1
1 691 . 10 1 1 A 63 63 ARG HA H 63 3.544 3.715 -0.171 1
1 698 . 10 1 1 A 63 63 ARG C C 63 178.189 178.790 -0.601 1
1 699 . 10 1 1 A 63 63 ARG CA C 63 59.219 59.609 -0.390 1
1 700 . 10 1 1 A 63 63 ARG CB C 63 29.077 29.651 -0.574 1
1 703 . 10 1 1 A 63 63 ARG N N 63 124.207 120.003 4.204 1
1 704 . 10 1 1 A 64 64 ARG H H 64 8.578 8.087 0.491 1
1 705 . 10 1 1 A 64 64 ARG HA H 64 4.057 4.169 -0.112 1
1 712 . 10 1 1 A 64 64 ARG C C 64 179.039 178.998 0.041 1
1 713 . 10 1 1 A 64 64 ARG CA C 64 60.190 60.118 0.072 1
1 714 . 10 1 1 A 64 64 ARG CB C 64 30.579 30.099 0.480 1
1 717 . 10 1 1 A 64 64 ARG N N 64 117.839 118.100 -0.261 1
1 718 . 10 1 1 A 65 65 ARG H H 65 7.712 7.821 -0.109 1
1 719 . 10 1 1 A 65 65 ARG HA H 65 4.091 4.019 0.072 1
1 726 . 10 1 1 A 65 65 ARG C C 65 178.214 178.606 -0.392 1
1 727 . 10 1 1 A 65 65 ARG CA C 65 59.556 59.262 0.294 1
1 728 . 10 1 1 A 65 65 ARG CB C 65 30.167 29.988 0.179 1
1 731 . 10 1 1 A 65 65 ARG N N 65 118.827 119.620 -0.793 1
1 732 . 10 1 1 A 66 66 LYS H H 66 7.848 8.035 -0.187 1
1 733 . 10 1 1 A 66 66 LYS HA H 66 3.997 3.986 0.011 1
1 741 . 10 1 1 A 66 66 LYS C C 66 178.481 178.432 0.049 1
1 742 . 10 1 1 A 66 66 LYS CA C 66 59.110 59.175 -0.065 1
1 743 . 10 1 1 A 66 66 LYS CB C 66 32.226 32.388 -0.162 1
1 747 . 10 1 1 A 66 66 LYS N N 66 120.251 119.299 0.952 1
1 748 . 10 1 1 A 67 67 TYR H H 67 8.324 8.190 0.134 1
1 749 . 10 1 1 A 67 67 TYR HA H 67 4.274 4.283 -0.009 1
1 756 . 10 1 1 A 67 67 TYR C C 67 177.412 178.113 -0.701 1
1 757 . 10 1 1 A 67 67 TYR CA C 67 60.576 61.065 -0.489 1
1 758 . 10 1 1 A 67 67 TYR CB C 67 37.043 38.385 -1.342 1
1 763 . 10 1 1 A 67 67 TYR N N 67 118.725 118.942 -0.217 1
1 764 . 10 1 1 A 68 68 ARG H H 68 8.084 8.104 -0.020 1
1 765 . 10 1 1 A 68 68 ARG HA H 68 4.218 4.105 0.113 1
1 772 . 10 1 1 A 68 68 ARG C C 68 179.209 178.950 0.259 1
1 773 . 10 1 1 A 68 68 ARG CA C 68 58.616 59.325 -0.709 1
1 774 . 10 1 1 A 68 68 ARG CB C 68 29.343 30.038 -0.695 1
1 777 . 10 1 1 A 68 68 ARG N N 68 119.763 119.990 -0.227 1
1 778 . 10 1 1 A 69 69 LEU H H 69 8.168 8.320 -0.152 1
1 779 . 10 1 1 A 69 69 LEU HA H 69 4.244 4.002 0.242 1
1 789 . 10 1 1 A 69 69 LEU C C 69 178.457 179.208 -0.751 1
1 790 . 10 1 1 A 69 69 LEU CA C 69 56.981 57.974 -0.993 1
1 791 . 10 1 1 A 69 69 LEU CB C 69 41.955 41.466 0.489 1
1 795 . 10 1 1 A 69 69 LEU N N 69 120.874 119.834 1.040 1
1 796 . 10 1 1 A 70 70 MET H H 70 7.942 8.112 -0.170 1
1 797 . 10 1 1 A 70 70 MET HA H 70 4.440 4.438 0.002 1
1 805 . 10 1 1 A 70 70 MET C C 70 176.417 176.238 0.179 1
1 806 . 10 1 1 A 70 70 MET CA C 70 55.958 56.644 -0.686 1
1 807 . 10 1 1 A 70 70 MET CB C 70 33.711 33.210 0.501 1
1 810 . 10 1 1 A 70 70 MET N N 70 117.335 118.045 -0.710 1
1 811 . 10 1 1 A 71 71 GLY H H 71 8.107 8.024 0.083 1
1 812 . 10 1 1 A 71 71 GLY HA2 H 71 3.906 4.051 -0.145 1
1 813 . 10 1 1 A 71 71 GLY HA3 H 71 4.055 4.056 -0.001 1
1 814 . 10 1 1 A 71 71 GLY C C 71 174.255 174.915 -0.660 1
1 815 . 10 1 1 A 71 71 GLY CA C 71 45.852 45.438 0.414 1
1 816 . 10 1 1 A 71 71 GLY N N 71 109.096 107.106 1.990 1
1 817 . 10 1 1 A 72 72 ILE H H 72 8.036 7.625 0.411 1
1 818 . 10 1 1 A 72 72 ILE HA H 72 4.197 4.057 0.140 1
1 828 . 10 1 1 A 72 72 ILE C C 72 175.712 175.256 0.456 1
1 829 . 10 1 1 A 72 72 ILE CA C 72 60.626 60.857 -0.231 1
1 830 . 10 1 1 A 72 72 ILE CB C 72 39.203 36.656 2.547 1
1 834 . 10 1 1 A 72 72 ILE N N 72 120.615 122.350 -1.735 1
1 835 . 10 1 1 A 73 73 GLU H H 73 8.523 8.074 0.449 1
1 836 . 10 1 1 A 73 73 GLU HA H 73 4.306 4.392 -0.086 1
1 841 . 10 1 1 A 73 73 GLU C C 73 176.417 175.626 0.791 1
1 842 . 10 1 1 A 73 73 GLU CA C 73 56.551 56.592 -0.041 1
1 843 . 10 1 1 A 73 73 GLU CB C 73 30.167 29.979 0.188 1
1 845 . 10 1 1 A 73 73 GLU N N 73 125.837 127.600 -1.763 1
1 846 . 10 1 1 A 74 74 VAL H H 74 8.319 8.474 -0.155 1
1 847 . 10 1 1 A 74 74 VAL HA H 74 4.187 4.698 -0.511 1
1 855 . 10 1 1 A 74 74 VAL C C 74 176.052 173.828 2.224 1
1 856 . 10 1 1 A 74 74 VAL CA C 74 62.103 60.312 1.791 1
1 857 . 10 1 1 A 74 74 VAL CB C 74 33.063 34.929 -1.866 1
1 860 . 10 1 1 A 74 74 VAL N N 74 122.642 122.154 0.488 1
1 861 . 10 1 1 A 75 75 SER H H 75 8.460 8.746 -0.286 1
1 862 . 10 1 1 A 75 75 SER HA H 75 4.469 4.910 -0.441 1
1 865 . 10 1 1 A 75 75 SER C C 75 174.547 173.224 1.323 1
1 866 . 10 1 1 A 75 75 SER CA C 75 58.413 56.596 1.817 1
1 867 . 10 1 1 A 75 75 SER CB C 75 64.015 66.248 -2.233 1
1 868 . 10 1 1 A 75 75 SER N N 75 120.411 121.169 -0.758 1
1 869 . 10 1 1 A 76 76 GLY H H 76 8.307 8.614 -0.307 1
1 870 . 10 1 1 A 76 76 GLY HA2 H 76 4.096 3.985 0.111 1
1 871 . 10 1 1 A 76 76 GLY C C 76 171.729 173.504 -1.775 1
1 872 . 10 1 1 A 76 76 GLY CA C 76 44.566 44.540 0.026 1
1 873 . 10 1 1 A 76 76 GLY N N 76 110.975 112.328 -1.353 1
1 874 . 10 1 1 A 77 77 PRO HA H 77 4.508 4.689 -0.181 1
1 880 . 10 1 1 A 77 77 PRO CA C 77 63.054 62.383 0.671 1
1 881 . 10 1 1 A 77 77 PRO CB C 77 32.299 29.610 2.689 1
1 884 . 10 1 1 A 79 79 SER HA H 79 4.507 5.189 -0.682 1
1 887 . 10 1 1 A 79 79 SER C C 79 173.939 172.967 0.972 1
1 888 . 10 1 1 A 79 79 SER CA C 79 58.427 57.723 0.704 1
1 889 . 10 1 1 A 79 79 SER CB C 79 64.293 66.115 -1.822 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.969 4.120 -0.151 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.969 4.121 -0.152 1
1 3 . 11 1 1 A 7 7 GLY C C 7 173.939 175.071 -1.132 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.342 45.721 -0.379 1
1 5 . 11 1 1 A 8 8 ALA H H 8 8.128 7.901 0.227 1
1 6 . 11 1 1 A 8 8 ALA HA H 8 4.329 4.665 -0.336 1
1 10 . 11 1 1 A 8 8 ALA C C 8 177.971 178.083 -0.112 1
1 11 . 11 1 1 A 8 8 ALA CA C 8 52.565 51.096 1.469 1
1 12 . 11 1 1 A 8 8 ALA CB C 8 19.287 19.373 -0.086 1
1 13 . 11 1 1 A 8 8 ALA N N 8 123.703 121.222 2.481 1
1 14 . 11 1 1 A 9 9 LEU H H 9 8.240 7.641 0.599 1
1 15 . 11 1 1 A 9 9 LEU HA H 9 4.304 4.001 0.303 1
1 25 . 11 1 1 A 9 9 LEU C C 9 177.655 176.490 1.165 1
1 26 . 11 1 1 A 9 9 LEU CA C 9 55.570 58.540 -2.970 1
1 27 . 11 1 1 A 9 9 LEU CB C 9 42.202 42.410 -0.208 1
1 31 . 11 1 1 A 9 9 LEU N N 9 121.161 119.735 1.426 1
1 32 . 11 1 1 A 10 10 GLN H H 10 8.305 7.634 0.671 1
1 33 . 11 1 1 A 10 10 GLN HA H 10 4.313 4.558 -0.245 1
1 40 . 11 1 1 A 10 10 GLN C C 10 175.737 173.471 2.266 1
1 41 . 11 1 1 A 10 10 GLN CA C 10 56.099 55.607 0.492 1
1 42 . 11 1 1 A 10 10 GLN CB C 10 29.425 32.152 -2.727 1
1 44 . 11 1 1 A 10 10 GLN N N 10 120.538 117.503 3.035 1
1 46 . 11 1 1 A 11 11 ASP H H 11 8.306 8.778 -0.472 1
1 47 . 11 1 1 A 11 11 ASP HA H 11 4.589 4.741 -0.152 1
1 50 . 11 1 1 A 11 11 ASP C C 11 176.319 175.239 1.080 1
1 51 . 11 1 1 A 11 11 ASP CA C 11 54.583 54.221 0.362 1
1 52 . 11 1 1 A 11 11 ASP CB C 11 41.204 40.603 0.601 1
1 53 . 11 1 1 A 11 11 ASP N N 11 121.418 125.165 -3.747 1
1 54 . 11 1 1 A 12 12 ARG H H 12 8.257 8.297 -0.040 1
1 55 . 11 1 1 A 12 12 ARG HA H 12 4.408 4.694 -0.286 1
1 62 . 11 1 1 A 12 12 ARG C C 12 176.295 173.917 2.378 1
1 63 . 11 1 1 A 12 12 ARG CA C 12 56.088 55.450 0.638 1
1 64 . 11 1 1 A 12 12 ARG CB C 12 30.579 33.533 -2.954 1
1 67 . 11 1 1 A 12 12 ARG N N 12 121.271 124.266 -2.995 1
1 68 . 11 1 1 A 13 13 THR H H 13 8.189 8.814 -0.625 1
1 69 . 11 1 1 A 13 13 THR HA H 13 4.193 4.600 -0.407 1
1 74 . 11 1 1 A 13 13 THR C C 13 174.121 172.907 1.214 1
1 75 . 11 1 1 A 13 13 THR CA C 13 62.448 61.965 0.483 1
1 76 . 11 1 1 A 13 13 THR CB C 13 69.697 68.397 1.300 1
1 78 . 11 1 1 A 13 13 THR N N 13 114.810 122.646 -7.836 1
1 79 . 11 1 1 A 14 14 GLN H H 14 8.130 8.723 -0.593 1
1 80 . 11 1 1 A 14 14 GLN HA H 14 4.314 5.026 -0.712 1
1 87 . 11 1 1 A 14 14 GLN C C 14 175.275 174.136 1.139 1
1 88 . 11 1 1 A 14 14 GLN CA C 14 55.253 54.254 0.999 1
1 89 . 11 1 1 A 14 14 GLN CB C 14 29.838 32.568 -2.730 1
1 91 . 11 1 1 A 14 14 GLN N N 14 122.533 127.848 -5.315 1
1 93 . 11 1 1 A 15 15 PHE H H 15 8.151 9.015 -0.864 1
1 94 . 11 1 1 A 15 15 PHE HA H 15 5.009 5.158 -0.149 1
1 102 . 11 1 1 A 15 15 PHE C C 15 176.465 175.424 1.041 1
1 103 . 11 1 1 A 15 15 PHE CA C 15 57.157 56.119 1.038 1
1 104 . 11 1 1 A 15 15 PHE CB C 15 40.996 42.047 -1.051 1
1 110 . 11 1 1 A 15 15 PHE N N 15 120.835 124.769 -3.934 1
1 111 . 11 1 1 A 16 16 SER H H 16 9.565 9.021 0.544 1
1 112 . 11 1 1 A 16 16 SER HA H 16 4.610 4.743 -0.133 1
1 115 . 11 1 1 A 16 16 SER C C 16 174.547 175.086 -0.539 1
1 116 . 11 1 1 A 16 16 SER CA C 16 56.946 57.337 -0.391 1
1 117 . 11 1 1 A 16 16 SER CB C 16 65.545 65.323 0.222 1
1 118 . 11 1 1 A 16 16 SER N N 16 119.442 119.315 0.127 1
1 119 . 11 1 1 A 17 17 ASP H H 17 8.947 9.186 -0.239 1
1 120 . 11 1 1 A 17 17 ASP HA H 17 4.386 4.256 0.130 1
1 123 . 11 1 1 A 17 17 ASP C C 17 179.331 178.284 1.047 1
1 124 . 11 1 1 A 17 17 ASP CA C 17 58.074 58.214 -0.140 1
1 125 . 11 1 1 A 17 17 ASP CB C 17 39.875 40.374 -0.499 1
1 126 . 11 1 1 A 17 17 ASP N N 17 120.645 125.209 -4.564 1
1 127 . 11 1 1 A 18 18 ARG H H 18 8.302 8.287 0.015 1
1 128 . 11 1 1 A 18 18 ARG HA H 18 4.098 4.005 0.093 1
1 135 . 11 1 1 A 18 18 ARG C C 18 178.699 178.964 -0.265 1
1 136 . 11 1 1 A 18 18 ARG CA C 18 59.203 59.534 -0.331 1
1 137 . 11 1 1 A 18 18 ARG CB C 18 29.920 30.112 -0.192 1
1 140 . 11 1 1 A 18 18 ARG N N 18 121.398 119.476 1.922 1
1 141 . 11 1 1 A 19 19 ASP H H 19 7.853 7.976 -0.123 1
1 142 . 11 1 1 A 19 19 ASP HA H 19 4.151 4.250 -0.099 1
1 145 . 11 1 1 A 19 19 ASP C C 19 178.384 178.531 -0.147 1
1 146 . 11 1 1 A 19 19 ASP CA C 19 57.348 57.061 0.287 1
1 147 . 11 1 1 A 19 19 ASP CB C 19 40.392 40.856 -0.464 1
1 148 . 11 1 1 A 19 19 ASP N N 19 122.636 119.888 2.748 1
1 149 . 11 1 1 A 20 20 LEU H H 20 8.335 8.403 -0.068 1
1 150 . 11 1 1 A 20 20 LEU HA H 20 3.635 3.464 0.171 1
1 160 . 11 1 1 A 20 20 LEU C C 20 179.234 179.026 0.208 1
1 161 . 11 1 1 A 20 20 LEU CA C 20 57.587 57.926 -0.339 1
1 162 . 11 1 1 A 20 20 LEU CB C 20 41.658 41.441 0.217 1
1 166 . 11 1 1 A 20 20 LEU N N 20 118.845 119.368 -0.523 1
1 167 . 11 1 1 A 21 21 ALA H H 21 7.905 8.109 -0.204 1
1 168 . 11 1 1 A 21 21 ALA HA H 21 4.123 4.014 0.109 1
1 172 . 11 1 1 A 21 21 ALA C C 21 181.031 179.888 1.143 1
1 173 . 11 1 1 A 21 21 ALA CA C 21 55.103 55.512 -0.409 1
1 174 . 11 1 1 A 21 21 ALA CB C 21 17.709 18.745 -1.036 1
1 175 . 11 1 1 A 21 21 ALA N N 21 122.007 120.697 1.310 1
1 176 . 11 1 1 A 22 22 THR H H 22 7.886 8.419 -0.533 1
1 177 . 11 1 1 A 22 22 THR HA H 22 3.954 3.840 0.114 1
1 182 . 11 1 1 A 22 22 THR C C 22 175.834 176.311 -0.477 1
1 183 . 11 1 1 A 22 22 THR CA C 22 67.081 67.661 -0.580 1
1 184 . 11 1 1 A 22 22 THR CB C 22 68.253 69.109 -0.856 1
1 186 . 11 1 1 A 22 22 THR N N 22 119.042 113.855 5.187 1
1 187 . 11 1 1 A 23 23 LEU H H 23 8.036 7.723 0.313 1
1 188 . 11 1 1 A 23 23 LEU HA H 23 3.404 3.648 -0.244 1
1 198 . 11 1 1 A 23 23 LEU C C 23 178.335 179.141 -0.806 1
1 199 . 11 1 1 A 23 23 LEU CA C 23 59.230 58.002 1.228 1
1 200 . 11 1 1 A 23 23 LEU CB C 23 39.399 41.182 -1.783 1
1 204 . 11 1 1 A 23 23 LEU N N 23 123.450 120.165 3.285 1
1 205 . 11 1 1 A 24 24 LYS H H 24 8.166 8.334 -0.168 1
1 206 . 11 1 1 A 24 24 LYS HA H 24 4.074 4.037 0.037 1
1 215 . 11 1 1 A 24 24 LYS C C 24 177.631 179.106 -1.475 1
1 216 . 11 1 1 A 24 24 LYS CA C 24 60.367 59.726 0.641 1
1 217 . 11 1 1 A 24 24 LYS CB C 24 32.554 32.219 0.335 1
1 221 . 11 1 1 A 24 24 LYS N N 24 117.974 118.803 -0.829 1
1 222 . 11 1 1 A 25 25 LYS H H 25 7.837 8.117 -0.280 1
1 223 . 11 1 1 A 25 25 LYS HA H 25 4.205 4.069 0.136 1
1 232 . 11 1 1 A 25 25 LYS C C 25 179.695 178.697 0.998 1
1 233 . 11 1 1 A 25 25 LYS CA C 25 59.704 59.170 0.534 1
1 234 . 11 1 1 A 25 25 LYS CB C 25 31.816 32.190 -0.374 1
1 238 . 11 1 1 A 25 25 LYS N N 25 120.567 119.003 1.564 1
1 239 . 11 1 1 A 26 26 TYR H H 26 8.158 8.119 0.039 1
1 240 . 11 1 1 A 26 26 TYR HA H 26 4.089 4.144 -0.055 1
1 247 . 11 1 1 A 26 26 TYR C C 26 180.035 178.701 1.334 1
1 248 . 11 1 1 A 26 26 TYR CA C 26 63.104 60.411 2.693 1
1 249 . 11 1 1 A 26 26 TYR CB C 26 36.926 37.932 -1.006 1
1 254 . 11 1 1 A 26 26 TYR N N 26 118.591 118.683 -0.092 1
1 255 . 11 1 1 A 27 27 TRP H H 27 9.294 8.079 1.215 1
1 256 . 11 1 1 A 27 27 TRP HA H 27 4.349 4.349 0.000 1
1 265 . 11 1 1 A 27 27 TRP C C 27 179.209 178.424 0.785 1
1 266 . 11 1 1 A 27 27 TRP CA C 27 61.357 60.598 0.759 1
1 267 . 11 1 1 A 27 27 TRP CB C 27 28.481 29.734 -1.253 1
1 273 . 11 1 1 A 27 27 TRP N N 27 125.036 122.172 2.864 1
1 275 . 11 1 1 A 28 28 ASP H H 28 9.354 8.219 1.135 1
1 276 . 11 1 1 A 28 28 ASP HA H 28 4.479 4.670 -0.191 1
1 279 . 11 1 1 A 28 28 ASP C C 28 176.999 177.018 -0.019 1
1 280 . 11 1 1 A 28 28 ASP CA C 28 57.024 56.770 0.254 1
1 281 . 11 1 1 A 28 28 ASP CB C 28 39.894 40.626 -0.732 1
1 282 . 11 1 1 A 28 28 ASP N N 28 121.650 119.312 2.338 1
1 283 . 11 1 1 A 29 29 ASN H H 29 7.569 8.174 -0.605 1
1 284 . 11 1 1 A 29 29 ASN HA H 29 4.905 4.962 -0.057 1
1 289 . 11 1 1 A 29 29 ASN C C 29 174.935 175.586 -0.651 1
1 290 . 11 1 1 A 29 29 ASN CA C 29 52.819 52.519 0.300 1
1 291 . 11 1 1 A 29 29 ASN CB C 29 39.320 39.102 0.218 1
1 292 . 11 1 1 A 29 29 ASN N N 29 116.912 115.735 1.177 1
1 294 . 11 1 1 A 30 30 GLY H H 30 7.695 7.831 -0.136 1
1 295 . 11 1 1 A 30 30 GLY HA2 H 30 3.603 3.698 -0.095 1
1 296 . 11 1 1 A 30 30 GLY HA3 H 30 4.489 3.828 0.661 1
1 297 . 11 1 1 A 30 30 GLY C C 30 174.571 174.359 0.212 1
1 298 . 11 1 1 A 30 30 GLY CA C 30 45.332 46.153 -0.821 1
1 299 . 11 1 1 A 30 30 GLY N N 30 105.356 108.527 -3.171 1
1 300 . 11 1 1 A 31 31 MET H H 31 8.574 7.914 0.660 1
1 301 . 11 1 1 A 31 31 MET HA H 31 4.769 4.393 0.376 1
1 309 . 11 1 1 A 31 31 MET C C 31 173.381 175.985 -2.604 1
1 310 . 11 1 1 A 31 31 MET CA C 31 54.301 54.138 0.163 1
1 311 . 11 1 1 A 31 31 MET CB C 31 31.899 30.890 1.009 1
1 314 . 11 1 1 A 31 31 MET N N 31 125.209 120.485 4.724 1
1 315 . 11 1 1 A 32 32 THR H H 32 7.284 7.477 -0.193 1
1 316 . 11 1 1 A 32 32 THR HA H 32 4.003 4.140 -0.137 1
1 321 . 11 1 1 A 32 32 THR C C 32 173.721 174.914 -1.193 1
1 322 . 11 1 1 A 32 32 THR CA C 32 59.873 61.771 -1.898 1
1 323 . 11 1 1 A 32 32 THR CB C 32 69.651 69.564 0.087 1
1 325 . 11 1 1 A 32 32 THR N N 32 108.409 115.834 -7.425 1
1 326 . 11 1 1 A 33 33 SER H H 33 7.809 7.613 0.196 1
1 327 . 11 1 1 A 33 33 SER HA H 33 4.614 4.324 0.290 1
1 330 . 11 1 1 A 33 33 SER C C 33 171.608 173.674 -2.066 1
1 331 . 11 1 1 A 33 33 SER CA C 33 56.764 59.113 -2.349 1
1 332 . 11 1 1 A 33 33 SER CB C 33 65.653 63.979 1.674 1
1 333 . 11 1 1 A 33 33 SER N N 33 115.742 118.045 -2.303 1
1 334 . 11 1 1 A 34 34 LEU H H 34 8.284 8.490 -0.206 1
1 335 . 11 1 1 A 34 34 LEU HA H 34 4.488 4.281 0.207 1
1 345 . 11 1 1 A 34 34 LEU C C 34 178.335 177.906 0.429 1
1 346 . 11 1 1 A 34 34 LEU CA C 34 54.583 57.520 -2.937 1
1 347 . 11 1 1 A 34 34 LEU CB C 34 41.872 42.303 -0.431 1
1 351 . 11 1 1 A 34 34 LEU N N 34 116.566 127.681 -11.115 1
1 352 . 11 1 1 A 35 35 GLY H H 35 8.159 8.053 0.106 1
1 353 . 11 1 1 A 35 35 GLY HA2 H 35 4.239 3.970 0.269 1
1 354 . 11 1 1 A 35 35 GLY HA3 H 35 3.949 3.975 -0.026 1
1 355 . 11 1 1 A 35 35 GLY C C 35 175.299 175.073 0.226 1
1 356 . 11 1 1 A 35 35 GLY CA C 35 44.707 45.492 -0.785 1
1 357 . 11 1 1 A 35 35 GLY N N 35 106.688 107.758 -1.070 1
1 358 . 11 1 1 A 36 36 SER HA H 36 4.123 4.110 0.013 1
1 360 . 11 1 1 A 36 36 SER CA C 36 61.785 62.829 -1.044 1
1 361 . 11 1 1 A 36 36 SER CB C 36 62.793 62.673 0.120 1
1 362 . 11 1 1 A 37 37 VAL HA H 37 4.155 3.707 0.448 1
1 370 . 11 1 1 A 37 37 VAL C C 37 177.048 177.167 -0.119 1
1 371 . 11 1 1 A 37 37 VAL CA C 37 64.423 64.876 -0.453 1
1 372 . 11 1 1 A 37 37 VAL CB C 37 31.486 31.581 -0.095 1
1 375 . 11 1 1 A 38 38 CYS H H 38 7.746 7.912 -0.166 1
1 376 . 11 1 1 A 38 38 CYS HA H 38 4.787 4.496 0.291 1
1 379 . 11 1 1 A 38 38 CYS C C 38 174.522 176.369 -1.847 1
1 380 . 11 1 1 A 38 38 CYS CA C 38 59.344 60.094 -0.750 1
1 381 . 11 1 1 A 38 38 CYS CB C 38 29.261 28.950 0.311 1
1 382 . 11 1 1 A 38 38 CYS N N 38 116.501 119.418 -2.917 1
1 383 . 11 1 1 A 39 39 ARG H H 39 7.633 8.089 -0.456 1
1 384 . 11 1 1 A 39 39 ARG HA H 39 3.847 3.942 -0.095 1
1 390 . 11 1 1 A 39 39 ARG C C 39 177.315 178.841 -1.526 1
1 391 . 11 1 1 A 39 39 ARG CA C 39 60.952 59.259 1.693 1
1 392 . 11 1 1 A 39 39 ARG CB C 39 30.332 29.997 0.335 1
1 395 . 11 1 1 A 39 39 ARG N N 39 122.520 122.394 0.126 1
1 396 . 11 1 1 A 40 40 GLU H H 40 8.827 8.440 0.387 1
1 397 . 11 1 1 A 40 40 GLU HA H 40 4.070 4.055 0.015 1
1 402 . 11 1 1 A 40 40 GLU C C 40 179.719 179.292 0.427 1
1 403 . 11 1 1 A 40 40 GLU CA C 40 60.065 59.250 0.815 1
1 404 . 11 1 1 A 40 40 GLU CB C 40 29.094 29.491 -0.397 1
1 406 . 11 1 1 A 40 40 GLU N N 40 116.909 117.932 -1.023 1
1 407 . 11 1 1 A 41 41 LYS H H 41 7.660 7.986 -0.326 1
1 408 . 11 1 1 A 41 41 LYS HA H 41 4.293 4.091 0.202 1
1 416 . 11 1 1 A 41 41 LYS C C 41 176.854 179.095 -2.241 1
1 417 . 11 1 1 A 41 41 LYS CA C 41 59.908 58.990 0.918 1
1 418 . 11 1 1 A 41 41 LYS CB C 41 33.704 32.079 1.625 1
1 422 . 11 1 1 A 41 41 LYS N N 41 120.497 118.714 1.783 1
1 423 . 11 1 1 A 42 42 ILE H H 42 8.050 8.001 0.049 1
1 424 . 11 1 1 A 42 42 ILE HA H 42 3.756 3.472 0.284 1
1 434 . 11 1 1 A 42 42 ILE C C 42 177.607 177.788 -0.181 1
1 435 . 11 1 1 A 42 42 ILE CA C 42 65.460 65.198 0.262 1
1 436 . 11 1 1 A 42 42 ILE CB C 42 38.516 37.796 0.720 1
1 440 . 11 1 1 A 42 42 ILE N N 42 119.276 120.391 -1.115 1
1 441 . 11 1 1 A 43 43 GLU H H 43 8.142 8.251 -0.109 1
1 442 . 11 1 1 A 43 43 GLU HA H 43 4.011 3.997 0.014 1
1 447 . 11 1 1 A 43 43 GLU C C 43 179.477 178.646 0.831 1
1 448 . 11 1 1 A 43 43 GLU CA C 43 59.340 59.319 0.021 1
1 449 . 11 1 1 A 43 43 GLU CB C 43 29.425 29.208 0.217 1
1 451 . 11 1 1 A 43 43 GLU N N 43 116.432 119.761 -3.329 1
1 452 . 11 1 1 A 44 44 ALA H H 44 8.053 8.117 -0.064 1
1 453 . 11 1 1 A 44 44 ALA HA H 44 4.217 4.216 0.001 1
1 457 . 11 1 1 A 44 44 ALA C C 44 180.958 178.934 2.024 1
1 458 . 11 1 1 A 44 44 ALA CA C 44 55.453 54.663 0.790 1
1 459 . 11 1 1 A 44 44 ALA CB C 44 18.553 19.450 -0.897 1
1 460 . 11 1 1 A 44 44 ALA N N 44 122.819 122.858 -0.039 1
1 461 . 11 1 1 A 45 45 VAL H H 45 8.400 7.281 1.119 1
1 462 . 11 1 1 A 45 45 VAL HA H 45 3.530 3.603 -0.073 1
1 470 . 11 1 1 A 45 45 VAL C C 45 176.465 177.163 -0.698 1
1 471 . 11 1 1 A 45 45 VAL CA C 45 65.075 64.713 0.362 1
1 472 . 11 1 1 A 45 45 VAL CB C 45 29.673 30.875 -1.202 1
1 475 . 11 1 1 A 45 45 VAL N N 45 120.862 116.907 3.955 1
1 476 . 11 1 1 A 46 46 ALA H H 46 8.225 7.938 0.287 1
1 477 . 11 1 1 A 46 46 ALA HA H 46 3.787 4.075 -0.288 1
1 481 . 11 1 1 A 46 46 ALA C C 46 180.205 179.594 0.611 1
1 482 . 11 1 1 A 46 46 ALA CA C 46 55.753 55.204 0.549 1
1 483 . 11 1 1 A 46 46 ALA CB C 46 18.516 18.555 -0.039 1
1 484 . 11 1 1 A 46 46 ALA N N 46 125.827 123.870 1.957 1
1 485 . 11 1 1 A 47 47 THR H H 47 7.850 7.494 0.356 1
1 486 . 11 1 1 A 47 47 THR HA H 47 4.084 4.002 0.082 1
1 491 . 11 1 1 A 47 47 THR C C 47 177.339 176.413 0.926 1
1 492 . 11 1 1 A 47 47 THR CA C 47 66.492 64.672 1.820 1
1 493 . 11 1 1 A 47 47 THR CB C 47 68.772 68.914 -0.142 1
1 495 . 11 1 1 A 47 47 THR N N 47 113.467 112.314 1.153 1
1 496 . 11 1 1 A 48 48 GLU H H 48 8.050 8.255 -0.205 1
1 497 . 11 1 1 A 48 48 GLU HA H 48 4.001 4.079 -0.078 1
1 502 . 11 1 1 A 48 48 GLU C C 48 178.457 178.052 0.405 1
1 503 . 11 1 1 A 48 48 GLU CA C 48 60.174 58.541 1.633 1
1 504 . 11 1 1 A 48 48 GLU CB C 48 29.719 29.722 -0.003 1
1 506 . 11 1 1 A 48 48 GLU N N 48 123.295 120.883 2.412 1
1 507 . 11 1 1 A 49 49 LEU H H 49 8.198 7.305 0.893 1
1 508 . 11 1 1 A 49 49 LEU HA H 49 4.215 4.337 -0.122 1
1 518 . 11 1 1 A 49 49 LEU C C 49 176.344 176.152 0.192 1
1 519 . 11 1 1 A 49 49 LEU CA C 49 55.050 54.715 0.335 1
1 520 . 11 1 1 A 49 49 LEU CB C 49 42.861 41.996 0.865 1
1 524 . 11 1 1 A 49 49 LEU N N 49 115.963 117.906 -1.943 1
1 525 . 11 1 1 A 50 50 ASN H H 50 8.008 7.665 0.343 1
1 526 . 11 1 1 A 50 50 ASN HA H 50 4.411 4.273 0.138 1
1 531 . 11 1 1 A 50 50 ASN C C 50 174.522 173.919 0.603 1
1 532 . 11 1 1 A 50 50 ASN CA C 50 54.159 54.508 -0.349 1
1 533 . 11 1 1 A 50 50 ASN CB C 50 37.446 36.648 0.798 1
1 534 . 11 1 1 A 50 50 ASN N N 50 118.398 115.793 2.605 1
1 536 . 11 1 1 A 51 51 VAL H H 51 8.240 7.455 0.785 1
1 537 . 11 1 1 A 51 51 VAL HA H 51 4.792 4.808 -0.016 1
1 545 . 11 1 1 A 51 51 VAL C C 51 174.619 174.575 0.044 1
1 546 . 11 1 1 A 51 51 VAL CA C 51 58.674 58.563 0.111 1
1 547 . 11 1 1 A 51 51 VAL CB C 51 36.102 35.218 0.884 1
1 550 . 11 1 1 A 51 51 VAL N N 51 110.142 110.871 -0.729 1
1 551 . 11 1 1 A 52 52 ASP H H 52 8.164 8.781 -0.617 1
1 552 . 11 1 1 A 52 52 ASP HA H 52 4.597 4.641 -0.044 1
1 555 . 11 1 1 A 52 52 ASP C C 52 178.262 176.922 1.340 1
1 556 . 11 1 1 A 52 52 ASP CA C 52 54.423 54.860 -0.437 1
1 557 . 11 1 1 A 52 52 ASP CB C 52 43.200 40.996 2.204 1
1 558 . 11 1 1 A 52 52 ASP N N 52 120.019 121.500 -1.481 1
1 559 . 11 1 1 A 53 53 CYS H H 53 8.967 8.915 0.052 1
1 560 . 11 1 1 A 53 53 CYS HA H 53 3.862 4.018 -0.156 1
1 563 . 11 1 1 A 53 53 CYS C C 53 176.975 177.125 -0.150 1
1 564 . 11 1 1 A 53 53 CYS CA C 53 63.438 62.629 0.809 1
1 565 . 11 1 1 A 53 53 CYS CB C 53 27.358 27.009 0.349 1
1 566 . 11 1 1 A 53 53 CYS N N 53 122.121 123.857 -1.736 1
1 567 . 11 1 1 A 54 54 GLU H H 54 9.357 8.337 1.020 1
1 568 . 11 1 1 A 54 54 GLU HA H 54 4.083 3.980 0.103 1
1 573 . 11 1 1 A 54 54 GLU C C 54 179.064 179.194 -0.130 1
1 574 . 11 1 1 A 54 54 GLU CA C 54 59.626 59.572 0.054 1
1 575 . 11 1 1 A 54 54 GLU CB C 54 29.178 29.250 -0.072 1
1 577 . 11 1 1 A 54 54 GLU N N 54 120.121 119.547 0.574 1
1 578 . 11 1 1 A 55 55 ILE H H 55 7.650 8.060 -0.410 1
1 579 . 11 1 1 A 55 55 ILE HA H 55 4.005 3.808 0.197 1
1 589 . 11 1 1 A 55 55 ILE C C 55 179.331 178.653 0.678 1
1 590 . 11 1 1 A 55 55 ILE CA C 55 63.558 65.403 -1.845 1
1 591 . 11 1 1 A 55 55 ILE CB C 55 36.988 37.931 -0.943 1
1 595 . 11 1 1 A 55 55 ILE N N 55 119.061 120.883 -1.822 1
1 596 . 11 1 1 A 56 56 VAL H H 56 6.973 8.099 -1.126 1
1 597 . 11 1 1 A 56 56 VAL HA H 56 3.651 3.673 -0.022 1
1 605 . 11 1 1 A 56 56 VAL C C 56 177.874 178.140 -0.266 1
1 606 . 11 1 1 A 56 56 VAL CA C 56 66.847 66.611 0.236 1
1 607 . 11 1 1 A 56 56 VAL CB C 56 31.486 31.764 -0.278 1
1 610 . 11 1 1 A 56 56 VAL N N 56 121.206 120.705 0.501 1
1 611 . 11 1 1 A 57 57 ARG H H 57 8.508 8.361 0.147 1
1 612 . 11 1 1 A 57 57 ARG HA H 57 3.928 4.089 -0.161 1
1 618 . 11 1 1 A 57 57 ARG C C 57 179.282 179.114 0.168 1
1 619 . 11 1 1 A 57 57 ARG CA C 57 61.095 59.966 1.129 1
1 620 . 11 1 1 A 57 57 ARG CB C 57 30.261 30.088 0.173 1
1 623 . 11 1 1 A 57 57 ARG N N 57 118.801 119.023 -0.222 1
1 624 . 11 1 1 A 58 58 THR H H 58 8.528 8.367 0.161 1
1 625 . 11 1 1 A 58 58 THR HA H 58 4.013 4.016 -0.003 1
1 630 . 11 1 1 A 58 58 THR C C 58 175.518 176.295 -0.777 1
1 631 . 11 1 1 A 58 58 THR CA C 58 66.879 66.361 0.518 1
1 632 . 11 1 1 A 58 58 THR CB C 58 68.826 68.451 0.375 1
1 634 . 11 1 1 A 58 58 THR N N 58 117.805 117.971 -0.166 1
1 635 . 11 1 1 A 59 59 TRP H H 59 7.904 7.917 -0.013 1
1 636 . 11 1 1 A 59 59 TRP HA H 59 4.228 4.412 -0.184 1
1 645 . 11 1 1 A 59 59 TRP C C 59 179.015 178.427 0.588 1
1 646 . 11 1 1 A 59 59 TRP CA C 59 63.377 61.429 1.948 1
1 647 . 11 1 1 A 59 59 TRP CB C 59 28.280 29.614 -1.334 1
1 653 . 11 1 1 A 59 59 TRP N N 59 124.326 124.298 0.028 1
1 655 . 11 1 1 A 60 60 ILE H H 60 8.799 8.063 0.736 1
1 656 . 11 1 1 A 60 60 ILE HA H 60 3.461 3.621 -0.160 1
1 666 . 11 1 1 A 60 60 ILE C C 60 178.481 177.864 0.617 1
1 667 . 11 1 1 A 60 60 ILE CA C 60 65.878 65.142 0.736 1
1 668 . 11 1 1 A 60 60 ILE CB C 60 39.399 38.240 1.159 1
1 672 . 11 1 1 A 60 60 ILE N N 60 119.831 119.781 0.050 1
1 673 . 11 1 1 A 61 61 GLY H H 61 8.659 7.835 0.824 1
1 674 . 11 1 1 A 61 61 GLY HA2 H 61 3.705 3.794 -0.089 1
1 675 . 11 1 1 A 61 61 GLY HA3 H 61 4.118 3.807 0.311 1
1 676 . 11 1 1 A 61 61 GLY C C 61 176.878 175.995 0.883 1
1 677 . 11 1 1 A 61 61 GLY CA C 61 47.388 47.308 0.080 1
1 678 . 11 1 1 A 61 61 GLY N N 61 106.205 107.930 -1.725 1
1 679 . 11 1 1 A 62 62 ASN H H 62 8.408 7.765 0.643 1
1 680 . 11 1 1 A 62 62 ASN HA H 62 4.452 4.390 0.062 1
1 685 . 11 1 1 A 62 62 ASN C C 62 177.461 177.522 -0.061 1
1 686 . 11 1 1 A 62 62 ASN CA C 62 55.480 55.887 -0.407 1
1 687 . 11 1 1 A 62 62 ASN CB C 62 37.951 37.849 0.102 1
1 688 . 11 1 1 A 62 62 ASN N N 62 120.644 119.942 0.702 1
1 690 . 11 1 1 A 63 63 ARG H H 63 7.816 7.532 0.284 1
1 691 . 11 1 1 A 63 63 ARG HA H 63 3.544 3.813 -0.269 1
1 698 . 11 1 1 A 63 63 ARG C C 63 178.189 178.405 -0.216 1
1 699 . 11 1 1 A 63 63 ARG CA C 63 59.219 59.374 -0.155 1
1 700 . 11 1 1 A 63 63 ARG CB C 63 29.077 29.686 -0.609 1
1 703 . 11 1 1 A 63 63 ARG N N 63 124.207 119.994 4.213 1
1 704 . 11 1 1 A 64 64 ARG H H 64 8.578 8.085 0.493 1
1 705 . 11 1 1 A 64 64 ARG HA H 64 4.057 3.962 0.095 1
1 712 . 11 1 1 A 64 64 ARG C C 64 179.039 178.884 0.155 1
1 713 . 11 1 1 A 64 64 ARG CA C 64 60.190 60.044 0.146 1
1 714 . 11 1 1 A 64 64 ARG CB C 64 30.579 29.878 0.701 1
1 717 . 11 1 1 A 64 64 ARG N N 64 117.839 117.972 -0.133 1
1 718 . 11 1 1 A 65 65 ARG H H 65 7.712 7.443 0.269 1
1 719 . 11 1 1 A 65 65 ARG HA H 65 4.091 4.056 0.035 1
1 726 . 11 1 1 A 65 65 ARG C C 65 178.214 178.408 -0.194 1
1 727 . 11 1 1 A 65 65 ARG CA C 65 59.556 59.267 0.289 1
1 728 . 11 1 1 A 65 65 ARG CB C 65 30.167 29.812 0.355 1
1 731 . 11 1 1 A 65 65 ARG N N 65 118.827 119.937 -1.110 1
1 732 . 11 1 1 A 66 66 LYS H H 66 7.848 8.019 -0.171 1
1 733 . 11 1 1 A 66 66 LYS HA H 66 3.997 4.010 -0.013 1
1 741 . 11 1 1 A 66 66 LYS C C 66 178.481 179.249 -0.768 1
1 742 . 11 1 1 A 66 66 LYS CA C 66 59.110 59.197 -0.087 1
1 743 . 11 1 1 A 66 66 LYS CB C 66 32.226 32.363 -0.137 1
1 747 . 11 1 1 A 66 66 LYS N N 66 120.251 117.894 2.357 1
1 748 . 11 1 1 A 67 67 TYR H H 67 8.324 8.007 0.317 1
1 749 . 11 1 1 A 67 67 TYR HA H 67 4.274 4.271 0.003 1
1 756 . 11 1 1 A 67 67 TYR C C 67 177.412 178.295 -0.883 1
1 757 . 11 1 1 A 67 67 TYR CA C 67 60.576 61.197 -0.621 1
1 758 . 11 1 1 A 67 67 TYR CB C 67 37.043 37.916 -0.873 1
1 763 . 11 1 1 A 67 67 TYR N N 67 118.725 119.822 -1.097 1
1 764 . 11 1 1 A 68 68 ARG H H 68 8.084 8.102 -0.018 1
1 765 . 11 1 1 A 68 68 ARG HA H 68 4.218 4.146 0.072 1
1 772 . 11 1 1 A 68 68 ARG C C 68 179.209 178.563 0.646 1
1 773 . 11 1 1 A 68 68 ARG CA C 68 58.616 59.325 -0.709 1
1 774 . 11 1 1 A 68 68 ARG CB C 68 29.343 30.070 -0.727 1
1 777 . 11 1 1 A 68 68 ARG N N 68 119.763 120.149 -0.386 1
1 778 . 11 1 1 A 69 69 LEU H H 69 8.168 8.371 -0.203 1
1 779 . 11 1 1 A 69 69 LEU HA H 69 4.244 4.001 0.243 1
1 789 . 11 1 1 A 69 69 LEU C C 69 178.457 179.204 -0.747 1
1 790 . 11 1 1 A 69 69 LEU CA C 69 56.981 57.936 -0.955 1
1 791 . 11 1 1 A 69 69 LEU CB C 69 41.955 41.434 0.521 1
1 795 . 11 1 1 A 69 69 LEU N N 69 120.874 119.782 1.092 1
1 796 . 11 1 1 A 70 70 MET H H 70 7.942 7.563 0.379 1
1 797 . 11 1 1 A 70 70 MET HA H 70 4.440 4.444 -0.004 1
1 805 . 11 1 1 A 70 70 MET C C 70 176.417 176.214 0.203 1
1 806 . 11 1 1 A 70 70 MET CA C 70 55.958 55.655 0.303 1
1 807 . 11 1 1 A 70 70 MET CB C 70 33.711 33.061 0.650 1
1 810 . 11 1 1 A 70 70 MET N N 70 117.335 116.214 1.121 1
1 811 . 11 1 1 A 71 71 GLY H H 71 8.107 7.862 0.245 1
1 812 . 11 1 1 A 71 71 GLY HA2 H 71 3.906 4.034 -0.128 1
1 813 . 11 1 1 A 71 71 GLY HA3 H 71 4.055 4.043 0.012 1
1 814 . 11 1 1 A 71 71 GLY C C 71 174.255 174.204 0.051 1
1 815 . 11 1 1 A 71 71 GLY CA C 71 45.852 45.332 0.520 1
1 816 . 11 1 1 A 71 71 GLY N N 71 109.096 107.009 2.087 1
1 817 . 11 1 1 A 72 72 ILE H H 72 8.036 7.654 0.382 1
1 818 . 11 1 1 A 72 72 ILE HA H 72 4.197 4.677 -0.480 1
1 828 . 11 1 1 A 72 72 ILE C C 72 175.712 175.334 0.378 1
1 829 . 11 1 1 A 72 72 ILE CA C 72 60.626 59.915 0.711 1
1 830 . 11 1 1 A 72 72 ILE CB C 72 39.203 40.271 -1.068 1
1 834 . 11 1 1 A 72 72 ILE N N 72 120.615 120.349 0.266 1
1 835 . 11 1 1 A 73 73 GLU H H 73 8.523 9.030 -0.507 1
1 836 . 11 1 1 A 73 73 GLU HA H 73 4.306 5.069 -0.763 1
1 841 . 11 1 1 A 73 73 GLU C C 73 176.417 175.581 0.836 1
1 842 . 11 1 1 A 73 73 GLU CA C 73 56.551 54.802 1.749 1
1 843 . 11 1 1 A 73 73 GLU CB C 73 30.167 32.986 -2.819 1
1 845 . 11 1 1 A 73 73 GLU N N 73 125.837 122.400 3.437 1
1 846 . 11 1 1 A 74 74 VAL H H 74 8.319 8.778 -0.459 1
1 847 . 11 1 1 A 74 74 VAL HA H 74 4.187 4.809 -0.622 1
1 855 . 11 1 1 A 74 74 VAL C C 74 176.052 174.878 1.174 1
1 856 . 11 1 1 A 74 74 VAL CA C 74 62.103 59.077 3.026 1
1 857 . 11 1 1 A 74 74 VAL CB C 74 33.063 35.151 -2.088 1
1 860 . 11 1 1 A 74 74 VAL N N 74 122.642 117.582 5.060 1
1 861 . 11 1 1 A 75 75 SER H H 75 8.460 8.664 -0.204 1
1 862 . 11 1 1 A 75 75 SER HA H 75 4.469 4.353 0.116 1
1 865 . 11 1 1 A 75 75 SER C C 75 174.547 175.352 -0.805 1
1 866 . 11 1 1 A 75 75 SER CA C 75 58.413 59.283 -0.870 1
1 867 . 11 1 1 A 75 75 SER CB C 75 64.015 63.086 0.929 1
1 868 . 11 1 1 A 75 75 SER N N 75 120.411 117.867 2.544 1
1 869 . 11 1 1 A 76 76 GLY H H 76 8.307 8.765 -0.458 1
1 870 . 11 1 1 A 76 76 GLY HA2 H 76 4.096 4.207 -0.111 1
1 871 . 11 1 1 A 76 76 GLY C C 76 171.729 173.228 -1.499 1
1 872 . 11 1 1 A 76 76 GLY CA C 76 44.566 43.812 0.754 1
1 873 . 11 1 1 A 76 76 GLY N N 76 110.975 111.288 -0.313 1
1 874 . 11 1 1 A 77 77 PRO HA H 77 4.508 4.623 -0.115 1
1 880 . 11 1 1 A 77 77 PRO CA C 77 63.054 62.534 0.520 1
1 881 . 11 1 1 A 77 77 PRO CB C 77 32.299 32.680 -0.381 1
1 884 . 11 1 1 A 79 79 SER HA H 79 4.507 4.717 -0.210 1
1 887 . 11 1 1 A 79 79 SER C C 79 173.939 175.270 -1.331 1
1 888 . 11 1 1 A 79 79 SER CA C 79 58.427 58.566 -0.139 1
1 889 . 11 1 1 A 79 79 SER CB C 79 64.293 62.688 1.605 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.969 4.114 -0.145 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.969 4.114 -0.145 1
1 3 . 12 1 1 A 7 7 GLY C C 7 173.939 172.282 1.657 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.342 45.878 -0.536 1
1 5 . 12 1 1 A 8 8 ALA H H 8 8.128 8.089 0.039 1
1 6 . 12 1 1 A 8 8 ALA HA H 8 4.329 4.834 -0.505 1
1 10 . 12 1 1 A 8 8 ALA C C 8 177.971 177.734 0.237 1
1 11 . 12 1 1 A 8 8 ALA CA C 8 52.565 51.121 1.444 1
1 12 . 12 1 1 A 8 8 ALA CB C 8 19.287 20.215 -0.928 1
1 13 . 12 1 1 A 8 8 ALA N N 8 123.703 126.115 -2.412 1
1 14 . 12 1 1 A 9 9 LEU H H 9 8.240 8.324 -0.084 1
1 15 . 12 1 1 A 9 9 LEU HA H 9 4.304 4.710 -0.406 1
1 25 . 12 1 1 A 9 9 LEU C C 9 177.655 176.245 1.410 1
1 26 . 12 1 1 A 9 9 LEU CA C 9 55.570 53.386 2.184 1
1 27 . 12 1 1 A 9 9 LEU CB C 9 42.202 44.190 -1.988 1
1 31 . 12 1 1 A 9 9 LEU N N 9 121.161 118.464 2.697 1
1 32 . 12 1 1 A 10 10 GLN H H 10 8.305 9.096 -0.791 1
1 33 . 12 1 1 A 10 10 GLN HA H 10 4.313 4.509 -0.196 1
1 40 . 12 1 1 A 10 10 GLN C C 10 175.737 174.953 0.784 1
1 41 . 12 1 1 A 10 10 GLN CA C 10 56.099 57.386 -1.287 1
1 42 . 12 1 1 A 10 10 GLN CB C 10 29.425 31.619 -2.194 1
1 44 . 12 1 1 A 10 10 GLN N N 10 120.538 119.698 0.840 1
1 46 . 12 1 1 A 11 11 ASP H H 11 8.306 7.948 0.358 1
1 47 . 12 1 1 A 11 11 ASP HA H 11 4.589 5.127 -0.538 1
1 50 . 12 1 1 A 11 11 ASP C C 11 176.319 174.325 1.994 1
1 51 . 12 1 1 A 11 11 ASP CA C 11 54.583 52.542 2.041 1
1 52 . 12 1 1 A 11 11 ASP CB C 11 41.204 43.919 -2.715 1
1 53 . 12 1 1 A 11 11 ASP N N 11 121.418 115.232 6.186 1
1 54 . 12 1 1 A 12 12 ARG H H 12 8.257 8.898 -0.641 1
1 55 . 12 1 1 A 12 12 ARG HA H 12 4.408 4.866 -0.458 1
1 62 . 12 1 1 A 12 12 ARG C C 12 176.295 175.334 0.961 1
1 63 . 12 1 1 A 12 12 ARG CA C 12 56.088 54.054 2.034 1
1 64 . 12 1 1 A 12 12 ARG CB C 12 30.579 33.733 -3.154 1
1 67 . 12 1 1 A 12 12 ARG N N 12 121.271 121.948 -0.677 1
1 68 . 12 1 1 A 13 13 THR H H 13 8.189 8.542 -0.353 1
1 69 . 12 1 1 A 13 13 THR HA H 13 4.193 4.748 -0.555 1
1 74 . 12 1 1 A 13 13 THR C C 13 174.121 173.965 0.156 1
1 75 . 12 1 1 A 13 13 THR CA C 13 62.448 62.266 0.182 1
1 76 . 12 1 1 A 13 13 THR CB C 13 69.697 69.223 0.474 1
1 78 . 12 1 1 A 13 13 THR N N 13 114.810 116.929 -2.119 1
1 79 . 12 1 1 A 14 14 GLN H H 14 8.130 8.862 -0.732 1
1 80 . 12 1 1 A 14 14 GLN HA H 14 4.314 5.012 -0.698 1
1 87 . 12 1 1 A 14 14 GLN C C 14 175.275 175.832 -0.557 1
1 88 . 12 1 1 A 14 14 GLN CA C 14 55.253 54.674 0.579 1
1 89 . 12 1 1 A 14 14 GLN CB C 14 29.838 30.803 -0.965 1
1 91 . 12 1 1 A 14 14 GLN N N 14 122.533 125.924 -3.391 1
1 93 . 12 1 1 A 15 15 PHE H H 15 8.151 9.047 -0.896 1
1 94 . 12 1 1 A 15 15 PHE HA H 15 5.009 4.732 0.277 1
1 102 . 12 1 1 A 15 15 PHE C C 15 176.465 175.814 0.651 1
1 103 . 12 1 1 A 15 15 PHE CA C 15 57.157 58.046 -0.889 1
1 104 . 12 1 1 A 15 15 PHE CB C 15 40.996 39.858 1.138 1
1 110 . 12 1 1 A 15 15 PHE N N 15 120.835 121.160 -0.325 1
1 111 . 12 1 1 A 16 16 SER H H 16 9.565 9.079 0.486 1
1 112 . 12 1 1 A 16 16 SER HA H 16 4.610 4.557 0.053 1
1 115 . 12 1 1 A 16 16 SER C C 16 174.547 175.543 -0.996 1
1 116 . 12 1 1 A 16 16 SER CA C 16 56.946 59.120 -2.174 1
1 117 . 12 1 1 A 16 16 SER CB C 16 65.545 63.357 2.188 1
1 118 . 12 1 1 A 16 16 SER N N 16 119.442 119.739 -0.297 1
1 119 . 12 1 1 A 17 17 ASP H H 17 8.947 8.856 0.091 1
1 120 . 12 1 1 A 17 17 ASP HA H 17 4.386 4.247 0.139 1
1 123 . 12 1 1 A 17 17 ASP C C 17 179.331 178.210 1.121 1
1 124 . 12 1 1 A 17 17 ASP CA C 17 58.074 58.066 0.008 1
1 125 . 12 1 1 A 17 17 ASP CB C 17 39.875 40.361 -0.486 1
1 126 . 12 1 1 A 17 17 ASP N N 17 120.645 125.182 -4.537 1
1 127 . 12 1 1 A 18 18 ARG H H 18 8.302 8.141 0.161 1
1 128 . 12 1 1 A 18 18 ARG HA H 18 4.098 4.066 0.032 1
1 135 . 12 1 1 A 18 18 ARG C C 18 178.699 178.792 -0.093 1
1 136 . 12 1 1 A 18 18 ARG CA C 18 59.203 59.399 -0.196 1
1 137 . 12 1 1 A 18 18 ARG CB C 18 29.920 30.181 -0.261 1
1 140 . 12 1 1 A 18 18 ARG N N 18 121.398 119.412 1.986 1
1 141 . 12 1 1 A 19 19 ASP H H 19 7.853 8.113 -0.260 1
1 142 . 12 1 1 A 19 19 ASP HA H 19 4.151 4.311 -0.160 1
1 145 . 12 1 1 A 19 19 ASP C C 19 178.384 178.980 -0.596 1
1 146 . 12 1 1 A 19 19 ASP CA C 19 57.348 57.275 0.073 1
1 147 . 12 1 1 A 19 19 ASP CB C 19 40.392 40.637 -0.245 1
1 148 . 12 1 1 A 19 19 ASP N N 19 122.636 120.003 2.633 1
1 149 . 12 1 1 A 20 20 LEU H H 20 8.335 8.470 -0.135 1
1 150 . 12 1 1 A 20 20 LEU HA H 20 3.635 3.696 -0.061 1
1 160 . 12 1 1 A 20 20 LEU C C 20 179.234 178.814 0.420 1
1 161 . 12 1 1 A 20 20 LEU CA C 20 57.587 57.897 -0.310 1
1 162 . 12 1 1 A 20 20 LEU CB C 20 41.658 41.466 0.192 1
1 166 . 12 1 1 A 20 20 LEU N N 20 118.845 119.765 -0.920 1
1 167 . 12 1 1 A 21 21 ALA H H 21 7.905 8.297 -0.392 1
1 168 . 12 1 1 A 21 21 ALA HA H 21 4.123 4.075 0.048 1
1 172 . 12 1 1 A 21 21 ALA C C 21 181.031 179.860 1.171 1
1 173 . 12 1 1 A 21 21 ALA CA C 21 55.103 55.538 -0.435 1
1 174 . 12 1 1 A 21 21 ALA CB C 21 17.709 18.747 -1.038 1
1 175 . 12 1 1 A 21 21 ALA N N 21 122.007 120.439 1.568 1
1 176 . 12 1 1 A 22 22 THR H H 22 7.886 7.880 0.006 1
1 177 . 12 1 1 A 22 22 THR HA H 22 3.954 3.894 0.060 1
1 182 . 12 1 1 A 22 22 THR C C 22 175.834 176.342 -0.508 1
1 183 . 12 1 1 A 22 22 THR CA C 22 67.081 67.482 -0.401 1
1 184 . 12 1 1 A 22 22 THR CB C 22 68.253 69.050 -0.797 1
1 186 . 12 1 1 A 22 22 THR N N 22 119.042 114.091 4.951 1
1 187 . 12 1 1 A 23 23 LEU H H 23 8.036 7.890 0.146 1
1 188 . 12 1 1 A 23 23 LEU HA H 23 3.404 3.745 -0.341 1
1 198 . 12 1 1 A 23 23 LEU C C 23 178.335 178.843 -0.508 1
1 199 . 12 1 1 A 23 23 LEU CA C 23 59.230 58.130 1.100 1
1 200 . 12 1 1 A 23 23 LEU CB C 23 39.399 41.245 -1.846 1
1 204 . 12 1 1 A 23 23 LEU N N 23 123.450 120.090 3.360 1
1 205 . 12 1 1 A 24 24 LYS H H 24 8.166 8.266 -0.100 1
1 206 . 12 1 1 A 24 24 LYS HA H 24 4.074 4.129 -0.055 1
1 215 . 12 1 1 A 24 24 LYS C C 24 177.631 178.982 -1.351 1
1 216 . 12 1 1 A 24 24 LYS CA C 24 60.367 59.876 0.491 1
1 217 . 12 1 1 A 24 24 LYS CB C 24 32.554 32.258 0.296 1
1 221 . 12 1 1 A 24 24 LYS N N 24 117.974 119.018 -1.044 1
1 222 . 12 1 1 A 25 25 LYS H H 25 7.837 7.957 -0.120 1
1 223 . 12 1 1 A 25 25 LYS HA H 25 4.205 4.047 0.158 1
1 232 . 12 1 1 A 25 25 LYS C C 25 179.695 178.663 1.032 1
1 233 . 12 1 1 A 25 25 LYS CA C 25 59.704 59.176 0.528 1
1 234 . 12 1 1 A 25 25 LYS CB C 25 31.816 32.179 -0.363 1
1 238 . 12 1 1 A 25 25 LYS N N 25 120.567 119.149 1.418 1
1 239 . 12 1 1 A 26 26 TYR H H 26 8.158 8.234 -0.076 1
1 240 . 12 1 1 A 26 26 TYR HA H 26 4.089 4.216 -0.127 1
1 247 . 12 1 1 A 26 26 TYR C C 26 180.035 178.707 1.328 1
1 248 . 12 1 1 A 26 26 TYR CA C 26 63.104 60.343 2.761 1
1 249 . 12 1 1 A 26 26 TYR CB C 26 36.926 38.082 -1.156 1
1 254 . 12 1 1 A 26 26 TYR N N 26 118.591 118.731 -0.140 1
1 255 . 12 1 1 A 27 27 TRP H H 27 9.294 8.286 1.008 1
1 256 . 12 1 1 A 27 27 TRP HA H 27 4.349 4.415 -0.066 1
1 265 . 12 1 1 A 27 27 TRP C C 27 179.209 178.596 0.613 1
1 266 . 12 1 1 A 27 27 TRP CA C 27 61.357 60.911 0.446 1
1 267 . 12 1 1 A 27 27 TRP CB C 27 28.481 30.077 -1.596 1
1 273 . 12 1 1 A 27 27 TRP N N 27 125.036 122.438 2.598 1
1 275 . 12 1 1 A 28 28 ASP H H 28 9.354 8.105 1.249 1
1 276 . 12 1 1 A 28 28 ASP HA H 28 4.479 4.642 -0.163 1
1 279 . 12 1 1 A 28 28 ASP C C 28 176.999 177.400 -0.401 1
1 280 . 12 1 1 A 28 28 ASP CA C 28 57.024 57.358 -0.334 1
1 281 . 12 1 1 A 28 28 ASP CB C 28 39.894 41.429 -1.535 1
1 282 . 12 1 1 A 28 28 ASP N N 28 121.650 119.274 2.376 1
1 283 . 12 1 1 A 29 29 ASN H H 29 7.569 8.348 -0.779 1
1 284 . 12 1 1 A 29 29 ASN HA H 29 4.905 4.810 0.095 1
1 289 . 12 1 1 A 29 29 ASN C C 29 174.935 175.345 -0.410 1
1 290 . 12 1 1 A 29 29 ASN CA C 29 52.819 53.077 -0.258 1
1 291 . 12 1 1 A 29 29 ASN CB C 29 39.320 38.867 0.453 1
1 292 . 12 1 1 A 29 29 ASN N N 29 116.912 115.470 1.442 1
1 294 . 12 1 1 A 30 30 GLY H H 30 7.695 7.816 -0.121 1
1 295 . 12 1 1 A 30 30 GLY HA2 H 30 3.603 3.655 -0.052 1
1 296 . 12 1 1 A 30 30 GLY HA3 H 30 4.489 3.810 0.679 1
1 297 . 12 1 1 A 30 30 GLY C C 30 174.571 175.048 -0.477 1
1 298 . 12 1 1 A 30 30 GLY CA C 30 45.332 46.505 -1.173 1
1 299 . 12 1 1 A 30 30 GLY N N 30 105.356 107.626 -2.270 1
1 300 . 12 1 1 A 31 31 MET H H 31 8.574 7.890 0.684 1
1 301 . 12 1 1 A 31 31 MET HA H 31 4.769 4.131 0.638 1
1 309 . 12 1 1 A 31 31 MET C C 31 173.381 177.889 -4.508 1
1 310 . 12 1 1 A 31 31 MET CA C 31 54.301 58.338 -4.037 1
1 311 . 12 1 1 A 31 31 MET CB C 31 31.899 32.044 -0.145 1
1 314 . 12 1 1 A 31 31 MET N N 31 125.209 121.420 3.789 1
1 315 . 12 1 1 A 32 32 THR H H 32 7.284 7.539 -0.255 1
1 316 . 12 1 1 A 32 32 THR HA H 32 4.003 3.701 0.302 1
1 321 . 12 1 1 A 32 32 THR C C 32 173.721 174.803 -1.082 1
1 322 . 12 1 1 A 32 32 THR CA C 32 59.873 64.732 -4.859 1
1 323 . 12 1 1 A 32 32 THR CB C 32 69.651 67.969 1.682 1
1 325 . 12 1 1 A 32 32 THR N N 32 108.409 113.713 -5.304 1
1 326 . 12 1 1 A 33 33 SER H H 33 7.809 7.479 0.330 1
1 327 . 12 1 1 A 33 33 SER HA H 33 4.614 4.267 0.347 1
1 330 . 12 1 1 A 33 33 SER C C 33 171.608 173.531 -1.923 1
1 331 . 12 1 1 A 33 33 SER CA C 33 56.764 59.605 -2.841 1
1 332 . 12 1 1 A 33 33 SER CB C 33 65.653 63.570 2.083 1
1 333 . 12 1 1 A 33 33 SER N N 33 115.742 116.491 -0.749 1
1 334 . 12 1 1 A 34 34 LEU H H 34 8.284 8.562 -0.278 1
1 335 . 12 1 1 A 34 34 LEU HA H 34 4.488 4.381 0.107 1
1 345 . 12 1 1 A 34 34 LEU C C 34 178.335 177.853 0.482 1
1 346 . 12 1 1 A 34 34 LEU CA C 34 54.583 56.422 -1.839 1
1 347 . 12 1 1 A 34 34 LEU CB C 34 41.872 42.201 -0.329 1
1 351 . 12 1 1 A 34 34 LEU N N 34 116.566 125.829 -9.263 1
1 352 . 12 1 1 A 35 35 GLY H H 35 8.159 8.090 0.069 1
1 353 . 12 1 1 A 35 35 GLY HA2 H 35 4.239 3.882 0.357 1
1 354 . 12 1 1 A 35 35 GLY HA3 H 35 3.949 3.888 0.061 1
1 355 . 12 1 1 A 35 35 GLY C C 35 175.299 175.857 -0.558 1
1 356 . 12 1 1 A 35 35 GLY CA C 35 44.707 45.601 -0.894 1
1 357 . 12 1 1 A 35 35 GLY N N 35 106.688 107.729 -1.041 1
1 358 . 12 1 1 A 36 36 SER HA H 36 4.123 4.119 0.004 1
1 360 . 12 1 1 A 36 36 SER CA C 36 61.785 61.712 0.073 1
1 361 . 12 1 1 A 36 36 SER CB C 36 62.793 62.871 -0.078 1
1 362 . 12 1 1 A 37 37 VAL HA H 37 4.155 3.908 0.247 1
1 370 . 12 1 1 A 37 37 VAL C C 37 177.048 177.868 -0.820 1
1 371 . 12 1 1 A 37 37 VAL CA C 37 64.423 65.409 -0.986 1
1 372 . 12 1 1 A 37 37 VAL CB C 37 31.486 31.659 -0.173 1
1 375 . 12 1 1 A 38 38 CYS H H 38 7.746 8.261 -0.515 1
1 376 . 12 1 1 A 38 38 CYS HA H 38 4.787 4.446 0.341 1
1 379 . 12 1 1 A 38 38 CYS C C 38 174.522 176.922 -2.400 1
1 380 . 12 1 1 A 38 38 CYS CA C 38 59.344 61.436 -2.092 1
1 381 . 12 1 1 A 38 38 CYS CB C 38 29.261 28.450 0.811 1
1 382 . 12 1 1 A 38 38 CYS N N 38 116.501 120.399 -3.898 1
1 383 . 12 1 1 A 39 39 ARG H H 39 7.633 8.000 -0.367 1
1 384 . 12 1 1 A 39 39 ARG HA H 39 3.847 3.951 -0.104 1
1 390 . 12 1 1 A 39 39 ARG C C 39 177.315 178.913 -1.598 1
1 391 . 12 1 1 A 39 39 ARG CA C 39 60.952 59.280 1.672 1
1 392 . 12 1 1 A 39 39 ARG CB C 39 30.332 30.024 0.308 1
1 395 . 12 1 1 A 39 39 ARG N N 39 122.520 122.593 -0.073 1
1 396 . 12 1 1 A 40 40 GLU H H 40 8.827 8.386 0.441 1
1 397 . 12 1 1 A 40 40 GLU HA H 40 4.070 4.052 0.018 1
1 402 . 12 1 1 A 40 40 GLU C C 40 179.719 179.299 0.420 1
1 403 . 12 1 1 A 40 40 GLU CA C 40 60.065 59.183 0.882 1
1 404 . 12 1 1 A 40 40 GLU CB C 40 29.094 29.196 -0.102 1
1 406 . 12 1 1 A 40 40 GLU N N 40 116.909 117.973 -1.064 1
1 407 . 12 1 1 A 41 41 LYS H H 41 7.660 7.829 -0.169 1
1 408 . 12 1 1 A 41 41 LYS HA H 41 4.293 4.143 0.150 1
1 416 . 12 1 1 A 41 41 LYS C C 41 176.854 179.355 -2.501 1
1 417 . 12 1 1 A 41 41 LYS CA C 41 59.908 59.420 0.488 1
1 418 . 12 1 1 A 41 41 LYS CB C 41 33.704 32.396 1.308 1
1 422 . 12 1 1 A 41 41 LYS N N 41 120.497 119.047 1.450 1
1 423 . 12 1 1 A 42 42 ILE H H 42 8.050 8.076 -0.026 1
1 424 . 12 1 1 A 42 42 ILE HA H 42 3.756 3.575 0.181 1
1 434 . 12 1 1 A 42 42 ILE C C 42 177.607 177.732 -0.125 1
1 435 . 12 1 1 A 42 42 ILE CA C 42 65.460 65.182 0.278 1
1 436 . 12 1 1 A 42 42 ILE CB C 42 38.516 37.693 0.823 1
1 440 . 12 1 1 A 42 42 ILE N N 42 119.276 120.613 -1.337 1
1 441 . 12 1 1 A 43 43 GLU H H 43 8.142 8.251 -0.109 1
1 442 . 12 1 1 A 43 43 GLU HA H 43 4.011 4.042 -0.031 1
1 447 . 12 1 1 A 43 43 GLU C C 43 179.477 178.954 0.523 1
1 448 . 12 1 1 A 43 43 GLU CA C 43 59.340 59.421 -0.081 1
1 449 . 12 1 1 A 43 43 GLU CB C 43 29.425 29.211 0.214 1
1 451 . 12 1 1 A 43 43 GLU N N 43 116.432 120.074 -3.642 1
1 452 . 12 1 1 A 44 44 ALA H H 44 8.053 8.270 -0.217 1
1 453 . 12 1 1 A 44 44 ALA HA H 44 4.217 4.182 0.035 1
1 457 . 12 1 1 A 44 44 ALA C C 44 180.958 178.966 1.992 1
1 458 . 12 1 1 A 44 44 ALA CA C 44 55.453 54.905 0.548 1
1 459 . 12 1 1 A 44 44 ALA CB C 44 18.553 19.365 -0.812 1
1 460 . 12 1 1 A 44 44 ALA N N 44 122.819 122.879 -0.060 1
1 461 . 12 1 1 A 45 45 VAL H H 45 8.400 7.517 0.883 1
1 462 . 12 1 1 A 45 45 VAL HA H 45 3.530 3.499 0.031 1
1 470 . 12 1 1 A 45 45 VAL C C 45 176.465 176.793 -0.328 1
1 471 . 12 1 1 A 45 45 VAL CA C 45 65.075 64.370 0.705 1
1 472 . 12 1 1 A 45 45 VAL CB C 45 29.673 30.675 -1.002 1
1 475 . 12 1 1 A 45 45 VAL N N 45 120.862 116.854 4.008 1
1 476 . 12 1 1 A 46 46 ALA H H 46 8.225 7.929 0.296 1
1 477 . 12 1 1 A 46 46 ALA HA H 46 3.787 4.119 -0.332 1
1 481 . 12 1 1 A 46 46 ALA C C 46 180.205 179.737 0.468 1
1 482 . 12 1 1 A 46 46 ALA CA C 46 55.753 54.866 0.887 1
1 483 . 12 1 1 A 46 46 ALA CB C 46 18.516 18.655 -0.139 1
1 484 . 12 1 1 A 46 46 ALA N N 46 125.827 123.464 2.363 1
1 485 . 12 1 1 A 47 47 THR H H 47 7.850 7.336 0.514 1
1 486 . 12 1 1 A 47 47 THR HA H 47 4.084 4.000 0.084 1
1 491 . 12 1 1 A 47 47 THR C C 47 177.339 176.453 0.886 1
1 492 . 12 1 1 A 47 47 THR CA C 47 66.492 64.646 1.846 1
1 493 . 12 1 1 A 47 47 THR CB C 47 68.772 68.915 -0.143 1
1 495 . 12 1 1 A 47 47 THR N N 47 113.467 112.357 1.110 1
1 496 . 12 1 1 A 48 48 GLU H H 48 8.050 8.160 -0.110 1
1 497 . 12 1 1 A 48 48 GLU HA H 48 4.001 4.076 -0.075 1
1 502 . 12 1 1 A 48 48 GLU C C 48 178.457 178.405 0.052 1
1 503 . 12 1 1 A 48 48 GLU CA C 48 60.174 58.583 1.591 1
1 504 . 12 1 1 A 48 48 GLU CB C 48 29.719 29.686 0.033 1
1 506 . 12 1 1 A 48 48 GLU N N 48 123.295 120.839 2.456 1
1 507 . 12 1 1 A 49 49 LEU H H 49 8.198 7.477 0.721 1
1 508 . 12 1 1 A 49 49 LEU HA H 49 4.215 4.267 -0.052 1
1 518 . 12 1 1 A 49 49 LEU C C 49 176.344 176.392 -0.048 1
1 519 . 12 1 1 A 49 49 LEU CA C 49 55.050 54.882 0.168 1
1 520 . 12 1 1 A 49 49 LEU CB C 49 42.861 42.071 0.790 1
1 524 . 12 1 1 A 49 49 LEU N N 49 115.963 118.042 -2.079 1
1 525 . 12 1 1 A 50 50 ASN H H 50 8.008 7.838 0.170 1
1 526 . 12 1 1 A 50 50 ASN HA H 50 4.411 4.328 0.083 1
1 531 . 12 1 1 A 50 50 ASN C C 50 174.522 173.882 0.640 1
1 532 . 12 1 1 A 50 50 ASN CA C 50 54.159 54.232 -0.073 1
1 533 . 12 1 1 A 50 50 ASN CB C 50 37.446 37.385 0.061 1
1 534 . 12 1 1 A 50 50 ASN N N 50 118.398 117.961 0.437 1
1 536 . 12 1 1 A 51 51 VAL H H 51 8.240 7.748 0.492 1
1 537 . 12 1 1 A 51 51 VAL HA H 51 4.792 4.774 0.018 1
1 545 . 12 1 1 A 51 51 VAL C C 51 174.619 174.448 0.171 1
1 546 . 12 1 1 A 51 51 VAL CA C 51 58.674 58.967 -0.293 1
1 547 . 12 1 1 A 51 51 VAL CB C 51 36.102 35.308 0.794 1
1 550 . 12 1 1 A 51 51 VAL N N 51 110.142 113.622 -3.480 1
1 551 . 12 1 1 A 52 52 ASP H H 52 8.164 8.702 -0.538 1
1 552 . 12 1 1 A 52 52 ASP HA H 52 4.597 4.369 0.228 1
1 555 . 12 1 1 A 52 52 ASP C C 52 178.262 177.421 0.841 1
1 556 . 12 1 1 A 52 52 ASP CA C 52 54.423 54.910 -0.487 1
1 557 . 12 1 1 A 52 52 ASP CB C 52 43.200 42.132 1.068 1
1 558 . 12 1 1 A 52 52 ASP N N 52 120.019 124.758 -4.739 1
1 559 . 12 1 1 A 53 53 CYS H H 53 8.967 8.940 0.027 1
1 560 . 12 1 1 A 53 53 CYS HA H 53 3.862 4.022 -0.160 1
1 563 . 12 1 1 A 53 53 CYS C C 53 176.975 176.798 0.177 1
1 564 . 12 1 1 A 53 53 CYS CA C 53 63.438 62.462 0.976 1
1 565 . 12 1 1 A 53 53 CYS CB C 53 27.358 26.955 0.403 1
1 566 . 12 1 1 A 53 53 CYS N N 53 122.121 125.168 -3.047 1
1 567 . 12 1 1 A 54 54 GLU H H 54 9.357 7.966 1.391 1
1 568 . 12 1 1 A 54 54 GLU HA H 54 4.083 4.080 0.003 1
1 573 . 12 1 1 A 54 54 GLU C C 54 179.064 179.224 -0.160 1
1 574 . 12 1 1 A 54 54 GLU CA C 54 59.626 59.583 0.043 1
1 575 . 12 1 1 A 54 54 GLU CB C 54 29.178 29.423 -0.245 1
1 577 . 12 1 1 A 54 54 GLU N N 54 120.121 120.895 -0.774 1
1 578 . 12 1 1 A 55 55 ILE H H 55 7.650 8.177 -0.527 1
1 579 . 12 1 1 A 55 55 ILE HA H 55 4.005 3.826 0.179 1
1 589 . 12 1 1 A 55 55 ILE C C 55 179.331 178.592 0.739 1
1 590 . 12 1 1 A 55 55 ILE CA C 55 63.558 65.451 -1.893 1
1 591 . 12 1 1 A 55 55 ILE CB C 55 36.988 37.963 -0.975 1
1 595 . 12 1 1 A 55 55 ILE N N 55 119.061 120.063 -1.002 1
1 596 . 12 1 1 A 56 56 VAL H H 56 6.973 8.194 -1.221 1
1 597 . 12 1 1 A 56 56 VAL HA H 56 3.651 3.627 0.024 1
1 605 . 12 1 1 A 56 56 VAL C C 56 177.874 178.106 -0.232 1
1 606 . 12 1 1 A 56 56 VAL CA C 56 66.847 66.379 0.468 1
1 607 . 12 1 1 A 56 56 VAL CB C 56 31.486 31.718 -0.232 1
1 610 . 12 1 1 A 56 56 VAL N N 56 121.206 120.642 0.564 1
1 611 . 12 1 1 A 57 57 ARG H H 57 8.508 8.180 0.328 1
1 612 . 12 1 1 A 57 57 ARG HA H 57 3.928 4.052 -0.124 1
1 618 . 12 1 1 A 57 57 ARG C C 57 179.282 178.549 0.733 1
1 619 . 12 1 1 A 57 57 ARG CA C 57 61.095 59.300 1.795 1
1 620 . 12 1 1 A 57 57 ARG CB C 57 30.261 30.107 0.154 1
1 623 . 12 1 1 A 57 57 ARG N N 57 118.801 120.283 -1.482 1
1 624 . 12 1 1 A 58 58 THR H H 58 8.528 8.183 0.345 1
1 625 . 12 1 1 A 58 58 THR HA H 58 4.013 3.980 0.033 1
1 630 . 12 1 1 A 58 58 THR C C 58 175.518 176.120 -0.602 1
1 631 . 12 1 1 A 58 58 THR CA C 58 66.879 66.507 0.372 1
1 632 . 12 1 1 A 58 58 THR CB C 58 68.826 68.316 0.510 1
1 634 . 12 1 1 A 58 58 THR N N 58 117.805 115.708 2.097 1
1 635 . 12 1 1 A 59 59 TRP H H 59 7.904 7.850 0.054 1
1 636 . 12 1 1 A 59 59 TRP HA H 59 4.228 4.318 -0.090 1
1 645 . 12 1 1 A 59 59 TRP C C 59 179.015 178.472 0.543 1
1 646 . 12 1 1 A 59 59 TRP CA C 59 63.377 61.319 2.058 1
1 647 . 12 1 1 A 59 59 TRP CB C 59 28.280 29.462 -1.182 1
1 653 . 12 1 1 A 59 59 TRP N N 59 124.326 123.595 0.731 1
1 655 . 12 1 1 A 60 60 ILE H H 60 8.799 8.533 0.266 1
1 656 . 12 1 1 A 60 60 ILE HA H 60 3.461 3.599 -0.138 1
1 666 . 12 1 1 A 60 60 ILE C C 60 178.481 177.869 0.612 1
1 667 . 12 1 1 A 60 60 ILE CA C 60 65.878 65.159 0.719 1
1 668 . 12 1 1 A 60 60 ILE CB C 60 39.399 38.176 1.223 1
1 672 . 12 1 1 A 60 60 ILE N N 60 119.831 119.632 0.199 1
1 673 . 12 1 1 A 61 61 GLY H H 61 8.659 7.739 0.920 1
1 674 . 12 1 1 A 61 61 GLY HA2 H 61 3.705 3.765 -0.060 1
1 675 . 12 1 1 A 61 61 GLY HA3 H 61 4.118 3.772 0.346 1
1 676 . 12 1 1 A 61 61 GLY C C 61 176.878 175.567 1.311 1
1 677 . 12 1 1 A 61 61 GLY CA C 61 47.388 47.283 0.105 1
1 678 . 12 1 1 A 61 61 GLY N N 61 106.205 107.816 -1.611 1
1 679 . 12 1 1 A 62 62 ASN H H 62 8.408 7.745 0.663 1
1 680 . 12 1 1 A 62 62 ASN HA H 62 4.452 4.279 0.173 1
1 685 . 12 1 1 A 62 62 ASN C C 62 177.461 177.575 -0.114 1
1 686 . 12 1 1 A 62 62 ASN CA C 62 55.480 55.774 -0.294 1
1 687 . 12 1 1 A 62 62 ASN CB C 62 37.951 37.956 -0.005 1
1 688 . 12 1 1 A 62 62 ASN N N 62 120.644 119.649 0.995 1
1 690 . 12 1 1 A 63 63 ARG H H 63 7.816 7.570 0.246 1
1 691 . 12 1 1 A 63 63 ARG HA H 63 3.544 3.607 -0.063 1
1 698 . 12 1 1 A 63 63 ARG C C 63 178.189 178.354 -0.165 1
1 699 . 12 1 1 A 63 63 ARG CA C 63 59.219 59.346 -0.127 1
1 700 . 12 1 1 A 63 63 ARG CB C 63 29.077 29.459 -0.382 1
1 703 . 12 1 1 A 63 63 ARG N N 63 124.207 120.365 3.842 1
1 704 . 12 1 1 A 64 64 ARG H H 64 8.578 7.787 0.791 1
1 705 . 12 1 1 A 64 64 ARG HA H 64 4.057 4.212 -0.155 1
1 712 . 12 1 1 A 64 64 ARG C C 64 179.039 178.832 0.207 1
1 713 . 12 1 1 A 64 64 ARG CA C 64 60.190 60.061 0.129 1
1 714 . 12 1 1 A 64 64 ARG CB C 64 30.579 29.903 0.676 1
1 717 . 12 1 1 A 64 64 ARG N N 64 117.839 117.825 0.014 1
1 718 . 12 1 1 A 65 65 ARG H H 65 7.712 8.021 -0.309 1
1 719 . 12 1 1 A 65 65 ARG HA H 65 4.091 4.050 0.041 1
1 726 . 12 1 1 A 65 65 ARG C C 65 178.214 178.907 -0.693 1
1 727 . 12 1 1 A 65 65 ARG CA C 65 59.556 59.239 0.317 1
1 728 . 12 1 1 A 65 65 ARG CB C 65 30.167 29.831 0.336 1
1 731 . 12 1 1 A 65 65 ARG N N 65 118.827 119.752 -0.925 1
1 732 . 12 1 1 A 66 66 LYS H H 66 7.848 7.600 0.248 1
1 733 . 12 1 1 A 66 66 LYS HA H 66 3.997 3.948 0.049 1
1 741 . 12 1 1 A 66 66 LYS C C 66 178.481 179.127 -0.646 1
1 742 . 12 1 1 A 66 66 LYS CA C 66 59.110 59.239 -0.129 1
1 743 . 12 1 1 A 66 66 LYS CB C 66 32.226 32.086 0.140 1
1 747 . 12 1 1 A 66 66 LYS N N 66 120.251 118.866 1.385 1
1 748 . 12 1 1 A 67 67 TYR H H 67 8.324 8.334 -0.010 1
1 749 . 12 1 1 A 67 67 TYR HA H 67 4.274 4.300 -0.026 1
1 756 . 12 1 1 A 67 67 TYR C C 67 177.412 178.125 -0.713 1
1 757 . 12 1 1 A 67 67 TYR CA C 67 60.576 61.236 -0.660 1
1 758 . 12 1 1 A 67 67 TYR CB C 67 37.043 38.165 -1.122 1
1 763 . 12 1 1 A 67 67 TYR N N 67 118.725 118.787 -0.062 1
1 764 . 12 1 1 A 68 68 ARG H H 68 8.084 8.190 -0.106 1
1 765 . 12 1 1 A 68 68 ARG HA H 68 4.218 4.062 0.156 1
1 772 . 12 1 1 A 68 68 ARG C C 68 179.209 178.340 0.869 1
1 773 . 12 1 1 A 68 68 ARG CA C 68 58.616 59.469 -0.853 1
1 774 . 12 1 1 A 68 68 ARG CB C 68 29.343 29.802 -0.459 1
1 777 . 12 1 1 A 68 68 ARG N N 68 119.763 120.047 -0.284 1
1 778 . 12 1 1 A 69 69 LEU H H 69 8.168 8.205 -0.037 1
1 779 . 12 1 1 A 69 69 LEU HA H 69 4.244 4.037 0.207 1
1 789 . 12 1 1 A 69 69 LEU C C 69 178.457 178.866 -0.409 1
1 790 . 12 1 1 A 69 69 LEU CA C 69 56.981 57.987 -1.006 1
1 791 . 12 1 1 A 69 69 LEU CB C 69 41.955 41.693 0.262 1
1 795 . 12 1 1 A 69 69 LEU N N 69 120.874 119.581 1.293 1
1 796 . 12 1 1 A 70 70 MET H H 70 7.942 7.536 0.406 1
1 797 . 12 1 1 A 70 70 MET HA H 70 4.440 4.534 -0.094 1
1 805 . 12 1 1 A 70 70 MET C C 70 176.417 176.319 0.098 1
1 806 . 12 1 1 A 70 70 MET CA C 70 55.958 55.665 0.293 1
1 807 . 12 1 1 A 70 70 MET CB C 70 33.711 33.231 0.480 1
1 810 . 12 1 1 A 70 70 MET N N 70 117.335 117.319 0.016 1
1 811 . 12 1 1 A 71 71 GLY H H 71 8.107 8.152 -0.045 1
1 812 . 12 1 1 A 71 71 GLY HA2 H 71 3.906 4.047 -0.141 1
1 813 . 12 1 1 A 71 71 GLY HA3 H 71 4.055 4.048 0.007 1
1 814 . 12 1 1 A 71 71 GLY C C 71 174.255 174.765 -0.510 1
1 815 . 12 1 1 A 71 71 GLY CA C 71 45.852 45.370 0.482 1
1 816 . 12 1 1 A 71 71 GLY N N 71 109.096 107.244 1.852 1
1 817 . 12 1 1 A 72 72 ILE H H 72 8.036 7.558 0.478 1
1 818 . 12 1 1 A 72 72 ILE HA H 72 4.197 4.048 0.149 1
1 828 . 12 1 1 A 72 72 ILE C C 72 175.712 175.657 0.055 1
1 829 . 12 1 1 A 72 72 ILE CA C 72 60.626 61.229 -0.603 1
1 830 . 12 1 1 A 72 72 ILE CB C 72 39.203 37.288 1.915 1
1 834 . 12 1 1 A 72 72 ILE N N 72 120.615 122.549 -1.934 1
1 835 . 12 1 1 A 73 73 GLU H H 73 8.523 8.426 0.097 1
1 836 . 12 1 1 A 73 73 GLU HA H 73 4.306 4.684 -0.378 1
1 841 . 12 1 1 A 73 73 GLU C C 73 176.417 176.067 0.350 1
1 842 . 12 1 1 A 73 73 GLU CA C 73 56.551 56.054 0.497 1
1 843 . 12 1 1 A 73 73 GLU CB C 73 30.167 28.685 1.482 1
1 845 . 12 1 1 A 73 73 GLU N N 73 125.837 126.977 -1.140 1
1 846 . 12 1 1 A 74 74 VAL H H 74 8.319 7.924 0.395 1
1 847 . 12 1 1 A 74 74 VAL HA H 74 4.187 4.036 0.151 1
1 855 . 12 1 1 A 74 74 VAL C C 74 176.052 175.170 0.882 1
1 856 . 12 1 1 A 74 74 VAL CA C 74 62.103 62.107 -0.004 1
1 857 . 12 1 1 A 74 74 VAL CB C 74 33.063 32.313 0.750 1
1 860 . 12 1 1 A 74 74 VAL N N 74 122.642 120.774 1.868 1
1 861 . 12 1 1 A 75 75 SER H H 75 8.460 8.819 -0.359 1
1 862 . 12 1 1 A 75 75 SER HA H 75 4.469 4.919 -0.450 1
1 865 . 12 1 1 A 75 75 SER C C 75 174.547 173.277 1.270 1
1 866 . 12 1 1 A 75 75 SER CA C 75 58.413 57.565 0.848 1
1 867 . 12 1 1 A 75 75 SER CB C 75 64.015 66.002 -1.987 1
1 868 . 12 1 1 A 75 75 SER N N 75 120.411 120.044 0.367 1
1 869 . 12 1 1 A 76 76 GLY H H 76 8.307 8.758 -0.451 1
1 870 . 12 1 1 A 76 76 GLY HA2 H 76 4.096 3.959 0.137 1
1 871 . 12 1 1 A 76 76 GLY C C 76 171.729 173.331 -1.602 1
1 872 . 12 1 1 A 76 76 GLY CA C 76 44.566 45.151 -0.585 1
1 873 . 12 1 1 A 76 76 GLY N N 76 110.975 115.224 -4.249 1
1 874 . 12 1 1 A 77 77 PRO HA H 77 4.508 4.620 -0.112 1
1 880 . 12 1 1 A 77 77 PRO CA C 77 63.054 62.357 0.697 1
1 881 . 12 1 1 A 77 77 PRO CB C 77 32.299 30.420 1.879 1
1 884 . 12 1 1 A 79 79 SER HA H 79 4.507 4.634 -0.127 1
1 887 . 12 1 1 A 79 79 SER C C 79 173.939 174.223 -0.284 1
1 888 . 12 1 1 A 79 79 SER CA C 79 58.427 56.820 1.607 1
1 889 . 12 1 1 A 79 79 SER CB C 79 64.293 63.716 0.577 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.969 4.218 -0.249 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.969 4.218 -0.249 1
1 3 . 13 1 1 A 7 7 GLY C C 7 173.939 173.425 0.514 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.342 44.966 0.376 1
1 5 . 13 1 1 A 8 8 ALA H H 8 8.128 8.415 -0.287 1
1 6 . 13 1 1 A 8 8 ALA HA H 8 4.329 4.401 -0.072 1
1 10 . 13 1 1 A 8 8 ALA C C 8 177.971 177.184 0.787 1
1 11 . 13 1 1 A 8 8 ALA CA C 8 52.565 51.922 0.643 1
1 12 . 13 1 1 A 8 8 ALA CB C 8 19.287 17.822 1.465 1
1 13 . 13 1 1 A 8 8 ALA N N 8 123.703 124.065 -0.362 1
1 14 . 13 1 1 A 9 9 LEU H H 9 8.240 7.527 0.713 1
1 15 . 13 1 1 A 9 9 LEU HA H 9 4.304 4.513 -0.209 1
1 25 . 13 1 1 A 9 9 LEU C C 9 177.655 176.087 1.568 1
1 26 . 13 1 1 A 9 9 LEU CA C 9 55.570 53.969 1.601 1
1 27 . 13 1 1 A 9 9 LEU CB C 9 42.202 43.352 -1.150 1
1 31 . 13 1 1 A 9 9 LEU N N 9 121.161 117.201 3.960 1
1 32 . 13 1 1 A 10 10 GLN H H 10 8.305 8.611 -0.306 1
1 33 . 13 1 1 A 10 10 GLN HA H 10 4.313 4.656 -0.343 1
1 40 . 13 1 1 A 10 10 GLN C C 10 175.737 173.344 2.393 1
1 41 . 13 1 1 A 10 10 GLN CA C 10 56.099 55.024 1.075 1
1 42 . 13 1 1 A 10 10 GLN CB C 10 29.425 32.892 -3.467 1
1 44 . 13 1 1 A 10 10 GLN N N 10 120.538 119.343 1.195 1
1 46 . 13 1 1 A 11 11 ASP H H 11 8.306 8.992 -0.686 1
1 47 . 13 1 1 A 11 11 ASP HA H 11 4.589 4.742 -0.153 1
1 50 . 13 1 1 A 11 11 ASP C C 11 176.319 175.548 0.771 1
1 51 . 13 1 1 A 11 11 ASP CA C 11 54.583 53.828 0.755 1
1 52 . 13 1 1 A 11 11 ASP CB C 11 41.204 40.967 0.237 1
1 53 . 13 1 1 A 11 11 ASP N N 11 121.418 126.197 -4.779 1
1 54 . 13 1 1 A 12 12 ARG H H 12 8.257 8.759 -0.502 1
1 55 . 13 1 1 A 12 12 ARG HA H 12 4.408 4.565 -0.157 1
1 62 . 13 1 1 A 12 12 ARG C C 12 176.295 175.698 0.597 1
1 63 . 13 1 1 A 12 12 ARG CA C 12 56.088 56.904 -0.816 1
1 64 . 13 1 1 A 12 12 ARG CB C 12 30.579 32.848 -2.269 1
1 67 . 13 1 1 A 12 12 ARG N N 12 121.271 123.963 -2.692 1
1 68 . 13 1 1 A 13 13 THR H H 13 8.189 7.725 0.464 1
1 69 . 13 1 1 A 13 13 THR HA H 13 4.193 4.449 -0.256 1
1 74 . 13 1 1 A 13 13 THR C C 13 174.121 173.803 0.318 1
1 75 . 13 1 1 A 13 13 THR CA C 13 62.448 60.767 1.681 1
1 76 . 13 1 1 A 13 13 THR CB C 13 69.697 70.011 -0.314 1
1 78 . 13 1 1 A 13 13 THR N N 13 114.810 110.649 4.161 1
1 79 . 13 1 1 A 14 14 GLN H H 14 8.130 8.680 -0.550 1
1 80 . 13 1 1 A 14 14 GLN HA H 14 4.314 5.082 -0.768 1
1 87 . 13 1 1 A 14 14 GLN C C 14 175.275 174.551 0.724 1
1 88 . 13 1 1 A 14 14 GLN CA C 14 55.253 54.430 0.823 1
1 89 . 13 1 1 A 14 14 GLN CB C 14 29.838 31.295 -1.457 1
1 91 . 13 1 1 A 14 14 GLN N N 14 122.533 124.850 -2.317 1
1 93 . 13 1 1 A 15 15 PHE H H 15 8.151 8.931 -0.780 1
1 94 . 13 1 1 A 15 15 PHE HA H 15 5.009 5.111 -0.102 1
1 102 . 13 1 1 A 15 15 PHE C C 15 176.465 175.275 1.190 1
1 103 . 13 1 1 A 15 15 PHE CA C 15 57.157 56.726 0.431 1
1 104 . 13 1 1 A 15 15 PHE CB C 15 40.996 42.678 -1.682 1
1 110 . 13 1 1 A 15 15 PHE N N 15 120.835 118.226 2.609 1
1 111 . 13 1 1 A 16 16 SER H H 16 9.565 8.941 0.624 1
1 112 . 13 1 1 A 16 16 SER HA H 16 4.610 4.763 -0.153 1
1 115 . 13 1 1 A 16 16 SER C C 16 174.547 174.888 -0.341 1
1 116 . 13 1 1 A 16 16 SER CA C 16 56.946 57.332 -0.386 1
1 117 . 13 1 1 A 16 16 SER CB C 16 65.545 65.788 -0.243 1
1 118 . 13 1 1 A 16 16 SER N N 16 119.442 117.813 1.629 1
1 119 . 13 1 1 A 17 17 ASP H H 17 8.947 9.264 -0.317 1
1 120 . 13 1 1 A 17 17 ASP HA H 17 4.386 4.265 0.121 1
1 123 . 13 1 1 A 17 17 ASP C C 17 179.331 178.217 1.114 1
1 124 . 13 1 1 A 17 17 ASP CA C 17 58.074 57.952 0.122 1
1 125 . 13 1 1 A 17 17 ASP CB C 17 39.875 40.187 -0.312 1
1 126 . 13 1 1 A 17 17 ASP N N 17 120.645 124.882 -4.237 1
1 127 . 13 1 1 A 18 18 ARG H H 18 8.302 8.135 0.167 1
1 128 . 13 1 1 A 18 18 ARG HA H 18 4.098 4.051 0.047 1
1 135 . 13 1 1 A 18 18 ARG C C 18 178.699 178.868 -0.169 1
1 136 . 13 1 1 A 18 18 ARG CA C 18 59.203 59.338 -0.135 1
1 137 . 13 1 1 A 18 18 ARG CB C 18 29.920 30.194 -0.274 1
1 140 . 13 1 1 A 18 18 ARG N N 18 121.398 119.593 1.805 1
1 141 . 13 1 1 A 19 19 ASP H H 19 7.853 8.059 -0.206 1
1 142 . 13 1 1 A 19 19 ASP HA H 19 4.151 4.329 -0.178 1
1 145 . 13 1 1 A 19 19 ASP C C 19 178.384 178.554 -0.170 1
1 146 . 13 1 1 A 19 19 ASP CA C 19 57.348 57.145 0.203 1
1 147 . 13 1 1 A 19 19 ASP CB C 19 40.392 40.912 -0.520 1
1 148 . 13 1 1 A 19 19 ASP N N 19 122.636 120.290 2.346 1
1 149 . 13 1 1 A 20 20 LEU H H 20 8.335 8.496 -0.161 1
1 150 . 13 1 1 A 20 20 LEU HA H 20 3.635 3.519 0.116 1
1 160 . 13 1 1 A 20 20 LEU C C 20 179.234 178.958 0.276 1
1 161 . 13 1 1 A 20 20 LEU CA C 20 57.587 57.876 -0.289 1
1 162 . 13 1 1 A 20 20 LEU CB C 20 41.658 41.589 0.069 1
1 166 . 13 1 1 A 20 20 LEU N N 20 118.845 119.684 -0.839 1
1 167 . 13 1 1 A 21 21 ALA H H 21 7.905 8.173 -0.268 1
1 168 . 13 1 1 A 21 21 ALA HA H 21 4.123 4.002 0.121 1
1 172 . 13 1 1 A 21 21 ALA C C 21 181.031 180.020 1.011 1
1 173 . 13 1 1 A 21 21 ALA CA C 21 55.103 55.461 -0.358 1
1 174 . 13 1 1 A 21 21 ALA CB C 21 17.709 18.659 -0.950 1
1 175 . 13 1 1 A 21 21 ALA N N 21 122.007 120.789 1.218 1
1 176 . 13 1 1 A 22 22 THR H H 22 7.886 8.068 -0.182 1
1 177 . 13 1 1 A 22 22 THR HA H 22 3.954 3.747 0.207 1
1 182 . 13 1 1 A 22 22 THR C C 22 175.834 176.200 -0.366 1
1 183 . 13 1 1 A 22 22 THR CA C 22 67.081 67.653 -0.572 1
1 184 . 13 1 1 A 22 22 THR CB C 22 68.253 68.831 -0.578 1
1 186 . 13 1 1 A 22 22 THR N N 22 119.042 113.421 5.621 1
1 187 . 13 1 1 A 23 23 LEU H H 23 8.036 8.081 -0.045 1
1 188 . 13 1 1 A 23 23 LEU HA H 23 3.404 3.777 -0.373 1
1 198 . 13 1 1 A 23 23 LEU C C 23 178.335 178.691 -0.356 1
1 199 . 13 1 1 A 23 23 LEU CA C 23 59.230 58.086 1.144 1
1 200 . 13 1 1 A 23 23 LEU CB C 23 39.399 41.178 -1.779 1
1 204 . 13 1 1 A 23 23 LEU N N 23 123.450 120.656 2.794 1
1 205 . 13 1 1 A 24 24 LYS H H 24 8.166 8.259 -0.093 1
1 206 . 13 1 1 A 24 24 LYS HA H 24 4.074 4.151 -0.077 1
1 215 . 13 1 1 A 24 24 LYS C C 24 177.631 179.225 -1.594 1
1 216 . 13 1 1 A 24 24 LYS CA C 24 60.367 60.131 0.236 1
1 217 . 13 1 1 A 24 24 LYS CB C 24 32.554 32.356 0.198 1
1 221 . 13 1 1 A 24 24 LYS N N 24 117.974 116.590 1.384 1
1 222 . 13 1 1 A 25 25 LYS H H 25 7.837 7.970 -0.133 1
1 223 . 13 1 1 A 25 25 LYS HA H 25 4.205 4.003 0.202 1
1 232 . 13 1 1 A 25 25 LYS C C 25 179.695 178.715 0.980 1
1 233 . 13 1 1 A 25 25 LYS CA C 25 59.704 59.065 0.639 1
1 234 . 13 1 1 A 25 25 LYS CB C 25 31.816 32.169 -0.353 1
1 238 . 13 1 1 A 25 25 LYS N N 25 120.567 120.430 0.137 1
1 239 . 13 1 1 A 26 26 TYR H H 26 8.158 8.068 0.090 1
1 240 . 13 1 1 A 26 26 TYR HA H 26 4.089 4.175 -0.086 1
1 247 . 13 1 1 A 26 26 TYR C C 26 180.035 178.733 1.302 1
1 248 . 13 1 1 A 26 26 TYR CA C 26 63.104 60.306 2.798 1
1 249 . 13 1 1 A 26 26 TYR CB C 26 36.926 37.913 -0.987 1
1 254 . 13 1 1 A 26 26 TYR N N 26 118.591 118.509 0.082 1
1 255 . 13 1 1 A 27 27 TRP H H 27 9.294 8.173 1.121 1
1 256 . 13 1 1 A 27 27 TRP HA H 27 4.349 4.411 -0.062 1
1 265 . 13 1 1 A 27 27 TRP C C 27 179.209 178.492 0.717 1
1 266 . 13 1 1 A 27 27 TRP CA C 27 61.357 60.757 0.600 1
1 267 . 13 1 1 A 27 27 TRP CB C 27 28.481 29.984 -1.503 1
1 273 . 13 1 1 A 27 27 TRP N N 27 125.036 122.284 2.752 1
1 275 . 13 1 1 A 28 28 ASP H H 28 9.354 8.218 1.136 1
1 276 . 13 1 1 A 28 28 ASP HA H 28 4.479 4.695 -0.216 1
1 279 . 13 1 1 A 28 28 ASP C C 28 176.999 177.237 -0.238 1
1 280 . 13 1 1 A 28 28 ASP CA C 28 57.024 56.912 0.112 1
1 281 . 13 1 1 A 28 28 ASP CB C 28 39.894 40.763 -0.869 1
1 282 . 13 1 1 A 28 28 ASP N N 28 121.650 119.478 2.172 1
1 283 . 13 1 1 A 29 29 ASN H H 29 7.569 8.329 -0.760 1
1 284 . 13 1 1 A 29 29 ASN HA H 29 4.905 4.961 -0.056 1
1 289 . 13 1 1 A 29 29 ASN C C 29 174.935 175.317 -0.382 1
1 290 . 13 1 1 A 29 29 ASN CA C 29 52.819 52.467 0.352 1
1 291 . 13 1 1 A 29 29 ASN CB C 29 39.320 38.690 0.630 1
1 292 . 13 1 1 A 29 29 ASN N N 29 116.912 116.832 0.080 1
1 294 . 13 1 1 A 30 30 GLY H H 30 7.695 7.784 -0.089 1
1 295 . 13 1 1 A 30 30 GLY HA2 H 30 3.603 3.754 -0.151 1
1 296 . 13 1 1 A 30 30 GLY HA3 H 30 4.489 3.871 0.618 1
1 297 . 13 1 1 A 30 30 GLY C C 30 174.571 174.420 0.151 1
1 298 . 13 1 1 A 30 30 GLY CA C 30 45.332 46.402 -1.070 1
1 299 . 13 1 1 A 30 30 GLY N N 30 105.356 108.086 -2.730 1
1 300 . 13 1 1 A 31 31 MET H H 31 8.574 7.921 0.653 1
1 301 . 13 1 1 A 31 31 MET HA H 31 4.769 4.434 0.335 1
1 309 . 13 1 1 A 31 31 MET C C 31 173.381 176.181 -2.800 1
1 310 . 13 1 1 A 31 31 MET CA C 31 54.301 54.210 0.091 1
1 311 . 13 1 1 A 31 31 MET CB C 31 31.899 30.861 1.038 1
1 314 . 13 1 1 A 31 31 MET N N 31 125.209 120.929 4.280 1
1 315 . 13 1 1 A 32 32 THR H H 32 7.284 7.873 -0.589 1
1 316 . 13 1 1 A 32 32 THR HA H 32 4.003 4.429 -0.426 1
1 321 . 13 1 1 A 32 32 THR C C 32 173.721 173.326 0.395 1
1 322 . 13 1 1 A 32 32 THR CA C 32 59.873 60.206 -0.333 1
1 323 . 13 1 1 A 32 32 THR CB C 32 69.651 68.350 1.301 1
1 325 . 13 1 1 A 32 32 THR N N 32 108.409 113.398 -4.989 1
1 326 . 13 1 1 A 33 33 SER H H 33 7.809 7.580 0.229 1
1 327 . 13 1 1 A 33 33 SER HA H 33 4.614 4.868 -0.254 1
1 330 . 13 1 1 A 33 33 SER C C 33 171.608 173.079 -1.471 1
1 331 . 13 1 1 A 33 33 SER CA C 33 56.764 56.592 0.172 1
1 332 . 13 1 1 A 33 33 SER CB C 33 65.653 64.939 0.714 1
1 333 . 13 1 1 A 33 33 SER N N 33 115.742 115.677 0.065 1
1 334 . 13 1 1 A 34 34 LEU H H 34 8.284 8.459 -0.175 1
1 335 . 13 1 1 A 34 34 LEU HA H 34 4.488 4.390 0.098 1
1 345 . 13 1 1 A 34 34 LEU C C 34 178.335 177.725 0.610 1
1 346 . 13 1 1 A 34 34 LEU CA C 34 54.583 55.906 -1.323 1
1 347 . 13 1 1 A 34 34 LEU CB C 34 41.872 42.389 -0.517 1
1 351 . 13 1 1 A 34 34 LEU N N 34 116.566 123.580 -7.014 1
1 352 . 13 1 1 A 35 35 GLY H H 35 8.159 8.218 -0.059 1
1 353 . 13 1 1 A 35 35 GLY HA2 H 35 4.239 4.068 0.171 1
1 354 . 13 1 1 A 35 35 GLY HA3 H 35 3.949 4.072 -0.123 1
1 355 . 13 1 1 A 35 35 GLY C C 35 175.299 175.156 0.143 1
1 356 . 13 1 1 A 35 35 GLY CA C 35 44.707 45.020 -0.313 1
1 357 . 13 1 1 A 35 35 GLY N N 35 106.688 107.498 -0.810 1
1 358 . 13 1 1 A 36 36 SER HA H 36 4.123 4.144 -0.021 1
1 360 . 13 1 1 A 36 36 SER CA C 36 61.785 61.681 0.104 1
1 361 . 13 1 1 A 36 36 SER CB C 36 62.793 62.450 0.343 1
1 362 . 13 1 1 A 37 37 VAL HA H 37 4.155 3.732 0.423 1
1 370 . 13 1 1 A 37 37 VAL C C 37 177.048 177.188 -0.140 1
1 371 . 13 1 1 A 37 37 VAL CA C 37 64.423 64.963 -0.540 1
1 372 . 13 1 1 A 37 37 VAL CB C 37 31.486 31.210 0.276 1
1 375 . 13 1 1 A 38 38 CYS H H 38 7.746 7.644 0.102 1
1 376 . 13 1 1 A 38 38 CYS HA H 38 4.787 4.472 0.315 1
1 379 . 13 1 1 A 38 38 CYS C C 38 174.522 176.128 -1.606 1
1 380 . 13 1 1 A 38 38 CYS CA C 38 59.344 59.903 -0.559 1
1 381 . 13 1 1 A 38 38 CYS CB C 38 29.261 29.212 0.049 1
1 382 . 13 1 1 A 38 38 CYS N N 38 116.501 119.297 -2.796 1
1 383 . 13 1 1 A 39 39 ARG H H 39 7.633 8.229 -0.596 1
1 384 . 13 1 1 A 39 39 ARG HA H 39 3.847 3.904 -0.057 1
1 390 . 13 1 1 A 39 39 ARG C C 39 177.315 178.450 -1.135 1
1 391 . 13 1 1 A 39 39 ARG CA C 39 60.952 59.546 1.406 1
1 392 . 13 1 1 A 39 39 ARG CB C 39 30.332 30.129 0.203 1
1 395 . 13 1 1 A 39 39 ARG N N 39 122.520 122.557 -0.037 1
1 396 . 13 1 1 A 40 40 GLU H H 40 8.827 8.120 0.707 1
1 397 . 13 1 1 A 40 40 GLU HA H 40 4.070 3.937 0.133 1
1 402 . 13 1 1 A 40 40 GLU C C 40 179.719 179.303 0.416 1
1 403 . 13 1 1 A 40 40 GLU CA C 40 60.065 59.449 0.616 1
1 404 . 13 1 1 A 40 40 GLU CB C 40 29.094 29.334 -0.240 1
1 406 . 13 1 1 A 40 40 GLU N N 40 116.909 117.233 -0.324 1
1 407 . 13 1 1 A 41 41 LYS H H 41 7.660 7.867 -0.207 1
1 408 . 13 1 1 A 41 41 LYS HA H 41 4.293 3.943 0.350 1
1 416 . 13 1 1 A 41 41 LYS C C 41 176.854 178.739 -1.885 1
1 417 . 13 1 1 A 41 41 LYS CA C 41 59.908 59.109 0.799 1
1 418 . 13 1 1 A 41 41 LYS CB C 41 33.704 32.303 1.401 1
1 422 . 13 1 1 A 41 41 LYS N N 41 120.497 118.688 1.809 1
1 423 . 13 1 1 A 42 42 ILE H H 42 8.050 8.040 0.010 1
1 424 . 13 1 1 A 42 42 ILE HA H 42 3.756 3.517 0.239 1
1 434 . 13 1 1 A 42 42 ILE C C 42 177.607 178.082 -0.475 1
1 435 . 13 1 1 A 42 42 ILE CA C 42 65.460 65.188 0.272 1
1 436 . 13 1 1 A 42 42 ILE CB C 42 38.516 37.621 0.895 1
1 440 . 13 1 1 A 42 42 ILE N N 42 119.276 120.579 -1.303 1
1 441 . 13 1 1 A 43 43 GLU H H 43 8.142 8.719 -0.577 1
1 442 . 13 1 1 A 43 43 GLU HA H 43 4.011 4.048 -0.037 1
1 447 . 13 1 1 A 43 43 GLU C C 43 179.477 178.005 1.472 1
1 448 . 13 1 1 A 43 43 GLU CA C 43 59.340 58.535 0.805 1
1 449 . 13 1 1 A 43 43 GLU CB C 43 29.425 29.362 0.063 1
1 451 . 13 1 1 A 43 43 GLU N N 43 116.432 120.473 -4.041 1
1 452 . 13 1 1 A 44 44 ALA H H 44 8.053 7.781 0.272 1
1 453 . 13 1 1 A 44 44 ALA HA H 44 4.217 4.325 -0.108 1
1 457 . 13 1 1 A 44 44 ALA C C 44 180.958 178.969 1.989 1
1 458 . 13 1 1 A 44 44 ALA CA C 44 55.453 54.094 1.359 1
1 459 . 13 1 1 A 44 44 ALA CB C 44 18.553 19.654 -1.101 1
1 460 . 13 1 1 A 44 44 ALA N N 44 122.819 122.534 0.285 1
1 461 . 13 1 1 A 45 45 VAL H H 45 8.400 7.531 0.869 1
1 462 . 13 1 1 A 45 45 VAL HA H 45 3.530 3.879 -0.349 1
1 470 . 13 1 1 A 45 45 VAL C C 45 176.465 177.219 -0.754 1
1 471 . 13 1 1 A 45 45 VAL CA C 45 65.075 64.894 0.181 1
1 472 . 13 1 1 A 45 45 VAL CB C 45 29.673 31.191 -1.518 1
1 475 . 13 1 1 A 45 45 VAL N N 45 120.862 117.027 3.835 1
1 476 . 13 1 1 A 46 46 ALA H H 46 8.225 7.788 0.437 1
1 477 . 13 1 1 A 46 46 ALA HA H 46 3.787 4.129 -0.342 1
1 481 . 13 1 1 A 46 46 ALA C C 46 180.205 179.821 0.384 1
1 482 . 13 1 1 A 46 46 ALA CA C 46 55.753 55.229 0.524 1
1 483 . 13 1 1 A 46 46 ALA CB C 46 18.516 18.654 -0.138 1
1 484 . 13 1 1 A 46 46 ALA N N 46 125.827 123.942 1.885 1
1 485 . 13 1 1 A 47 47 THR H H 47 7.850 7.534 0.316 1
1 486 . 13 1 1 A 47 47 THR HA H 47 4.084 4.021 0.063 1
1 491 . 13 1 1 A 47 47 THR C C 47 177.339 176.518 0.821 1
1 492 . 13 1 1 A 47 47 THR CA C 47 66.492 64.766 1.726 1
1 493 . 13 1 1 A 47 47 THR CB C 47 68.772 69.001 -0.229 1
1 495 . 13 1 1 A 47 47 THR N N 47 113.467 112.580 0.887 1
1 496 . 13 1 1 A 48 48 GLU H H 48 8.050 8.270 -0.220 1
1 497 . 13 1 1 A 48 48 GLU HA H 48 4.001 4.111 -0.110 1
1 502 . 13 1 1 A 48 48 GLU C C 48 178.457 178.416 0.041 1
1 503 . 13 1 1 A 48 48 GLU CA C 48 60.174 58.567 1.607 1
1 504 . 13 1 1 A 48 48 GLU CB C 48 29.719 29.716 0.003 1
1 506 . 13 1 1 A 48 48 GLU N N 48 123.295 120.953 2.342 1
1 507 . 13 1 1 A 49 49 LEU H H 49 8.198 7.622 0.576 1
1 508 . 13 1 1 A 49 49 LEU HA H 49 4.215 4.271 -0.056 1
1 518 . 13 1 1 A 49 49 LEU C C 49 176.344 176.540 -0.196 1
1 519 . 13 1 1 A 49 49 LEU CA C 49 55.050 54.897 0.153 1
1 520 . 13 1 1 A 49 49 LEU CB C 49 42.861 42.409 0.452 1
1 524 . 13 1 1 A 49 49 LEU N N 49 115.963 117.937 -1.974 1
1 525 . 13 1 1 A 50 50 ASN H H 50 8.008 8.113 -0.105 1
1 526 . 13 1 1 A 50 50 ASN HA H 50 4.411 4.352 0.059 1
1 531 . 13 1 1 A 50 50 ASN C C 50 174.522 173.901 0.621 1
1 532 . 13 1 1 A 50 50 ASN CA C 50 54.159 54.164 -0.005 1
1 533 . 13 1 1 A 50 50 ASN CB C 50 37.446 37.251 0.195 1
1 534 . 13 1 1 A 50 50 ASN N N 50 118.398 118.038 0.360 1
1 536 . 13 1 1 A 51 51 VAL H H 51 8.240 7.552 0.688 1
1 537 . 13 1 1 A 51 51 VAL HA H 51 4.792 4.833 -0.041 1
1 545 . 13 1 1 A 51 51 VAL C C 51 174.619 174.602 0.017 1
1 546 . 13 1 1 A 51 51 VAL CA C 51 58.674 58.597 0.077 1
1 547 . 13 1 1 A 51 51 VAL CB C 51 36.102 35.347 0.755 1
1 550 . 13 1 1 A 51 51 VAL N N 51 110.142 113.361 -3.219 1
1 551 . 13 1 1 A 52 52 ASP H H 52 8.164 8.625 -0.461 1
1 552 . 13 1 1 A 52 52 ASP HA H 52 4.597 4.410 0.187 1
1 555 . 13 1 1 A 52 52 ASP C C 52 178.262 177.353 0.909 1
1 556 . 13 1 1 A 52 52 ASP CA C 52 54.423 54.881 -0.458 1
1 557 . 13 1 1 A 52 52 ASP CB C 52 43.200 42.238 0.962 1
1 558 . 13 1 1 A 52 52 ASP N N 52 120.019 124.169 -4.150 1
1 559 . 13 1 1 A 53 53 CYS H H 53 8.967 9.068 -0.101 1
1 560 . 13 1 1 A 53 53 CYS HA H 53 3.862 4.073 -0.211 1
1 563 . 13 1 1 A 53 53 CYS C C 53 176.975 177.104 -0.129 1
1 564 . 13 1 1 A 53 53 CYS CA C 53 63.438 62.237 1.201 1
1 565 . 13 1 1 A 53 53 CYS CB C 53 27.358 27.422 -0.064 1
1 566 . 13 1 1 A 53 53 CYS N N 53 122.121 126.300 -4.179 1
1 567 . 13 1 1 A 54 54 GLU H H 54 9.357 8.173 1.184 1
1 568 . 13 1 1 A 54 54 GLU HA H 54 4.083 4.072 0.011 1
1 573 . 13 1 1 A 54 54 GLU C C 54 179.064 179.383 -0.319 1
1 574 . 13 1 1 A 54 54 GLU CA C 54 59.626 59.506 0.120 1
1 575 . 13 1 1 A 54 54 GLU CB C 54 29.178 29.423 -0.245 1
1 577 . 13 1 1 A 54 54 GLU N N 54 120.121 120.622 -0.501 1
1 578 . 13 1 1 A 55 55 ILE H H 55 7.650 8.492 -0.842 1
1 579 . 13 1 1 A 55 55 ILE HA H 55 4.005 3.856 0.149 1
1 589 . 13 1 1 A 55 55 ILE C C 55 179.331 178.652 0.679 1
1 590 . 13 1 1 A 55 55 ILE CA C 55 63.558 65.342 -1.784 1
1 591 . 13 1 1 A 55 55 ILE CB C 55 36.988 37.894 -0.906 1
1 595 . 13 1 1 A 55 55 ILE N N 55 119.061 121.150 -2.089 1
1 596 . 13 1 1 A 56 56 VAL H H 56 6.973 7.502 -0.529 1
1 597 . 13 1 1 A 56 56 VAL HA H 56 3.651 3.769 -0.118 1
1 605 . 13 1 1 A 56 56 VAL C C 56 177.874 178.097 -0.223 1
1 606 . 13 1 1 A 56 56 VAL CA C 56 66.847 66.411 0.436 1
1 607 . 13 1 1 A 56 56 VAL CB C 56 31.486 31.825 -0.339 1
1 610 . 13 1 1 A 56 56 VAL N N 56 121.206 121.326 -0.120 1
1 611 . 13 1 1 A 57 57 ARG H H 57 8.508 8.417 0.091 1
1 612 . 13 1 1 A 57 57 ARG HA H 57 3.928 4.054 -0.126 1
1 618 . 13 1 1 A 57 57 ARG C C 57 179.282 178.988 0.294 1
1 619 . 13 1 1 A 57 57 ARG CA C 57 61.095 60.160 0.935 1
1 620 . 13 1 1 A 57 57 ARG CB C 57 30.261 30.057 0.204 1
1 623 . 13 1 1 A 57 57 ARG N N 57 118.801 119.183 -0.382 1
1 624 . 13 1 1 A 58 58 THR H H 58 8.528 8.330 0.198 1
1 625 . 13 1 1 A 58 58 THR HA H 58 4.013 4.006 0.007 1
1 630 . 13 1 1 A 58 58 THR C C 58 175.518 176.210 -0.692 1
1 631 . 13 1 1 A 58 58 THR CA C 58 66.879 66.409 0.470 1
1 632 . 13 1 1 A 58 58 THR CB C 58 68.826 68.544 0.282 1
1 634 . 13 1 1 A 58 58 THR N N 58 117.805 117.576 0.229 1
1 635 . 13 1 1 A 59 59 TRP H H 59 7.904 7.989 -0.085 1
1 636 . 13 1 1 A 59 59 TRP HA H 59 4.228 4.424 -0.196 1
1 645 . 13 1 1 A 59 59 TRP C C 59 179.015 178.527 0.488 1
1 646 . 13 1 1 A 59 59 TRP CA C 59 63.377 61.463 1.914 1
1 647 . 13 1 1 A 59 59 TRP CB C 59 28.280 29.543 -1.263 1
1 653 . 13 1 1 A 59 59 TRP N N 59 124.326 124.348 -0.022 1
1 655 . 13 1 1 A 60 60 ILE H H 60 8.799 8.385 0.414 1
1 656 . 13 1 1 A 60 60 ILE HA H 60 3.461 3.513 -0.052 1
1 666 . 13 1 1 A 60 60 ILE C C 60 178.481 178.106 0.375 1
1 667 . 13 1 1 A 60 60 ILE CA C 60 65.878 65.103 0.775 1
1 668 . 13 1 1 A 60 60 ILE CB C 60 39.399 38.175 1.224 1
1 672 . 13 1 1 A 60 60 ILE N N 60 119.831 119.570 0.261 1
1 673 . 13 1 1 A 61 61 GLY H H 61 8.659 7.789 0.870 1
1 674 . 13 1 1 A 61 61 GLY HA2 H 61 3.705 3.829 -0.124 1
1 675 . 13 1 1 A 61 61 GLY HA3 H 61 4.118 3.838 0.280 1
1 676 . 13 1 1 A 61 61 GLY C C 61 176.878 176.526 0.352 1
1 677 . 13 1 1 A 61 61 GLY CA C 61 47.388 47.068 0.320 1
1 678 . 13 1 1 A 61 61 GLY N N 61 106.205 107.902 -1.697 1
1 679 . 13 1 1 A 62 62 ASN H H 62 8.408 7.597 0.811 1
1 680 . 13 1 1 A 62 62 ASN HA H 62 4.452 4.374 0.078 1
1 685 . 13 1 1 A 62 62 ASN C C 62 177.461 177.579 -0.118 1
1 686 . 13 1 1 A 62 62 ASN CA C 62 55.480 55.964 -0.484 1
1 687 . 13 1 1 A 62 62 ASN CB C 62 37.951 38.087 -0.136 1
1 688 . 13 1 1 A 62 62 ASN N N 62 120.644 120.414 0.230 1
1 690 . 13 1 1 A 63 63 ARG H H 63 7.816 7.886 -0.070 1
1 691 . 13 1 1 A 63 63 ARG HA H 63 3.544 3.649 -0.105 1
1 698 . 13 1 1 A 63 63 ARG C C 63 178.189 178.639 -0.450 1
1 699 . 13 1 1 A 63 63 ARG CA C 63 59.219 59.110 0.109 1
1 700 . 13 1 1 A 63 63 ARG CB C 63 29.077 29.433 -0.356 1
1 703 . 13 1 1 A 63 63 ARG N N 63 124.207 119.992 4.215 1
1 704 . 13 1 1 A 64 64 ARG H H 64 8.578 8.082 0.496 1
1 705 . 13 1 1 A 64 64 ARG HA H 64 4.057 4.161 -0.104 1
1 712 . 13 1 1 A 64 64 ARG C C 64 179.039 178.855 0.184 1
1 713 . 13 1 1 A 64 64 ARG CA C 64 60.190 59.789 0.401 1
1 714 . 13 1 1 A 64 64 ARG CB C 64 30.579 30.155 0.424 1
1 717 . 13 1 1 A 64 64 ARG N N 64 117.839 118.050 -0.211 1
1 718 . 13 1 1 A 65 65 ARG H H 65 7.712 7.596 0.116 1
1 719 . 13 1 1 A 65 65 ARG HA H 65 4.091 4.091 0.000 1
1 726 . 13 1 1 A 65 65 ARG C C 65 178.214 178.286 -0.072 1
1 727 . 13 1 1 A 65 65 ARG CA C 65 59.556 59.218 0.338 1
1 728 . 13 1 1 A 65 65 ARG CB C 65 30.167 29.757 0.410 1
1 731 . 13 1 1 A 65 65 ARG N N 65 118.827 119.722 -0.895 1
1 732 . 13 1 1 A 66 66 LYS H H 66 7.848 8.300 -0.452 1
1 733 . 13 1 1 A 66 66 LYS HA H 66 3.997 3.909 0.088 1
1 741 . 13 1 1 A 66 66 LYS C C 66 178.481 179.048 -0.567 1
1 742 . 13 1 1 A 66 66 LYS CA C 66 59.110 59.260 -0.150 1
1 743 . 13 1 1 A 66 66 LYS CB C 66 32.226 32.108 0.118 1
1 747 . 13 1 1 A 66 66 LYS N N 66 120.251 117.748 2.503 1
1 748 . 13 1 1 A 67 67 TYR H H 67 8.324 7.705 0.619 1
1 749 . 13 1 1 A 67 67 TYR HA H 67 4.274 4.291 -0.017 1
1 756 . 13 1 1 A 67 67 TYR C C 67 177.412 178.401 -0.989 1
1 757 . 13 1 1 A 67 67 TYR CA C 67 60.576 61.625 -1.049 1
1 758 . 13 1 1 A 67 67 TYR CB C 67 37.043 38.317 -1.274 1
1 763 . 13 1 1 A 67 67 TYR N N 67 118.725 119.661 -0.936 1
1 764 . 13 1 1 A 68 68 ARG H H 68 8.084 7.916 0.168 1
1 765 . 13 1 1 A 68 68 ARG HA H 68 4.218 4.110 0.108 1
1 772 . 13 1 1 A 68 68 ARG C C 68 179.209 178.741 0.468 1
1 773 . 13 1 1 A 68 68 ARG CA C 68 58.616 59.577 -0.961 1
1 774 . 13 1 1 A 68 68 ARG CB C 68 29.343 30.081 -0.738 1
1 777 . 13 1 1 A 68 68 ARG N N 68 119.763 118.867 0.896 1
1 778 . 13 1 1 A 69 69 LEU H H 69 8.168 8.291 -0.123 1
1 779 . 13 1 1 A 69 69 LEU HA H 69 4.244 3.995 0.249 1
1 789 . 13 1 1 A 69 69 LEU C C 69 178.457 178.829 -0.372 1
1 790 . 13 1 1 A 69 69 LEU CA C 69 56.981 57.870 -0.889 1
1 791 . 13 1 1 A 69 69 LEU CB C 69 41.955 41.642 0.313 1
1 795 . 13 1 1 A 69 69 LEU N N 69 120.874 119.993 0.881 1
1 796 . 13 1 1 A 70 70 MET H H 70 7.942 7.745 0.197 1
1 797 . 13 1 1 A 70 70 MET HA H 70 4.440 4.537 -0.097 1
1 805 . 13 1 1 A 70 70 MET C C 70 176.417 176.289 0.128 1
1 806 . 13 1 1 A 70 70 MET CA C 70 55.958 55.706 0.252 1
1 807 . 13 1 1 A 70 70 MET CB C 70 33.711 33.270 0.441 1
1 810 . 13 1 1 A 70 70 MET N N 70 117.335 117.031 0.304 1
1 811 . 13 1 1 A 71 71 GLY H H 71 8.107 7.943 0.164 1
1 812 . 13 1 1 A 71 71 GLY HA2 H 71 3.906 4.052 -0.146 1
1 813 . 13 1 1 A 71 71 GLY HA3 H 71 4.055 4.054 0.001 1
1 814 . 13 1 1 A 71 71 GLY C C 71 174.255 174.638 -0.383 1
1 815 . 13 1 1 A 71 71 GLY CA C 71 45.852 45.121 0.731 1
1 816 . 13 1 1 A 71 71 GLY N N 71 109.096 107.199 1.897 1
1 817 . 13 1 1 A 72 72 ILE H H 72 8.036 7.405 0.631 1
1 818 . 13 1 1 A 72 72 ILE HA H 72 4.197 4.062 0.135 1
1 828 . 13 1 1 A 72 72 ILE C C 72 175.712 175.033 0.679 1
1 829 . 13 1 1 A 72 72 ILE CA C 72 60.626 61.133 -0.507 1
1 830 . 13 1 1 A 72 72 ILE CB C 72 39.203 38.209 0.994 1
1 834 . 13 1 1 A 72 72 ILE N N 72 120.615 122.383 -1.768 1
1 835 . 13 1 1 A 73 73 GLU H H 73 8.523 8.811 -0.288 1
1 836 . 13 1 1 A 73 73 GLU HA H 73 4.306 5.034 -0.728 1
1 841 . 13 1 1 A 73 73 GLU C C 73 176.417 175.704 0.713 1
1 842 . 13 1 1 A 73 73 GLU CA C 73 56.551 54.627 1.924 1
1 843 . 13 1 1 A 73 73 GLU CB C 73 30.167 32.876 -2.709 1
1 845 . 13 1 1 A 73 73 GLU N N 73 125.837 124.977 0.860 1
1 846 . 13 1 1 A 74 74 VAL H H 74 8.319 8.877 -0.558 1
1 847 . 13 1 1 A 74 74 VAL HA H 74 4.187 4.403 -0.216 1
1 855 . 13 1 1 A 74 74 VAL C C 74 176.052 174.930 1.122 1
1 856 . 13 1 1 A 74 74 VAL CA C 74 62.103 60.571 1.532 1
1 857 . 13 1 1 A 74 74 VAL CB C 74 33.063 31.592 1.471 1
1 860 . 13 1 1 A 74 74 VAL N N 74 122.642 119.608 3.034 1
1 861 . 13 1 1 A 75 75 SER H H 75 8.460 7.921 0.539 1
1 862 . 13 1 1 A 75 75 SER HA H 75 4.469 5.127 -0.658 1
1 865 . 13 1 1 A 75 75 SER C C 75 174.547 173.074 1.473 1
1 866 . 13 1 1 A 75 75 SER CA C 75 58.413 56.811 1.602 1
1 867 . 13 1 1 A 75 75 SER CB C 75 64.015 66.349 -2.334 1
1 868 . 13 1 1 A 75 75 SER N N 75 120.411 116.242 4.169 1
1 869 . 13 1 1 A 76 76 GLY H H 76 8.307 8.324 -0.017 1
1 870 . 13 1 1 A 76 76 GLY HA2 H 76 4.096 4.211 -0.115 1
1 871 . 13 1 1 A 76 76 GLY C C 76 171.729 172.670 -0.941 1
1 872 . 13 1 1 A 76 76 GLY CA C 76 44.566 46.005 -1.439 1
1 873 . 13 1 1 A 76 76 GLY N N 76 110.975 112.102 -1.127 1
1 874 . 13 1 1 A 77 77 PRO HA H 77 4.508 4.764 -0.256 1
1 880 . 13 1 1 A 77 77 PRO CA C 77 63.054 62.432 0.622 1
1 881 . 13 1 1 A 77 77 PRO CB C 77 32.299 29.951 2.348 1
1 884 . 13 1 1 A 79 79 SER HA H 79 4.507 4.424 0.083 1
1 887 . 13 1 1 A 79 79 SER C C 79 173.939 173.690 0.249 1
1 888 . 13 1 1 A 79 79 SER CA C 79 58.427 60.458 -2.031 1
1 889 . 13 1 1 A 79 79 SER CB C 79 64.293 63.506 0.787 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.969 4.097 -0.128 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.969 4.097 -0.128 1
1 3 . 14 1 1 A 7 7 GLY C C 7 173.939 172.697 1.242 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.342 45.100 0.242 1
1 5 . 14 1 1 A 8 8 ALA H H 8 8.128 8.465 -0.337 1
1 6 . 14 1 1 A 8 8 ALA HA H 8 4.329 5.193 -0.864 1
1 10 . 14 1 1 A 8 8 ALA C C 8 177.971 175.619 2.352 1
1 11 . 14 1 1 A 8 8 ALA CA C 8 52.565 51.262 1.303 1
1 12 . 14 1 1 A 8 8 ALA CB C 8 19.287 23.411 -4.124 1
1 13 . 14 1 1 A 8 8 ALA N N 8 123.703 124.688 -0.985 1
1 14 . 14 1 1 A 9 9 LEU H H 9 8.240 8.487 -0.247 1
1 15 . 14 1 1 A 9 9 LEU HA H 9 4.304 5.242 -0.938 1
1 25 . 14 1 1 A 9 9 LEU C C 9 177.655 175.469 2.186 1
1 26 . 14 1 1 A 9 9 LEU CA C 9 55.570 53.334 2.236 1
1 27 . 14 1 1 A 9 9 LEU CB C 9 42.202 45.494 -3.292 1
1 31 . 14 1 1 A 9 9 LEU N N 9 121.161 120.248 0.913 1
1 32 . 14 1 1 A 10 10 GLN H H 10 8.305 8.553 -0.248 1
1 33 . 14 1 1 A 10 10 GLN HA H 10 4.313 4.611 -0.298 1
1 40 . 14 1 1 A 10 10 GLN C C 10 175.737 173.780 1.957 1
1 41 . 14 1 1 A 10 10 GLN CA C 10 56.099 54.667 1.432 1
1 42 . 14 1 1 A 10 10 GLN CB C 10 29.425 33.130 -3.705 1
1 44 . 14 1 1 A 10 10 GLN N N 10 120.538 121.789 -1.251 1
1 46 . 14 1 1 A 11 11 ASP H H 11 8.306 8.312 -0.006 1
1 47 . 14 1 1 A 11 11 ASP HA H 11 4.589 4.571 0.018 1
1 50 . 14 1 1 A 11 11 ASP C C 11 176.319 175.893 0.426 1
1 51 . 14 1 1 A 11 11 ASP CA C 11 54.583 53.931 0.652 1
1 52 . 14 1 1 A 11 11 ASP CB C 11 41.204 41.271 -0.067 1
1 53 . 14 1 1 A 11 11 ASP N N 11 121.418 122.975 -1.557 1
1 54 . 14 1 1 A 12 12 ARG H H 12 8.257 8.391 -0.134 1
1 55 . 14 1 1 A 12 12 ARG HA H 12 4.408 4.128 0.280 1
1 62 . 14 1 1 A 12 12 ARG C C 12 176.295 176.701 -0.406 1
1 63 . 14 1 1 A 12 12 ARG CA C 12 56.088 56.623 -0.535 1
1 64 . 14 1 1 A 12 12 ARG CB C 12 30.579 30.264 0.315 1
1 67 . 14 1 1 A 12 12 ARG N N 12 121.271 120.524 0.747 1
1 68 . 14 1 1 A 13 13 THR H H 13 8.189 8.330 -0.141 1
1 69 . 14 1 1 A 13 13 THR HA H 13 4.193 4.561 -0.368 1
1 74 . 14 1 1 A 13 13 THR C C 13 174.121 174.617 -0.496 1
1 75 . 14 1 1 A 13 13 THR CA C 13 62.448 60.842 1.606 1
1 76 . 14 1 1 A 13 13 THR CB C 13 69.697 69.864 -0.167 1
1 78 . 14 1 1 A 13 13 THR N N 13 114.810 116.312 -1.502 1
1 79 . 14 1 1 A 14 14 GLN H H 14 8.130 8.594 -0.464 1
1 80 . 14 1 1 A 14 14 GLN HA H 14 4.314 4.933 -0.619 1
1 87 . 14 1 1 A 14 14 GLN C C 14 175.275 175.279 -0.004 1
1 88 . 14 1 1 A 14 14 GLN CA C 14 55.253 54.512 0.741 1
1 89 . 14 1 1 A 14 14 GLN CB C 14 29.838 30.820 -0.982 1
1 91 . 14 1 1 A 14 14 GLN N N 14 122.533 119.482 3.051 1
1 93 . 14 1 1 A 15 15 PHE H H 15 8.151 8.996 -0.845 1
1 94 . 14 1 1 A 15 15 PHE HA H 15 5.009 4.703 0.306 1
1 102 . 14 1 1 A 15 15 PHE C C 15 176.465 175.943 0.522 1
1 103 . 14 1 1 A 15 15 PHE CA C 15 57.157 58.317 -1.160 1
1 104 . 14 1 1 A 15 15 PHE CB C 15 40.996 39.878 1.118 1
1 110 . 14 1 1 A 15 15 PHE N N 15 120.835 122.927 -2.092 1
1 111 . 14 1 1 A 16 16 SER H H 16 9.565 8.844 0.721 1
1 112 . 14 1 1 A 16 16 SER HA H 16 4.610 4.737 -0.127 1
1 115 . 14 1 1 A 16 16 SER C C 16 174.547 174.961 -0.414 1
1 116 . 14 1 1 A 16 16 SER CA C 16 56.946 57.098 -0.152 1
1 117 . 14 1 1 A 16 16 SER CB C 16 65.545 64.567 0.978 1
1 118 . 14 1 1 A 16 16 SER N N 16 119.442 118.433 1.009 1
1 119 . 14 1 1 A 17 17 ASP H H 17 8.947 9.018 -0.071 1
1 120 . 14 1 1 A 17 17 ASP HA H 17 4.386 4.242 0.144 1
1 123 . 14 1 1 A 17 17 ASP C C 17 179.331 177.973 1.358 1
1 124 . 14 1 1 A 17 17 ASP CA C 17 58.074 57.862 0.212 1
1 125 . 14 1 1 A 17 17 ASP CB C 17 39.875 41.019 -1.144 1
1 126 . 14 1 1 A 17 17 ASP N N 17 120.645 127.347 -6.702 1
1 127 . 14 1 1 A 18 18 ARG H H 18 8.302 8.076 0.226 1
1 128 . 14 1 1 A 18 18 ARG HA H 18 4.098 4.017 0.081 1
1 135 . 14 1 1 A 18 18 ARG C C 18 178.699 178.756 -0.057 1
1 136 . 14 1 1 A 18 18 ARG CA C 18 59.203 59.196 0.007 1
1 137 . 14 1 1 A 18 18 ARG CB C 18 29.920 30.065 -0.145 1
1 140 . 14 1 1 A 18 18 ARG N N 18 121.398 119.013 2.385 1
1 141 . 14 1 1 A 19 19 ASP H H 19 7.853 8.111 -0.258 1
1 142 . 14 1 1 A 19 19 ASP HA H 19 4.151 4.302 -0.151 1
1 145 . 14 1 1 A 19 19 ASP C C 19 178.384 178.697 -0.313 1
1 146 . 14 1 1 A 19 19 ASP CA C 19 57.348 57.229 0.119 1
1 147 . 14 1 1 A 19 19 ASP CB C 19 40.392 40.966 -0.574 1
1 148 . 14 1 1 A 19 19 ASP N N 19 122.636 119.993 2.643 1
1 149 . 14 1 1 A 20 20 LEU H H 20 8.335 8.463 -0.128 1
1 150 . 14 1 1 A 20 20 LEU HA H 20 3.635 3.584 0.051 1
1 160 . 14 1 1 A 20 20 LEU C C 20 179.234 178.721 0.513 1
1 161 . 14 1 1 A 20 20 LEU CA C 20 57.587 57.887 -0.300 1
1 162 . 14 1 1 A 20 20 LEU CB C 20 41.658 41.516 0.142 1
1 166 . 14 1 1 A 20 20 LEU N N 20 118.845 119.848 -1.003 1
1 167 . 14 1 1 A 21 21 ALA H H 21 7.905 8.248 -0.343 1
1 168 . 14 1 1 A 21 21 ALA HA H 21 4.123 3.999 0.124 1
1 172 . 14 1 1 A 21 21 ALA C C 21 181.031 179.888 1.143 1
1 173 . 14 1 1 A 21 21 ALA CA C 21 55.103 55.499 -0.396 1
1 174 . 14 1 1 A 21 21 ALA CB C 21 17.709 18.722 -1.013 1
1 175 . 14 1 1 A 21 21 ALA N N 21 122.007 120.799 1.208 1
1 176 . 14 1 1 A 22 22 THR H H 22 7.886 7.943 -0.057 1
1 177 . 14 1 1 A 22 22 THR HA H 22 3.954 3.753 0.201 1
1 182 . 14 1 1 A 22 22 THR C C 22 175.834 176.320 -0.486 1
1 183 . 14 1 1 A 22 22 THR CA C 22 67.081 67.405 -0.324 1
1 184 . 14 1 1 A 22 22 THR CB C 22 68.253 68.838 -0.585 1
1 186 . 14 1 1 A 22 22 THR N N 22 119.042 113.803 5.239 1
1 187 . 14 1 1 A 23 23 LEU H H 23 8.036 7.725 0.311 1
1 188 . 14 1 1 A 23 23 LEU HA H 23 3.404 3.811 -0.407 1
1 198 . 14 1 1 A 23 23 LEU C C 23 178.335 178.911 -0.576 1
1 199 . 14 1 1 A 23 23 LEU CA C 23 59.230 58.142 1.088 1
1 200 . 14 1 1 A 23 23 LEU CB C 23 39.399 41.269 -1.870 1
1 204 . 14 1 1 A 23 23 LEU N N 23 123.450 120.081 3.369 1
1 205 . 14 1 1 A 24 24 LYS H H 24 8.166 8.144 0.022 1
1 206 . 14 1 1 A 24 24 LYS HA H 24 4.074 4.080 -0.006 1
1 215 . 14 1 1 A 24 24 LYS C C 24 177.631 178.890 -1.259 1
1 216 . 14 1 1 A 24 24 LYS CA C 24 60.367 59.692 0.675 1
1 217 . 14 1 1 A 24 24 LYS CB C 24 32.554 32.249 0.305 1
1 221 . 14 1 1 A 24 24 LYS N N 24 117.974 118.491 -0.517 1
1 222 . 14 1 1 A 25 25 LYS H H 25 7.837 7.921 -0.084 1
1 223 . 14 1 1 A 25 25 LYS HA H 25 4.205 4.012 0.193 1
1 232 . 14 1 1 A 25 25 LYS C C 25 179.695 178.786 0.909 1
1 233 . 14 1 1 A 25 25 LYS CA C 25 59.704 59.079 0.625 1
1 234 . 14 1 1 A 25 25 LYS CB C 25 31.816 32.253 -0.437 1
1 238 . 14 1 1 A 25 25 LYS N N 25 120.567 119.151 1.416 1
1 239 . 14 1 1 A 26 26 TYR H H 26 8.158 8.120 0.038 1
1 240 . 14 1 1 A 26 26 TYR HA H 26 4.089 4.227 -0.138 1
1 247 . 14 1 1 A 26 26 TYR C C 26 180.035 178.713 1.322 1
1 248 . 14 1 1 A 26 26 TYR CA C 26 63.104 60.208 2.896 1
1 249 . 14 1 1 A 26 26 TYR CB C 26 36.926 37.468 -0.542 1
1 254 . 14 1 1 A 26 26 TYR N N 26 118.591 118.388 0.203 1
1 255 . 14 1 1 A 27 27 TRP H H 27 9.294 8.063 1.231 1
1 256 . 14 1 1 A 27 27 TRP HA H 27 4.349 4.377 -0.028 1
1 265 . 14 1 1 A 27 27 TRP C C 27 179.209 178.495 0.714 1
1 266 . 14 1 1 A 27 27 TRP CA C 27 61.357 60.699 0.658 1
1 267 . 14 1 1 A 27 27 TRP CB C 27 28.481 29.857 -1.376 1
1 273 . 14 1 1 A 27 27 TRP N N 27 125.036 122.264 2.772 1
1 275 . 14 1 1 A 28 28 ASP H H 28 9.354 8.347 1.007 1
1 276 . 14 1 1 A 28 28 ASP HA H 28 4.479 4.645 -0.166 1
1 279 . 14 1 1 A 28 28 ASP C C 28 176.999 177.225 -0.226 1
1 280 . 14 1 1 A 28 28 ASP CA C 28 57.024 56.866 0.158 1
1 281 . 14 1 1 A 28 28 ASP CB C 28 39.894 40.910 -1.016 1
1 282 . 14 1 1 A 28 28 ASP N N 28 121.650 119.327 2.323 1
1 283 . 14 1 1 A 29 29 ASN H H 29 7.569 8.285 -0.716 1
1 284 . 14 1 1 A 29 29 ASN HA H 29 4.905 4.918 -0.013 1
1 289 . 14 1 1 A 29 29 ASN C C 29 174.935 175.499 -0.564 1
1 290 . 14 1 1 A 29 29 ASN CA C 29 52.819 52.775 0.044 1
1 291 . 14 1 1 A 29 29 ASN CB C 29 39.320 39.039 0.281 1
1 292 . 14 1 1 A 29 29 ASN N N 29 116.912 115.549 1.363 1
1 294 . 14 1 1 A 30 30 GLY H H 30 7.695 7.790 -0.095 1
1 295 . 14 1 1 A 30 30 GLY HA2 H 30 3.603 3.693 -0.090 1
1 296 . 14 1 1 A 30 30 GLY HA3 H 30 4.489 3.832 0.657 1
1 297 . 14 1 1 A 30 30 GLY C C 30 174.571 174.480 0.091 1
1 298 . 14 1 1 A 30 30 GLY CA C 30 45.332 46.580 -1.248 1
1 299 . 14 1 1 A 30 30 GLY N N 30 105.356 108.447 -3.091 1
1 300 . 14 1 1 A 31 31 MET H H 31 8.574 7.865 0.709 1
1 301 . 14 1 1 A 31 31 MET HA H 31 4.769 4.494 0.275 1
1 309 . 14 1 1 A 31 31 MET C C 31 173.381 176.115 -2.734 1
1 310 . 14 1 1 A 31 31 MET CA C 31 54.301 54.138 0.163 1
1 311 . 14 1 1 A 31 31 MET CB C 31 31.899 30.870 1.029 1
1 314 . 14 1 1 A 31 31 MET N N 31 125.209 120.481 4.728 1
1 315 . 14 1 1 A 32 32 THR H H 32 7.284 7.544 -0.260 1
1 316 . 14 1 1 A 32 32 THR HA H 32 4.003 4.325 -0.322 1
1 321 . 14 1 1 A 32 32 THR C C 32 173.721 173.328 0.393 1
1 322 . 14 1 1 A 32 32 THR CA C 32 59.873 60.208 -0.335 1
1 323 . 14 1 1 A 32 32 THR CB C 32 69.651 68.042 1.609 1
1 325 . 14 1 1 A 32 32 THR N N 32 108.409 112.821 -4.412 1
1 326 . 14 1 1 A 33 33 SER H H 33 7.809 7.585 0.224 1
1 327 . 14 1 1 A 33 33 SER HA H 33 4.614 4.816 -0.202 1
1 330 . 14 1 1 A 33 33 SER C C 33 171.608 173.062 -1.454 1
1 331 . 14 1 1 A 33 33 SER CA C 33 56.764 56.510 0.254 1
1 332 . 14 1 1 A 33 33 SER CB C 33 65.653 64.723 0.930 1
1 333 . 14 1 1 A 33 33 SER N N 33 115.742 115.916 -0.174 1
1 334 . 14 1 1 A 34 34 LEU H H 34 8.284 8.440 -0.156 1
1 335 . 14 1 1 A 34 34 LEU HA H 34 4.488 4.351 0.137 1
1 345 . 14 1 1 A 34 34 LEU C C 34 178.335 177.795 0.540 1
1 346 . 14 1 1 A 34 34 LEU CA C 34 54.583 56.106 -1.523 1
1 347 . 14 1 1 A 34 34 LEU CB C 34 41.872 42.310 -0.438 1
1 351 . 14 1 1 A 34 34 LEU N N 34 116.566 123.170 -6.604 1
1 352 . 14 1 1 A 35 35 GLY H H 35 8.159 8.170 -0.011 1
1 353 . 14 1 1 A 35 35 GLY HA2 H 35 4.239 4.031 0.208 1
1 354 . 14 1 1 A 35 35 GLY HA3 H 35 3.949 4.036 -0.087 1
1 355 . 14 1 1 A 35 35 GLY C C 35 175.299 174.936 0.363 1
1 356 . 14 1 1 A 35 35 GLY CA C 35 44.707 45.002 -0.295 1
1 357 . 14 1 1 A 35 35 GLY N N 35 106.688 107.144 -0.456 1
1 358 . 14 1 1 A 36 36 SER HA H 36 4.123 4.037 0.086 1
1 360 . 14 1 1 A 36 36 SER CA C 36 61.785 62.758 -0.973 1
1 361 . 14 1 1 A 36 36 SER CB C 36 62.793 62.637 0.156 1
1 362 . 14 1 1 A 37 37 VAL HA H 37 4.155 3.700 0.455 1
1 370 . 14 1 1 A 37 37 VAL C C 37 177.048 177.258 -0.210 1
1 371 . 14 1 1 A 37 37 VAL CA C 37 64.423 64.910 -0.487 1
1 372 . 14 1 1 A 37 37 VAL CB C 37 31.486 31.570 -0.084 1
1 375 . 14 1 1 A 38 38 CYS H H 38 7.746 8.003 -0.257 1
1 376 . 14 1 1 A 38 38 CYS HA H 38 4.787 4.495 0.292 1
1 379 . 14 1 1 A 38 38 CYS C C 38 174.522 176.325 -1.803 1
1 380 . 14 1 1 A 38 38 CYS CA C 38 59.344 60.029 -0.685 1
1 381 . 14 1 1 A 38 38 CYS CB C 38 29.261 29.232 0.029 1
1 382 . 14 1 1 A 38 38 CYS N N 38 116.501 119.217 -2.716 1
1 383 . 14 1 1 A 39 39 ARG H H 39 7.633 8.380 -0.747 1
1 384 . 14 1 1 A 39 39 ARG HA H 39 3.847 3.914 -0.067 1
1 390 . 14 1 1 A 39 39 ARG C C 39 177.315 178.874 -1.559 1
1 391 . 14 1 1 A 39 39 ARG CA C 39 60.952 59.306 1.646 1
1 392 . 14 1 1 A 39 39 ARG CB C 39 30.332 29.962 0.370 1
1 395 . 14 1 1 A 39 39 ARG N N 39 122.520 122.256 0.264 1
1 396 . 14 1 1 A 40 40 GLU H H 40 8.827 8.566 0.261 1
1 397 . 14 1 1 A 40 40 GLU HA H 40 4.070 3.989 0.081 1
1 402 . 14 1 1 A 40 40 GLU C C 40 179.719 179.310 0.409 1
1 403 . 14 1 1 A 40 40 GLU CA C 40 60.065 59.135 0.930 1
1 404 . 14 1 1 A 40 40 GLU CB C 40 29.094 29.087 0.007 1
1 406 . 14 1 1 A 40 40 GLU N N 40 116.909 117.692 -0.783 1
1 407 . 14 1 1 A 41 41 LYS H H 41 7.660 7.674 -0.014 1
1 408 . 14 1 1 A 41 41 LYS HA H 41 4.293 3.848 0.445 1
1 416 . 14 1 1 A 41 41 LYS C C 41 176.854 179.016 -2.162 1
1 417 . 14 1 1 A 41 41 LYS CA C 41 59.908 59.007 0.901 1
1 418 . 14 1 1 A 41 41 LYS CB C 41 33.704 31.910 1.794 1
1 422 . 14 1 1 A 41 41 LYS N N 41 120.497 118.779 1.718 1
1 423 . 14 1 1 A 42 42 ILE H H 42 8.050 8.321 -0.271 1
1 424 . 14 1 1 A 42 42 ILE HA H 42 3.756 3.508 0.248 1
1 434 . 14 1 1 A 42 42 ILE C C 42 177.607 177.732 -0.125 1
1 435 . 14 1 1 A 42 42 ILE CA C 42 65.460 65.192 0.268 1
1 436 . 14 1 1 A 42 42 ILE CB C 42 38.516 37.596 0.920 1
1 440 . 14 1 1 A 42 42 ILE N N 42 119.276 120.352 -1.076 1
1 441 . 14 1 1 A 43 43 GLU H H 43 8.142 8.445 -0.303 1
1 442 . 14 1 1 A 43 43 GLU HA H 43 4.011 4.018 -0.007 1
1 447 . 14 1 1 A 43 43 GLU C C 43 179.477 178.597 0.880 1
1 448 . 14 1 1 A 43 43 GLU CA C 43 59.340 59.334 0.006 1
1 449 . 14 1 1 A 43 43 GLU CB C 43 29.425 29.228 0.197 1
1 451 . 14 1 1 A 43 43 GLU N N 43 116.432 120.129 -3.697 1
1 452 . 14 1 1 A 44 44 ALA H H 44 8.053 7.998 0.055 1
1 453 . 14 1 1 A 44 44 ALA HA H 44 4.217 4.225 -0.008 1
1 457 . 14 1 1 A 44 44 ALA C C 44 180.958 179.030 1.928 1
1 458 . 14 1 1 A 44 44 ALA CA C 44 55.453 54.692 0.761 1
1 459 . 14 1 1 A 44 44 ALA CB C 44 18.553 19.426 -0.873 1
1 460 . 14 1 1 A 44 44 ALA N N 44 122.819 122.954 -0.135 1
1 461 . 14 1 1 A 45 45 VAL H H 45 8.400 7.540 0.860 1
1 462 . 14 1 1 A 45 45 VAL HA H 45 3.530 3.867 -0.337 1
1 470 . 14 1 1 A 45 45 VAL C C 45 176.465 177.153 -0.688 1
1 471 . 14 1 1 A 45 45 VAL CA C 45 65.075 64.893 0.182 1
1 472 . 14 1 1 A 45 45 VAL CB C 45 29.673 31.221 -1.548 1
1 475 . 14 1 1 A 45 45 VAL N N 45 120.862 117.049 3.813 1
1 476 . 14 1 1 A 46 46 ALA H H 46 8.225 7.892 0.333 1
1 477 . 14 1 1 A 46 46 ALA HA H 46 3.787 4.130 -0.343 1
1 481 . 14 1 1 A 46 46 ALA C C 46 180.205 179.502 0.703 1
1 482 . 14 1 1 A 46 46 ALA CA C 46 55.753 55.256 0.497 1
1 483 . 14 1 1 A 46 46 ALA CB C 46 18.516 18.747 -0.231 1
1 484 . 14 1 1 A 46 46 ALA N N 46 125.827 123.576 2.251 1
1 485 . 14 1 1 A 47 47 THR H H 47 7.850 7.548 0.302 1
1 486 . 14 1 1 A 47 47 THR HA H 47 4.084 3.982 0.102 1
1 491 . 14 1 1 A 47 47 THR C C 47 177.339 176.473 0.866 1
1 492 . 14 1 1 A 47 47 THR CA C 47 66.492 64.801 1.691 1
1 493 . 14 1 1 A 47 47 THR CB C 47 68.772 68.882 -0.110 1
1 495 . 14 1 1 A 47 47 THR N N 47 113.467 112.262 1.205 1
1 496 . 14 1 1 A 48 48 GLU H H 48 8.050 8.234 -0.184 1
1 497 . 14 1 1 A 48 48 GLU HA H 48 4.001 4.087 -0.086 1
1 502 . 14 1 1 A 48 48 GLU C C 48 178.457 178.142 0.315 1
1 503 . 14 1 1 A 48 48 GLU CA C 48 60.174 58.656 1.518 1
1 504 . 14 1 1 A 48 48 GLU CB C 48 29.719 29.655 0.064 1
1 506 . 14 1 1 A 48 48 GLU N N 48 123.295 120.864 2.431 1
1 507 . 14 1 1 A 49 49 LEU H H 49 8.198 7.484 0.714 1
1 508 . 14 1 1 A 49 49 LEU HA H 49 4.215 4.316 -0.101 1
1 518 . 14 1 1 A 49 49 LEU C C 49 176.344 175.917 0.427 1
1 519 . 14 1 1 A 49 49 LEU CA C 49 55.050 54.839 0.211 1
1 520 . 14 1 1 A 49 49 LEU CB C 49 42.861 42.314 0.547 1
1 524 . 14 1 1 A 49 49 LEU N N 49 115.963 118.111 -2.148 1
1 525 . 14 1 1 A 50 50 ASN H H 50 8.008 7.886 0.122 1
1 526 . 14 1 1 A 50 50 ASN HA H 50 4.411 4.282 0.129 1
1 531 . 14 1 1 A 50 50 ASN C C 50 174.522 173.816 0.706 1
1 532 . 14 1 1 A 50 50 ASN CA C 50 54.159 54.468 -0.309 1
1 533 . 14 1 1 A 50 50 ASN CB C 50 37.446 36.643 0.803 1
1 534 . 14 1 1 A 50 50 ASN N N 50 118.398 115.648 2.750 1
1 536 . 14 1 1 A 51 51 VAL H H 51 8.240 7.424 0.816 1
1 537 . 14 1 1 A 51 51 VAL HA H 51 4.792 4.859 -0.067 1
1 545 . 14 1 1 A 51 51 VAL C C 51 174.619 174.794 -0.175 1
1 546 . 14 1 1 A 51 51 VAL CA C 51 58.674 58.532 0.142 1
1 547 . 14 1 1 A 51 51 VAL CB C 51 36.102 35.468 0.634 1
1 550 . 14 1 1 A 51 51 VAL N N 51 110.142 111.133 -0.991 1
1 551 . 14 1 1 A 52 52 ASP H H 52 8.164 8.679 -0.515 1
1 552 . 14 1 1 A 52 52 ASP HA H 52 4.597 4.590 0.007 1
1 555 . 14 1 1 A 52 52 ASP C C 52 178.262 178.462 -0.200 1
1 556 . 14 1 1 A 52 52 ASP CA C 52 54.423 54.983 -0.560 1
1 557 . 14 1 1 A 52 52 ASP CB C 52 43.200 40.924 2.276 1
1 558 . 14 1 1 A 52 52 ASP N N 52 120.019 122.274 -2.255 1
1 559 . 14 1 1 A 53 53 CYS H H 53 8.967 9.038 -0.071 1
1 560 . 14 1 1 A 53 53 CYS HA H 53 3.862 4.090 -0.228 1
1 563 . 14 1 1 A 53 53 CYS C C 53 176.975 177.024 -0.049 1
1 564 . 14 1 1 A 53 53 CYS CA C 53 63.438 62.350 1.088 1
1 565 . 14 1 1 A 53 53 CYS CB C 53 27.358 27.513 -0.155 1
1 566 . 14 1 1 A 53 53 CYS N N 53 122.121 123.962 -1.841 1
1 567 . 14 1 1 A 54 54 GLU H H 54 9.357 8.336 1.021 1
1 568 . 14 1 1 A 54 54 GLU HA H 54 4.083 4.077 0.006 1
1 573 . 14 1 1 A 54 54 GLU C C 54 179.064 179.044 0.020 1
1 574 . 14 1 1 A 54 54 GLU CA C 54 59.626 59.422 0.204 1
1 575 . 14 1 1 A 54 54 GLU CB C 54 29.178 29.405 -0.227 1
1 577 . 14 1 1 A 54 54 GLU N N 54 120.121 120.852 -0.731 1
1 578 . 14 1 1 A 55 55 ILE H H 55 7.650 8.527 -0.877 1
1 579 . 14 1 1 A 55 55 ILE HA H 55 4.005 3.838 0.167 1
1 589 . 14 1 1 A 55 55 ILE C C 55 179.331 178.780 0.551 1
1 590 . 14 1 1 A 55 55 ILE CA C 55 63.558 65.504 -1.946 1
1 591 . 14 1 1 A 55 55 ILE CB C 55 36.988 38.031 -1.043 1
1 595 . 14 1 1 A 55 55 ILE N N 55 119.061 120.153 -1.092 1
1 596 . 14 1 1 A 56 56 VAL H H 56 6.973 7.696 -0.723 1
1 597 . 14 1 1 A 56 56 VAL HA H 56 3.651 3.687 -0.036 1
1 605 . 14 1 1 A 56 56 VAL C C 56 177.874 178.137 -0.263 1
1 606 . 14 1 1 A 56 56 VAL CA C 56 66.847 66.612 0.235 1
1 607 . 14 1 1 A 56 56 VAL CB C 56 31.486 31.757 -0.271 1
1 610 . 14 1 1 A 56 56 VAL N N 56 121.206 120.579 0.627 1
1 611 . 14 1 1 A 57 57 ARG H H 57 8.508 8.273 0.235 1
1 612 . 14 1 1 A 57 57 ARG HA H 57 3.928 4.039 -0.111 1
1 618 . 14 1 1 A 57 57 ARG C C 57 179.282 178.996 0.286 1
1 619 . 14 1 1 A 57 57 ARG CA C 57 61.095 60.079 1.016 1
1 620 . 14 1 1 A 57 57 ARG CB C 57 30.261 30.143 0.118 1
1 623 . 14 1 1 A 57 57 ARG N N 57 118.801 119.302 -0.501 1
1 624 . 14 1 1 A 58 58 THR H H 58 8.528 8.325 0.203 1
1 625 . 14 1 1 A 58 58 THR HA H 58 4.013 4.037 -0.024 1
1 630 . 14 1 1 A 58 58 THR C C 58 175.518 176.304 -0.786 1
1 631 . 14 1 1 A 58 58 THR CA C 58 66.879 66.688 0.191 1
1 632 . 14 1 1 A 58 58 THR CB C 58 68.826 68.690 0.136 1
1 634 . 14 1 1 A 58 58 THR N N 58 117.805 117.168 0.637 1
1 635 . 14 1 1 A 59 59 TRP H H 59 7.904 8.101 -0.197 1
1 636 . 14 1 1 A 59 59 TRP HA H 59 4.228 4.385 -0.157 1
1 645 . 14 1 1 A 59 59 TRP C C 59 179.015 178.441 0.574 1
1 646 . 14 1 1 A 59 59 TRP CA C 59 63.377 61.506 1.871 1
1 647 . 14 1 1 A 59 59 TRP CB C 59 28.280 29.496 -1.216 1
1 653 . 14 1 1 A 59 59 TRP N N 59 124.326 124.114 0.212 1
1 655 . 14 1 1 A 60 60 ILE H H 60 8.799 8.243 0.556 1
1 656 . 14 1 1 A 60 60 ILE HA H 60 3.461 3.486 -0.025 1
1 666 . 14 1 1 A 60 60 ILE C C 60 178.481 177.875 0.606 1
1 667 . 14 1 1 A 60 60 ILE CA C 60 65.878 65.086 0.792 1
1 668 . 14 1 1 A 60 60 ILE CB C 60 39.399 38.146 1.253 1
1 672 . 14 1 1 A 60 60 ILE N N 60 119.831 119.569 0.262 1
1 673 . 14 1 1 A 61 61 GLY H H 61 8.659 7.789 0.870 1
1 674 . 14 1 1 A 61 61 GLY HA2 H 61 3.705 3.767 -0.062 1
1 675 . 14 1 1 A 61 61 GLY HA3 H 61 4.118 3.791 0.327 1
1 676 . 14 1 1 A 61 61 GLY C C 61 176.878 175.690 1.188 1
1 677 . 14 1 1 A 61 61 GLY CA C 61 47.388 47.286 0.102 1
1 678 . 14 1 1 A 61 61 GLY N N 61 106.205 107.579 -1.374 1
1 679 . 14 1 1 A 62 62 ASN H H 62 8.408 8.472 -0.064 1
1 680 . 14 1 1 A 62 62 ASN HA H 62 4.452 4.377 0.075 1
1 685 . 14 1 1 A 62 62 ASN C C 62 177.461 177.537 -0.076 1
1 686 . 14 1 1 A 62 62 ASN CA C 62 55.480 56.273 -0.793 1
1 687 . 14 1 1 A 62 62 ASN CB C 62 37.951 38.959 -1.008 1
1 688 . 14 1 1 A 62 62 ASN N N 62 120.644 119.727 0.917 1
1 690 . 14 1 1 A 63 63 ARG H H 63 7.816 7.980 -0.164 1
1 691 . 14 1 1 A 63 63 ARG HA H 63 3.544 3.906 -0.362 1
1 698 . 14 1 1 A 63 63 ARG C C 63 178.189 178.300 -0.111 1
1 699 . 14 1 1 A 63 63 ARG CA C 63 59.219 59.378 -0.159 1
1 700 . 14 1 1 A 63 63 ARG CB C 63 29.077 29.772 -0.695 1
1 703 . 14 1 1 A 63 63 ARG N N 63 124.207 119.097 5.110 1
1 704 . 14 1 1 A 64 64 ARG H H 64 8.578 8.009 0.569 1
1 705 . 14 1 1 A 64 64 ARG HA H 64 4.057 3.964 0.093 1
1 712 . 14 1 1 A 64 64 ARG C C 64 179.039 178.652 0.387 1
1 713 . 14 1 1 A 64 64 ARG CA C 64 60.190 59.895 0.295 1
1 714 . 14 1 1 A 64 64 ARG CB C 64 30.579 29.806 0.773 1
1 717 . 14 1 1 A 64 64 ARG N N 64 117.839 117.773 0.066 1
1 718 . 14 1 1 A 65 65 ARG H H 65 7.712 7.717 -0.005 1
1 719 . 14 1 1 A 65 65 ARG HA H 65 4.091 4.068 0.023 1
1 726 . 14 1 1 A 65 65 ARG C C 65 178.214 178.588 -0.374 1
1 727 . 14 1 1 A 65 65 ARG CA C 65 59.556 59.328 0.228 1
1 728 . 14 1 1 A 65 65 ARG CB C 65 30.167 29.670 0.497 1
1 731 . 14 1 1 A 65 65 ARG N N 65 118.827 119.559 -0.732 1
1 732 . 14 1 1 A 66 66 LYS H H 66 7.848 7.967 -0.119 1
1 733 . 14 1 1 A 66 66 LYS HA H 66 3.997 4.053 -0.056 1
1 741 . 14 1 1 A 66 66 LYS C C 66 178.481 179.583 -1.102 1
1 742 . 14 1 1 A 66 66 LYS CA C 66 59.110 59.105 0.005 1
1 743 . 14 1 1 A 66 66 LYS CB C 66 32.226 32.391 -0.165 1
1 747 . 14 1 1 A 66 66 LYS N N 66 120.251 117.971 2.280 1
1 748 . 14 1 1 A 67 67 TYR H H 67 8.324 8.359 -0.035 1
1 749 . 14 1 1 A 67 67 TYR HA H 67 4.274 4.255 0.019 1
1 756 . 14 1 1 A 67 67 TYR C C 67 177.412 178.170 -0.758 1
1 757 . 14 1 1 A 67 67 TYR CA C 67 60.576 61.002 -0.426 1
1 758 . 14 1 1 A 67 67 TYR CB C 67 37.043 37.833 -0.790 1
1 763 . 14 1 1 A 67 67 TYR N N 67 118.725 119.745 -1.020 1
1 764 . 14 1 1 A 68 68 ARG H H 68 8.084 7.972 0.112 1
1 765 . 14 1 1 A 68 68 ARG HA H 68 4.218 4.158 0.060 1
1 772 . 14 1 1 A 68 68 ARG C C 68 179.209 178.669 0.540 1
1 773 . 14 1 1 A 68 68 ARG CA C 68 58.616 59.263 -0.647 1
1 774 . 14 1 1 A 68 68 ARG CB C 68 29.343 30.169 -0.826 1
1 777 . 14 1 1 A 68 68 ARG N N 68 119.763 120.144 -0.381 1
1 778 . 14 1 1 A 69 69 LEU H H 69 8.168 7.998 0.170 1
1 779 . 14 1 1 A 69 69 LEU HA H 69 4.244 3.987 0.257 1
1 789 . 14 1 1 A 69 69 LEU C C 69 178.457 178.801 -0.344 1
1 790 . 14 1 1 A 69 69 LEU CA C 69 56.981 57.761 -0.780 1
1 791 . 14 1 1 A 69 69 LEU CB C 69 41.955 41.619 0.336 1
1 795 . 14 1 1 A 69 69 LEU N N 69 120.874 120.374 0.500 1
1 796 . 14 1 1 A 70 70 MET H H 70 7.942 7.695 0.247 1
1 797 . 14 1 1 A 70 70 MET HA H 70 4.440 4.390 0.050 1
1 805 . 14 1 1 A 70 70 MET C C 70 176.417 176.110 0.307 1
1 806 . 14 1 1 A 70 70 MET CA C 70 55.958 55.948 0.010 1
1 807 . 14 1 1 A 70 70 MET CB C 70 33.711 32.247 1.464 1
1 810 . 14 1 1 A 70 70 MET N N 70 117.335 116.034 1.301 1
1 811 . 14 1 1 A 71 71 GLY H H 71 8.107 7.665 0.442 1
1 812 . 14 1 1 A 71 71 GLY HA2 H 71 3.906 4.041 -0.135 1
1 813 . 14 1 1 A 71 71 GLY HA3 H 71 4.055 4.046 0.009 1
1 814 . 14 1 1 A 71 71 GLY C C 71 174.255 174.772 -0.517 1
1 815 . 14 1 1 A 71 71 GLY CA C 71 45.852 45.378 0.474 1
1 816 . 14 1 1 A 71 71 GLY N N 71 109.096 105.539 3.557 1
1 817 . 14 1 1 A 72 72 ILE H H 72 8.036 7.285 0.751 1
1 818 . 14 1 1 A 72 72 ILE HA H 72 4.197 4.119 0.078 1
1 828 . 14 1 1 A 72 72 ILE C C 72 175.712 175.373 0.339 1
1 829 . 14 1 1 A 72 72 ILE CA C 72 60.626 61.059 -0.433 1
1 830 . 14 1 1 A 72 72 ILE CB C 72 39.203 36.684 2.519 1
1 834 . 14 1 1 A 72 72 ILE N N 72 120.615 122.660 -2.045 1
1 835 . 14 1 1 A 73 73 GLU H H 73 8.523 8.121 0.402 1
1 836 . 14 1 1 A 73 73 GLU HA H 73 4.306 4.619 -0.313 1
1 841 . 14 1 1 A 73 73 GLU C C 73 176.417 175.557 0.860 1
1 842 . 14 1 1 A 73 73 GLU CA C 73 56.551 56.316 0.235 1
1 843 . 14 1 1 A 73 73 GLU CB C 73 30.167 30.006 0.161 1
1 845 . 14 1 1 A 73 73 GLU N N 73 125.837 127.367 -1.530 1
1 846 . 14 1 1 A 74 74 VAL H H 74 8.319 8.477 -0.158 1
1 847 . 14 1 1 A 74 74 VAL HA H 74 4.187 5.054 -0.867 1
1 855 . 14 1 1 A 74 74 VAL C C 74 176.052 175.194 0.858 1
1 856 . 14 1 1 A 74 74 VAL CA C 74 62.103 59.569 2.534 1
1 857 . 14 1 1 A 74 74 VAL CB C 74 33.063 34.830 -1.767 1
1 860 . 14 1 1 A 74 74 VAL N N 74 122.642 125.155 -2.513 1
1 861 . 14 1 1 A 75 75 SER H H 75 8.460 8.997 -0.537 1
1 862 . 14 1 1 A 75 75 SER HA H 75 4.469 4.488 -0.019 1
1 865 . 14 1 1 A 75 75 SER C C 75 174.547 173.977 0.570 1
1 866 . 14 1 1 A 75 75 SER CA C 75 58.413 59.395 -0.982 1
1 867 . 14 1 1 A 75 75 SER CB C 75 64.015 64.639 -0.624 1
1 868 . 14 1 1 A 75 75 SER N N 75 120.411 123.723 -3.312 1
1 869 . 14 1 1 A 76 76 GLY H H 76 8.307 7.695 0.612 1
1 870 . 14 1 1 A 76 76 GLY HA2 H 76 4.096 3.971 0.125 1
1 871 . 14 1 1 A 76 76 GLY C C 76 171.729 174.202 -2.473 1
1 872 . 14 1 1 A 76 76 GLY CA C 76 44.566 44.795 -0.229 1
1 873 . 14 1 1 A 76 76 GLY N N 76 110.975 106.081 4.894 1
1 874 . 14 1 1 A 77 77 PRO HA H 77 4.508 4.411 0.097 1
1 880 . 14 1 1 A 77 77 PRO CA C 77 63.054 63.834 -0.780 1
1 881 . 14 1 1 A 77 77 PRO CB C 77 32.299 31.599 0.700 1
1 884 . 14 1 1 A 79 79 SER HA H 79 4.507 4.903 -0.396 1
1 887 . 14 1 1 A 79 79 SER C C 79 173.939 172.270 1.669 1
1 888 . 14 1 1 A 79 79 SER CA C 79 58.427 57.523 0.904 1
1 889 . 14 1 1 A 79 79 SER CB C 79 64.293 65.103 -0.810 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.969 3.963 0.006 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.969 3.965 0.004 1
1 3 . 15 1 1 A 7 7 GLY C C 7 173.939 175.383 -1.444 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.342 45.463 -0.121 1
1 5 . 15 1 1 A 8 8 ALA H H 8 8.128 8.028 0.100 1
1 6 . 15 1 1 A 8 8 ALA HA H 8 4.329 4.221 0.108 1
1 10 . 15 1 1 A 8 8 ALA C C 8 177.971 177.649 0.322 1
1 11 . 15 1 1 A 8 8 ALA CA C 8 52.565 54.714 -2.149 1
1 12 . 15 1 1 A 8 8 ALA CB C 8 19.287 19.144 0.143 1
1 13 . 15 1 1 A 8 8 ALA N N 8 123.703 122.921 0.782 1
1 14 . 15 1 1 A 9 9 LEU H H 9 8.240 7.687 0.553 1
1 15 . 15 1 1 A 9 9 LEU HA H 9 4.304 4.623 -0.319 1
1 25 . 15 1 1 A 9 9 LEU C C 9 177.655 176.633 1.022 1
1 26 . 15 1 1 A 9 9 LEU CA C 9 55.570 53.111 2.459 1
1 27 . 15 1 1 A 9 9 LEU CB C 9 42.202 43.853 -1.651 1
1 31 . 15 1 1 A 9 9 LEU N N 9 121.161 115.032 6.129 1
1 32 . 15 1 1 A 10 10 GLN H H 10 8.305 9.056 -0.751 1
1 33 . 15 1 1 A 10 10 GLN HA H 10 4.313 4.134 0.179 1
1 40 . 15 1 1 A 10 10 GLN C C 10 175.737 176.876 -1.139 1
1 41 . 15 1 1 A 10 10 GLN CA C 10 56.099 58.330 -2.231 1
1 42 . 15 1 1 A 10 10 GLN CB C 10 29.425 29.424 0.001 1
1 44 . 15 1 1 A 10 10 GLN N N 10 120.538 122.716 -2.178 1
1 46 . 15 1 1 A 11 11 ASP H H 11 8.306 8.135 0.171 1
1 47 . 15 1 1 A 11 11 ASP HA H 11 4.589 4.963 -0.374 1
1 50 . 15 1 1 A 11 11 ASP C C 11 176.319 175.258 1.061 1
1 51 . 15 1 1 A 11 11 ASP CA C 11 54.583 55.826 -1.243 1
1 52 . 15 1 1 A 11 11 ASP CB C 11 41.204 43.581 -2.377 1
1 53 . 15 1 1 A 11 11 ASP N N 11 121.418 117.551 3.867 1
1 54 . 15 1 1 A 12 12 ARG H H 12 8.257 7.656 0.601 1
1 55 . 15 1 1 A 12 12 ARG HA H 12 4.408 4.631 -0.223 1
1 62 . 15 1 1 A 12 12 ARG C C 12 176.295 173.980 2.315 1
1 63 . 15 1 1 A 12 12 ARG CA C 12 56.088 55.613 0.475 1
1 64 . 15 1 1 A 12 12 ARG CB C 12 30.579 33.865 -3.286 1
1 67 . 15 1 1 A 12 12 ARG N N 12 121.271 117.615 3.656 1
1 68 . 15 1 1 A 13 13 THR H H 13 8.189 8.615 -0.426 1
1 69 . 15 1 1 A 13 13 THR HA H 13 4.193 5.072 -0.879 1
1 74 . 15 1 1 A 13 13 THR C C 13 174.121 172.822 1.299 1
1 75 . 15 1 1 A 13 13 THR CA C 13 62.448 60.578 1.870 1
1 76 . 15 1 1 A 13 13 THR CB C 13 69.697 70.348 -0.651 1
1 78 . 15 1 1 A 13 13 THR N N 13 114.810 115.794 -0.984 1
1 79 . 15 1 1 A 14 14 GLN H H 14 8.130 8.665 -0.535 1
1 80 . 15 1 1 A 14 14 GLN HA H 14 4.314 4.478 -0.164 1
1 87 . 15 1 1 A 14 14 GLN C C 14 175.275 174.585 0.690 1
1 88 . 15 1 1 A 14 14 GLN CA C 14 55.253 55.247 0.006 1
1 89 . 15 1 1 A 14 14 GLN CB C 14 29.838 29.738 0.100 1
1 91 . 15 1 1 A 14 14 GLN N N 14 122.533 125.914 -3.381 1
1 93 . 15 1 1 A 15 15 PHE H H 15 8.151 9.002 -0.851 1
1 94 . 15 1 1 A 15 15 PHE HA H 15 5.009 5.086 -0.077 1
1 102 . 15 1 1 A 15 15 PHE C C 15 176.465 175.611 0.854 1
1 103 . 15 1 1 A 15 15 PHE CA C 15 57.157 57.125 0.032 1
1 104 . 15 1 1 A 15 15 PHE CB C 15 40.996 40.906 0.090 1
1 110 . 15 1 1 A 15 15 PHE N N 15 120.835 126.984 -6.149 1
1 111 . 15 1 1 A 16 16 SER H H 16 9.565 8.497 1.068 1
1 112 . 15 1 1 A 16 16 SER HA H 16 4.610 4.553 0.057 1
1 115 . 15 1 1 A 16 16 SER C C 16 174.547 175.124 -0.577 1
1 116 . 15 1 1 A 16 16 SER CA C 16 56.946 58.280 -1.334 1
1 117 . 15 1 1 A 16 16 SER CB C 16 65.545 63.650 1.895 1
1 118 . 15 1 1 A 16 16 SER N N 16 119.442 119.171 0.271 1
1 119 . 15 1 1 A 17 17 ASP H H 17 8.947 9.229 -0.282 1
1 120 . 15 1 1 A 17 17 ASP HA H 17 4.386 4.206 0.180 1
1 123 . 15 1 1 A 17 17 ASP C C 17 179.331 177.912 1.419 1
1 124 . 15 1 1 A 17 17 ASP CA C 17 58.074 58.079 -0.005 1
1 125 . 15 1 1 A 17 17 ASP CB C 17 39.875 40.798 -0.923 1
1 126 . 15 1 1 A 17 17 ASP N N 17 120.645 127.143 -6.498 1
1 127 . 15 1 1 A 18 18 ARG H H 18 8.302 8.313 -0.011 1
1 128 . 15 1 1 A 18 18 ARG HA H 18 4.098 3.991 0.107 1
1 135 . 15 1 1 A 18 18 ARG C C 18 178.699 178.726 -0.027 1
1 136 . 15 1 1 A 18 18 ARG CA C 18 59.203 59.858 -0.655 1
1 137 . 15 1 1 A 18 18 ARG CB C 18 29.920 29.968 -0.048 1
1 140 . 15 1 1 A 18 18 ARG N N 18 121.398 117.827 3.571 1
1 141 . 15 1 1 A 19 19 ASP H H 19 7.853 8.004 -0.151 1
1 142 . 15 1 1 A 19 19 ASP HA H 19 4.151 4.345 -0.194 1
1 145 . 15 1 1 A 19 19 ASP C C 19 178.384 178.907 -0.523 1
1 146 . 15 1 1 A 19 19 ASP CA C 19 57.348 57.136 0.212 1
1 147 . 15 1 1 A 19 19 ASP CB C 19 40.392 40.974 -0.582 1
1 148 . 15 1 1 A 19 19 ASP N N 19 122.636 119.907 2.729 1
1 149 . 15 1 1 A 20 20 LEU H H 20 8.335 8.313 0.022 1
1 150 . 15 1 1 A 20 20 LEU HA H 20 3.635 3.664 -0.029 1
1 160 . 15 1 1 A 20 20 LEU C C 20 179.234 178.781 0.453 1
1 161 . 15 1 1 A 20 20 LEU CA C 20 57.587 57.819 -0.232 1
1 162 . 15 1 1 A 20 20 LEU CB C 20 41.658 41.505 0.153 1
1 166 . 15 1 1 A 20 20 LEU N N 20 118.845 119.602 -0.757 1
1 167 . 15 1 1 A 21 21 ALA H H 21 7.905 8.586 -0.681 1
1 168 . 15 1 1 A 21 21 ALA HA H 21 4.123 4.029 0.094 1
1 172 . 15 1 1 A 21 21 ALA C C 21 181.031 180.038 0.993 1
1 173 . 15 1 1 A 21 21 ALA CA C 21 55.103 55.488 -0.385 1
1 174 . 15 1 1 A 21 21 ALA CB C 21 17.709 18.608 -0.899 1
1 175 . 15 1 1 A 21 21 ALA N N 21 122.007 120.889 1.118 1
1 176 . 15 1 1 A 22 22 THR H H 22 7.886 7.649 0.237 1
1 177 . 15 1 1 A 22 22 THR HA H 22 3.954 3.859 0.095 1
1 182 . 15 1 1 A 22 22 THR C C 22 175.834 176.271 -0.437 1
1 183 . 15 1 1 A 22 22 THR CA C 22 67.081 67.600 -0.519 1
1 184 . 15 1 1 A 22 22 THR CB C 22 68.253 68.732 -0.479 1
1 186 . 15 1 1 A 22 22 THR N N 22 119.042 113.209 5.833 1
1 187 . 15 1 1 A 23 23 LEU H H 23 8.036 8.134 -0.098 1
1 188 . 15 1 1 A 23 23 LEU HA H 23 3.404 3.719 -0.315 1
1 198 . 15 1 1 A 23 23 LEU C C 23 178.335 178.719 -0.384 1
1 199 . 15 1 1 A 23 23 LEU CA C 23 59.230 58.098 1.132 1
1 200 . 15 1 1 A 23 23 LEU CB C 23 39.399 41.203 -1.804 1
1 204 . 15 1 1 A 23 23 LEU N N 23 123.450 120.687 2.763 1
1 205 . 15 1 1 A 24 24 LYS H H 24 8.166 8.357 -0.191 1
1 206 . 15 1 1 A 24 24 LYS HA H 24 4.074 4.131 -0.057 1
1 215 . 15 1 1 A 24 24 LYS C C 24 177.631 179.296 -1.665 1
1 216 . 15 1 1 A 24 24 LYS CA C 24 60.367 60.279 0.088 1
1 217 . 15 1 1 A 24 24 LYS CB C 24 32.554 32.394 0.160 1
1 221 . 15 1 1 A 24 24 LYS N N 24 117.974 116.655 1.319 1
1 222 . 15 1 1 A 25 25 LYS H H 25 7.837 8.066 -0.229 1
1 223 . 15 1 1 A 25 25 LYS HA H 25 4.205 4.062 0.143 1
1 232 . 15 1 1 A 25 25 LYS C C 25 179.695 178.460 1.235 1
1 233 . 15 1 1 A 25 25 LYS CA C 25 59.704 59.377 0.327 1
1 234 . 15 1 1 A 25 25 LYS CB C 25 31.816 32.317 -0.501 1
1 238 . 15 1 1 A 25 25 LYS N N 25 120.567 120.632 -0.065 1
1 239 . 15 1 1 A 26 26 TYR H H 26 8.158 8.170 -0.012 1
1 240 . 15 1 1 A 26 26 TYR HA H 26 4.089 4.171 -0.082 1
1 247 . 15 1 1 A 26 26 TYR C C 26 180.035 178.777 1.258 1
1 248 . 15 1 1 A 26 26 TYR CA C 26 63.104 60.340 2.764 1
1 249 . 15 1 1 A 26 26 TYR CB C 26 36.926 38.067 -1.141 1
1 254 . 15 1 1 A 26 26 TYR N N 26 118.591 118.146 0.445 1
1 255 . 15 1 1 A 27 27 TRP H H 27 9.294 8.210 1.084 1
1 256 . 15 1 1 A 27 27 TRP HA H 27 4.349 4.420 -0.071 1
1 265 . 15 1 1 A 27 27 TRP C C 27 179.209 178.622 0.587 1
1 266 . 15 1 1 A 27 27 TRP CA C 27 61.357 60.783 0.574 1
1 267 . 15 1 1 A 27 27 TRP CB C 27 28.481 29.905 -1.424 1
1 273 . 15 1 1 A 27 27 TRP N N 27 125.036 122.301 2.735 1
1 275 . 15 1 1 A 28 28 ASP H H 28 9.354 8.241 1.113 1
1 276 . 15 1 1 A 28 28 ASP HA H 28 4.479 4.636 -0.157 1
1 279 . 15 1 1 A 28 28 ASP C C 28 176.999 177.307 -0.308 1
1 280 . 15 1 1 A 28 28 ASP CA C 28 57.024 56.894 0.130 1
1 281 . 15 1 1 A 28 28 ASP CB C 28 39.894 40.965 -1.071 1
1 282 . 15 1 1 A 28 28 ASP N N 28 121.650 119.308 2.342 1
1 283 . 15 1 1 A 29 29 ASN H H 29 7.569 8.313 -0.744 1
1 284 . 15 1 1 A 29 29 ASN HA H 29 4.905 4.930 -0.025 1
1 289 . 15 1 1 A 29 29 ASN C C 29 174.935 175.282 -0.347 1
1 290 . 15 1 1 A 29 29 ASN CA C 29 52.819 52.440 0.379 1
1 291 . 15 1 1 A 29 29 ASN CB C 29 39.320 38.644 0.676 1
1 292 . 15 1 1 A 29 29 ASN N N 29 116.912 116.659 0.253 1
1 294 . 15 1 1 A 30 30 GLY H H 30 7.695 7.804 -0.109 1
1 295 . 15 1 1 A 30 30 GLY HA2 H 30 3.603 3.707 -0.104 1
1 296 . 15 1 1 A 30 30 GLY HA3 H 30 4.489 3.845 0.644 1
1 297 . 15 1 1 A 30 30 GLY C C 30 174.571 174.418 0.153 1
1 298 . 15 1 1 A 30 30 GLY CA C 30 45.332 46.532 -1.200 1
1 299 . 15 1 1 A 30 30 GLY N N 30 105.356 108.045 -2.689 1
1 300 . 15 1 1 A 31 31 MET H H 31 8.574 7.893 0.681 1
1 301 . 15 1 1 A 31 31 MET HA H 31 4.769 4.483 0.286 1
1 309 . 15 1 1 A 31 31 MET C C 31 173.381 176.163 -2.782 1
1 310 . 15 1 1 A 31 31 MET CA C 31 54.301 54.195 0.106 1
1 311 . 15 1 1 A 31 31 MET CB C 31 31.899 30.862 1.037 1
1 314 . 15 1 1 A 31 31 MET N N 31 125.209 120.593 4.616 1
1 315 . 15 1 1 A 32 32 THR H H 32 7.284 7.909 -0.625 1
1 316 . 15 1 1 A 32 32 THR HA H 32 4.003 4.452 -0.449 1
1 321 . 15 1 1 A 32 32 THR C C 32 173.721 173.476 0.245 1
1 322 . 15 1 1 A 32 32 THR CA C 32 59.873 60.227 -0.354 1
1 323 . 15 1 1 A 32 32 THR CB C 32 69.651 68.346 1.305 1
1 325 . 15 1 1 A 32 32 THR N N 32 108.409 113.254 -4.845 1
1 326 . 15 1 1 A 33 33 SER H H 33 7.809 7.566 0.243 1
1 327 . 15 1 1 A 33 33 SER HA H 33 4.614 4.968 -0.354 1
1 330 . 15 1 1 A 33 33 SER C C 33 171.608 173.673 -2.065 1
1 331 . 15 1 1 A 33 33 SER CA C 33 56.764 57.258 -0.494 1
1 332 . 15 1 1 A 33 33 SER CB C 33 65.653 66.340 -0.687 1
1 333 . 15 1 1 A 33 33 SER N N 33 115.742 117.159 -1.417 1
1 334 . 15 1 1 A 34 34 LEU H H 34 8.284 8.522 -0.238 1
1 335 . 15 1 1 A 34 34 LEU HA H 34 4.488 4.331 0.157 1
1 345 . 15 1 1 A 34 34 LEU C C 34 178.335 177.787 0.548 1
1 346 . 15 1 1 A 34 34 LEU CA C 34 54.583 57.357 -2.774 1
1 347 . 15 1 1 A 34 34 LEU CB C 34 41.872 41.974 -0.102 1
1 351 . 15 1 1 A 34 34 LEU N N 34 116.566 125.107 -8.541 1
1 352 . 15 1 1 A 35 35 GLY H H 35 8.159 8.138 0.021 1
1 353 . 15 1 1 A 35 35 GLY HA2 H 35 4.239 4.085 0.154 1
1 354 . 15 1 1 A 35 35 GLY HA3 H 35 3.949 4.089 -0.140 1
1 355 . 15 1 1 A 35 35 GLY C C 35 175.299 175.161 0.138 1
1 356 . 15 1 1 A 35 35 GLY CA C 35 44.707 45.002 -0.295 1
1 357 . 15 1 1 A 35 35 GLY N N 35 106.688 107.592 -0.904 1
1 358 . 15 1 1 A 36 36 SER HA H 36 4.123 4.132 -0.009 1
1 360 . 15 1 1 A 36 36 SER CA C 36 61.785 61.605 0.180 1
1 361 . 15 1 1 A 36 36 SER CB C 36 62.793 62.445 0.348 1
1 362 . 15 1 1 A 37 37 VAL HA H 37 4.155 3.715 0.440 1
1 370 . 15 1 1 A 37 37 VAL C C 37 177.048 177.162 -0.114 1
1 371 . 15 1 1 A 37 37 VAL CA C 37 64.423 64.999 -0.576 1
1 372 . 15 1 1 A 37 37 VAL CB C 37 31.486 31.496 -0.010 1
1 375 . 15 1 1 A 38 38 CYS H H 38 7.746 7.472 0.274 1
1 376 . 15 1 1 A 38 38 CYS HA H 38 4.787 4.489 0.298 1
1 379 . 15 1 1 A 38 38 CYS C C 38 174.522 176.282 -1.760 1
1 380 . 15 1 1 A 38 38 CYS CA C 38 59.344 59.985 -0.641 1
1 381 . 15 1 1 A 38 38 CYS CB C 38 29.261 29.221 0.040 1
1 382 . 15 1 1 A 38 38 CYS N N 38 116.501 119.052 -2.551 1
1 383 . 15 1 1 A 39 39 ARG H H 39 7.633 8.161 -0.528 1
1 384 . 15 1 1 A 39 39 ARG HA H 39 3.847 3.946 -0.099 1
1 390 . 15 1 1 A 39 39 ARG C C 39 177.315 178.736 -1.421 1
1 391 . 15 1 1 A 39 39 ARG CA C 39 60.952 59.532 1.420 1
1 392 . 15 1 1 A 39 39 ARG CB C 39 30.332 30.284 0.048 1
1 395 . 15 1 1 A 39 39 ARG N N 39 122.520 122.651 -0.131 1
1 396 . 15 1 1 A 40 40 GLU H H 40 8.827 8.192 0.635 1
1 397 . 15 1 1 A 40 40 GLU HA H 40 4.070 3.954 0.116 1
1 402 . 15 1 1 A 40 40 GLU C C 40 179.719 179.440 0.279 1
1 403 . 15 1 1 A 40 40 GLU CA C 40 60.065 59.474 0.591 1
1 404 . 15 1 1 A 40 40 GLU CB C 40 29.094 29.319 -0.225 1
1 406 . 15 1 1 A 40 40 GLU N N 40 116.909 117.560 -0.651 1
1 407 . 15 1 1 A 41 41 LYS H H 41 7.660 8.054 -0.394 1
1 408 . 15 1 1 A 41 41 LYS HA H 41 4.293 4.077 0.216 1
1 416 . 15 1 1 A 41 41 LYS C C 41 176.854 179.206 -2.352 1
1 417 . 15 1 1 A 41 41 LYS CA C 41 59.908 59.271 0.637 1
1 418 . 15 1 1 A 41 41 LYS CB C 41 33.704 32.315 1.389 1
1 422 . 15 1 1 A 41 41 LYS N N 41 120.497 118.761 1.736 1
1 423 . 15 1 1 A 42 42 ILE H H 42 8.050 8.077 -0.027 1
1 424 . 15 1 1 A 42 42 ILE HA H 42 3.756 3.530 0.226 1
1 434 . 15 1 1 A 42 42 ILE C C 42 177.607 177.783 -0.176 1
1 435 . 15 1 1 A 42 42 ILE CA C 42 65.460 64.994 0.466 1
1 436 . 15 1 1 A 42 42 ILE CB C 42 38.516 37.431 1.085 1
1 440 . 15 1 1 A 42 42 ILE N N 42 119.276 120.533 -1.257 1
1 441 . 15 1 1 A 43 43 GLU H H 43 8.142 8.613 -0.471 1
1 442 . 15 1 1 A 43 43 GLU HA H 43 4.011 4.011 0.000 1
1 447 . 15 1 1 A 43 43 GLU C C 43 179.477 178.877 0.600 1
1 448 . 15 1 1 A 43 43 GLU CA C 43 59.340 59.327 0.013 1
1 449 . 15 1 1 A 43 43 GLU CB C 43 29.425 29.212 0.213 1
1 451 . 15 1 1 A 43 43 GLU N N 43 116.432 120.553 -4.121 1
1 452 . 15 1 1 A 44 44 ALA H H 44 8.053 8.029 0.024 1
1 453 . 15 1 1 A 44 44 ALA HA H 44 4.217 4.188 0.029 1
1 457 . 15 1 1 A 44 44 ALA C C 44 180.958 179.117 1.841 1
1 458 . 15 1 1 A 44 44 ALA CA C 44 55.453 54.847 0.606 1
1 459 . 15 1 1 A 44 44 ALA CB C 44 18.553 19.293 -0.740 1
1 460 . 15 1 1 A 44 44 ALA N N 44 122.819 122.813 0.006 1
1 461 . 15 1 1 A 45 45 VAL H H 45 8.400 7.277 1.123 1
1 462 . 15 1 1 A 45 45 VAL HA H 45 3.530 3.653 -0.123 1
1 470 . 15 1 1 A 45 45 VAL C C 45 176.465 177.157 -0.692 1
1 471 . 15 1 1 A 45 45 VAL CA C 45 65.075 64.763 0.312 1
1 472 . 15 1 1 A 45 45 VAL CB C 45 29.673 30.948 -1.275 1
1 475 . 15 1 1 A 45 45 VAL N N 45 120.862 116.836 4.026 1
1 476 . 15 1 1 A 46 46 ALA H H 46 8.225 7.884 0.341 1
1 477 . 15 1 1 A 46 46 ALA HA H 46 3.787 4.040 -0.253 1
1 481 . 15 1 1 A 46 46 ALA C C 46 180.205 179.563 0.642 1
1 482 . 15 1 1 A 46 46 ALA CA C 46 55.753 55.231 0.522 1
1 483 . 15 1 1 A 46 46 ALA CB C 46 18.516 18.548 -0.032 1
1 484 . 15 1 1 A 46 46 ALA N N 46 125.827 123.893 1.934 1
1 485 . 15 1 1 A 47 47 THR H H 47 7.850 7.498 0.352 1
1 486 . 15 1 1 A 47 47 THR HA H 47 4.084 4.007 0.077 1
1 491 . 15 1 1 A 47 47 THR C C 47 177.339 176.342 0.997 1
1 492 . 15 1 1 A 47 47 THR CA C 47 66.492 64.753 1.739 1
1 493 . 15 1 1 A 47 47 THR CB C 47 68.772 68.978 -0.206 1
1 495 . 15 1 1 A 47 47 THR N N 47 113.467 112.434 1.033 1
1 496 . 15 1 1 A 48 48 GLU H H 48 8.050 8.192 -0.142 1
1 497 . 15 1 1 A 48 48 GLU HA H 48 4.001 4.073 -0.072 1
1 502 . 15 1 1 A 48 48 GLU C C 48 178.457 178.524 -0.067 1
1 503 . 15 1 1 A 48 48 GLU CA C 48 60.174 58.587 1.587 1
1 504 . 15 1 1 A 48 48 GLU CB C 48 29.719 29.673 0.046 1
1 506 . 15 1 1 A 48 48 GLU N N 48 123.295 120.792 2.503 1
1 507 . 15 1 1 A 49 49 LEU H H 49 8.198 7.577 0.621 1
1 508 . 15 1 1 A 49 49 LEU HA H 49 4.215 4.260 -0.045 1
1 518 . 15 1 1 A 49 49 LEU C C 49 176.344 175.992 0.352 1
1 519 . 15 1 1 A 49 49 LEU CA C 49 55.050 54.866 0.184 1
1 520 . 15 1 1 A 49 49 LEU CB C 49 42.861 42.047 0.814 1
1 524 . 15 1 1 A 49 49 LEU N N 49 115.963 118.029 -2.066 1
1 525 . 15 1 1 A 50 50 ASN H H 50 8.008 8.018 -0.010 1
1 526 . 15 1 1 A 50 50 ASN HA H 50 4.411 4.309 0.102 1
1 531 . 15 1 1 A 50 50 ASN C C 50 174.522 173.669 0.853 1
1 532 . 15 1 1 A 50 50 ASN CA C 50 54.159 54.550 -0.391 1
1 533 . 15 1 1 A 50 50 ASN CB C 50 37.446 36.645 0.801 1
1 534 . 15 1 1 A 50 50 ASN N N 50 118.398 115.309 3.089 1
1 536 . 15 1 1 A 51 51 VAL H H 51 8.240 7.920 0.320 1
1 537 . 15 1 1 A 51 51 VAL HA H 51 4.792 4.862 -0.070 1
1 545 . 15 1 1 A 51 51 VAL C C 51 174.619 174.509 0.110 1
1 546 . 15 1 1 A 51 51 VAL CA C 51 58.674 58.592 0.082 1
1 547 . 15 1 1 A 51 51 VAL CB C 51 36.102 35.308 0.794 1
1 550 . 15 1 1 A 51 51 VAL N N 51 110.142 111.442 -1.300 1
1 551 . 15 1 1 A 52 52 ASP H H 52 8.164 8.699 -0.535 1
1 552 . 15 1 1 A 52 52 ASP HA H 52 4.597 4.471 0.126 1
1 555 . 15 1 1 A 52 52 ASP C C 52 178.262 177.356 0.906 1
1 556 . 15 1 1 A 52 52 ASP CA C 52 54.423 54.816 -0.393 1
1 557 . 15 1 1 A 52 52 ASP CB C 52 43.200 42.138 1.062 1
1 558 . 15 1 1 A 52 52 ASP N N 52 120.019 124.260 -4.241 1
1 559 . 15 1 1 A 53 53 CYS H H 53 8.967 8.980 -0.013 1
1 560 . 15 1 1 A 53 53 CYS HA H 53 3.862 4.011 -0.149 1
1 563 . 15 1 1 A 53 53 CYS C C 53 176.975 177.044 -0.069 1
1 564 . 15 1 1 A 53 53 CYS CA C 53 63.438 62.692 0.746 1
1 565 . 15 1 1 A 53 53 CYS CB C 53 27.358 26.957 0.401 1
1 566 . 15 1 1 A 53 53 CYS N N 53 122.121 125.025 -2.904 1
1 567 . 15 1 1 A 54 54 GLU H H 54 9.357 8.417 0.940 1
1 568 . 15 1 1 A 54 54 GLU HA H 54 4.083 3.976 0.107 1
1 573 . 15 1 1 A 54 54 GLU C C 54 179.064 178.823 0.241 1
1 574 . 15 1 1 A 54 54 GLU CA C 54 59.626 59.645 -0.019 1
1 575 . 15 1 1 A 54 54 GLU CB C 54 29.178 29.367 -0.189 1
1 577 . 15 1 1 A 54 54 GLU N N 54 120.121 120.006 0.115 1
1 578 . 15 1 1 A 55 55 ILE H H 55 7.650 8.005 -0.355 1
1 579 . 15 1 1 A 55 55 ILE HA H 55 4.005 3.872 0.133 1
1 589 . 15 1 1 A 55 55 ILE C C 55 179.331 178.345 0.986 1
1 590 . 15 1 1 A 55 55 ILE CA C 55 63.558 65.247 -1.689 1
1 591 . 15 1 1 A 55 55 ILE CB C 55 36.988 37.989 -1.001 1
1 595 . 15 1 1 A 55 55 ILE N N 55 119.061 120.626 -1.565 1
1 596 . 15 1 1 A 56 56 VAL H H 56 6.973 7.903 -0.930 1
1 597 . 15 1 1 A 56 56 VAL HA H 56 3.651 3.909 -0.258 1
1 605 . 15 1 1 A 56 56 VAL C C 56 177.874 177.991 -0.117 1
1 606 . 15 1 1 A 56 56 VAL CA C 56 66.847 65.971 0.876 1
1 607 . 15 1 1 A 56 56 VAL CB C 56 31.486 31.754 -0.268 1
1 610 . 15 1 1 A 56 56 VAL N N 56 121.206 121.375 -0.169 1
1 611 . 15 1 1 A 57 57 ARG H H 57 8.508 8.490 0.018 1
1 612 . 15 1 1 A 57 57 ARG HA H 57 3.928 4.059 -0.131 1
1 618 . 15 1 1 A 57 57 ARG C C 57 179.282 178.701 0.581 1
1 619 . 15 1 1 A 57 57 ARG CA C 57 61.095 59.265 1.830 1
1 620 . 15 1 1 A 57 57 ARG CB C 57 30.261 30.146 0.115 1
1 623 . 15 1 1 A 57 57 ARG N N 57 118.801 120.606 -1.805 1
1 624 . 15 1 1 A 58 58 THR H H 58 8.528 8.319 0.209 1
1 625 . 15 1 1 A 58 58 THR HA H 58 4.013 4.010 0.003 1
1 630 . 15 1 1 A 58 58 THR C C 58 175.518 176.258 -0.740 1
1 631 . 15 1 1 A 58 58 THR CA C 58 66.879 66.489 0.390 1
1 632 . 15 1 1 A 58 58 THR CB C 58 68.826 68.389 0.437 1
1 634 . 15 1 1 A 58 58 THR N N 58 117.805 115.843 1.962 1
1 635 . 15 1 1 A 59 59 TRP H H 59 7.904 8.149 -0.245 1
1 636 . 15 1 1 A 59 59 TRP HA H 59 4.228 4.362 -0.134 1
1 645 . 15 1 1 A 59 59 TRP C C 59 179.015 178.503 0.512 1
1 646 . 15 1 1 A 59 59 TRP CA C 59 63.377 61.484 1.893 1
1 647 . 15 1 1 A 59 59 TRP CB C 59 28.280 29.817 -1.537 1
1 653 . 15 1 1 A 59 59 TRP N N 59 124.326 123.511 0.815 1
1 655 . 15 1 1 A 60 60 ILE H H 60 8.799 8.525 0.274 1
1 656 . 15 1 1 A 60 60 ILE HA H 60 3.461 3.530 -0.069 1
1 666 . 15 1 1 A 60 60 ILE C C 60 178.481 177.891 0.590 1
1 667 . 15 1 1 A 60 60 ILE CA C 60 65.878 65.126 0.752 1
1 668 . 15 1 1 A 60 60 ILE CB C 60 39.399 38.155 1.244 1
1 672 . 15 1 1 A 60 60 ILE N N 60 119.831 119.580 0.251 1
1 673 . 15 1 1 A 61 61 GLY H H 61 8.659 7.833 0.826 1
1 674 . 15 1 1 A 61 61 GLY HA2 H 61 3.705 3.780 -0.075 1
1 675 . 15 1 1 A 61 61 GLY HA3 H 61 4.118 3.790 0.328 1
1 676 . 15 1 1 A 61 61 GLY C C 61 176.878 175.972 0.906 1
1 677 . 15 1 1 A 61 61 GLY CA C 61 47.388 47.351 0.037 1
1 678 . 15 1 1 A 61 61 GLY N N 61 106.205 108.066 -1.861 1
1 679 . 15 1 1 A 62 62 ASN H H 62 8.408 7.785 0.623 1
1 680 . 15 1 1 A 62 62 ASN HA H 62 4.452 4.363 0.089 1
1 685 . 15 1 1 A 62 62 ASN C C 62 177.461 178.263 -0.802 1
1 686 . 15 1 1 A 62 62 ASN CA C 62 55.480 55.848 -0.368 1
1 687 . 15 1 1 A 62 62 ASN CB C 62 37.951 37.868 0.083 1
1 688 . 15 1 1 A 62 62 ASN N N 62 120.644 119.915 0.729 1
1 690 . 15 1 1 A 63 63 ARG H H 63 7.816 7.722 0.094 1
1 691 . 15 1 1 A 63 63 ARG HA H 63 3.544 3.839 -0.295 1
1 698 . 15 1 1 A 63 63 ARG C C 63 178.189 179.169 -0.980 1
1 699 . 15 1 1 A 63 63 ARG CA C 63 59.219 59.632 -0.413 1
1 700 . 15 1 1 A 63 63 ARG CB C 63 29.077 29.775 -0.698 1
1 703 . 15 1 1 A 63 63 ARG N N 63 124.207 119.755 4.452 1
1 704 . 15 1 1 A 64 64 ARG H H 64 8.578 8.357 0.221 1
1 705 . 15 1 1 A 64 64 ARG HA H 64 4.057 4.186 -0.129 1
1 712 . 15 1 1 A 64 64 ARG C C 64 179.039 178.833 0.206 1
1 713 . 15 1 1 A 64 64 ARG CA C 64 60.190 60.031 0.159 1
1 714 . 15 1 1 A 64 64 ARG CB C 64 30.579 30.035 0.544 1
1 717 . 15 1 1 A 64 64 ARG N N 64 117.839 119.688 -1.849 1
1 718 . 15 1 1 A 65 65 ARG H H 65 7.712 7.470 0.242 1
1 719 . 15 1 1 A 65 65 ARG HA H 65 4.091 4.018 0.073 1
1 726 . 15 1 1 A 65 65 ARG C C 65 178.214 178.355 -0.141 1
1 727 . 15 1 1 A 65 65 ARG CA C 65 59.556 59.314 0.242 1
1 728 . 15 1 1 A 65 65 ARG CB C 65 30.167 30.041 0.126 1
1 731 . 15 1 1 A 65 65 ARG N N 65 118.827 119.642 -0.815 1
1 732 . 15 1 1 A 66 66 LYS H H 66 7.848 7.725 0.123 1
1 733 . 15 1 1 A 66 66 LYS HA H 66 3.997 3.951 0.046 1
1 741 . 15 1 1 A 66 66 LYS C C 66 178.481 178.296 0.185 1
1 742 . 15 1 1 A 66 66 LYS CA C 66 59.110 59.284 -0.174 1
1 743 . 15 1 1 A 66 66 LYS CB C 66 32.226 32.018 0.208 1
1 747 . 15 1 1 A 66 66 LYS N N 66 120.251 119.230 1.021 1
1 748 . 15 1 1 A 67 67 TYR H H 67 8.324 7.969 0.355 1
1 749 . 15 1 1 A 67 67 TYR HA H 67 4.274 4.221 0.053 1
1 756 . 15 1 1 A 67 67 TYR C C 67 177.412 178.220 -0.808 1
1 757 . 15 1 1 A 67 67 TYR CA C 67 60.576 60.773 -0.197 1
1 758 . 15 1 1 A 67 67 TYR CB C 67 37.043 37.828 -0.785 1
1 763 . 15 1 1 A 67 67 TYR N N 67 118.725 118.991 -0.266 1
1 764 . 15 1 1 A 68 68 ARG H H 68 8.084 8.262 -0.178 1
1 765 . 15 1 1 A 68 68 ARG HA H 68 4.218 4.077 0.141 1
1 772 . 15 1 1 A 68 68 ARG C C 68 179.209 178.150 1.059 1
1 773 . 15 1 1 A 68 68 ARG CA C 68 58.616 59.426 -0.810 1
1 774 . 15 1 1 A 68 68 ARG CB C 68 29.343 30.125 -0.782 1
1 777 . 15 1 1 A 68 68 ARG N N 68 119.763 120.627 -0.864 1
1 778 . 15 1 1 A 69 69 LEU H H 69 8.168 8.478 -0.310 1
1 779 . 15 1 1 A 69 69 LEU HA H 69 4.244 3.999 0.245 1
1 789 . 15 1 1 A 69 69 LEU C C 69 178.457 179.066 -0.609 1
1 790 . 15 1 1 A 69 69 LEU CA C 69 56.981 57.854 -0.873 1
1 791 . 15 1 1 A 69 69 LEU CB C 69 41.955 41.609 0.346 1
1 795 . 15 1 1 A 69 69 LEU N N 69 120.874 119.918 0.956 1
1 796 . 15 1 1 A 70 70 MET H H 70 7.942 7.890 0.052 1
1 797 . 15 1 1 A 70 70 MET HA H 70 4.440 4.442 -0.002 1
1 805 . 15 1 1 A 70 70 MET C C 70 176.417 176.794 -0.377 1
1 806 . 15 1 1 A 70 70 MET CA C 70 55.958 55.916 0.042 1
1 807 . 15 1 1 A 70 70 MET CB C 70 33.711 32.795 0.916 1
1 810 . 15 1 1 A 70 70 MET N N 70 117.335 115.204 2.131 1
1 811 . 15 1 1 A 71 71 GLY H H 71 8.107 8.039 0.068 1
1 812 . 15 1 1 A 71 71 GLY HA2 H 71 3.906 3.973 -0.067 1
1 813 . 15 1 1 A 71 71 GLY HA3 H 71 4.055 3.980 0.075 1
1 814 . 15 1 1 A 71 71 GLY C C 71 174.255 174.734 -0.479 1
1 815 . 15 1 1 A 71 71 GLY CA C 71 45.852 46.187 -0.335 1
1 816 . 15 1 1 A 71 71 GLY N N 71 109.096 106.649 2.447 1
1 817 . 15 1 1 A 72 72 ILE H H 72 8.036 8.050 -0.014 1
1 818 . 15 1 1 A 72 72 ILE HA H 72 4.197 4.040 0.157 1
1 828 . 15 1 1 A 72 72 ILE C C 72 175.712 175.724 -0.012 1
1 829 . 15 1 1 A 72 72 ILE CA C 72 60.626 60.764 -0.138 1
1 830 . 15 1 1 A 72 72 ILE CB C 72 39.203 38.020 1.183 1
1 834 . 15 1 1 A 72 72 ILE N N 72 120.615 120.955 -0.340 1
1 835 . 15 1 1 A 73 73 GLU H H 73 8.523 8.569 -0.046 1
1 836 . 15 1 1 A 73 73 GLU HA H 73 4.306 4.424 -0.118 1
1 841 . 15 1 1 A 73 73 GLU C C 73 176.417 176.393 0.024 1
1 842 . 15 1 1 A 73 73 GLU CA C 73 56.551 55.607 0.944 1
1 843 . 15 1 1 A 73 73 GLU CB C 73 30.167 29.203 0.964 1
1 845 . 15 1 1 A 73 73 GLU N N 73 125.837 126.859 -1.022 1
1 846 . 15 1 1 A 74 74 VAL H H 74 8.319 8.368 -0.049 1
1 847 . 15 1 1 A 74 74 VAL HA H 74 4.187 4.417 -0.230 1
1 855 . 15 1 1 A 74 74 VAL C C 74 176.052 177.510 -1.458 1
1 856 . 15 1 1 A 74 74 VAL CA C 74 62.103 63.710 -1.607 1
1 857 . 15 1 1 A 74 74 VAL CB C 74 33.063 33.947 -0.884 1
1 860 . 15 1 1 A 74 74 VAL N N 74 122.642 126.994 -4.352 1
1 861 . 15 1 1 A 75 75 SER H H 75 8.460 8.135 0.325 1
1 862 . 15 1 1 A 75 75 SER HA H 75 4.469 4.231 0.238 1
1 865 . 15 1 1 A 75 75 SER C C 75 174.547 174.387 0.160 1
1 866 . 15 1 1 A 75 75 SER CA C 75 58.413 59.957 -1.544 1
1 867 . 15 1 1 A 75 75 SER CB C 75 64.015 63.973 0.042 1
1 868 . 15 1 1 A 75 75 SER N N 75 120.411 115.321 5.090 1
1 869 . 15 1 1 A 76 76 GLY H H 76 8.307 7.310 0.997 1
1 870 . 15 1 1 A 76 76 GLY HA2 H 76 4.096 4.026 0.070 1
1 871 . 15 1 1 A 76 76 GLY C C 76 171.729 172.091 -0.362 1
1 872 . 15 1 1 A 76 76 GLY CA C 76 44.566 44.505 0.061 1
1 873 . 15 1 1 A 76 76 GLY N N 76 110.975 107.457 3.518 1
1 874 . 15 1 1 A 77 77 PRO HA H 77 4.508 5.011 -0.503 1
1 880 . 15 1 1 A 77 77 PRO CA C 77 63.054 62.677 0.377 1
1 881 . 15 1 1 A 77 77 PRO CB C 77 32.299 32.675 -0.376 1
1 884 . 15 1 1 A 79 79 SER HA H 79 4.507 4.279 0.228 1
1 887 . 15 1 1 A 79 79 SER C C 79 173.939 175.099 -1.160 1
1 888 . 15 1 1 A 79 79 SER CA C 79 58.427 59.465 -1.038 1
1 889 . 15 1 1 A 79 79 SER CB C 79 64.293 63.449 0.844 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.969 4.208 -0.239 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.969 4.209 -0.240 1
1 3 . 16 1 1 A 7 7 GLY C C 7 173.939 172.584 1.355 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.342 45.725 -0.383 1
1 5 . 16 1 1 A 8 8 ALA H H 8 8.128 8.365 -0.237 1
1 6 . 16 1 1 A 8 8 ALA HA H 8 4.329 4.289 0.040 1
1 10 . 16 1 1 A 8 8 ALA C C 8 177.971 176.211 1.760 1
1 11 . 16 1 1 A 8 8 ALA CA C 8 52.565 51.557 1.008 1
1 12 . 16 1 1 A 8 8 ALA CB C 8 19.287 17.426 1.861 1
1 13 . 16 1 1 A 8 8 ALA N N 8 123.703 124.955 -1.252 1
1 14 . 16 1 1 A 9 9 LEU H H 9 8.240 8.300 -0.060 1
1 15 . 16 1 1 A 9 9 LEU HA H 9 4.304 4.714 -0.410 1
1 25 . 16 1 1 A 9 9 LEU C C 9 177.655 176.395 1.260 1
1 26 . 16 1 1 A 9 9 LEU CA C 9 55.570 53.433 2.137 1
1 27 . 16 1 1 A 9 9 LEU CB C 9 42.202 43.020 -0.818 1
1 31 . 16 1 1 A 9 9 LEU N N 9 121.161 122.300 -1.139 1
1 32 . 16 1 1 A 10 10 GLN H H 10 8.305 8.615 -0.310 1
1 33 . 16 1 1 A 10 10 GLN HA H 10 4.313 4.281 0.032 1
1 40 . 16 1 1 A 10 10 GLN C C 10 175.737 174.318 1.419 1
1 41 . 16 1 1 A 10 10 GLN CA C 10 56.099 56.409 -0.310 1
1 42 . 16 1 1 A 10 10 GLN CB C 10 29.425 29.005 0.420 1
1 44 . 16 1 1 A 10 10 GLN N N 10 120.538 125.149 -4.611 1
1 46 . 16 1 1 A 11 11 ASP H H 11 8.306 8.510 -0.204 1
1 47 . 16 1 1 A 11 11 ASP HA H 11 4.589 5.000 -0.411 1
1 50 . 16 1 1 A 11 11 ASP C C 11 176.319 174.423 1.896 1
1 51 . 16 1 1 A 11 11 ASP CA C 11 54.583 52.902 1.681 1
1 52 . 16 1 1 A 11 11 ASP CB C 11 41.204 44.761 -3.557 1
1 53 . 16 1 1 A 11 11 ASP N N 11 121.418 124.644 -3.226 1
1 54 . 16 1 1 A 12 12 ARG H H 12 8.257 8.221 0.036 1
1 55 . 16 1 1 A 12 12 ARG HA H 12 4.408 4.650 -0.242 1
1 62 . 16 1 1 A 12 12 ARG C C 12 176.295 174.987 1.308 1
1 63 . 16 1 1 A 12 12 ARG CA C 12 56.088 55.131 0.957 1
1 64 . 16 1 1 A 12 12 ARG CB C 12 30.579 31.147 -0.568 1
1 67 . 16 1 1 A 12 12 ARG N N 12 121.271 119.297 1.974 1
1 68 . 16 1 1 A 13 13 THR H H 13 8.189 8.390 -0.201 1
1 69 . 16 1 1 A 13 13 THR HA H 13 4.193 4.953 -0.760 1
1 74 . 16 1 1 A 13 13 THR C C 13 174.121 172.877 1.244 1
1 75 . 16 1 1 A 13 13 THR CA C 13 62.448 60.544 1.904 1
1 76 . 16 1 1 A 13 13 THR CB C 13 69.697 70.001 -0.304 1
1 78 . 16 1 1 A 13 13 THR N N 13 114.810 110.839 3.971 1
1 79 . 16 1 1 A 14 14 GLN H H 14 8.130 8.649 -0.519 1
1 80 . 16 1 1 A 14 14 GLN HA H 14 4.314 4.688 -0.374 1
1 87 . 16 1 1 A 14 14 GLN C C 14 175.275 174.547 0.728 1
1 88 . 16 1 1 A 14 14 GLN CA C 14 55.253 55.431 -0.178 1
1 89 . 16 1 1 A 14 14 GLN CB C 14 29.838 29.585 0.253 1
1 91 . 16 1 1 A 14 14 GLN N N 14 122.533 126.929 -4.396 1
1 93 . 16 1 1 A 15 15 PHE H H 15 8.151 8.953 -0.802 1
1 94 . 16 1 1 A 15 15 PHE HA H 15 5.009 4.892 0.117 1
1 102 . 16 1 1 A 15 15 PHE C C 15 176.465 175.596 0.869 1
1 103 . 16 1 1 A 15 15 PHE CA C 15 57.157 57.524 -0.367 1
1 104 . 16 1 1 A 15 15 PHE CB C 15 40.996 41.477 -0.481 1
1 110 . 16 1 1 A 15 15 PHE N N 15 120.835 123.329 -2.494 1
1 111 . 16 1 1 A 16 16 SER H H 16 9.565 8.937 0.628 1
1 112 . 16 1 1 A 16 16 SER HA H 16 4.610 4.904 -0.294 1
1 115 . 16 1 1 A 16 16 SER C C 16 174.547 175.038 -0.491 1
1 116 . 16 1 1 A 16 16 SER CA C 16 56.946 57.405 -0.459 1
1 117 . 16 1 1 A 16 16 SER CB C 16 65.545 65.642 -0.097 1
1 118 . 16 1 1 A 16 16 SER N N 16 119.442 117.657 1.785 1
1 119 . 16 1 1 A 17 17 ASP H H 17 8.947 9.178 -0.231 1
1 120 . 16 1 1 A 17 17 ASP HA H 17 4.386 4.253 0.133 1
1 123 . 16 1 1 A 17 17 ASP C C 17 179.331 177.927 1.404 1
1 124 . 16 1 1 A 17 17 ASP CA C 17 58.074 57.972 0.102 1
1 125 . 16 1 1 A 17 17 ASP CB C 17 39.875 40.832 -0.957 1
1 126 . 16 1 1 A 17 17 ASP N N 17 120.645 125.915 -5.270 1
1 127 . 16 1 1 A 18 18 ARG H H 18 8.302 8.131 0.171 1
1 128 . 16 1 1 A 18 18 ARG HA H 18 4.098 3.968 0.130 1
1 135 . 16 1 1 A 18 18 ARG C C 18 178.699 178.529 0.170 1
1 136 . 16 1 1 A 18 18 ARG CA C 18 59.203 59.541 -0.338 1
1 137 . 16 1 1 A 18 18 ARG CB C 18 29.920 30.122 -0.202 1
1 140 . 16 1 1 A 18 18 ARG N N 18 121.398 119.475 1.923 1
1 141 . 16 1 1 A 19 19 ASP H H 19 7.853 8.211 -0.358 1
1 142 . 16 1 1 A 19 19 ASP HA H 19 4.151 4.294 -0.143 1
1 145 . 16 1 1 A 19 19 ASP C C 19 178.384 178.838 -0.454 1
1 146 . 16 1 1 A 19 19 ASP CA C 19 57.348 57.150 0.198 1
1 147 . 16 1 1 A 19 19 ASP CB C 19 40.392 40.450 -0.058 1
1 148 . 16 1 1 A 19 19 ASP N N 19 122.636 119.301 3.335 1
1 149 . 16 1 1 A 20 20 LEU H H 20 8.335 8.398 -0.063 1
1 150 . 16 1 1 A 20 20 LEU HA H 20 3.635 3.567 0.068 1
1 160 . 16 1 1 A 20 20 LEU C C 20 179.234 178.472 0.762 1
1 161 . 16 1 1 A 20 20 LEU CA C 20 57.587 57.749 -0.162 1
1 162 . 16 1 1 A 20 20 LEU CB C 20 41.658 41.423 0.235 1
1 166 . 16 1 1 A 20 20 LEU N N 20 118.845 120.110 -1.265 1
1 167 . 16 1 1 A 21 21 ALA H H 21 7.905 8.583 -0.678 1
1 168 . 16 1 1 A 21 21 ALA HA H 21 4.123 4.029 0.094 1
1 172 . 16 1 1 A 21 21 ALA C C 21 181.031 179.754 1.277 1
1 173 . 16 1 1 A 21 21 ALA CA C 21 55.103 55.468 -0.365 1
1 174 . 16 1 1 A 21 21 ALA CB C 21 17.709 18.630 -0.921 1
1 175 . 16 1 1 A 21 21 ALA N N 21 122.007 120.460 1.547 1
1 176 . 16 1 1 A 22 22 THR H H 22 7.886 7.616 0.270 1
1 177 . 16 1 1 A 22 22 THR HA H 22 3.954 3.850 0.104 1
1 182 . 16 1 1 A 22 22 THR C C 22 175.834 176.312 -0.478 1
1 183 . 16 1 1 A 22 22 THR CA C 22 67.081 67.371 -0.290 1
1 184 . 16 1 1 A 22 22 THR CB C 22 68.253 68.651 -0.398 1
1 186 . 16 1 1 A 22 22 THR N N 22 119.042 114.050 4.992 1
1 187 . 16 1 1 A 23 23 LEU H H 23 8.036 8.209 -0.173 1
1 188 . 16 1 1 A 23 23 LEU HA H 23 3.404 3.803 -0.399 1
1 198 . 16 1 1 A 23 23 LEU C C 23 178.335 178.670 -0.335 1
1 199 . 16 1 1 A 23 23 LEU CA C 23 59.230 58.113 1.117 1
1 200 . 16 1 1 A 23 23 LEU CB C 23 39.399 41.210 -1.811 1
1 204 . 16 1 1 A 23 23 LEU N N 23 123.450 120.534 2.916 1
1 205 . 16 1 1 A 24 24 LYS H H 24 8.166 8.162 0.004 1
1 206 . 16 1 1 A 24 24 LYS HA H 24 4.074 4.094 -0.020 1
1 215 . 16 1 1 A 24 24 LYS C C 24 177.631 179.303 -1.672 1
1 216 . 16 1 1 A 24 24 LYS CA C 24 60.367 60.162 0.205 1
1 217 . 16 1 1 A 24 24 LYS CB C 24 32.554 32.373 0.181 1
1 221 . 16 1 1 A 24 24 LYS N N 24 117.974 116.994 0.980 1
1 222 . 16 1 1 A 25 25 LYS H H 25 7.837 7.816 0.021 1
1 223 . 16 1 1 A 25 25 LYS HA H 25 4.205 4.011 0.194 1
1 232 . 16 1 1 A 25 25 LYS C C 25 179.695 178.739 0.956 1
1 233 . 16 1 1 A 25 25 LYS CA C 25 59.704 59.171 0.533 1
1 234 . 16 1 1 A 25 25 LYS CB C 25 31.816 32.304 -0.488 1
1 238 . 16 1 1 A 25 25 LYS N N 25 120.567 120.478 0.089 1
1 239 . 16 1 1 A 26 26 TYR H H 26 8.158 7.942 0.216 1
1 240 . 16 1 1 A 26 26 TYR HA H 26 4.089 4.213 -0.124 1
1 247 . 16 1 1 A 26 26 TYR C C 26 180.035 178.851 1.184 1
1 248 . 16 1 1 A 26 26 TYR CA C 26 63.104 60.172 2.932 1
1 249 . 16 1 1 A 26 26 TYR CB C 26 36.926 37.717 -0.791 1
1 254 . 16 1 1 A 26 26 TYR N N 26 118.591 118.431 0.160 1
1 255 . 16 1 1 A 27 27 TRP H H 27 9.294 8.198 1.096 1
1 256 . 16 1 1 A 27 27 TRP HA H 27 4.349 4.394 -0.045 1
1 265 . 16 1 1 A 27 27 TRP C C 27 179.209 178.599 0.610 1
1 266 . 16 1 1 A 27 27 TRP CA C 27 61.357 60.635 0.722 1
1 267 . 16 1 1 A 27 27 TRP CB C 27 28.481 29.924 -1.443 1
1 273 . 16 1 1 A 27 27 TRP N N 27 125.036 122.340 2.696 1
1 275 . 16 1 1 A 28 28 ASP H H 28 9.354 8.120 1.234 1
1 276 . 16 1 1 A 28 28 ASP HA H 28 4.479 4.743 -0.264 1
1 279 . 16 1 1 A 28 28 ASP C C 28 176.999 177.010 -0.011 1
1 280 . 16 1 1 A 28 28 ASP CA C 28 57.024 55.744 1.280 1
1 281 . 16 1 1 A 28 28 ASP CB C 28 39.894 40.747 -0.853 1
1 282 . 16 1 1 A 28 28 ASP N N 28 121.650 119.085 2.565 1
1 283 . 16 1 1 A 29 29 ASN H H 29 7.569 8.400 -0.831 1
1 284 . 16 1 1 A 29 29 ASN HA H 29 4.905 4.959 -0.054 1
1 289 . 16 1 1 A 29 29 ASN C C 29 174.935 175.441 -0.506 1
1 290 . 16 1 1 A 29 29 ASN CA C 29 52.819 52.503 0.316 1
1 291 . 16 1 1 A 29 29 ASN CB C 29 39.320 38.740 0.580 1
1 292 . 16 1 1 A 29 29 ASN N N 29 116.912 117.267 -0.355 1
1 294 . 16 1 1 A 30 30 GLY H H 30 7.695 7.613 0.082 1
1 295 . 16 1 1 A 30 30 GLY HA2 H 30 3.603 3.851 -0.248 1
1 296 . 16 1 1 A 30 30 GLY HA3 H 30 4.489 3.915 0.574 1
1 297 . 16 1 1 A 30 30 GLY C C 30 174.571 174.374 0.197 1
1 298 . 16 1 1 A 30 30 GLY CA C 30 45.332 45.539 -0.207 1
1 299 . 16 1 1 A 30 30 GLY N N 30 105.356 108.119 -2.763 1
1 300 . 16 1 1 A 31 31 MET H H 31 8.574 7.667 0.907 1
1 301 . 16 1 1 A 31 31 MET HA H 31 4.769 4.447 0.322 1
1 309 . 16 1 1 A 31 31 MET C C 31 173.381 176.154 -2.773 1
1 310 . 16 1 1 A 31 31 MET CA C 31 54.301 54.133 0.168 1
1 311 . 16 1 1 A 31 31 MET CB C 31 31.899 31.153 0.746 1
1 314 . 16 1 1 A 31 31 MET N N 31 125.209 121.057 4.152 1
1 315 . 16 1 1 A 32 32 THR H H 32 7.284 7.443 -0.159 1
1 316 . 16 1 1 A 32 32 THR HA H 32 4.003 3.714 0.289 1
1 321 . 16 1 1 A 32 32 THR C C 32 173.721 174.200 -0.479 1
1 322 . 16 1 1 A 32 32 THR CA C 32 59.873 63.173 -3.300 1
1 323 . 16 1 1 A 32 32 THR CB C 32 69.651 68.830 0.821 1
1 325 . 16 1 1 A 32 32 THR N N 32 108.409 114.726 -6.317 1
1 326 . 16 1 1 A 33 33 SER H H 33 7.809 7.836 -0.027 1
1 327 . 16 1 1 A 33 33 SER HA H 33 4.614 4.584 0.030 1
1 330 . 16 1 1 A 33 33 SER C C 33 171.608 173.628 -2.020 1
1 331 . 16 1 1 A 33 33 SER CA C 33 56.764 56.162 0.602 1
1 332 . 16 1 1 A 33 33 SER CB C 33 65.653 65.187 0.466 1
1 333 . 16 1 1 A 33 33 SER N N 33 115.742 117.038 -1.296 1
1 334 . 16 1 1 A 34 34 LEU H H 34 8.284 8.635 -0.351 1
1 335 . 16 1 1 A 34 34 LEU HA H 34 4.488 4.348 0.140 1
1 345 . 16 1 1 A 34 34 LEU C C 34 178.335 177.691 0.644 1
1 346 . 16 1 1 A 34 34 LEU CA C 34 54.583 56.486 -1.903 1
1 347 . 16 1 1 A 34 34 LEU CB C 34 41.872 42.195 -0.323 1
1 351 . 16 1 1 A 34 34 LEU N N 34 116.566 124.414 -7.848 1
1 352 . 16 1 1 A 35 35 GLY H H 35 8.159 8.057 0.102 1
1 353 . 16 1 1 A 35 35 GLY HA2 H 35 4.239 3.801 0.438 1
1 354 . 16 1 1 A 35 35 GLY HA3 H 35 3.949 3.805 0.144 1
1 355 . 16 1 1 A 35 35 GLY C C 35 175.299 175.083 0.216 1
1 356 . 16 1 1 A 35 35 GLY CA C 35 44.707 47.226 -2.519 1
1 357 . 16 1 1 A 35 35 GLY N N 35 106.688 107.782 -1.094 1
1 358 . 16 1 1 A 36 36 SER HA H 36 4.123 4.690 -0.567 1
1 360 . 16 1 1 A 36 36 SER CA C 36 61.785 59.971 1.814 1
1 361 . 16 1 1 A 36 36 SER CB C 36 62.793 65.221 -2.428 1
1 362 . 16 1 1 A 37 37 VAL HA H 37 4.155 3.877 0.278 1
1 370 . 16 1 1 A 37 37 VAL C C 37 177.048 177.343 -0.295 1
1 371 . 16 1 1 A 37 37 VAL CA C 37 64.423 65.150 -0.727 1
1 372 . 16 1 1 A 37 37 VAL CB C 37 31.486 31.128 0.358 1
1 375 . 16 1 1 A 38 38 CYS H H 38 7.746 8.070 -0.324 1
1 376 . 16 1 1 A 38 38 CYS HA H 38 4.787 4.161 0.626 1
1 379 . 16 1 1 A 38 38 CYS C C 38 174.522 177.379 -2.857 1
1 380 . 16 1 1 A 38 38 CYS CA C 38 59.344 63.034 -3.690 1
1 381 . 16 1 1 A 38 38 CYS CB C 38 29.261 27.093 2.168 1
1 382 . 16 1 1 A 38 38 CYS N N 38 116.501 119.777 -3.276 1
1 383 . 16 1 1 A 39 39 ARG H H 39 7.633 7.660 -0.027 1
1 384 . 16 1 1 A 39 39 ARG HA H 39 3.847 3.941 -0.094 1
1 390 . 16 1 1 A 39 39 ARG C C 39 177.315 179.020 -1.705 1
1 391 . 16 1 1 A 39 39 ARG CA C 39 60.952 59.320 1.632 1
1 392 . 16 1 1 A 39 39 ARG CB C 39 30.332 29.897 0.435 1
1 395 . 16 1 1 A 39 39 ARG N N 39 122.520 121.804 0.716 1
1 396 . 16 1 1 A 40 40 GLU H H 40 8.827 8.258 0.569 1
1 397 . 16 1 1 A 40 40 GLU HA H 40 4.070 3.994 0.076 1
1 402 . 16 1 1 A 40 40 GLU C C 40 179.719 179.055 0.664 1
1 403 . 16 1 1 A 40 40 GLU CA C 40 60.065 59.209 0.856 1
1 404 . 16 1 1 A 40 40 GLU CB C 40 29.094 29.091 0.003 1
1 406 . 16 1 1 A 40 40 GLU N N 40 116.909 117.820 -0.911 1
1 407 . 16 1 1 A 41 41 LYS H H 41 7.660 7.758 -0.098 1
1 408 . 16 1 1 A 41 41 LYS HA H 41 4.293 4.009 0.284 1
1 416 . 16 1 1 A 41 41 LYS C C 41 176.854 179.364 -2.510 1
1 417 . 16 1 1 A 41 41 LYS CA C 41 59.908 59.172 0.736 1
1 418 . 16 1 1 A 41 41 LYS CB C 41 33.704 32.372 1.332 1
1 422 . 16 1 1 A 41 41 LYS N N 41 120.497 119.099 1.398 1
1 423 . 16 1 1 A 42 42 ILE H H 42 8.050 7.982 0.068 1
1 424 . 16 1 1 A 42 42 ILE HA H 42 3.756 3.527 0.229 1
1 434 . 16 1 1 A 42 42 ILE C C 42 177.607 177.805 -0.198 1
1 435 . 16 1 1 A 42 42 ILE CA C 42 65.460 64.971 0.489 1
1 436 . 16 1 1 A 42 42 ILE CB C 42 38.516 37.434 1.082 1
1 440 . 16 1 1 A 42 42 ILE N N 42 119.276 120.535 -1.259 1
1 441 . 16 1 1 A 43 43 GLU H H 43 8.142 8.152 -0.010 1
1 442 . 16 1 1 A 43 43 GLU HA H 43 4.011 4.014 -0.003 1
1 447 . 16 1 1 A 43 43 GLU C C 43 179.477 178.771 0.706 1
1 448 . 16 1 1 A 43 43 GLU CA C 43 59.340 59.262 0.078 1
1 449 . 16 1 1 A 43 43 GLU CB C 43 29.425 29.233 0.192 1
1 451 . 16 1 1 A 43 43 GLU N N 43 116.432 120.641 -4.209 1
1 452 . 16 1 1 A 44 44 ALA H H 44 8.053 8.055 -0.002 1
1 453 . 16 1 1 A 44 44 ALA HA H 44 4.217 4.204 0.013 1
1 457 . 16 1 1 A 44 44 ALA C C 44 180.958 179.037 1.921 1
1 458 . 16 1 1 A 44 44 ALA CA C 44 55.453 54.685 0.768 1
1 459 . 16 1 1 A 44 44 ALA CB C 44 18.553 19.296 -0.743 1
1 460 . 16 1 1 A 44 44 ALA N N 44 122.819 122.928 -0.109 1
1 461 . 16 1 1 A 45 45 VAL H H 45 8.400 7.447 0.953 1
1 462 . 16 1 1 A 45 45 VAL HA H 45 3.530 3.776 -0.246 1
1 470 . 16 1 1 A 45 45 VAL C C 45 176.465 176.836 -0.371 1
1 471 . 16 1 1 A 45 45 VAL CA C 45 65.075 64.338 0.737 1
1 472 . 16 1 1 A 45 45 VAL CB C 45 29.673 31.007 -1.334 1
1 475 . 16 1 1 A 45 45 VAL N N 45 120.862 116.825 4.037 1
1 476 . 16 1 1 A 46 46 ALA H H 46 8.225 7.865 0.360 1
1 477 . 16 1 1 A 46 46 ALA HA H 46 3.787 4.114 -0.327 1
1 481 . 16 1 1 A 46 46 ALA C C 46 180.205 179.777 0.428 1
1 482 . 16 1 1 A 46 46 ALA CA C 46 55.753 54.891 0.862 1
1 483 . 16 1 1 A 46 46 ALA CB C 46 18.516 18.616 -0.100 1
1 484 . 16 1 1 A 46 46 ALA N N 46 125.827 123.558 2.269 1
1 485 . 16 1 1 A 47 47 THR H H 47 7.850 7.310 0.540 1
1 486 . 16 1 1 A 47 47 THR HA H 47 4.084 4.004 0.080 1
1 491 . 16 1 1 A 47 47 THR C C 47 177.339 176.505 0.834 1
1 492 . 16 1 1 A 47 47 THR CA C 47 66.492 64.756 1.736 1
1 493 . 16 1 1 A 47 47 THR CB C 47 68.772 68.991 -0.219 1
1 495 . 16 1 1 A 47 47 THR N N 47 113.467 112.568 0.899 1
1 496 . 16 1 1 A 48 48 GLU H H 48 8.050 8.191 -0.141 1
1 497 . 16 1 1 A 48 48 GLU HA H 48 4.001 4.096 -0.095 1
1 502 . 16 1 1 A 48 48 GLU C C 48 178.457 178.402 0.055 1
1 503 . 16 1 1 A 48 48 GLU CA C 48 60.174 58.509 1.665 1
1 504 . 16 1 1 A 48 48 GLU CB C 48 29.719 29.693 0.026 1
1 506 . 16 1 1 A 48 48 GLU N N 48 123.295 120.914 2.381 1
1 507 . 16 1 1 A 49 49 LEU H H 49 8.198 7.563 0.635 1
1 508 . 16 1 1 A 49 49 LEU HA H 49 4.215 4.274 -0.059 1
1 518 . 16 1 1 A 49 49 LEU C C 49 176.344 175.856 0.488 1
1 519 . 16 1 1 A 49 49 LEU CA C 49 55.050 54.859 0.191 1
1 520 . 16 1 1 A 49 49 LEU CB C 49 42.861 42.332 0.529 1
1 524 . 16 1 1 A 49 49 LEU N N 49 115.963 117.968 -2.005 1
1 525 . 16 1 1 A 50 50 ASN H H 50 8.008 7.797 0.211 1
1 526 . 16 1 1 A 50 50 ASN HA H 50 4.411 4.267 0.144 1
1 531 . 16 1 1 A 50 50 ASN C C 50 174.522 173.701 0.821 1
1 532 . 16 1 1 A 50 50 ASN CA C 50 54.159 54.461 -0.302 1
1 533 . 16 1 1 A 50 50 ASN CB C 50 37.446 36.722 0.724 1
1 534 . 16 1 1 A 50 50 ASN N N 50 118.398 115.478 2.920 1
1 536 . 16 1 1 A 51 51 VAL H H 51 8.240 7.579 0.661 1
1 537 . 16 1 1 A 51 51 VAL HA H 51 4.792 4.841 -0.049 1
1 545 . 16 1 1 A 51 51 VAL C C 51 174.619 174.595 0.024 1
1 546 . 16 1 1 A 51 51 VAL CA C 51 58.674 58.839 -0.165 1
1 547 . 16 1 1 A 51 51 VAL CB C 51 36.102 35.275 0.827 1
1 550 . 16 1 1 A 51 51 VAL N N 51 110.142 111.156 -1.014 1
1 551 . 16 1 1 A 52 52 ASP H H 52 8.164 8.676 -0.512 1
1 552 . 16 1 1 A 52 52 ASP HA H 52 4.597 4.383 0.214 1
1 555 . 16 1 1 A 52 52 ASP C C 52 178.262 177.363 0.899 1
1 556 . 16 1 1 A 52 52 ASP CA C 52 54.423 54.990 -0.567 1
1 557 . 16 1 1 A 52 52 ASP CB C 52 43.200 42.197 1.003 1
1 558 . 16 1 1 A 52 52 ASP N N 52 120.019 124.436 -4.417 1
1 559 . 16 1 1 A 53 53 CYS H H 53 8.967 9.034 -0.067 1
1 560 . 16 1 1 A 53 53 CYS HA H 53 3.862 4.122 -0.260 1
1 563 . 16 1 1 A 53 53 CYS C C 53 176.975 176.838 0.137 1
1 564 . 16 1 1 A 53 53 CYS CA C 53 63.438 62.453 0.985 1
1 565 . 16 1 1 A 53 53 CYS CB C 53 27.358 27.492 -0.134 1
1 566 . 16 1 1 A 53 53 CYS N N 53 122.121 125.651 -3.530 1
1 567 . 16 1 1 A 54 54 GLU H H 54 9.357 8.305 1.052 1
1 568 . 16 1 1 A 54 54 GLU HA H 54 4.083 4.141 -0.058 1
1 573 . 16 1 1 A 54 54 GLU C C 54 179.064 178.982 0.082 1
1 574 . 16 1 1 A 54 54 GLU CA C 54 59.626 59.200 0.426 1
1 575 . 16 1 1 A 54 54 GLU CB C 54 29.178 29.521 -0.343 1
1 577 . 16 1 1 A 54 54 GLU N N 54 120.121 118.310 1.811 1
1 578 . 16 1 1 A 55 55 ILE H H 55 7.650 8.667 -1.017 1
1 579 . 16 1 1 A 55 55 ILE HA H 55 4.005 3.883 0.122 1
1 589 . 16 1 1 A 55 55 ILE C C 55 179.331 178.316 1.015 1
1 590 . 16 1 1 A 55 55 ILE CA C 55 63.558 65.264 -1.706 1
1 591 . 16 1 1 A 55 55 ILE CB C 55 36.988 37.882 -0.894 1
1 595 . 16 1 1 A 55 55 ILE N N 55 119.061 121.621 -2.560 1
1 596 . 16 1 1 A 56 56 VAL H H 56 6.973 7.618 -0.645 1
1 597 . 16 1 1 A 56 56 VAL HA H 56 3.651 3.863 -0.212 1
1 605 . 16 1 1 A 56 56 VAL C C 56 177.874 178.083 -0.209 1
1 606 . 16 1 1 A 56 56 VAL CA C 56 66.847 65.921 0.926 1
1 607 . 16 1 1 A 56 56 VAL CB C 56 31.486 31.691 -0.205 1
1 610 . 16 1 1 A 56 56 VAL N N 56 121.206 121.305 -0.099 1
1 611 . 16 1 1 A 57 57 ARG H H 57 8.508 8.271 0.237 1
1 612 . 16 1 1 A 57 57 ARG HA H 57 3.928 4.088 -0.160 1
1 618 . 16 1 1 A 57 57 ARG C C 57 179.282 179.010 0.272 1
1 619 . 16 1 1 A 57 57 ARG CA C 57 61.095 59.798 1.297 1
1 620 . 16 1 1 A 57 57 ARG CB C 57 30.261 29.889 0.372 1
1 623 . 16 1 1 A 57 57 ARG N N 57 118.801 119.848 -1.047 1
1 624 . 16 1 1 A 58 58 THR H H 58 8.528 8.099 0.429 1
1 625 . 16 1 1 A 58 58 THR HA H 58 4.013 4.006 0.007 1
1 630 . 16 1 1 A 58 58 THR C C 58 175.518 176.264 -0.746 1
1 631 . 16 1 1 A 58 58 THR CA C 58 66.879 66.586 0.293 1
1 632 . 16 1 1 A 58 58 THR CB C 58 68.826 68.443 0.383 1
1 634 . 16 1 1 A 58 58 THR N N 58 117.805 117.077 0.728 1
1 635 . 16 1 1 A 59 59 TRP H H 59 7.904 8.048 -0.144 1
1 636 . 16 1 1 A 59 59 TRP HA H 59 4.228 4.361 -0.133 1
1 645 . 16 1 1 A 59 59 TRP C C 59 179.015 178.297 0.718 1
1 646 . 16 1 1 A 59 59 TRP CA C 59 63.377 61.507 1.870 1
1 647 . 16 1 1 A 59 59 TRP CB C 59 28.280 29.722 -1.442 1
1 653 . 16 1 1 A 59 59 TRP N N 59 124.326 123.274 1.052 1
1 655 . 16 1 1 A 60 60 ILE H H 60 8.799 8.403 0.396 1
1 656 . 16 1 1 A 60 60 ILE HA H 60 3.461 3.557 -0.096 1
1 666 . 16 1 1 A 60 60 ILE C C 60 178.481 177.865 0.616 1
1 667 . 16 1 1 A 60 60 ILE CA C 60 65.878 65.145 0.733 1
1 668 . 16 1 1 A 60 60 ILE CB C 60 39.399 38.231 1.168 1
1 672 . 16 1 1 A 60 60 ILE N N 60 119.831 119.687 0.144 1
1 673 . 16 1 1 A 61 61 GLY H H 61 8.659 7.728 0.931 1
1 674 . 16 1 1 A 61 61 GLY HA2 H 61 3.705 3.759 -0.054 1
1 675 . 16 1 1 A 61 61 GLY HA3 H 61 4.118 3.768 0.350 1
1 676 . 16 1 1 A 61 61 GLY C C 61 176.878 175.590 1.288 1
1 677 . 16 1 1 A 61 61 GLY CA C 61 47.388 47.262 0.126 1
1 678 . 16 1 1 A 61 61 GLY N N 61 106.205 107.737 -1.532 1
1 679 . 16 1 1 A 62 62 ASN H H 62 8.408 8.718 -0.310 1
1 680 . 16 1 1 A 62 62 ASN HA H 62 4.452 4.355 0.097 1
1 685 . 16 1 1 A 62 62 ASN C C 62 177.461 177.766 -0.305 1
1 686 . 16 1 1 A 62 62 ASN CA C 62 55.480 56.283 -0.803 1
1 687 . 16 1 1 A 62 62 ASN CB C 62 37.951 39.376 -1.425 1
1 688 . 16 1 1 A 62 62 ASN N N 62 120.644 119.927 0.717 1
1 690 . 16 1 1 A 63 63 ARG H H 63 7.816 7.863 -0.047 1
1 691 . 16 1 1 A 63 63 ARG HA H 63 3.544 3.806 -0.262 1
1 698 . 16 1 1 A 63 63 ARG C C 63 178.189 178.616 -0.427 1
1 699 . 16 1 1 A 63 63 ARG CA C 63 59.219 59.470 -0.251 1
1 700 . 16 1 1 A 63 63 ARG CB C 63 29.077 29.440 -0.363 1
1 703 . 16 1 1 A 63 63 ARG N N 63 124.207 119.672 4.535 1
1 704 . 16 1 1 A 64 64 ARG H H 64 8.578 8.207 0.371 1
1 705 . 16 1 1 A 64 64 ARG HA H 64 4.057 4.174 -0.117 1
1 712 . 16 1 1 A 64 64 ARG C C 64 179.039 178.963 0.076 1
1 713 . 16 1 1 A 64 64 ARG CA C 64 60.190 60.231 -0.041 1
1 714 . 16 1 1 A 64 64 ARG CB C 64 30.579 30.043 0.536 1
1 717 . 16 1 1 A 64 64 ARG N N 64 117.839 118.011 -0.172 1
1 718 . 16 1 1 A 65 65 ARG H H 65 7.712 8.302 -0.590 1
1 719 . 16 1 1 A 65 65 ARG HA H 65 4.091 4.117 -0.026 1
1 726 . 16 1 1 A 65 65 ARG C C 65 178.214 179.282 -1.068 1
1 727 . 16 1 1 A 65 65 ARG CA C 65 59.556 59.315 0.241 1
1 728 . 16 1 1 A 65 65 ARG CB C 65 30.167 30.062 0.105 1
1 731 . 16 1 1 A 65 65 ARG N N 65 118.827 119.184 -0.357 1
1 732 . 16 1 1 A 66 66 LYS H H 66 7.848 8.091 -0.243 1
1 733 . 16 1 1 A 66 66 LYS HA H 66 3.997 4.004 -0.007 1
1 741 . 16 1 1 A 66 66 LYS C C 66 178.481 179.499 -1.018 1
1 742 . 16 1 1 A 66 66 LYS CA C 66 59.110 58.883 0.227 1
1 743 . 16 1 1 A 66 66 LYS CB C 66 32.226 32.217 0.009 1
1 747 . 16 1 1 A 66 66 LYS N N 66 120.251 119.319 0.932 1
1 748 . 16 1 1 A 67 67 TYR H H 67 8.324 7.885 0.439 1
1 749 . 16 1 1 A 67 67 TYR HA H 67 4.274 4.281 -0.007 1
1 756 . 16 1 1 A 67 67 TYR C C 67 177.412 178.238 -0.826 1
1 757 . 16 1 1 A 67 67 TYR CA C 67 60.576 60.924 -0.348 1
1 758 . 16 1 1 A 67 67 TYR CB C 67 37.043 38.113 -1.070 1
1 763 . 16 1 1 A 67 67 TYR N N 67 118.725 119.588 -0.863 1
1 764 . 16 1 1 A 68 68 ARG H H 68 8.084 8.229 -0.145 1
1 765 . 16 1 1 A 68 68 ARG HA H 68 4.218 4.097 0.121 1
1 772 . 16 1 1 A 68 68 ARG C C 68 179.209 178.354 0.855 1
1 773 . 16 1 1 A 68 68 ARG CA C 68 58.616 59.360 -0.744 1
1 774 . 16 1 1 A 68 68 ARG CB C 68 29.343 29.779 -0.436 1
1 777 . 16 1 1 A 68 68 ARG N N 68 119.763 120.174 -0.411 1
1 778 . 16 1 1 A 69 69 LEU H H 69 8.168 8.543 -0.375 1
1 779 . 16 1 1 A 69 69 LEU HA H 69 4.244 3.997 0.247 1
1 789 . 16 1 1 A 69 69 LEU C C 69 178.457 179.299 -0.842 1
1 790 . 16 1 1 A 69 69 LEU CA C 69 56.981 57.882 -0.901 1
1 791 . 16 1 1 A 69 69 LEU CB C 69 41.955 41.559 0.396 1
1 795 . 16 1 1 A 69 69 LEU N N 69 120.874 119.580 1.294 1
1 796 . 16 1 1 A 70 70 MET H H 70 7.942 7.690 0.252 1
1 797 . 16 1 1 A 70 70 MET HA H 70 4.440 4.451 -0.011 1
1 805 . 16 1 1 A 70 70 MET C C 70 176.417 176.266 0.151 1
1 806 . 16 1 1 A 70 70 MET CA C 70 55.958 55.838 0.120 1
1 807 . 16 1 1 A 70 70 MET CB C 70 33.711 33.090 0.621 1
1 810 . 16 1 1 A 70 70 MET N N 70 117.335 116.396 0.939 1
1 811 . 16 1 1 A 71 71 GLY H H 71 8.107 8.313 -0.206 1
1 812 . 16 1 1 A 71 71 GLY HA2 H 71 3.906 4.051 -0.145 1
1 813 . 16 1 1 A 71 71 GLY HA3 H 71 4.055 4.054 0.001 1
1 814 . 16 1 1 A 71 71 GLY C C 71 174.255 174.200 0.055 1
1 815 . 16 1 1 A 71 71 GLY CA C 71 45.852 45.514 0.338 1
1 816 . 16 1 1 A 71 71 GLY N N 71 109.096 107.255 1.841 1
1 817 . 16 1 1 A 72 72 ILE H H 72 8.036 7.880 0.156 1
1 818 . 16 1 1 A 72 72 ILE HA H 72 4.197 4.514 -0.317 1
1 828 . 16 1 1 A 72 72 ILE C C 72 175.712 175.322 0.390 1
1 829 . 16 1 1 A 72 72 ILE CA C 72 60.626 60.191 0.435 1
1 830 . 16 1 1 A 72 72 ILE CB C 72 39.203 39.344 -0.141 1
1 834 . 16 1 1 A 72 72 ILE N N 72 120.615 120.745 -0.130 1
1 835 . 16 1 1 A 73 73 GLU H H 73 8.523 8.707 -0.184 1
1 836 . 16 1 1 A 73 73 GLU HA H 73 4.306 4.848 -0.542 1
1 841 . 16 1 1 A 73 73 GLU C C 73 176.417 175.380 1.037 1
1 842 . 16 1 1 A 73 73 GLU CA C 73 56.551 55.746 0.805 1
1 843 . 16 1 1 A 73 73 GLU CB C 73 30.167 31.034 -0.867 1
1 845 . 16 1 1 A 73 73 GLU N N 73 125.837 126.200 -0.363 1
1 846 . 16 1 1 A 74 74 VAL H H 74 8.319 8.457 -0.138 1
1 847 . 16 1 1 A 74 74 VAL HA H 74 4.187 4.773 -0.586 1
1 855 . 16 1 1 A 74 74 VAL C C 74 176.052 174.040 2.012 1
1 856 . 16 1 1 A 74 74 VAL CA C 74 62.103 60.573 1.530 1
1 857 . 16 1 1 A 74 74 VAL CB C 74 33.063 34.335 -1.272 1
1 860 . 16 1 1 A 74 74 VAL N N 74 122.642 124.902 -2.260 1
1 861 . 16 1 1 A 75 75 SER H H 75 8.460 8.778 -0.318 1
1 862 . 16 1 1 A 75 75 SER HA H 75 4.469 4.846 -0.377 1
1 865 . 16 1 1 A 75 75 SER C C 75 174.547 172.353 2.194 1
1 866 . 16 1 1 A 75 75 SER CA C 75 58.413 57.573 0.840 1
1 867 . 16 1 1 A 75 75 SER CB C 75 64.015 65.159 -1.144 1
1 868 . 16 1 1 A 75 75 SER N N 75 120.411 121.506 -1.095 1
1 869 . 16 1 1 A 76 76 GLY H H 76 8.307 8.343 -0.036 1
1 870 . 16 1 1 A 76 76 GLY HA2 H 76 4.096 4.240 -0.144 1
1 871 . 16 1 1 A 76 76 GLY C C 76 171.729 172.053 -0.324 1
1 872 . 16 1 1 A 76 76 GLY CA C 76 44.566 45.646 -1.080 1
1 873 . 16 1 1 A 76 76 GLY N N 76 110.975 110.474 0.501 1
1 874 . 16 1 1 A 77 77 PRO HA H 77 4.508 4.615 -0.107 1
1 880 . 16 1 1 A 77 77 PRO CA C 77 63.054 62.217 0.837 1
1 881 . 16 1 1 A 77 77 PRO CB C 77 32.299 29.923 2.376 1
1 884 . 16 1 1 A 79 79 SER HA H 79 4.507 4.206 0.301 1
1 887 . 16 1 1 A 79 79 SER C C 79 173.939 176.340 -2.401 1
1 888 . 16 1 1 A 79 79 SER CA C 79 58.427 61.578 -3.151 1
1 889 . 16 1 1 A 79 79 SER CB C 79 64.293 62.755 1.538 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.969 4.062 -0.093 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.969 4.063 -0.094 1
1 3 . 17 1 1 A 7 7 GLY C C 7 173.939 174.687 -0.748 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.342 45.774 -0.432 1
1 5 . 17 1 1 A 8 8 ALA H H 8 8.128 7.976 0.152 1
1 6 . 17 1 1 A 8 8 ALA HA H 8 4.329 3.931 0.398 1
1 10 . 17 1 1 A 8 8 ALA C C 8 177.971 176.772 1.199 1
1 11 . 17 1 1 A 8 8 ALA CA C 8 52.565 53.004 -0.439 1
1 12 . 17 1 1 A 8 8 ALA CB C 8 19.287 17.233 2.054 1
1 13 . 17 1 1 A 8 8 ALA N N 8 123.703 120.397 3.306 1
1 14 . 17 1 1 A 9 9 LEU H H 9 8.240 7.880 0.360 1
1 15 . 17 1 1 A 9 9 LEU HA H 9 4.304 4.237 0.067 1
1 25 . 17 1 1 A 9 9 LEU C C 9 177.655 175.848 1.807 1
1 26 . 17 1 1 A 9 9 LEU CA C 9 55.570 55.735 -0.165 1
1 27 . 17 1 1 A 9 9 LEU CB C 9 42.202 42.453 -0.251 1
1 31 . 17 1 1 A 9 9 LEU N N 9 121.161 119.559 1.602 1
1 32 . 17 1 1 A 10 10 GLN H H 10 8.305 8.525 -0.220 1
1 33 . 17 1 1 A 10 10 GLN HA H 10 4.313 4.640 -0.327 1
1 40 . 17 1 1 A 10 10 GLN C C 10 175.737 173.395 2.342 1
1 41 . 17 1 1 A 10 10 GLN CA C 10 56.099 55.653 0.446 1
1 42 . 17 1 1 A 10 10 GLN CB C 10 29.425 32.793 -3.368 1
1 44 . 17 1 1 A 10 10 GLN N N 10 120.538 124.042 -3.504 1
1 46 . 17 1 1 A 11 11 ASP H H 11 8.306 8.774 -0.468 1
1 47 . 17 1 1 A 11 11 ASP HA H 11 4.589 4.693 -0.104 1
1 50 . 17 1 1 A 11 11 ASP C C 11 176.319 175.154 1.165 1
1 51 . 17 1 1 A 11 11 ASP CA C 11 54.583 53.199 1.384 1
1 52 . 17 1 1 A 11 11 ASP CB C 11 41.204 40.630 0.574 1
1 53 . 17 1 1 A 11 11 ASP N N 11 121.418 126.143 -4.725 1
1 54 . 17 1 1 A 12 12 ARG H H 12 8.257 8.751 -0.494 1
1 55 . 17 1 1 A 12 12 ARG HA H 12 4.408 4.416 -0.008 1
1 62 . 17 1 1 A 12 12 ARG C C 12 176.295 176.187 0.108 1
1 63 . 17 1 1 A 12 12 ARG CA C 12 56.088 57.616 -1.528 1
1 64 . 17 1 1 A 12 12 ARG CB C 12 30.579 31.153 -0.574 1
1 67 . 17 1 1 A 12 12 ARG N N 12 121.271 125.644 -4.373 1
1 68 . 17 1 1 A 13 13 THR H H 13 8.189 7.733 0.456 1
1 69 . 17 1 1 A 13 13 THR HA H 13 4.193 4.610 -0.417 1
1 74 . 17 1 1 A 13 13 THR C C 13 174.121 174.092 0.029 1
1 75 . 17 1 1 A 13 13 THR CA C 13 62.448 60.292 2.156 1
1 76 . 17 1 1 A 13 13 THR CB C 13 69.697 70.402 -0.705 1
1 78 . 17 1 1 A 13 13 THR N N 13 114.810 110.839 3.971 1
1 79 . 17 1 1 A 14 14 GLN H H 14 8.130 9.033 -0.903 1
1 80 . 17 1 1 A 14 14 GLN HA H 14 4.314 4.815 -0.501 1
1 87 . 17 1 1 A 14 14 GLN C C 14 175.275 174.051 1.224 1
1 88 . 17 1 1 A 14 14 GLN CA C 14 55.253 53.824 1.429 1
1 89 . 17 1 1 A 14 14 GLN CB C 14 29.838 32.184 -2.346 1
1 91 . 17 1 1 A 14 14 GLN N N 14 122.533 121.900 0.633 1
1 93 . 17 1 1 A 15 15 PHE H H 15 8.151 8.710 -0.559 1
1 94 . 17 1 1 A 15 15 PHE HA H 15 5.009 5.135 -0.126 1
1 102 . 17 1 1 A 15 15 PHE C C 15 176.465 175.516 0.949 1
1 103 . 17 1 1 A 15 15 PHE CA C 15 57.157 57.334 -0.177 1
1 104 . 17 1 1 A 15 15 PHE CB C 15 40.996 40.318 0.678 1
1 110 . 17 1 1 A 15 15 PHE N N 15 120.835 121.465 -0.630 1
1 111 . 17 1 1 A 16 16 SER H H 16 9.565 8.617 0.948 1
1 112 . 17 1 1 A 16 16 SER HA H 16 4.610 4.596 0.014 1
1 115 . 17 1 1 A 16 16 SER C C 16 174.547 175.469 -0.922 1
1 116 . 17 1 1 A 16 16 SER CA C 16 56.946 58.467 -1.521 1
1 117 . 17 1 1 A 16 16 SER CB C 16 65.545 64.207 1.338 1
1 118 . 17 1 1 A 16 16 SER N N 16 119.442 120.592 -1.150 1
1 119 . 17 1 1 A 17 17 ASP H H 17 8.947 8.981 -0.034 1
1 120 . 17 1 1 A 17 17 ASP HA H 17 4.386 4.302 0.084 1
1 123 . 17 1 1 A 17 17 ASP C C 17 179.331 178.367 0.964 1
1 124 . 17 1 1 A 17 17 ASP CA C 17 58.074 58.016 0.058 1
1 125 . 17 1 1 A 17 17 ASP CB C 17 39.875 40.252 -0.377 1
1 126 . 17 1 1 A 17 17 ASP N N 17 120.645 123.740 -3.095 1
1 127 . 17 1 1 A 18 18 ARG H H 18 8.302 7.986 0.316 1
1 128 . 17 1 1 A 18 18 ARG HA H 18 4.098 4.041 0.057 1
1 135 . 17 1 1 A 18 18 ARG C C 18 178.699 178.596 0.103 1
1 136 . 17 1 1 A 18 18 ARG CA C 18 59.203 59.214 -0.011 1
1 137 . 17 1 1 A 18 18 ARG CB C 18 29.920 30.126 -0.206 1
1 140 . 17 1 1 A 18 18 ARG N N 18 121.398 119.777 1.621 1
1 141 . 17 1 1 A 19 19 ASP H H 19 7.853 8.157 -0.304 1
1 142 . 17 1 1 A 19 19 ASP HA H 19 4.151 4.262 -0.111 1
1 145 . 17 1 1 A 19 19 ASP C C 19 178.384 178.855 -0.471 1
1 146 . 17 1 1 A 19 19 ASP CA C 19 57.348 57.273 0.075 1
1 147 . 17 1 1 A 19 19 ASP CB C 19 40.392 40.740 -0.348 1
1 148 . 17 1 1 A 19 19 ASP N N 19 122.636 120.151 2.485 1
1 149 . 17 1 1 A 20 20 LEU H H 20 8.335 8.488 -0.153 1
1 150 . 17 1 1 A 20 20 LEU HA H 20 3.635 3.688 -0.053 1
1 160 . 17 1 1 A 20 20 LEU C C 20 179.234 178.736 0.498 1
1 161 . 17 1 1 A 20 20 LEU CA C 20 57.587 57.969 -0.382 1
1 162 . 17 1 1 A 20 20 LEU CB C 20 41.658 41.613 0.045 1
1 166 . 17 1 1 A 20 20 LEU N N 20 118.845 119.689 -0.844 1
1 167 . 17 1 1 A 21 21 ALA H H 21 7.905 8.242 -0.337 1
1 168 . 17 1 1 A 21 21 ALA HA H 21 4.123 4.054 0.069 1
1 172 . 17 1 1 A 21 21 ALA C C 21 181.031 179.767 1.264 1
1 173 . 17 1 1 A 21 21 ALA CA C 21 55.103 55.507 -0.404 1
1 174 . 17 1 1 A 21 21 ALA CB C 21 17.709 18.762 -1.053 1
1 175 . 17 1 1 A 21 21 ALA N N 21 122.007 120.709 1.298 1
1 176 . 17 1 1 A 22 22 THR H H 22 7.886 7.878 0.008 1
1 177 . 17 1 1 A 22 22 THR HA H 22 3.954 3.784 0.170 1
1 182 . 17 1 1 A 22 22 THR C C 22 175.834 176.336 -0.502 1
1 183 . 17 1 1 A 22 22 THR CA C 22 67.081 67.514 -0.433 1
1 184 . 17 1 1 A 22 22 THR CB C 22 68.253 69.038 -0.785 1
1 186 . 17 1 1 A 22 22 THR N N 22 119.042 114.409 4.633 1
1 187 . 17 1 1 A 23 23 LEU H H 23 8.036 8.047 -0.011 1
1 188 . 17 1 1 A 23 23 LEU HA H 23 3.404 3.811 -0.407 1
1 198 . 17 1 1 A 23 23 LEU C C 23 178.335 179.176 -0.841 1
1 199 . 17 1 1 A 23 23 LEU CA C 23 59.230 58.083 1.147 1
1 200 . 17 1 1 A 23 23 LEU CB C 23 39.399 40.902 -1.503 1
1 204 . 17 1 1 A 23 23 LEU N N 23 123.450 119.960 3.490 1
1 205 . 17 1 1 A 24 24 LYS H H 24 8.166 8.483 -0.317 1
1 206 . 17 1 1 A 24 24 LYS HA H 24 4.074 4.111 -0.037 1
1 215 . 17 1 1 A 24 24 LYS C C 24 177.631 178.860 -1.229 1
1 216 . 17 1 1 A 24 24 LYS CA C 24 60.367 60.479 -0.112 1
1 217 . 17 1 1 A 24 24 LYS CB C 24 32.554 32.366 0.188 1
1 221 . 17 1 1 A 24 24 LYS N N 24 117.974 117.380 0.594 1
1 222 . 17 1 1 A 25 25 LYS H H 25 7.837 8.212 -0.375 1
1 223 . 17 1 1 A 25 25 LYS HA H 25 4.205 4.021 0.184 1
1 232 . 17 1 1 A 25 25 LYS C C 25 179.695 178.365 1.330 1
1 233 . 17 1 1 A 25 25 LYS CA C 25 59.704 59.393 0.311 1
1 234 . 17 1 1 A 25 25 LYS CB C 25 31.816 32.000 -0.184 1
1 238 . 17 1 1 A 25 25 LYS N N 25 120.567 120.613 -0.046 1
1 239 . 17 1 1 A 26 26 TYR H H 26 8.158 7.567 0.591 1
1 240 . 17 1 1 A 26 26 TYR HA H 26 4.089 4.231 -0.142 1
1 247 . 17 1 1 A 26 26 TYR C C 26 180.035 178.736 1.299 1
1 248 . 17 1 1 A 26 26 TYR CA C 26 63.104 60.593 2.511 1
1 249 . 17 1 1 A 26 26 TYR CB C 26 36.926 38.181 -1.255 1
1 254 . 17 1 1 A 26 26 TYR N N 26 118.591 118.007 0.584 1
1 255 . 17 1 1 A 27 27 TRP H H 27 9.294 8.407 0.887 1
1 256 . 17 1 1 A 27 27 TRP HA H 27 4.349 4.376 -0.027 1
1 265 . 17 1 1 A 27 27 TRP C C 27 179.209 178.429 0.780 1
1 266 . 17 1 1 A 27 27 TRP CA C 27 61.357 60.615 0.742 1
1 267 . 17 1 1 A 27 27 TRP CB C 27 28.481 29.875 -1.394 1
1 273 . 17 1 1 A 27 27 TRP N N 27 125.036 122.323 2.713 1
1 275 . 17 1 1 A 28 28 ASP H H 28 9.354 8.250 1.104 1
1 276 . 17 1 1 A 28 28 ASP HA H 28 4.479 4.665 -0.186 1
1 279 . 17 1 1 A 28 28 ASP C C 28 176.999 177.329 -0.330 1
1 280 . 17 1 1 A 28 28 ASP CA C 28 57.024 56.960 0.064 1
1 281 . 17 1 1 A 28 28 ASP CB C 28 39.894 41.054 -1.160 1
1 282 . 17 1 1 A 28 28 ASP N N 28 121.650 119.268 2.382 1
1 283 . 17 1 1 A 29 29 ASN H H 29 7.569 8.348 -0.779 1
1 284 . 17 1 1 A 29 29 ASN HA H 29 4.905 4.851 0.054 1
1 289 . 17 1 1 A 29 29 ASN C C 29 174.935 175.321 -0.386 1
1 290 . 17 1 1 A 29 29 ASN CA C 29 52.819 53.169 -0.350 1
1 291 . 17 1 1 A 29 29 ASN CB C 29 39.320 39.056 0.264 1
1 292 . 17 1 1 A 29 29 ASN N N 29 116.912 115.487 1.425 1
1 294 . 17 1 1 A 30 30 GLY H H 30 7.695 7.673 0.022 1
1 295 . 17 1 1 A 30 30 GLY HA2 H 30 3.603 3.747 -0.144 1
1 296 . 17 1 1 A 30 30 GLY HA3 H 30 4.489 3.860 0.629 1
1 297 . 17 1 1 A 30 30 GLY C C 30 174.571 174.847 -0.276 1
1 298 . 17 1 1 A 30 30 GLY CA C 30 45.332 46.747 -1.415 1
1 299 . 17 1 1 A 30 30 GLY N N 30 105.356 107.877 -2.521 1
1 300 . 17 1 1 A 31 31 MET H H 31 8.574 7.911 0.663 1
1 301 . 17 1 1 A 31 31 MET HA H 31 4.769 4.421 0.348 1
1 309 . 17 1 1 A 31 31 MET C C 31 173.381 176.681 -3.300 1
1 310 . 17 1 1 A 31 31 MET CA C 31 54.301 56.328 -2.027 1
1 311 . 17 1 1 A 31 31 MET CB C 31 31.899 32.312 -0.413 1
1 314 . 17 1 1 A 31 31 MET N N 31 125.209 121.250 3.959 1
1 315 . 17 1 1 A 32 32 THR H H 32 7.284 6.974 0.310 1
1 316 . 17 1 1 A 32 32 THR HA H 32 4.003 3.831 0.172 1
1 321 . 17 1 1 A 32 32 THR C C 32 173.721 173.012 0.709 1
1 322 . 17 1 1 A 32 32 THR CA C 32 59.873 60.943 -1.070 1
1 323 . 17 1 1 A 32 32 THR CB C 32 69.651 66.696 2.955 1
1 325 . 17 1 1 A 32 32 THR N N 32 108.409 113.287 -4.878 1
1 326 . 17 1 1 A 33 33 SER H H 33 7.809 7.556 0.253 1
1 327 . 17 1 1 A 33 33 SER HA H 33 4.614 4.882 -0.268 1
1 330 . 17 1 1 A 33 33 SER C C 33 171.608 173.680 -2.072 1
1 331 . 17 1 1 A 33 33 SER CA C 33 56.764 57.233 -0.469 1
1 332 . 17 1 1 A 33 33 SER CB C 33 65.653 66.534 -0.881 1
1 333 . 17 1 1 A 33 33 SER N N 33 115.742 117.714 -1.972 1
1 334 . 17 1 1 A 34 34 LEU H H 34 8.284 8.566 -0.282 1
1 335 . 17 1 1 A 34 34 LEU HA H 34 4.488 4.327 0.161 1
1 345 . 17 1 1 A 34 34 LEU C C 34 178.335 177.937 0.398 1
1 346 . 17 1 1 A 34 34 LEU CA C 34 54.583 57.183 -2.600 1
1 347 . 17 1 1 A 34 34 LEU CB C 34 41.872 42.169 -0.297 1
1 351 . 17 1 1 A 34 34 LEU N N 34 116.566 124.548 -7.982 1
1 352 . 17 1 1 A 35 35 GLY H H 35 8.159 8.119 0.040 1
1 353 . 17 1 1 A 35 35 GLY HA2 H 35 4.239 3.833 0.406 1
1 354 . 17 1 1 A 35 35 GLY HA3 H 35 3.949 3.839 0.110 1
1 355 . 17 1 1 A 35 35 GLY C C 35 175.299 175.961 -0.662 1
1 356 . 17 1 1 A 35 35 GLY CA C 35 44.707 45.660 -0.953 1
1 357 . 17 1 1 A 35 35 GLY N N 35 106.688 107.538 -0.850 1
1 358 . 17 1 1 A 36 36 SER HA H 36 4.123 4.129 -0.006 1
1 360 . 17 1 1 A 36 36 SER CA C 36 61.785 61.801 -0.016 1
1 361 . 17 1 1 A 36 36 SER CB C 36 62.793 62.899 -0.106 1
1 362 . 17 1 1 A 37 37 VAL HA H 37 4.155 3.832 0.323 1
1 370 . 17 1 1 A 37 37 VAL C C 37 177.048 178.218 -1.170 1
1 371 . 17 1 1 A 37 37 VAL CA C 37 64.423 65.448 -1.025 1
1 372 . 17 1 1 A 37 37 VAL CB C 37 31.486 31.487 -0.001 1
1 375 . 17 1 1 A 38 38 CYS H H 38 7.746 8.482 -0.736 1
1 376 . 17 1 1 A 38 38 CYS HA H 38 4.787 4.240 0.547 1
1 379 . 17 1 1 A 38 38 CYS C C 38 174.522 177.130 -2.608 1
1 380 . 17 1 1 A 38 38 CYS CA C 38 59.344 62.554 -3.210 1
1 381 . 17 1 1 A 38 38 CYS CB C 38 29.261 27.165 2.096 1
1 382 . 17 1 1 A 38 38 CYS N N 38 116.501 120.561 -4.060 1
1 383 . 17 1 1 A 39 39 ARG H H 39 7.633 7.659 -0.026 1
1 384 . 17 1 1 A 39 39 ARG HA H 39 3.847 3.923 -0.076 1
1 390 . 17 1 1 A 39 39 ARG C C 39 177.315 178.942 -1.627 1
1 391 . 17 1 1 A 39 39 ARG CA C 39 60.952 59.319 1.633 1
1 392 . 17 1 1 A 39 39 ARG CB C 39 30.332 29.964 0.368 1
1 395 . 17 1 1 A 39 39 ARG N N 39 122.520 122.125 0.395 1
1 396 . 17 1 1 A 40 40 GLU H H 40 8.827 8.344 0.483 1
1 397 . 17 1 1 A 40 40 GLU HA H 40 4.070 4.013 0.057 1
1 402 . 17 1 1 A 40 40 GLU C C 40 179.719 179.204 0.515 1
1 403 . 17 1 1 A 40 40 GLU CA C 40 60.065 59.152 0.913 1
1 404 . 17 1 1 A 40 40 GLU CB C 40 29.094 29.018 0.076 1
1 406 . 17 1 1 A 40 40 GLU N N 40 116.909 118.001 -1.092 1
1 407 . 17 1 1 A 41 41 LYS H H 41 7.660 7.646 0.014 1
1 408 . 17 1 1 A 41 41 LYS HA H 41 4.293 3.984 0.309 1
1 416 . 17 1 1 A 41 41 LYS C C 41 176.854 179.092 -2.238 1
1 417 . 17 1 1 A 41 41 LYS CA C 41 59.908 59.226 0.682 1
1 418 . 17 1 1 A 41 41 LYS CB C 41 33.704 32.187 1.517 1
1 422 . 17 1 1 A 41 41 LYS N N 41 120.497 119.083 1.414 1
1 423 . 17 1 1 A 42 42 ILE H H 42 8.050 8.389 -0.339 1
1 424 . 17 1 1 A 42 42 ILE HA H 42 3.756 3.485 0.271 1
1 434 . 17 1 1 A 42 42 ILE C C 42 177.607 177.740 -0.133 1
1 435 . 17 1 1 A 42 42 ILE CA C 42 65.460 65.044 0.416 1
1 436 . 17 1 1 A 42 42 ILE CB C 42 38.516 37.616 0.900 1
1 440 . 17 1 1 A 42 42 ILE N N 42 119.276 120.273 -0.997 1
1 441 . 17 1 1 A 43 43 GLU H H 43 8.142 8.220 -0.078 1
1 442 . 17 1 1 A 43 43 GLU HA H 43 4.011 4.011 0.000 1
1 447 . 17 1 1 A 43 43 GLU C C 43 179.477 178.991 0.486 1
1 448 . 17 1 1 A 43 43 GLU CA C 43 59.340 59.406 -0.066 1
1 449 . 17 1 1 A 43 43 GLU CB C 43 29.425 29.177 0.248 1
1 451 . 17 1 1 A 43 43 GLU N N 43 116.432 120.325 -3.893 1
1 452 . 17 1 1 A 44 44 ALA H H 44 8.053 8.256 -0.203 1
1 453 . 17 1 1 A 44 44 ALA HA H 44 4.217 4.155 0.062 1
1 457 . 17 1 1 A 44 44 ALA C C 44 180.958 179.126 1.832 1
1 458 . 17 1 1 A 44 44 ALA CA C 44 55.453 54.846 0.607 1
1 459 . 17 1 1 A 44 44 ALA CB C 44 18.553 19.267 -0.714 1
1 460 . 17 1 1 A 44 44 ALA N N 44 122.819 122.803 0.016 1
1 461 . 17 1 1 A 45 45 VAL H H 45 8.400 7.356 1.044 1
1 462 . 17 1 1 A 45 45 VAL HA H 45 3.530 3.728 -0.198 1
1 470 . 17 1 1 A 45 45 VAL C C 45 176.465 177.184 -0.719 1
1 471 . 17 1 1 A 45 45 VAL CA C 45 65.075 64.761 0.314 1
1 472 . 17 1 1 A 45 45 VAL CB C 45 29.673 31.059 -1.386 1
1 475 . 17 1 1 A 45 45 VAL N N 45 120.862 116.884 3.978 1
1 476 . 17 1 1 A 46 46 ALA H H 46 8.225 7.943 0.282 1
1 477 . 17 1 1 A 46 46 ALA HA H 46 3.787 4.060 -0.273 1
1 481 . 17 1 1 A 46 46 ALA C C 46 180.205 179.555 0.650 1
1 482 . 17 1 1 A 46 46 ALA CA C 46 55.753 55.199 0.554 1
1 483 . 17 1 1 A 46 46 ALA CB C 46 18.516 18.552 -0.036 1
1 484 . 17 1 1 A 46 46 ALA N N 46 125.827 123.882 1.945 1
1 485 . 17 1 1 A 47 47 THR H H 47 7.850 7.314 0.536 1
1 486 . 17 1 1 A 47 47 THR HA H 47 4.084 4.003 0.081 1
1 491 . 17 1 1 A 47 47 THR C C 47 177.339 176.456 0.883 1
1 492 . 17 1 1 A 47 47 THR CA C 47 66.492 64.663 1.829 1
1 493 . 17 1 1 A 47 47 THR CB C 47 68.772 68.883 -0.111 1
1 495 . 17 1 1 A 47 47 THR N N 47 113.467 112.439 1.028 1
1 496 . 17 1 1 A 48 48 GLU H H 48 8.050 8.206 -0.156 1
1 497 . 17 1 1 A 48 48 GLU HA H 48 4.001 4.089 -0.088 1
1 502 . 17 1 1 A 48 48 GLU C C 48 178.457 178.356 0.101 1
1 503 . 17 1 1 A 48 48 GLU CA C 48 60.174 58.567 1.607 1
1 504 . 17 1 1 A 48 48 GLU CB C 48 29.719 29.602 0.117 1
1 506 . 17 1 1 A 48 48 GLU N N 48 123.295 120.936 2.359 1
1 507 . 17 1 1 A 49 49 LEU H H 49 8.198 7.604 0.594 1
1 508 . 17 1 1 A 49 49 LEU HA H 49 4.215 4.274 -0.059 1
1 518 . 17 1 1 A 49 49 LEU C C 49 176.344 175.866 0.478 1
1 519 . 17 1 1 A 49 49 LEU CA C 49 55.050 54.842 0.208 1
1 520 . 17 1 1 A 49 49 LEU CB C 49 42.861 42.083 0.778 1
1 524 . 17 1 1 A 49 49 LEU N N 49 115.963 117.960 -1.997 1
1 525 . 17 1 1 A 50 50 ASN H H 50 8.008 7.766 0.242 1
1 526 . 17 1 1 A 50 50 ASN HA H 50 4.411 4.280 0.131 1
1 531 . 17 1 1 A 50 50 ASN C C 50 174.522 173.735 0.787 1
1 532 . 17 1 1 A 50 50 ASN CA C 50 54.159 54.444 -0.285 1
1 533 . 17 1 1 A 50 50 ASN CB C 50 37.446 36.598 0.848 1
1 534 . 17 1 1 A 50 50 ASN N N 50 118.398 115.748 2.650 1
1 536 . 17 1 1 A 51 51 VAL H H 51 8.240 7.613 0.627 1
1 537 . 17 1 1 A 51 51 VAL HA H 51 4.792 4.847 -0.055 1
1 545 . 17 1 1 A 51 51 VAL C C 51 174.619 174.788 -0.169 1
1 546 . 17 1 1 A 51 51 VAL CA C 51 58.674 58.663 0.011 1
1 547 . 17 1 1 A 51 51 VAL CB C 51 36.102 35.444 0.658 1
1 550 . 17 1 1 A 51 51 VAL N N 51 110.142 111.202 -1.060 1
1 551 . 17 1 1 A 52 52 ASP H H 52 8.164 8.691 -0.527 1
1 552 . 17 1 1 A 52 52 ASP HA H 52 4.597 4.589 0.008 1
1 555 . 17 1 1 A 52 52 ASP C C 52 178.262 178.428 -0.166 1
1 556 . 17 1 1 A 52 52 ASP CA C 52 54.423 55.026 -0.603 1
1 557 . 17 1 1 A 52 52 ASP CB C 52 43.200 40.901 2.299 1
1 558 . 17 1 1 A 52 52 ASP N N 52 120.019 123.156 -3.137 1
1 559 . 17 1 1 A 53 53 CYS H H 53 8.967 9.035 -0.068 1
1 560 . 17 1 1 A 53 53 CYS HA H 53 3.862 4.048 -0.186 1
1 563 . 17 1 1 A 53 53 CYS C C 53 176.975 177.041 -0.066 1
1 564 . 17 1 1 A 53 53 CYS CA C 53 63.438 62.358 1.080 1
1 565 . 17 1 1 A 53 53 CYS CB C 53 27.358 27.411 -0.053 1
1 566 . 17 1 1 A 53 53 CYS N N 53 122.121 123.794 -1.673 1
1 567 . 17 1 1 A 54 54 GLU H H 54 9.357 8.233 1.124 1
1 568 . 17 1 1 A 54 54 GLU HA H 54 4.083 4.111 -0.028 1
1 573 . 17 1 1 A 54 54 GLU C C 54 179.064 179.146 -0.082 1
1 574 . 17 1 1 A 54 54 GLU CA C 54 59.626 59.264 0.362 1
1 575 . 17 1 1 A 54 54 GLU CB C 54 29.178 29.602 -0.424 1
1 577 . 17 1 1 A 54 54 GLU N N 54 120.121 120.917 -0.796 1
1 578 . 17 1 1 A 55 55 ILE H H 55 7.650 8.330 -0.680 1
1 579 . 17 1 1 A 55 55 ILE HA H 55 4.005 3.817 0.188 1
1 589 . 17 1 1 A 55 55 ILE C C 55 179.331 178.803 0.528 1
1 590 . 17 1 1 A 55 55 ILE CA C 55 63.558 65.359 -1.801 1
1 591 . 17 1 1 A 55 55 ILE CB C 55 36.988 37.951 -0.963 1
1 595 . 17 1 1 A 55 55 ILE N N 55 119.061 119.973 -0.912 1
1 596 . 17 1 1 A 56 56 VAL H H 56 6.973 7.901 -0.928 1
1 597 . 17 1 1 A 56 56 VAL HA H 56 3.651 3.626 0.025 1
1 605 . 17 1 1 A 56 56 VAL C C 56 177.874 178.196 -0.322 1
1 606 . 17 1 1 A 56 56 VAL CA C 56 66.847 66.708 0.139 1
1 607 . 17 1 1 A 56 56 VAL CB C 56 31.486 31.679 -0.193 1
1 610 . 17 1 1 A 56 56 VAL N N 56 121.206 120.534 0.672 1
1 611 . 17 1 1 A 57 57 ARG H H 57 8.508 8.372 0.136 1
1 612 . 17 1 1 A 57 57 ARG HA H 57 3.928 4.085 -0.157 1
1 618 . 17 1 1 A 57 57 ARG C C 57 179.282 179.220 0.062 1
1 619 . 17 1 1 A 57 57 ARG CA C 57 61.095 59.958 1.137 1
1 620 . 17 1 1 A 57 57 ARG CB C 57 30.261 30.086 0.175 1
1 623 . 17 1 1 A 57 57 ARG N N 57 118.801 119.219 -0.418 1
1 624 . 17 1 1 A 58 58 THR H H 58 8.528 8.195 0.333 1
1 625 . 17 1 1 A 58 58 THR HA H 58 4.013 4.000 0.013 1
1 630 . 17 1 1 A 58 58 THR C C 58 175.518 176.337 -0.819 1
1 631 . 17 1 1 A 58 58 THR CA C 58 66.879 66.408 0.471 1
1 632 . 17 1 1 A 58 58 THR CB C 58 68.826 68.591 0.235 1
1 634 . 17 1 1 A 58 58 THR N N 58 117.805 118.165 -0.360 1
1 635 . 17 1 1 A 59 59 TRP H H 59 7.904 8.025 -0.121 1
1 636 . 17 1 1 A 59 59 TRP HA H 59 4.228 4.424 -0.196 1
1 645 . 17 1 1 A 59 59 TRP C C 59 179.015 178.643 0.372 1
1 646 . 17 1 1 A 59 59 TRP CA C 59 63.377 61.519 1.858 1
1 647 . 17 1 1 A 59 59 TRP CB C 59 28.280 29.708 -1.428 1
1 653 . 17 1 1 A 59 59 TRP N N 59 124.326 124.484 -0.158 1
1 655 . 17 1 1 A 60 60 ILE H H 60 8.799 8.180 0.619 1
1 656 . 17 1 1 A 60 60 ILE HA H 60 3.461 3.547 -0.086 1
1 666 . 17 1 1 A 60 60 ILE C C 60 178.481 177.866 0.615 1
1 667 . 17 1 1 A 60 60 ILE CA C 60 65.878 65.110 0.768 1
1 668 . 17 1 1 A 60 60 ILE CB C 60 39.399 38.102 1.297 1
1 672 . 17 1 1 A 60 60 ILE N N 60 119.831 119.596 0.235 1
1 673 . 17 1 1 A 61 61 GLY H H 61 8.659 7.852 0.807 1
1 674 . 17 1 1 A 61 61 GLY HA2 H 61 3.705 3.778 -0.073 1
1 675 . 17 1 1 A 61 61 GLY HA3 H 61 4.118 3.793 0.325 1
1 676 . 17 1 1 A 61 61 GLY C C 61 176.878 175.949 0.929 1
1 677 . 17 1 1 A 61 61 GLY CA C 61 47.388 47.380 0.008 1
1 678 . 17 1 1 A 61 61 GLY N N 61 106.205 108.099 -1.894 1
1 679 . 17 1 1 A 62 62 ASN H H 62 8.408 7.937 0.471 1
1 680 . 17 1 1 A 62 62 ASN HA H 62 4.452 4.399 0.053 1
1 685 . 17 1 1 A 62 62 ASN C C 62 177.461 177.801 -0.340 1
1 686 . 17 1 1 A 62 62 ASN CA C 62 55.480 56.050 -0.570 1
1 687 . 17 1 1 A 62 62 ASN CB C 62 37.951 38.247 -0.296 1
1 688 . 17 1 1 A 62 62 ASN N N 62 120.644 119.866 0.778 1
1 690 . 17 1 1 A 63 63 ARG H H 63 7.816 8.072 -0.256 1
1 691 . 17 1 1 A 63 63 ARG HA H 63 3.544 3.814 -0.270 1
1 698 . 17 1 1 A 63 63 ARG C C 63 178.189 178.464 -0.275 1
1 699 . 17 1 1 A 63 63 ARG CA C 63 59.219 59.543 -0.324 1
1 700 . 17 1 1 A 63 63 ARG CB C 63 29.077 29.673 -0.596 1
1 703 . 17 1 1 A 63 63 ARG N N 63 124.207 119.980 4.227 1
1 704 . 17 1 1 A 64 64 ARG H H 64 8.578 8.251 0.327 1
1 705 . 17 1 1 A 64 64 ARG HA H 64 4.057 4.132 -0.075 1
1 712 . 17 1 1 A 64 64 ARG C C 64 179.039 179.009 0.030 1
1 713 . 17 1 1 A 64 64 ARG CA C 64 60.190 60.158 0.032 1
1 714 . 17 1 1 A 64 64 ARG CB C 64 30.579 29.985 0.594 1
1 717 . 17 1 1 A 64 64 ARG N N 64 117.839 117.800 0.039 1
1 718 . 17 1 1 A 65 65 ARG H H 65 7.712 7.647 0.065 1
1 719 . 17 1 1 A 65 65 ARG HA H 65 4.091 3.999 0.092 1
1 726 . 17 1 1 A 65 65 ARG C C 65 178.214 178.342 -0.128 1
1 727 . 17 1 1 A 65 65 ARG CA C 65 59.556 59.322 0.234 1
1 728 . 17 1 1 A 65 65 ARG CB C 65 30.167 29.837 0.330 1
1 731 . 17 1 1 A 65 65 ARG N N 65 118.827 119.778 -0.951 1
1 732 . 17 1 1 A 66 66 LYS H H 66 7.848 7.689 0.159 1
1 733 . 17 1 1 A 66 66 LYS HA H 66 3.997 3.933 0.064 1
1 741 . 17 1 1 A 66 66 LYS C C 66 178.481 178.337 0.144 1
1 742 . 17 1 1 A 66 66 LYS CA C 66 59.110 59.266 -0.156 1
1 743 . 17 1 1 A 66 66 LYS CB C 66 32.226 32.178 0.048 1
1 747 . 17 1 1 A 66 66 LYS N N 66 120.251 119.377 0.874 1
1 748 . 17 1 1 A 67 67 TYR H H 67 8.324 7.642 0.682 1
1 749 . 17 1 1 A 67 67 TYR HA H 67 4.274 4.279 -0.005 1
1 756 . 17 1 1 A 67 67 TYR C C 67 177.412 178.515 -1.103 1
1 757 . 17 1 1 A 67 67 TYR CA C 67 60.576 61.547 -0.971 1
1 758 . 17 1 1 A 67 67 TYR CB C 67 37.043 38.336 -1.293 1
1 763 . 17 1 1 A 67 67 TYR N N 67 118.725 118.826 -0.101 1
1 764 . 17 1 1 A 68 68 ARG H H 68 8.084 8.453 -0.369 1
1 765 . 17 1 1 A 68 68 ARG HA H 68 4.218 3.969 0.249 1
1 772 . 17 1 1 A 68 68 ARG C C 68 179.209 178.724 0.485 1
1 773 . 17 1 1 A 68 68 ARG CA C 68 58.616 59.561 -0.945 1
1 774 . 17 1 1 A 68 68 ARG CB C 68 29.343 30.193 -0.850 1
1 777 . 17 1 1 A 68 68 ARG N N 68 119.763 118.748 1.015 1
1 778 . 17 1 1 A 69 69 LEU H H 69 8.168 8.518 -0.350 1
1 779 . 17 1 1 A 69 69 LEU HA H 69 4.244 3.995 0.249 1
1 789 . 17 1 1 A 69 69 LEU C C 69 178.457 179.282 -0.825 1
1 790 . 17 1 1 A 69 69 LEU CA C 69 56.981 57.878 -0.897 1
1 791 . 17 1 1 A 69 69 LEU CB C 69 41.955 41.555 0.400 1
1 795 . 17 1 1 A 69 69 LEU N N 69 120.874 120.048 0.826 1
1 796 . 17 1 1 A 70 70 MET H H 70 7.942 7.908 0.034 1
1 797 . 17 1 1 A 70 70 MET HA H 70 4.440 4.468 -0.028 1
1 805 . 17 1 1 A 70 70 MET C C 70 176.417 176.315 0.102 1
1 806 . 17 1 1 A 70 70 MET CA C 70 55.958 55.831 0.127 1
1 807 . 17 1 1 A 70 70 MET CB C 70 33.711 33.088 0.623 1
1 810 . 17 1 1 A 70 70 MET N N 70 117.335 116.368 0.967 1
1 811 . 17 1 1 A 71 71 GLY H H 71 8.107 8.279 -0.172 1
1 812 . 17 1 1 A 71 71 GLY HA2 H 71 3.906 4.004 -0.098 1
1 813 . 17 1 1 A 71 71 GLY HA3 H 71 4.055 4.009 0.046 1
1 814 . 17 1 1 A 71 71 GLY C C 71 174.255 174.550 -0.295 1
1 815 . 17 1 1 A 71 71 GLY CA C 71 45.852 46.062 -0.210 1
1 816 . 17 1 1 A 71 71 GLY N N 71 109.096 107.238 1.858 1
1 817 . 17 1 1 A 72 72 ILE H H 72 8.036 8.045 -0.009 1
1 818 . 17 1 1 A 72 72 ILE HA H 72 4.197 4.258 -0.061 1
1 828 . 17 1 1 A 72 72 ILE C C 72 175.712 175.576 0.136 1
1 829 . 17 1 1 A 72 72 ILE CA C 72 60.626 60.471 0.155 1
1 830 . 17 1 1 A 72 72 ILE CB C 72 39.203 38.417 0.786 1
1 834 . 17 1 1 A 72 72 ILE N N 72 120.615 120.949 -0.334 1
1 835 . 17 1 1 A 73 73 GLU H H 73 8.523 8.646 -0.123 1
1 836 . 17 1 1 A 73 73 GLU HA H 73 4.306 4.629 -0.323 1
1 841 . 17 1 1 A 73 73 GLU C C 73 176.417 177.177 -0.760 1
1 842 . 17 1 1 A 73 73 GLU CA C 73 56.551 56.056 0.495 1
1 843 . 17 1 1 A 73 73 GLU CB C 73 30.167 28.878 1.289 1
1 845 . 17 1 1 A 73 73 GLU N N 73 125.837 125.418 0.419 1
1 846 . 17 1 1 A 74 74 VAL H H 74 8.319 7.934 0.385 1
1 847 . 17 1 1 A 74 74 VAL HA H 74 4.187 4.046 0.141 1
1 855 . 17 1 1 A 74 74 VAL C C 74 176.052 176.145 -0.093 1
1 856 . 17 1 1 A 74 74 VAL CA C 74 62.103 64.356 -2.253 1
1 857 . 17 1 1 A 74 74 VAL CB C 74 33.063 31.933 1.130 1
1 860 . 17 1 1 A 74 74 VAL N N 74 122.642 120.732 1.910 1
1 861 . 17 1 1 A 75 75 SER H H 75 8.460 7.570 0.890 1
1 862 . 17 1 1 A 75 75 SER HA H 75 4.469 4.788 -0.319 1
1 865 . 17 1 1 A 75 75 SER C C 75 174.547 173.496 1.051 1
1 866 . 17 1 1 A 75 75 SER CA C 75 58.413 57.440 0.973 1
1 867 . 17 1 1 A 75 75 SER CB C 75 64.015 63.510 0.505 1
1 868 . 17 1 1 A 75 75 SER N N 75 120.411 117.045 3.366 1
1 869 . 17 1 1 A 76 76 GLY H H 76 8.307 8.524 -0.217 1
1 870 . 17 1 1 A 76 76 GLY HA2 H 76 4.096 4.354 -0.258 1
1 871 . 17 1 1 A 76 76 GLY C C 76 171.729 171.906 -0.177 1
1 872 . 17 1 1 A 76 76 GLY CA C 76 44.566 45.404 -0.838 1
1 873 . 17 1 1 A 76 76 GLY N N 76 110.975 112.288 -1.313 1
1 874 . 17 1 1 A 77 77 PRO HA H 77 4.508 4.639 -0.131 1
1 880 . 17 1 1 A 77 77 PRO CA C 77 63.054 62.783 0.271 1
1 881 . 17 1 1 A 77 77 PRO CB C 77 32.299 31.658 0.641 1
1 884 . 17 1 1 A 79 79 SER HA H 79 4.507 5.051 -0.544 1
1 887 . 17 1 1 A 79 79 SER C C 79 173.939 173.002 0.937 1
1 888 . 17 1 1 A 79 79 SER CA C 79 58.427 57.955 0.472 1
1 889 . 17 1 1 A 79 79 SER CB C 79 64.293 67.535 -3.242 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.969 4.055 -0.086 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.969 4.056 -0.087 1
1 3 . 18 1 1 A 7 7 GLY C C 7 173.939 174.670 -0.731 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.342 46.235 -0.893 1
1 5 . 18 1 1 A 8 8 ALA H H 8 8.128 8.106 0.022 1
1 6 . 18 1 1 A 8 8 ALA HA H 8 4.329 4.417 -0.088 1
1 10 . 18 1 1 A 8 8 ALA C C 8 177.971 177.777 0.194 1
1 11 . 18 1 1 A 8 8 ALA CA C 8 52.565 52.148 0.417 1
1 12 . 18 1 1 A 8 8 ALA CB C 8 19.287 19.488 -0.201 1
1 13 . 18 1 1 A 8 8 ALA N N 8 123.703 122.754 0.949 1
1 14 . 18 1 1 A 9 9 LEU H H 9 8.240 8.349 -0.109 1
1 15 . 18 1 1 A 9 9 LEU HA H 9 4.304 3.999 0.305 1
1 25 . 18 1 1 A 9 9 LEU C C 9 177.655 176.407 1.248 1
1 26 . 18 1 1 A 9 9 LEU CA C 9 55.570 58.374 -2.804 1
1 27 . 18 1 1 A 9 9 LEU CB C 9 42.202 42.461 -0.259 1
1 31 . 18 1 1 A 9 9 LEU N N 9 121.161 123.475 -2.314 1
1 32 . 18 1 1 A 10 10 GLN H H 10 8.305 7.783 0.522 1
1 33 . 18 1 1 A 10 10 GLN HA H 10 4.313 4.507 -0.194 1
1 40 . 18 1 1 A 10 10 GLN C C 10 175.737 175.124 0.613 1
1 41 . 18 1 1 A 10 10 GLN CA C 10 56.099 55.548 0.551 1
1 42 . 18 1 1 A 10 10 GLN CB C 10 29.425 30.416 -0.991 1
1 44 . 18 1 1 A 10 10 GLN N N 10 120.538 117.594 2.944 1
1 46 . 18 1 1 A 11 11 ASP H H 11 8.306 8.980 -0.674 1
1 47 . 18 1 1 A 11 11 ASP HA H 11 4.589 4.268 0.321 1
1 50 . 18 1 1 A 11 11 ASP C C 11 176.319 177.213 -0.894 1
1 51 . 18 1 1 A 11 11 ASP CA C 11 54.583 57.588 -3.005 1
1 52 . 18 1 1 A 11 11 ASP CB C 11 41.204 40.451 0.753 1
1 53 . 18 1 1 A 11 11 ASP N N 11 121.418 124.776 -3.358 1
1 54 . 18 1 1 A 12 12 ARG H H 12 8.257 7.865 0.392 1
1 55 . 18 1 1 A 12 12 ARG HA H 12 4.408 4.377 0.031 1
1 62 . 18 1 1 A 12 12 ARG C C 12 176.295 175.528 0.767 1
1 63 . 18 1 1 A 12 12 ARG CA C 12 56.088 55.610 0.478 1
1 64 . 18 1 1 A 12 12 ARG CB C 12 30.579 30.420 0.159 1
1 67 . 18 1 1 A 12 12 ARG N N 12 121.271 117.235 4.036 1
1 68 . 18 1 1 A 13 13 THR H H 13 8.189 8.494 -0.305 1
1 69 . 18 1 1 A 13 13 THR HA H 13 4.193 4.736 -0.543 1
1 74 . 18 1 1 A 13 13 THR C C 13 174.121 173.389 0.732 1
1 75 . 18 1 1 A 13 13 THR CA C 13 62.448 61.269 1.179 1
1 76 . 18 1 1 A 13 13 THR CB C 13 69.697 70.207 -0.510 1
1 78 . 18 1 1 A 13 13 THR N N 13 114.810 120.148 -5.338 1
1 79 . 18 1 1 A 14 14 GLN H H 14 8.130 8.651 -0.521 1
1 80 . 18 1 1 A 14 14 GLN HA H 14 4.314 5.156 -0.842 1
1 87 . 18 1 1 A 14 14 GLN C C 14 175.275 174.053 1.222 1
1 88 . 18 1 1 A 14 14 GLN CA C 14 55.253 54.144 1.109 1
1 89 . 18 1 1 A 14 14 GLN CB C 14 29.838 32.318 -2.480 1
1 91 . 18 1 1 A 14 14 GLN N N 14 122.533 128.664 -6.131 1
1 93 . 18 1 1 A 15 15 PHE H H 15 8.151 9.145 -0.994 1
1 94 . 18 1 1 A 15 15 PHE HA H 15 5.009 4.901 0.108 1
1 102 . 18 1 1 A 15 15 PHE C C 15 176.465 174.766 1.699 1
1 103 . 18 1 1 A 15 15 PHE CA C 15 57.157 56.941 0.216 1
1 104 . 18 1 1 A 15 15 PHE CB C 15 40.996 42.558 -1.562 1
1 110 . 18 1 1 A 15 15 PHE N N 15 120.835 124.907 -4.072 1
1 111 . 18 1 1 A 16 16 SER H H 16 9.565 8.851 0.714 1
1 112 . 18 1 1 A 16 16 SER HA H 16 4.610 4.668 -0.058 1
1 115 . 18 1 1 A 16 16 SER C C 16 174.547 175.122 -0.575 1
1 116 . 18 1 1 A 16 16 SER CA C 16 56.946 57.368 -0.422 1
1 117 . 18 1 1 A 16 16 SER CB C 16 65.545 64.033 1.512 1
1 118 . 18 1 1 A 16 16 SER N N 16 119.442 117.583 1.859 1
1 119 . 18 1 1 A 17 17 ASP H H 17 8.947 9.151 -0.204 1
1 120 . 18 1 1 A 17 17 ASP HA H 17 4.386 4.211 0.175 1
1 123 . 18 1 1 A 17 17 ASP C C 17 179.331 177.972 1.359 1
1 124 . 18 1 1 A 17 17 ASP CA C 17 58.074 58.239 -0.165 1
1 125 . 18 1 1 A 17 17 ASP CB C 17 39.875 40.985 -1.110 1
1 126 . 18 1 1 A 17 17 ASP N N 17 120.645 127.340 -6.695 1
1 127 . 18 1 1 A 18 18 ARG H H 18 8.302 8.044 0.258 1
1 128 . 18 1 1 A 18 18 ARG HA H 18 4.098 3.976 0.122 1
1 135 . 18 1 1 A 18 18 ARG C C 18 178.699 178.703 -0.004 1
1 136 . 18 1 1 A 18 18 ARG CA C 18 59.203 59.562 -0.359 1
1 137 . 18 1 1 A 18 18 ARG CB C 18 29.920 29.878 0.042 1
1 140 . 18 1 1 A 18 18 ARG N N 18 121.398 119.062 2.336 1
1 141 . 18 1 1 A 19 19 ASP H H 19 7.853 8.002 -0.149 1
1 142 . 18 1 1 A 19 19 ASP HA H 19 4.151 4.277 -0.126 1
1 145 . 18 1 1 A 19 19 ASP C C 19 178.384 178.632 -0.248 1
1 146 . 18 1 1 A 19 19 ASP CA C 19 57.348 57.158 0.190 1
1 147 . 18 1 1 A 19 19 ASP CB C 19 40.392 40.967 -0.575 1
1 148 . 18 1 1 A 19 19 ASP N N 19 122.636 119.523 3.113 1
1 149 . 18 1 1 A 20 20 LEU H H 20 8.335 8.505 -0.170 1
1 150 . 18 1 1 A 20 20 LEU HA H 20 3.635 3.576 0.059 1
1 160 . 18 1 1 A 20 20 LEU C C 20 179.234 179.005 0.229 1
1 161 . 18 1 1 A 20 20 LEU CA C 20 57.587 57.962 -0.375 1
1 162 . 18 1 1 A 20 20 LEU CB C 20 41.658 41.545 0.113 1
1 166 . 18 1 1 A 20 20 LEU N N 20 118.845 119.815 -0.970 1
1 167 . 18 1 1 A 21 21 ALA H H 21 7.905 8.311 -0.406 1
1 168 . 18 1 1 A 21 21 ALA HA H 21 4.123 4.014 0.109 1
1 172 . 18 1 1 A 21 21 ALA C C 21 181.031 179.860 1.171 1
1 173 . 18 1 1 A 21 21 ALA CA C 21 55.103 55.610 -0.507 1
1 174 . 18 1 1 A 21 21 ALA CB C 21 17.709 18.766 -1.057 1
1 175 . 18 1 1 A 21 21 ALA N N 21 122.007 120.912 1.095 1
1 176 . 18 1 1 A 22 22 THR H H 22 7.886 8.161 -0.275 1
1 177 . 18 1 1 A 22 22 THR HA H 22 3.954 3.734 0.220 1
1 182 . 18 1 1 A 22 22 THR C C 22 175.834 176.380 -0.546 1
1 183 . 18 1 1 A 22 22 THR CA C 22 67.081 67.421 -0.340 1
1 184 . 18 1 1 A 22 22 THR CB C 22 68.253 69.003 -0.750 1
1 186 . 18 1 1 A 22 22 THR N N 22 119.042 113.582 5.460 1
1 187 . 18 1 1 A 23 23 LEU H H 23 8.036 7.771 0.265 1
1 188 . 18 1 1 A 23 23 LEU HA H 23 3.404 3.949 -0.545 1
1 198 . 18 1 1 A 23 23 LEU C C 23 178.335 178.870 -0.535 1
1 199 . 18 1 1 A 23 23 LEU CA C 23 59.230 58.269 0.961 1
1 200 . 18 1 1 A 23 23 LEU CB C 23 39.399 41.428 -2.029 1
1 204 . 18 1 1 A 23 23 LEU N N 23 123.450 119.867 3.583 1
1 205 . 18 1 1 A 24 24 LYS H H 24 8.166 8.429 -0.263 1
1 206 . 18 1 1 A 24 24 LYS HA H 24 4.074 4.104 -0.030 1
1 215 . 18 1 1 A 24 24 LYS C C 24 177.631 178.929 -1.298 1
1 216 . 18 1 1 A 24 24 LYS CA C 24 60.367 59.808 0.559 1
1 217 . 18 1 1 A 24 24 LYS CB C 24 32.554 32.408 0.146 1
1 221 . 18 1 1 A 24 24 LYS N N 24 117.974 118.844 -0.870 1
1 222 . 18 1 1 A 25 25 LYS H H 25 7.837 7.923 -0.086 1
1 223 . 18 1 1 A 25 25 LYS HA H 25 4.205 3.961 0.244 1
1 232 . 18 1 1 A 25 25 LYS C C 25 179.695 178.457 1.238 1
1 233 . 18 1 1 A 25 25 LYS CA C 25 59.704 59.206 0.498 1
1 234 . 18 1 1 A 25 25 LYS CB C 25 31.816 32.029 -0.213 1
1 238 . 18 1 1 A 25 25 LYS N N 25 120.567 119.057 1.510 1
1 239 . 18 1 1 A 26 26 TYR H H 26 8.158 8.069 0.089 1
1 240 . 18 1 1 A 26 26 TYR HA H 26 4.089 4.239 -0.150 1
1 247 . 18 1 1 A 26 26 TYR C C 26 180.035 178.672 1.363 1
1 248 . 18 1 1 A 26 26 TYR CA C 26 63.104 60.325 2.779 1
1 249 . 18 1 1 A 26 26 TYR CB C 26 36.926 38.129 -1.203 1
1 254 . 18 1 1 A 26 26 TYR N N 26 118.591 118.518 0.073 1
1 255 . 18 1 1 A 27 27 TRP H H 27 9.294 8.059 1.235 1
1 256 . 18 1 1 A 27 27 TRP HA H 27 4.349 4.397 -0.048 1
1 265 . 18 1 1 A 27 27 TRP C C 27 179.209 178.343 0.866 1
1 266 . 18 1 1 A 27 27 TRP CA C 27 61.357 60.129 1.228 1
1 267 . 18 1 1 A 27 27 TRP CB C 27 28.481 30.047 -1.566 1
1 273 . 18 1 1 A 27 27 TRP N N 27 125.036 122.295 2.741 1
1 275 . 18 1 1 A 28 28 ASP H H 28 9.354 7.918 1.436 1
1 276 . 18 1 1 A 28 28 ASP HA H 28 4.479 4.647 -0.168 1
1 279 . 18 1 1 A 28 28 ASP C C 28 176.999 176.945 0.054 1
1 280 . 18 1 1 A 28 28 ASP CA C 28 57.024 55.571 1.453 1
1 281 . 18 1 1 A 28 28 ASP CB C 28 39.894 40.983 -1.089 1
1 282 . 18 1 1 A 28 28 ASP N N 28 121.650 118.861 2.789 1
1 283 . 18 1 1 A 29 29 ASN H H 29 7.569 8.332 -0.763 1
1 284 . 18 1 1 A 29 29 ASN HA H 29 4.905 4.924 -0.019 1
1 289 . 18 1 1 A 29 29 ASN C C 29 174.935 175.411 -0.476 1
1 290 . 18 1 1 A 29 29 ASN CA C 29 52.819 52.465 0.354 1
1 291 . 18 1 1 A 29 29 ASN CB C 29 39.320 38.724 0.596 1
1 292 . 18 1 1 A 29 29 ASN N N 29 116.912 117.218 -0.306 1
1 294 . 18 1 1 A 30 30 GLY H H 30 7.695 7.881 -0.186 1
1 295 . 18 1 1 A 30 30 GLY HA2 H 30 3.603 3.759 -0.156 1
1 296 . 18 1 1 A 30 30 GLY HA3 H 30 4.489 3.872 0.617 1
1 297 . 18 1 1 A 30 30 GLY C C 30 174.571 174.436 0.135 1
1 298 . 18 1 1 A 30 30 GLY CA C 30 45.332 45.627 -0.295 1
1 299 . 18 1 1 A 30 30 GLY N N 30 105.356 108.029 -2.673 1
1 300 . 18 1 1 A 31 31 MET H H 31 8.574 7.507 1.067 1
1 301 . 18 1 1 A 31 31 MET HA H 31 4.769 4.531 0.238 1
1 309 . 18 1 1 A 31 31 MET C C 31 173.381 176.257 -2.876 1
1 310 . 18 1 1 A 31 31 MET CA C 31 54.301 54.269 0.032 1
1 311 . 18 1 1 A 31 31 MET CB C 31 31.899 31.561 0.338 1
1 314 . 18 1 1 A 31 31 MET N N 31 125.209 121.037 4.172 1
1 315 . 18 1 1 A 32 32 THR H H 32 7.284 7.432 -0.148 1
1 316 . 18 1 1 A 32 32 THR HA H 32 4.003 3.950 0.053 1
1 321 . 18 1 1 A 32 32 THR C C 32 173.721 174.966 -1.245 1
1 322 . 18 1 1 A 32 32 THR CA C 32 59.873 63.522 -3.649 1
1 323 . 18 1 1 A 32 32 THR CB C 32 69.651 68.668 0.983 1
1 325 . 18 1 1 A 32 32 THR N N 32 108.409 114.586 -6.177 1
1 326 . 18 1 1 A 33 33 SER H H 33 7.809 7.917 -0.108 1
1 327 . 18 1 1 A 33 33 SER HA H 33 4.614 4.777 -0.163 1
1 330 . 18 1 1 A 33 33 SER C C 33 171.608 173.876 -2.268 1
1 331 . 18 1 1 A 33 33 SER CA C 33 56.764 57.169 -0.405 1
1 332 . 18 1 1 A 33 33 SER CB C 33 65.653 65.895 -0.242 1
1 333 . 18 1 1 A 33 33 SER N N 33 115.742 116.059 -0.317 1
1 334 . 18 1 1 A 34 34 LEU H H 34 8.284 8.719 -0.435 1
1 335 . 18 1 1 A 34 34 LEU HA H 34 4.488 4.382 0.106 1
1 345 . 18 1 1 A 34 34 LEU C C 34 178.335 177.598 0.737 1
1 346 . 18 1 1 A 34 34 LEU CA C 34 54.583 56.681 -2.098 1
1 347 . 18 1 1 A 34 34 LEU CB C 34 41.872 42.192 -0.320 1
1 351 . 18 1 1 A 34 34 LEU N N 34 116.566 123.183 -6.617 1
1 352 . 18 1 1 A 35 35 GLY H H 35 8.159 8.067 0.092 1
1 353 . 18 1 1 A 35 35 GLY HA2 H 35 4.239 3.818 0.421 1
1 354 . 18 1 1 A 35 35 GLY HA3 H 35 3.949 3.822 0.127 1
1 355 . 18 1 1 A 35 35 GLY C C 35 175.299 174.767 0.532 1
1 356 . 18 1 1 A 35 35 GLY CA C 35 44.707 47.071 -2.364 1
1 357 . 18 1 1 A 35 35 GLY N N 35 106.688 107.518 -0.830 1
1 358 . 18 1 1 A 36 36 SER HA H 36 4.123 4.648 -0.525 1
1 360 . 18 1 1 A 36 36 SER CA C 36 61.785 59.523 2.262 1
1 361 . 18 1 1 A 36 36 SER CB C 36 62.793 64.962 -2.169 1
1 362 . 18 1 1 A 37 37 VAL HA H 37 4.155 3.709 0.446 1
1 370 . 18 1 1 A 37 37 VAL C C 37 177.048 177.155 -0.107 1
1 371 . 18 1 1 A 37 37 VAL CA C 37 64.423 64.936 -0.513 1
1 372 . 18 1 1 A 37 37 VAL CB C 37 31.486 31.234 0.252 1
1 375 . 18 1 1 A 38 38 CYS H H 38 7.746 7.801 -0.055 1
1 376 . 18 1 1 A 38 38 CYS HA H 38 4.787 4.418 0.369 1
1 379 . 18 1 1 A 38 38 CYS C C 38 174.522 176.741 -2.219 1
1 380 . 18 1 1 A 38 38 CYS CA C 38 59.344 61.011 -1.667 1
1 381 . 18 1 1 A 38 38 CYS CB C 38 29.261 28.613 0.648 1
1 382 . 18 1 1 A 38 38 CYS N N 38 116.501 119.263 -2.762 1
1 383 . 18 1 1 A 39 39 ARG H H 39 7.633 7.781 -0.148 1
1 384 . 18 1 1 A 39 39 ARG HA H 39 3.847 3.933 -0.086 1
1 390 . 18 1 1 A 39 39 ARG C C 39 177.315 178.977 -1.662 1
1 391 . 18 1 1 A 39 39 ARG CA C 39 60.952 59.442 1.510 1
1 392 . 18 1 1 A 39 39 ARG CB C 39 30.332 29.998 0.334 1
1 395 . 18 1 1 A 39 39 ARG N N 39 122.520 122.580 -0.060 1
1 396 . 18 1 1 A 40 40 GLU H H 40 8.827 8.202 0.625 1
1 397 . 18 1 1 A 40 40 GLU HA H 40 4.070 3.970 0.100 1
1 402 . 18 1 1 A 40 40 GLU C C 40 179.719 179.279 0.440 1
1 403 . 18 1 1 A 40 40 GLU CA C 40 60.065 59.281 0.784 1
1 404 . 18 1 1 A 40 40 GLU CB C 40 29.094 29.108 -0.014 1
1 406 . 18 1 1 A 40 40 GLU N N 40 116.909 117.677 -0.768 1
1 407 . 18 1 1 A 41 41 LYS H H 41 7.660 7.695 -0.035 1
1 408 . 18 1 1 A 41 41 LYS HA H 41 4.293 3.882 0.411 1
1 416 . 18 1 1 A 41 41 LYS C C 41 176.854 178.957 -2.103 1
1 417 . 18 1 1 A 41 41 LYS CA C 41 59.908 58.965 0.943 1
1 418 . 18 1 1 A 41 41 LYS CB C 41 33.704 32.417 1.287 1
1 422 . 18 1 1 A 41 41 LYS N N 41 120.497 119.359 1.138 1
1 423 . 18 1 1 A 42 42 ILE H H 42 8.050 7.831 0.219 1
1 424 . 18 1 1 A 42 42 ILE HA H 42 3.756 3.492 0.264 1
1 434 . 18 1 1 A 42 42 ILE C C 42 177.607 177.884 -0.277 1
1 435 . 18 1 1 A 42 42 ILE CA C 42 65.460 65.171 0.289 1
1 436 . 18 1 1 A 42 42 ILE CB C 42 38.516 37.724 0.792 1
1 440 . 18 1 1 A 42 42 ILE N N 42 119.276 120.768 -1.492 1
1 441 . 18 1 1 A 43 43 GLU H H 43 8.142 8.236 -0.094 1
1 442 . 18 1 1 A 43 43 GLU HA H 43 4.011 4.015 -0.004 1
1 447 . 18 1 1 A 43 43 GLU C C 43 179.477 178.409 1.068 1
1 448 . 18 1 1 A 43 43 GLU CA C 43 59.340 59.203 0.137 1
1 449 . 18 1 1 A 43 43 GLU CB C 43 29.425 29.339 0.086 1
1 451 . 18 1 1 A 43 43 GLU N N 43 116.432 119.867 -3.435 1
1 452 . 18 1 1 A 44 44 ALA H H 44 8.053 7.961 0.092 1
1 453 . 18 1 1 A 44 44 ALA HA H 44 4.217 4.220 -0.003 1
1 457 . 18 1 1 A 44 44 ALA C C 44 180.958 179.059 1.899 1
1 458 . 18 1 1 A 44 44 ALA CA C 44 55.453 54.609 0.844 1
1 459 . 18 1 1 A 44 44 ALA CB C 44 18.553 19.568 -1.015 1
1 460 . 18 1 1 A 44 44 ALA N N 44 122.819 122.726 0.093 1
1 461 . 18 1 1 A 45 45 VAL H H 45 8.400 7.486 0.914 1
1 462 . 18 1 1 A 45 45 VAL HA H 45 3.530 3.801 -0.271 1
1 470 . 18 1 1 A 45 45 VAL C C 45 176.465 177.228 -0.763 1
1 471 . 18 1 1 A 45 45 VAL CA C 45 65.075 64.783 0.292 1
1 472 . 18 1 1 A 45 45 VAL CB C 45 29.673 31.111 -1.438 1
1 475 . 18 1 1 A 45 45 VAL N N 45 120.862 117.032 3.830 1
1 476 . 18 1 1 A 46 46 ALA H H 46 8.225 7.973 0.252 1
1 477 . 18 1 1 A 46 46 ALA HA H 46 3.787 4.082 -0.295 1
1 481 . 18 1 1 A 46 46 ALA C C 46 180.205 179.590 0.615 1
1 482 . 18 1 1 A 46 46 ALA CA C 46 55.753 55.218 0.535 1
1 483 . 18 1 1 A 46 46 ALA CB C 46 18.516 18.540 -0.024 1
1 484 . 18 1 1 A 46 46 ALA N N 46 125.827 123.909 1.918 1
1 485 . 18 1 1 A 47 47 THR H H 47 7.850 7.483 0.367 1
1 486 . 18 1 1 A 47 47 THR HA H 47 4.084 4.007 0.077 1
1 491 . 18 1 1 A 47 47 THR C C 47 177.339 176.512 0.827 1
1 492 . 18 1 1 A 47 47 THR CA C 47 66.492 64.670 1.822 1
1 493 . 18 1 1 A 47 47 THR CB C 47 68.772 68.921 -0.149 1
1 495 . 18 1 1 A 47 47 THR N N 47 113.467 112.395 1.072 1
1 496 . 18 1 1 A 48 48 GLU H H 48 8.050 8.252 -0.202 1
1 497 . 18 1 1 A 48 48 GLU HA H 48 4.001 4.105 -0.104 1
1 502 . 18 1 1 A 48 48 GLU C C 48 178.457 178.189 0.268 1
1 503 . 18 1 1 A 48 48 GLU CA C 48 60.174 58.641 1.533 1
1 504 . 18 1 1 A 48 48 GLU CB C 48 29.719 29.728 -0.009 1
1 506 . 18 1 1 A 48 48 GLU N N 48 123.295 120.905 2.390 1
1 507 . 18 1 1 A 49 49 LEU H H 49 8.198 7.660 0.538 1
1 508 . 18 1 1 A 49 49 LEU HA H 49 4.215 4.305 -0.090 1
1 518 . 18 1 1 A 49 49 LEU C C 49 176.344 176.043 0.301 1
1 519 . 18 1 1 A 49 49 LEU CA C 49 55.050 54.815 0.235 1
1 520 . 18 1 1 A 49 49 LEU CB C 49 42.861 41.867 0.994 1
1 524 . 18 1 1 A 49 49 LEU N N 49 115.963 118.115 -2.152 1
1 525 . 18 1 1 A 50 50 ASN H H 50 8.008 7.739 0.269 1
1 526 . 18 1 1 A 50 50 ASN HA H 50 4.411 4.312 0.099 1
1 531 . 18 1 1 A 50 50 ASN C C 50 174.522 173.703 0.819 1
1 532 . 18 1 1 A 50 50 ASN CA C 50 54.159 54.437 -0.278 1
1 533 . 18 1 1 A 50 50 ASN CB C 50 37.446 36.541 0.905 1
1 534 . 18 1 1 A 50 50 ASN N N 50 118.398 116.201 2.197 1
1 536 . 18 1 1 A 51 51 VAL H H 51 8.240 7.541 0.699 1
1 537 . 18 1 1 A 51 51 VAL HA H 51 4.792 4.846 -0.054 1
1 545 . 18 1 1 A 51 51 VAL C C 51 174.619 174.948 -0.329 1
1 546 . 18 1 1 A 51 51 VAL CA C 51 58.674 58.833 -0.159 1
1 547 . 18 1 1 A 51 51 VAL CB C 51 36.102 35.292 0.810 1
1 550 . 18 1 1 A 51 51 VAL N N 51 110.142 111.365 -1.223 1
1 551 . 18 1 1 A 52 52 ASP H H 52 8.164 8.672 -0.508 1
1 552 . 18 1 1 A 52 52 ASP HA H 52 4.597 4.568 0.029 1
1 555 . 18 1 1 A 52 52 ASP C C 52 178.262 178.497 -0.235 1
1 556 . 18 1 1 A 52 52 ASP CA C 52 54.423 55.086 -0.663 1
1 557 . 18 1 1 A 52 52 ASP CB C 52 43.200 40.881 2.319 1
1 558 . 18 1 1 A 52 52 ASP N N 52 120.019 123.822 -3.803 1
1 559 . 18 1 1 A 53 53 CYS H H 53 8.967 9.070 -0.103 1
1 560 . 18 1 1 A 53 53 CYS HA H 53 3.862 4.079 -0.217 1
1 563 . 18 1 1 A 53 53 CYS C C 53 176.975 177.053 -0.078 1
1 564 . 18 1 1 A 53 53 CYS CA C 53 63.438 62.371 1.067 1
1 565 . 18 1 1 A 53 53 CYS CB C 53 27.358 27.473 -0.115 1
1 566 . 18 1 1 A 53 53 CYS N N 53 122.121 123.770 -1.649 1
1 567 . 18 1 1 A 54 54 GLU H H 54 9.357 8.201 1.156 1
1 568 . 18 1 1 A 54 54 GLU HA H 54 4.083 4.013 0.070 1
1 573 . 18 1 1 A 54 54 GLU C C 54 179.064 179.298 -0.234 1
1 574 . 18 1 1 A 54 54 GLU CA C 54 59.626 59.484 0.142 1
1 575 . 18 1 1 A 54 54 GLU CB C 54 29.178 29.373 -0.195 1
1 577 . 18 1 1 A 54 54 GLU N N 54 120.121 120.726 -0.605 1
1 578 . 18 1 1 A 55 55 ILE H H 55 7.650 8.407 -0.757 1
1 579 . 18 1 1 A 55 55 ILE HA H 55 4.005 3.816 0.189 1
1 589 . 18 1 1 A 55 55 ILE C C 55 179.331 178.780 0.551 1
1 590 . 18 1 1 A 55 55 ILE CA C 55 63.558 65.544 -1.986 1
1 591 . 18 1 1 A 55 55 ILE CB C 55 36.988 38.031 -1.043 1
1 595 . 18 1 1 A 55 55 ILE N N 55 119.061 121.094 -2.033 1
1 596 . 18 1 1 A 56 56 VAL H H 56 6.973 7.799 -0.826 1
1 597 . 18 1 1 A 56 56 VAL HA H 56 3.651 3.657 -0.006 1
1 605 . 18 1 1 A 56 56 VAL C C 56 177.874 178.094 -0.220 1
1 606 . 18 1 1 A 56 56 VAL CA C 56 66.847 66.581 0.266 1
1 607 . 18 1 1 A 56 56 VAL CB C 56 31.486 31.720 -0.234 1
1 610 . 18 1 1 A 56 56 VAL N N 56 121.206 120.541 0.665 1
1 611 . 18 1 1 A 57 57 ARG H H 57 8.508 8.448 0.060 1
1 612 . 18 1 1 A 57 57 ARG HA H 57 3.928 4.113 -0.185 1
1 618 . 18 1 1 A 57 57 ARG C C 57 179.282 179.090 0.192 1
1 619 . 18 1 1 A 57 57 ARG CA C 57 61.095 59.994 1.101 1
1 620 . 18 1 1 A 57 57 ARG CB C 57 30.261 29.994 0.267 1
1 623 . 18 1 1 A 57 57 ARG N N 57 118.801 119.271 -0.470 1
1 624 . 18 1 1 A 58 58 THR H H 58 8.528 8.307 0.221 1
1 625 . 18 1 1 A 58 58 THR HA H 58 4.013 4.011 0.002 1
1 630 . 18 1 1 A 58 58 THR C C 58 175.518 176.220 -0.702 1
1 631 . 18 1 1 A 58 58 THR CA C 58 66.879 66.412 0.467 1
1 632 . 18 1 1 A 58 58 THR CB C 58 68.826 68.451 0.375 1
1 634 . 18 1 1 A 58 58 THR N N 58 117.805 117.862 -0.057 1
1 635 . 18 1 1 A 59 59 TRP H H 59 7.904 8.121 -0.217 1
1 636 . 18 1 1 A 59 59 TRP HA H 59 4.228 4.410 -0.182 1
1 645 . 18 1 1 A 59 59 TRP C C 59 179.015 178.626 0.389 1
1 646 . 18 1 1 A 59 59 TRP CA C 59 63.377 61.440 1.937 1
1 647 . 18 1 1 A 59 59 TRP CB C 59 28.280 29.747 -1.467 1
1 653 . 18 1 1 A 59 59 TRP N N 59 124.326 124.324 0.002 1
1 655 . 18 1 1 A 60 60 ILE H H 60 8.799 8.312 0.487 1
1 656 . 18 1 1 A 60 60 ILE HA H 60 3.461 3.553 -0.092 1
1 666 . 18 1 1 A 60 60 ILE C C 60 178.481 177.912 0.569 1
1 667 . 18 1 1 A 60 60 ILE CA C 60 65.878 65.148 0.730 1
1 668 . 18 1 1 A 60 60 ILE CB C 60 39.399 38.206 1.193 1
1 672 . 18 1 1 A 60 60 ILE N N 60 119.831 119.725 0.106 1
1 673 . 18 1 1 A 61 61 GLY H H 61 8.659 7.915 0.744 1
1 674 . 18 1 1 A 61 61 GLY HA2 H 61 3.705 3.794 -0.089 1
1 675 . 18 1 1 A 61 61 GLY HA3 H 61 4.118 3.800 0.318 1
1 676 . 18 1 1 A 61 61 GLY C C 61 176.878 175.947 0.931 1
1 677 . 18 1 1 A 61 61 GLY CA C 61 47.388 47.368 0.020 1
1 678 . 18 1 1 A 61 61 GLY N N 61 106.205 107.990 -1.785 1
1 679 . 18 1 1 A 62 62 ASN H H 62 8.408 7.799 0.609 1
1 680 . 18 1 1 A 62 62 ASN HA H 62 4.452 4.337 0.115 1
1 685 . 18 1 1 A 62 62 ASN C C 62 177.461 177.617 -0.156 1
1 686 . 18 1 1 A 62 62 ASN CA C 62 55.480 55.826 -0.346 1
1 687 . 18 1 1 A 62 62 ASN CB C 62 37.951 37.781 0.170 1
1 688 . 18 1 1 A 62 62 ASN N N 62 120.644 119.922 0.722 1
1 690 . 18 1 1 A 63 63 ARG H H 63 7.816 7.645 0.171 1
1 691 . 18 1 1 A 63 63 ARG HA H 63 3.544 3.610 -0.066 1
1 698 . 18 1 1 A 63 63 ARG C C 63 178.189 178.160 0.029 1
1 699 . 18 1 1 A 63 63 ARG CA C 63 59.219 59.238 -0.019 1
1 700 . 18 1 1 A 63 63 ARG CB C 63 29.077 29.601 -0.524 1
1 703 . 18 1 1 A 63 63 ARG N N 63 124.207 120.141 4.066 1
1 704 . 18 1 1 A 64 64 ARG H H 64 8.578 8.222 0.356 1
1 705 . 18 1 1 A 64 64 ARG HA H 64 4.057 4.267 -0.210 1
1 712 . 18 1 1 A 64 64 ARG C C 64 179.039 178.503 0.536 1
1 713 . 18 1 1 A 64 64 ARG CA C 64 60.190 59.855 0.335 1
1 714 . 18 1 1 A 64 64 ARG CB C 64 30.579 30.043 0.536 1
1 717 . 18 1 1 A 64 64 ARG N N 64 117.839 117.878 -0.039 1
1 718 . 18 1 1 A 65 65 ARG H H 65 7.712 7.737 -0.025 1
1 719 . 18 1 1 A 65 65 ARG HA H 65 4.091 4.017 0.074 1
1 726 . 18 1 1 A 65 65 ARG C C 65 178.214 179.178 -0.964 1
1 727 . 18 1 1 A 65 65 ARG CA C 65 59.556 59.358 0.198 1
1 728 . 18 1 1 A 65 65 ARG CB C 65 30.167 29.823 0.344 1
1 731 . 18 1 1 A 65 65 ARG N N 65 118.827 120.096 -1.269 1
1 732 . 18 1 1 A 66 66 LYS H H 66 7.848 7.551 0.297 1
1 733 . 18 1 1 A 66 66 LYS HA H 66 3.997 4.021 -0.024 1
1 741 . 18 1 1 A 66 66 LYS C C 66 178.481 179.457 -0.976 1
1 742 . 18 1 1 A 66 66 LYS CA C 66 59.110 58.494 0.616 1
1 743 . 18 1 1 A 66 66 LYS CB C 66 32.226 31.872 0.354 1
1 747 . 18 1 1 A 66 66 LYS N N 66 120.251 118.420 1.831 1
1 748 . 18 1 1 A 67 67 TYR H H 67 8.324 8.130 0.194 1
1 749 . 18 1 1 A 67 67 TYR HA H 67 4.274 4.269 0.005 1
1 756 . 18 1 1 A 67 67 TYR C C 67 177.412 178.242 -0.830 1
1 757 . 18 1 1 A 67 67 TYR CA C 67 60.576 61.172 -0.596 1
1 758 . 18 1 1 A 67 67 TYR CB C 67 37.043 37.962 -0.919 1
1 763 . 18 1 1 A 67 67 TYR N N 67 118.725 119.125 -0.400 1
1 764 . 18 1 1 A 68 68 ARG H H 68 8.084 8.256 -0.172 1
1 765 . 18 1 1 A 68 68 ARG HA H 68 4.218 4.146 0.072 1
1 772 . 18 1 1 A 68 68 ARG C C 68 179.209 178.786 0.423 1
1 773 . 18 1 1 A 68 68 ARG CA C 68 58.616 59.364 -0.748 1
1 774 . 18 1 1 A 68 68 ARG CB C 68 29.343 30.089 -0.746 1
1 777 . 18 1 1 A 68 68 ARG N N 68 119.763 120.262 -0.499 1
1 778 . 18 1 1 A 69 69 LEU H H 69 8.168 8.065 0.103 1
1 779 . 18 1 1 A 69 69 LEU HA H 69 4.244 4.019 0.225 1
1 789 . 18 1 1 A 69 69 LEU C C 69 178.457 179.214 -0.757 1
1 790 . 18 1 1 A 69 69 LEU CA C 69 56.981 57.960 -0.979 1
1 791 . 18 1 1 A 69 69 LEU CB C 69 41.955 41.439 0.516 1
1 795 . 18 1 1 A 69 69 LEU N N 69 120.874 119.738 1.136 1
1 796 . 18 1 1 A 70 70 MET H H 70 7.942 7.404 0.538 1
1 797 . 18 1 1 A 70 70 MET HA H 70 4.440 4.471 -0.031 1
1 805 . 18 1 1 A 70 70 MET C C 70 176.417 176.336 0.081 1
1 806 . 18 1 1 A 70 70 MET CA C 70 55.958 55.824 0.134 1
1 807 . 18 1 1 A 70 70 MET CB C 70 33.711 33.045 0.666 1
1 810 . 18 1 1 A 70 70 MET N N 70 117.335 116.154 1.181 1
1 811 . 18 1 1 A 71 71 GLY H H 71 8.107 7.896 0.211 1
1 812 . 18 1 1 A 71 71 GLY HA2 H 71 3.906 4.019 -0.113 1
1 813 . 18 1 1 A 71 71 GLY HA3 H 71 4.055 4.021 0.034 1
1 814 . 18 1 1 A 71 71 GLY C C 71 174.255 174.409 -0.154 1
1 815 . 18 1 1 A 71 71 GLY CA C 71 45.852 46.225 -0.373 1
1 816 . 18 1 1 A 71 71 GLY N N 71 109.096 107.180 1.916 1
1 817 . 18 1 1 A 72 72 ILE H H 72 8.036 7.894 0.142 1
1 818 . 18 1 1 A 72 72 ILE HA H 72 4.197 4.292 -0.095 1
1 828 . 18 1 1 A 72 72 ILE C C 72 175.712 176.300 -0.588 1
1 829 . 18 1 1 A 72 72 ILE CA C 72 60.626 60.364 0.262 1
1 830 . 18 1 1 A 72 72 ILE CB C 72 39.203 39.463 -0.260 1
1 834 . 18 1 1 A 72 72 ILE N N 72 120.615 120.912 -0.297 1
1 835 . 18 1 1 A 73 73 GLU H H 73 8.523 8.837 -0.314 1
1 836 . 18 1 1 A 73 73 GLU HA H 73 4.306 4.365 -0.059 1
1 841 . 18 1 1 A 73 73 GLU C C 73 176.417 175.983 0.434 1
1 842 . 18 1 1 A 73 73 GLU CA C 73 56.551 56.314 0.237 1
1 843 . 18 1 1 A 73 73 GLU CB C 73 30.167 28.854 1.313 1
1 845 . 18 1 1 A 73 73 GLU N N 73 125.837 125.123 0.714 1
1 846 . 18 1 1 A 74 74 VAL H H 74 8.319 7.958 0.361 1
1 847 . 18 1 1 A 74 74 VAL HA H 74 4.187 4.150 0.037 1
1 855 . 18 1 1 A 74 74 VAL C C 74 176.052 174.913 1.139 1
1 856 . 18 1 1 A 74 74 VAL CA C 74 62.103 62.430 -0.327 1
1 857 . 18 1 1 A 74 74 VAL CB C 74 33.063 32.619 0.444 1
1 860 . 18 1 1 A 74 74 VAL N N 74 122.642 121.360 1.282 1
1 861 . 18 1 1 A 75 75 SER H H 75 8.460 8.462 -0.002 1
1 862 . 18 1 1 A 75 75 SER HA H 75 4.469 5.142 -0.673 1
1 865 . 18 1 1 A 75 75 SER C C 75 174.547 173.631 0.916 1
1 866 . 18 1 1 A 75 75 SER CA C 75 58.413 56.309 2.104 1
1 867 . 18 1 1 A 75 75 SER CB C 75 64.015 65.706 -1.691 1
1 868 . 18 1 1 A 75 75 SER N N 75 120.411 119.197 1.214 1
1 869 . 18 1 1 A 76 76 GLY H H 76 8.307 8.140 0.167 1
1 870 . 18 1 1 A 76 76 GLY HA2 H 76 4.096 3.916 0.180 1
1 871 . 18 1 1 A 76 76 GLY C C 76 171.729 174.438 -2.709 1
1 872 . 18 1 1 A 76 76 GLY CA C 76 44.566 45.443 -0.877 1
1 873 . 18 1 1 A 76 76 GLY N N 76 110.975 107.450 3.525 1
1 874 . 18 1 1 A 77 77 PRO HA H 77 4.508 4.391 0.117 1
1 880 . 18 1 1 A 77 77 PRO CA C 77 63.054 64.212 -1.158 1
1 881 . 18 1 1 A 77 77 PRO CB C 77 32.299 31.743 0.556 1
1 884 . 18 1 1 A 79 79 SER HA H 79 4.507 4.627 -0.120 1
1 887 . 18 1 1 A 79 79 SER C C 79 173.939 175.248 -1.309 1
1 888 . 18 1 1 A 79 79 SER CA C 79 58.427 59.579 -1.152 1
1 889 . 18 1 1 A 79 79 SER CB C 79 64.293 64.323 -0.030 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.969 4.148 -0.179 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.969 4.149 -0.180 1
1 3 . 19 1 1 A 7 7 GLY C C 7 173.939 175.012 -1.073 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.342 45.342 0.000 1
1 5 . 19 1 1 A 8 8 ALA H H 8 8.128 8.769 -0.641 1
1 6 . 19 1 1 A 8 8 ALA HA H 8 4.329 4.026 0.303 1
1 10 . 19 1 1 A 8 8 ALA C C 8 177.971 177.277 0.694 1
1 11 . 19 1 1 A 8 8 ALA CA C 8 52.565 55.100 -2.535 1
1 12 . 19 1 1 A 8 8 ALA CB C 8 19.287 18.801 0.486 1
1 13 . 19 1 1 A 8 8 ALA N N 8 123.703 127.423 -3.720 1
1 14 . 19 1 1 A 9 9 LEU H H 9 8.240 8.064 0.176 1
1 15 . 19 1 1 A 9 9 LEU HA H 9 4.304 4.853 -0.549 1
1 25 . 19 1 1 A 9 9 LEU C C 9 177.655 175.455 2.200 1
1 26 . 19 1 1 A 9 9 LEU CA C 9 55.570 53.364 2.206 1
1 27 . 19 1 1 A 9 9 LEU CB C 9 42.202 44.148 -1.946 1
1 31 . 19 1 1 A 9 9 LEU N N 9 121.161 117.096 4.065 1
1 32 . 19 1 1 A 10 10 GLN H H 10 8.305 8.599 -0.294 1
1 33 . 19 1 1 A 10 10 GLN HA H 10 4.313 4.481 -0.168 1
1 40 . 19 1 1 A 10 10 GLN C C 10 175.737 174.382 1.355 1
1 41 . 19 1 1 A 10 10 GLN CA C 10 56.099 55.065 1.034 1
1 42 . 19 1 1 A 10 10 GLN CB C 10 29.425 28.931 0.494 1
1 44 . 19 1 1 A 10 10 GLN N N 10 120.538 122.546 -2.008 1
1 46 . 19 1 1 A 11 11 ASP H H 11 8.306 8.874 -0.568 1
1 47 . 19 1 1 A 11 11 ASP HA H 11 4.589 5.225 -0.636 1
1 50 . 19 1 1 A 11 11 ASP C C 11 176.319 175.028 1.291 1
1 51 . 19 1 1 A 11 11 ASP CA C 11 54.583 52.709 1.874 1
1 52 . 19 1 1 A 11 11 ASP CB C 11 41.204 43.166 -1.962 1
1 53 . 19 1 1 A 11 11 ASP N N 11 121.418 128.191 -6.773 1
1 54 . 19 1 1 A 12 12 ARG H H 12 8.257 8.637 -0.380 1
1 55 . 19 1 1 A 12 12 ARG HA H 12 4.408 4.375 0.033 1
1 62 . 19 1 1 A 12 12 ARG C C 12 176.295 175.921 0.374 1
1 63 . 19 1 1 A 12 12 ARG CA C 12 56.088 56.401 -0.313 1
1 64 . 19 1 1 A 12 12 ARG CB C 12 30.579 30.713 -0.134 1
1 67 . 19 1 1 A 12 12 ARG N N 12 121.271 128.502 -7.231 1
1 68 . 19 1 1 A 13 13 THR H H 13 8.189 8.462 -0.273 1
1 69 . 19 1 1 A 13 13 THR HA H 13 4.193 4.592 -0.399 1
1 74 . 19 1 1 A 13 13 THR C C 13 174.121 172.801 1.320 1
1 75 . 19 1 1 A 13 13 THR CA C 13 62.448 62.026 0.422 1
1 76 . 19 1 1 A 13 13 THR CB C 13 69.697 69.415 0.282 1
1 78 . 19 1 1 A 13 13 THR N N 13 114.810 119.748 -4.938 1
1 79 . 19 1 1 A 14 14 GLN H H 14 8.130 8.799 -0.669 1
1 80 . 19 1 1 A 14 14 GLN HA H 14 4.314 4.850 -0.536 1
1 87 . 19 1 1 A 14 14 GLN C C 14 175.275 174.753 0.522 1
1 88 . 19 1 1 A 14 14 GLN CA C 14 55.253 53.795 1.458 1
1 89 . 19 1 1 A 14 14 GLN CB C 14 29.838 31.861 -2.023 1
1 91 . 19 1 1 A 14 14 GLN N N 14 122.533 126.967 -4.434 1
1 93 . 19 1 1 A 15 15 PHE H H 15 8.151 9.036 -0.885 1
1 94 . 19 1 1 A 15 15 PHE HA H 15 5.009 4.676 0.333 1
1 102 . 19 1 1 A 15 15 PHE C C 15 176.465 175.812 0.653 1
1 103 . 19 1 1 A 15 15 PHE CA C 15 57.157 58.094 -0.937 1
1 104 . 19 1 1 A 15 15 PHE CB C 15 40.996 39.801 1.195 1
1 110 . 19 1 1 A 15 15 PHE N N 15 120.835 127.338 -6.503 1
1 111 . 19 1 1 A 16 16 SER H H 16 9.565 9.268 0.297 1
1 112 . 19 1 1 A 16 16 SER HA H 16 4.610 4.631 -0.021 1
1 115 . 19 1 1 A 16 16 SER C C 16 174.547 175.597 -1.050 1
1 116 . 19 1 1 A 16 16 SER CA C 16 56.946 57.704 -0.758 1
1 117 . 19 1 1 A 16 16 SER CB C 16 65.545 64.562 0.983 1
1 118 . 19 1 1 A 16 16 SER N N 16 119.442 118.912 0.530 1
1 119 . 19 1 1 A 17 17 ASP H H 17 8.947 9.034 -0.087 1
1 120 . 19 1 1 A 17 17 ASP HA H 17 4.386 4.275 0.111 1
1 123 . 19 1 1 A 17 17 ASP C C 17 179.331 178.255 1.076 1
1 124 . 19 1 1 A 17 17 ASP CA C 17 58.074 58.074 0.000 1
1 125 . 19 1 1 A 17 17 ASP CB C 17 39.875 40.197 -0.322 1
1 126 . 19 1 1 A 17 17 ASP N N 17 120.645 125.007 -4.362 1
1 127 . 19 1 1 A 18 18 ARG H H 18 8.302 7.958 0.344 1
1 128 . 19 1 1 A 18 18 ARG HA H 18 4.098 4.046 0.052 1
1 135 . 19 1 1 A 18 18 ARG C C 18 178.699 178.856 -0.157 1
1 136 . 19 1 1 A 18 18 ARG CA C 18 59.203 59.194 0.009 1
1 137 . 19 1 1 A 18 18 ARG CB C 18 29.920 30.190 -0.270 1
1 140 . 19 1 1 A 18 18 ARG N N 18 121.398 119.920 1.478 1
1 141 . 19 1 1 A 19 19 ASP H H 19 7.853 8.221 -0.368 1
1 142 . 19 1 1 A 19 19 ASP HA H 19 4.151 4.317 -0.166 1
1 145 . 19 1 1 A 19 19 ASP C C 19 178.384 178.907 -0.523 1
1 146 . 19 1 1 A 19 19 ASP CA C 19 57.348 57.222 0.126 1
1 147 . 19 1 1 A 19 19 ASP CB C 19 40.392 40.679 -0.287 1
1 148 . 19 1 1 A 19 19 ASP N N 19 122.636 120.166 2.470 1
1 149 . 19 1 1 A 20 20 LEU H H 20 8.335 8.477 -0.142 1
1 150 . 19 1 1 A 20 20 LEU HA H 20 3.635 3.616 0.019 1
1 160 . 19 1 1 A 20 20 LEU C C 20 179.234 178.478 0.756 1
1 161 . 19 1 1 A 20 20 LEU CA C 20 57.587 57.794 -0.207 1
1 162 . 19 1 1 A 20 20 LEU CB C 20 41.658 41.365 0.293 1
1 166 . 19 1 1 A 20 20 LEU N N 20 118.845 120.111 -1.266 1
1 167 . 19 1 1 A 21 21 ALA H H 21 7.905 8.408 -0.503 1
1 168 . 19 1 1 A 21 21 ALA HA H 21 4.123 4.021 0.102 1
1 172 . 19 1 1 A 21 21 ALA C C 21 181.031 179.819 1.212 1
1 173 . 19 1 1 A 21 21 ALA CA C 21 55.103 55.556 -0.453 1
1 174 . 19 1 1 A 21 21 ALA CB C 21 17.709 18.739 -1.030 1
1 175 . 19 1 1 A 21 21 ALA N N 21 122.007 120.472 1.535 1
1 176 . 19 1 1 A 22 22 THR H H 22 7.886 7.618 0.268 1
1 177 . 19 1 1 A 22 22 THR HA H 22 3.954 3.795 0.159 1
1 182 . 19 1 1 A 22 22 THR C C 22 175.834 176.389 -0.555 1
1 183 . 19 1 1 A 22 22 THR CA C 22 67.081 67.524 -0.443 1
1 184 . 19 1 1 A 22 22 THR CB C 22 68.253 69.032 -0.779 1
1 186 . 19 1 1 A 22 22 THR N N 22 119.042 113.996 5.046 1
1 187 . 19 1 1 A 23 23 LEU H H 23 8.036 7.725 0.311 1
1 188 . 19 1 1 A 23 23 LEU HA H 23 3.404 3.818 -0.414 1
1 198 . 19 1 1 A 23 23 LEU C C 23 178.335 178.721 -0.386 1
1 199 . 19 1 1 A 23 23 LEU CA C 23 59.230 58.143 1.087 1
1 200 . 19 1 1 A 23 23 LEU CB C 23 39.399 41.218 -1.819 1
1 204 . 19 1 1 A 23 23 LEU N N 23 123.450 120.047 3.403 1
1 205 . 19 1 1 A 24 24 LYS H H 24 8.166 8.213 -0.047 1
1 206 . 19 1 1 A 24 24 LYS HA H 24 4.074 4.124 -0.050 1
1 215 . 19 1 1 A 24 24 LYS C C 24 177.631 179.085 -1.454 1
1 216 . 19 1 1 A 24 24 LYS CA C 24 60.367 60.466 -0.099 1
1 217 . 19 1 1 A 24 24 LYS CB C 24 32.554 32.394 0.160 1
1 221 . 19 1 1 A 24 24 LYS N N 24 117.974 116.994 0.980 1
1 222 . 19 1 1 A 25 25 LYS H H 25 7.837 7.913 -0.076 1
1 223 . 19 1 1 A 25 25 LYS HA H 25 4.205 4.029 0.176 1
1 232 . 19 1 1 A 25 25 LYS C C 25 179.695 178.551 1.144 1
1 233 . 19 1 1 A 25 25 LYS CA C 25 59.704 59.339 0.365 1
1 234 . 19 1 1 A 25 25 LYS CB C 25 31.816 32.223 -0.407 1
1 238 . 19 1 1 A 25 25 LYS N N 25 120.567 120.063 0.504 1
1 239 . 19 1 1 A 26 26 TYR H H 26 8.158 8.009 0.149 1
1 240 . 19 1 1 A 26 26 TYR HA H 26 4.089 4.192 -0.103 1
1 247 . 19 1 1 A 26 26 TYR C C 26 180.035 178.852 1.183 1
1 248 . 19 1 1 A 26 26 TYR CA C 26 63.104 60.162 2.942 1
1 249 . 19 1 1 A 26 26 TYR CB C 26 36.926 37.844 -0.918 1
1 254 . 19 1 1 A 26 26 TYR N N 26 118.591 118.191 0.400 1
1 255 . 19 1 1 A 27 27 TRP H H 27 9.294 8.222 1.072 1
1 256 . 19 1 1 A 27 27 TRP HA H 27 4.349 4.393 -0.044 1
1 265 . 19 1 1 A 27 27 TRP C C 27 179.209 178.615 0.594 1
1 266 . 19 1 1 A 27 27 TRP CA C 27 61.357 60.524 0.833 1
1 267 . 19 1 1 A 27 27 TRP CB C 27 28.481 29.943 -1.462 1
1 273 . 19 1 1 A 27 27 TRP N N 27 125.036 122.379 2.657 1
1 275 . 19 1 1 A 28 28 ASP H H 28 9.354 8.142 1.212 1
1 276 . 19 1 1 A 28 28 ASP HA H 28 4.479 4.658 -0.179 1
1 279 . 19 1 1 A 28 28 ASP C C 28 176.999 176.962 0.037 1
1 280 . 19 1 1 A 28 28 ASP CA C 28 57.024 55.681 1.343 1
1 281 . 19 1 1 A 28 28 ASP CB C 28 39.894 40.748 -0.854 1
1 282 . 19 1 1 A 28 28 ASP N N 28 121.650 119.164 2.486 1
1 283 . 19 1 1 A 29 29 ASN H H 29 7.569 8.344 -0.775 1
1 284 . 19 1 1 A 29 29 ASN HA H 29 4.905 4.936 -0.031 1
1 289 . 19 1 1 A 29 29 ASN C C 29 174.935 175.402 -0.467 1
1 290 . 19 1 1 A 29 29 ASN CA C 29 52.819 52.461 0.358 1
1 291 . 19 1 1 A 29 29 ASN CB C 29 39.320 38.675 0.645 1
1 292 . 19 1 1 A 29 29 ASN N N 29 116.912 117.238 -0.326 1
1 294 . 19 1 1 A 30 30 GLY H H 30 7.695 7.549 0.146 1
1 295 . 19 1 1 A 30 30 GLY HA2 H 30 3.603 3.767 -0.164 1
1 296 . 19 1 1 A 30 30 GLY HA3 H 30 4.489 3.860 0.629 1
1 297 . 19 1 1 A 30 30 GLY C C 30 174.571 174.265 0.306 1
1 298 . 19 1 1 A 30 30 GLY CA C 30 45.332 45.392 -0.060 1
1 299 . 19 1 1 A 30 30 GLY N N 30 105.356 108.052 -2.696 1
1 300 . 19 1 1 A 31 31 MET H H 31 8.574 7.635 0.939 1
1 301 . 19 1 1 A 31 31 MET HA H 31 4.769 4.467 0.302 1
1 309 . 19 1 1 A 31 31 MET C C 31 173.381 176.199 -2.818 1
1 310 . 19 1 1 A 31 31 MET CA C 31 54.301 54.157 0.144 1
1 311 . 19 1 1 A 31 31 MET CB C 31 31.899 30.988 0.911 1
1 314 . 19 1 1 A 31 31 MET N N 31 125.209 120.942 4.267 1
1 315 . 19 1 1 A 32 32 THR H H 32 7.284 7.507 -0.223 1
1 316 . 19 1 1 A 32 32 THR HA H 32 4.003 3.927 0.076 1
1 321 . 19 1 1 A 32 32 THR C C 32 173.721 175.063 -1.342 1
1 322 . 19 1 1 A 32 32 THR CA C 32 59.873 63.176 -3.303 1
1 323 . 19 1 1 A 32 32 THR CB C 32 69.651 68.825 0.826 1
1 325 . 19 1 1 A 32 32 THR N N 32 108.409 115.332 -6.923 1
1 326 . 19 1 1 A 33 33 SER H H 33 7.809 7.917 -0.108 1
1 327 . 19 1 1 A 33 33 SER HA H 33 4.614 4.741 -0.127 1
1 330 . 19 1 1 A 33 33 SER C C 33 171.608 173.876 -2.268 1
1 331 . 19 1 1 A 33 33 SER CA C 33 56.764 57.155 -0.391 1
1 332 . 19 1 1 A 33 33 SER CB C 33 65.653 65.821 -0.168 1
1 333 . 19 1 1 A 33 33 SER N N 33 115.742 116.171 -0.429 1
1 334 . 19 1 1 A 34 34 LEU H H 34 8.284 8.648 -0.364 1
1 335 . 19 1 1 A 34 34 LEU HA H 34 4.488 4.371 0.117 1
1 345 . 19 1 1 A 34 34 LEU C C 34 178.335 177.708 0.627 1
1 346 . 19 1 1 A 34 34 LEU CA C 34 54.583 56.519 -1.936 1
1 347 . 19 1 1 A 34 34 LEU CB C 34 41.872 42.259 -0.387 1
1 351 . 19 1 1 A 34 34 LEU N N 34 116.566 123.194 -6.628 1
1 352 . 19 1 1 A 35 35 GLY H H 35 8.159 8.066 0.093 1
1 353 . 19 1 1 A 35 35 GLY HA2 H 35 4.239 3.809 0.430 1
1 354 . 19 1 1 A 35 35 GLY HA3 H 35 3.949 3.813 0.136 1
1 355 . 19 1 1 A 35 35 GLY C C 35 175.299 175.091 0.208 1
1 356 . 19 1 1 A 35 35 GLY CA C 35 44.707 47.282 -2.575 1
1 357 . 19 1 1 A 35 35 GLY N N 35 106.688 107.730 -1.042 1
1 358 . 19 1 1 A 36 36 SER HA H 36 4.123 4.708 -0.585 1
1 360 . 19 1 1 A 36 36 SER CA C 36 61.785 60.039 1.746 1
1 361 . 19 1 1 A 36 36 SER CB C 36 62.793 65.103 -2.310 1
1 362 . 19 1 1 A 37 37 VAL HA H 37 4.155 3.697 0.458 1
1 370 . 19 1 1 A 37 37 VAL C C 37 177.048 177.433 -0.385 1
1 371 . 19 1 1 A 37 37 VAL CA C 37 64.423 65.159 -0.736 1
1 372 . 19 1 1 A 37 37 VAL CB C 37 31.486 31.336 0.150 1
1 375 . 19 1 1 A 38 38 CYS H H 38 7.746 8.113 -0.367 1
1 376 . 19 1 1 A 38 38 CYS HA H 38 4.787 4.197 0.590 1
1 379 . 19 1 1 A 38 38 CYS C C 38 174.522 177.287 -2.765 1
1 380 . 19 1 1 A 38 38 CYS CA C 38 59.344 63.171 -3.827 1
1 381 . 19 1 1 A 38 38 CYS CB C 38 29.261 27.302 1.959 1
1 382 . 19 1 1 A 38 38 CYS N N 38 116.501 119.896 -3.395 1
1 383 . 19 1 1 A 39 39 ARG H H 39 7.633 7.649 -0.016 1
1 384 . 19 1 1 A 39 39 ARG HA H 39 3.847 3.939 -0.092 1
1 390 . 19 1 1 A 39 39 ARG C C 39 177.315 179.085 -1.770 1
1 391 . 19 1 1 A 39 39 ARG CA C 39 60.952 59.272 1.680 1
1 392 . 19 1 1 A 39 39 ARG CB C 39 30.332 29.926 0.406 1
1 395 . 19 1 1 A 39 39 ARG N N 39 122.520 121.695 0.825 1
1 396 . 19 1 1 A 40 40 GLU H H 40 8.827 8.263 0.564 1
1 397 . 19 1 1 A 40 40 GLU HA H 40 4.070 4.017 0.053 1
1 402 . 19 1 1 A 40 40 GLU C C 40 179.719 179.083 0.636 1
1 403 . 19 1 1 A 40 40 GLU CA C 40 60.065 59.173 0.892 1
1 404 . 19 1 1 A 40 40 GLU CB C 40 29.094 29.094 0.000 1
1 406 . 19 1 1 A 40 40 GLU N N 40 116.909 117.837 -0.928 1
1 407 . 19 1 1 A 41 41 LYS H H 41 7.660 7.822 -0.162 1
1 408 . 19 1 1 A 41 41 LYS HA H 41 4.293 4.032 0.261 1
1 416 . 19 1 1 A 41 41 LYS C C 41 176.854 179.253 -2.399 1
1 417 . 19 1 1 A 41 41 LYS CA C 41 59.908 59.220 0.688 1
1 418 . 19 1 1 A 41 41 LYS CB C 41 33.704 32.522 1.182 1
1 422 . 19 1 1 A 41 41 LYS N N 41 120.497 119.208 1.289 1
1 423 . 19 1 1 A 42 42 ILE H H 42 8.050 7.961 0.089 1
1 424 . 19 1 1 A 42 42 ILE HA H 42 3.756 3.488 0.268 1
1 434 . 19 1 1 A 42 42 ILE C C 42 177.607 177.723 -0.116 1
1 435 . 19 1 1 A 42 42 ILE CA C 42 65.460 65.088 0.372 1
1 436 . 19 1 1 A 42 42 ILE CB C 42 38.516 37.642 0.874 1
1 440 . 19 1 1 A 42 42 ILE N N 42 119.276 120.792 -1.516 1
1 441 . 19 1 1 A 43 43 GLU H H 43 8.142 8.251 -0.109 1
1 442 . 19 1 1 A 43 43 GLU HA H 43 4.011 4.018 -0.007 1
1 447 . 19 1 1 A 43 43 GLU C C 43 179.477 178.570 0.907 1
1 448 . 19 1 1 A 43 43 GLU CA C 43 59.340 59.172 0.168 1
1 449 . 19 1 1 A 43 43 GLU CB C 43 29.425 29.345 0.080 1
1 451 . 19 1 1 A 43 43 GLU N N 43 116.432 120.297 -3.865 1
1 452 . 19 1 1 A 44 44 ALA H H 44 8.053 8.186 -0.133 1
1 453 . 19 1 1 A 44 44 ALA HA H 44 4.217 4.215 0.002 1
1 457 . 19 1 1 A 44 44 ALA C C 44 180.958 178.946 2.012 1
1 458 . 19 1 1 A 44 44 ALA CA C 44 55.453 54.640 0.813 1
1 459 . 19 1 1 A 44 44 ALA CB C 44 18.553 19.449 -0.896 1
1 460 . 19 1 1 A 44 44 ALA N N 44 122.819 122.992 -0.173 1
1 461 . 19 1 1 A 45 45 VAL H H 45 8.400 7.366 1.034 1
1 462 . 19 1 1 A 45 45 VAL HA H 45 3.530 3.746 -0.216 1
1 470 . 19 1 1 A 45 45 VAL C C 45 176.465 176.926 -0.461 1
1 471 . 19 1 1 A 45 45 VAL CA C 45 65.075 64.543 0.532 1
1 472 . 19 1 1 A 45 45 VAL CB C 45 29.673 30.928 -1.255 1
1 475 . 19 1 1 A 45 45 VAL N N 45 120.862 116.866 3.996 1
1 476 . 19 1 1 A 46 46 ALA H H 46 8.225 7.904 0.321 1
1 477 . 19 1 1 A 46 46 ALA HA H 46 3.787 4.086 -0.299 1
1 481 . 19 1 1 A 46 46 ALA C C 46 180.205 179.840 0.365 1
1 482 . 19 1 1 A 46 46 ALA CA C 46 55.753 55.140 0.613 1
1 483 . 19 1 1 A 46 46 ALA CB C 46 18.516 18.664 -0.148 1
1 484 . 19 1 1 A 46 46 ALA N N 46 125.827 123.695 2.132 1
1 485 . 19 1 1 A 47 47 THR H H 47 7.850 7.447 0.403 1
1 486 . 19 1 1 A 47 47 THR HA H 47 4.084 4.005 0.079 1
1 491 . 19 1 1 A 47 47 THR C C 47 177.339 176.431 0.908 1
1 492 . 19 1 1 A 47 47 THR CA C 47 66.492 64.738 1.754 1
1 493 . 19 1 1 A 47 47 THR CB C 47 68.772 68.999 -0.227 1
1 495 . 19 1 1 A 47 47 THR N N 47 113.467 112.563 0.904 1
1 496 . 19 1 1 A 48 48 GLU H H 48 8.050 8.184 -0.134 1
1 497 . 19 1 1 A 48 48 GLU HA H 48 4.001 4.102 -0.101 1
1 502 . 19 1 1 A 48 48 GLU C C 48 178.457 178.232 0.225 1
1 503 . 19 1 1 A 48 48 GLU CA C 48 60.174 58.681 1.493 1
1 504 . 19 1 1 A 48 48 GLU CB C 48 29.719 29.707 0.012 1
1 506 . 19 1 1 A 48 48 GLU N N 48 123.295 120.965 2.330 1
1 507 . 19 1 1 A 49 49 LEU H H 49 8.198 7.557 0.641 1
1 508 . 19 1 1 A 49 49 LEU HA H 49 4.215 4.287 -0.072 1
1 518 . 19 1 1 A 49 49 LEU C C 49 176.344 175.958 0.386 1
1 519 . 19 1 1 A 49 49 LEU CA C 49 55.050 54.839 0.211 1
1 520 . 19 1 1 A 49 49 LEU CB C 49 42.861 41.968 0.893 1
1 524 . 19 1 1 A 49 49 LEU N N 49 115.963 118.080 -2.117 1
1 525 . 19 1 1 A 50 50 ASN H H 50 8.008 7.645 0.363 1
1 526 . 19 1 1 A 50 50 ASN HA H 50 4.411 4.279 0.132 1
1 531 . 19 1 1 A 50 50 ASN C C 50 174.522 173.681 0.841 1
1 532 . 19 1 1 A 50 50 ASN CA C 50 54.159 54.450 -0.291 1
1 533 . 19 1 1 A 50 50 ASN CB C 50 37.446 36.571 0.875 1
1 534 . 19 1 1 A 50 50 ASN N N 50 118.398 115.905 2.493 1
1 536 . 19 1 1 A 51 51 VAL H H 51 8.240 7.624 0.616 1
1 537 . 19 1 1 A 51 51 VAL HA H 51 4.792 4.859 -0.067 1
1 545 . 19 1 1 A 51 51 VAL C C 51 174.619 174.506 0.113 1
1 546 . 19 1 1 A 51 51 VAL CA C 51 58.674 58.565 0.109 1
1 547 . 19 1 1 A 51 51 VAL CB C 51 36.102 35.446 0.656 1
1 550 . 19 1 1 A 51 51 VAL N N 51 110.142 110.636 -0.494 1
1 551 . 19 1 1 A 52 52 ASP H H 52 8.164 8.700 -0.536 1
1 552 . 19 1 1 A 52 52 ASP HA H 52 4.597 4.593 0.004 1
1 555 . 19 1 1 A 52 52 ASP C C 52 178.262 177.450 0.812 1
1 556 . 19 1 1 A 52 52 ASP CA C 52 54.423 54.978 -0.555 1
1 557 . 19 1 1 A 52 52 ASP CB C 52 43.200 40.954 2.246 1
1 558 . 19 1 1 A 52 52 ASP N N 52 120.019 123.781 -3.762 1
1 559 . 19 1 1 A 53 53 CYS H H 53 8.967 8.943 0.024 1
1 560 . 19 1 1 A 53 53 CYS HA H 53 3.862 4.003 -0.141 1
1 563 . 19 1 1 A 53 53 CYS C C 53 176.975 176.760 0.215 1
1 564 . 19 1 1 A 53 53 CYS CA C 53 63.438 62.538 0.900 1
1 565 . 19 1 1 A 53 53 CYS CB C 53 27.358 26.958 0.400 1
1 566 . 19 1 1 A 53 53 CYS N N 53 122.121 122.163 -0.042 1
1 567 . 19 1 1 A 54 54 GLU H H 54 9.357 8.346 1.011 1
1 568 . 19 1 1 A 54 54 GLU HA H 54 4.083 4.049 0.034 1
1 573 . 19 1 1 A 54 54 GLU C C 54 179.064 179.268 -0.204 1
1 574 . 19 1 1 A 54 54 GLU CA C 54 59.626 59.563 0.063 1
1 575 . 19 1 1 A 54 54 GLU CB C 54 29.178 29.473 -0.295 1
1 577 . 19 1 1 A 54 54 GLU N N 54 120.121 120.799 -0.678 1
1 578 . 19 1 1 A 55 55 ILE H H 55 7.650 8.534 -0.884 1
1 579 . 19 1 1 A 55 55 ILE HA H 55 4.005 3.851 0.154 1
1 589 . 19 1 1 A 55 55 ILE C C 55 179.331 178.563 0.768 1
1 590 . 19 1 1 A 55 55 ILE CA C 55 63.558 65.478 -1.920 1
1 591 . 19 1 1 A 55 55 ILE CB C 55 36.988 37.998 -1.010 1
1 595 . 19 1 1 A 55 55 ILE N N 55 119.061 120.176 -1.115 1
1 596 . 19 1 1 A 56 56 VAL H H 56 6.973 7.925 -0.952 1
1 597 . 19 1 1 A 56 56 VAL HA H 56 3.651 3.758 -0.107 1
1 605 . 19 1 1 A 56 56 VAL C C 56 177.874 178.084 -0.210 1
1 606 . 19 1 1 A 56 56 VAL CA C 56 66.847 66.404 0.443 1
1 607 . 19 1 1 A 56 56 VAL CB C 56 31.486 31.541 -0.055 1
1 610 . 19 1 1 A 56 56 VAL N N 56 121.206 120.637 0.569 1
1 611 . 19 1 1 A 57 57 ARG H H 57 8.508 8.114 0.394 1
1 612 . 19 1 1 A 57 57 ARG HA H 57 3.928 4.057 -0.129 1
1 618 . 19 1 1 A 57 57 ARG C C 57 179.282 178.924 0.358 1
1 619 . 19 1 1 A 57 57 ARG CA C 57 61.095 59.769 1.326 1
1 620 . 19 1 1 A 57 57 ARG CB C 57 30.261 30.108 0.153 1
1 623 . 19 1 1 A 57 57 ARG N N 57 118.801 119.732 -0.931 1
1 624 . 19 1 1 A 58 58 THR H H 58 8.528 8.193 0.335 1
1 625 . 19 1 1 A 58 58 THR HA H 58 4.013 4.008 0.005 1
1 630 . 19 1 1 A 58 58 THR C C 58 175.518 176.315 -0.797 1
1 631 . 19 1 1 A 58 58 THR CA C 58 66.879 66.409 0.470 1
1 632 . 19 1 1 A 58 58 THR CB C 58 68.826 68.553 0.273 1
1 634 . 19 1 1 A 58 58 THR N N 58 117.805 117.083 0.722 1
1 635 . 19 1 1 A 59 59 TRP H H 59 7.904 8.153 -0.249 1
1 636 . 19 1 1 A 59 59 TRP HA H 59 4.228 4.434 -0.206 1
1 645 . 19 1 1 A 59 59 TRP C C 59 179.015 178.457 0.558 1
1 646 . 19 1 1 A 59 59 TRP CA C 59 63.377 61.478 1.899 1
1 647 . 19 1 1 A 59 59 TRP CB C 59 28.280 29.642 -1.362 1
1 653 . 19 1 1 A 59 59 TRP N N 59 124.326 124.160 0.166 1
1 655 . 19 1 1 A 60 60 ILE H H 60 8.799 8.510 0.289 1
1 656 . 19 1 1 A 60 60 ILE HA H 60 3.461 3.421 0.040 1
1 666 . 19 1 1 A 60 60 ILE C C 60 178.481 177.834 0.647 1
1 667 . 19 1 1 A 60 60 ILE CA C 60 65.878 65.031 0.847 1
1 668 . 19 1 1 A 60 60 ILE CB C 60 39.399 38.179 1.220 1
1 672 . 19 1 1 A 60 60 ILE N N 60 119.831 119.468 0.363 1
1 673 . 19 1 1 A 61 61 GLY H H 61 8.659 7.804 0.855 1
1 674 . 19 1 1 A 61 61 GLY HA2 H 61 3.705 3.803 -0.098 1
1 675 . 19 1 1 A 61 61 GLY HA3 H 61 4.118 3.805 0.313 1
1 676 . 19 1 1 A 61 61 GLY C C 61 176.878 175.959 0.919 1
1 677 . 19 1 1 A 61 61 GLY CA C 61 47.388 47.355 0.033 1
1 678 . 19 1 1 A 61 61 GLY N N 61 106.205 107.791 -1.586 1
1 679 . 19 1 1 A 62 62 ASN H H 62 8.408 7.662 0.746 1
1 680 . 19 1 1 A 62 62 ASN HA H 62 4.452 4.352 0.100 1
1 685 . 19 1 1 A 62 62 ASN C C 62 177.461 177.552 -0.091 1
1 686 . 19 1 1 A 62 62 ASN CA C 62 55.480 55.838 -0.358 1
1 687 . 19 1 1 A 62 62 ASN CB C 62 37.951 37.862 0.089 1
1 688 . 19 1 1 A 62 62 ASN N N 62 120.644 119.817 0.827 1
1 690 . 19 1 1 A 63 63 ARG H H 63 7.816 7.677 0.139 1
1 691 . 19 1 1 A 63 63 ARG HA H 63 3.544 3.568 -0.024 1
1 698 . 19 1 1 A 63 63 ARG C C 63 178.189 178.460 -0.271 1
1 699 . 19 1 1 A 63 63 ARG CA C 63 59.219 59.416 -0.197 1
1 700 . 19 1 1 A 63 63 ARG CB C 63 29.077 29.398 -0.321 1
1 703 . 19 1 1 A 63 63 ARG N N 63 124.207 120.176 4.031 1
1 704 . 19 1 1 A 64 64 ARG H H 64 8.578 7.990 0.588 1
1 705 . 19 1 1 A 64 64 ARG HA H 64 4.057 4.189 -0.132 1
1 712 . 19 1 1 A 64 64 ARG C C 64 179.039 178.894 0.145 1
1 713 . 19 1 1 A 64 64 ARG CA C 64 60.190 60.255 -0.065 1
1 714 . 19 1 1 A 64 64 ARG CB C 64 30.579 30.040 0.539 1
1 717 . 19 1 1 A 64 64 ARG N N 64 117.839 117.711 0.128 1
1 718 . 19 1 1 A 65 65 ARG H H 65 7.712 7.503 0.209 1
1 719 . 19 1 1 A 65 65 ARG HA H 65 4.091 4.003 0.088 1
1 726 . 19 1 1 A 65 65 ARG C C 65 178.214 178.333 -0.119 1
1 727 . 19 1 1 A 65 65 ARG CA C 65 59.556 59.281 0.275 1
1 728 . 19 1 1 A 65 65 ARG CB C 65 30.167 29.973 0.194 1
1 731 . 19 1 1 A 65 65 ARG N N 65 118.827 119.695 -0.868 1
1 732 . 19 1 1 A 66 66 LYS H H 66 7.848 7.834 0.014 1
1 733 . 19 1 1 A 66 66 LYS HA H 66 3.997 3.934 0.063 1
1 741 . 19 1 1 A 66 66 LYS C C 66 178.481 178.810 -0.329 1
1 742 . 19 1 1 A 66 66 LYS CA C 66 59.110 59.663 -0.553 1
1 743 . 19 1 1 A 66 66 LYS CB C 66 32.226 32.090 0.136 1
1 747 . 19 1 1 A 66 66 LYS N N 66 120.251 117.728 2.523 1
1 748 . 19 1 1 A 67 67 TYR H H 67 8.324 7.963 0.361 1
1 749 . 19 1 1 A 67 67 TYR HA H 67 4.274 4.290 -0.016 1
1 756 . 19 1 1 A 67 67 TYR C C 67 177.412 177.951 -0.539 1
1 757 . 19 1 1 A 67 67 TYR CA C 67 60.576 60.807 -0.231 1
1 758 . 19 1 1 A 67 67 TYR CB C 67 37.043 38.397 -1.354 1
1 763 . 19 1 1 A 67 67 TYR N N 67 118.725 119.291 -0.566 1
1 764 . 19 1 1 A 68 68 ARG H H 68 8.084 8.040 0.044 1
1 765 . 19 1 1 A 68 68 ARG HA H 68 4.218 4.167 0.051 1
1 772 . 19 1 1 A 68 68 ARG C C 68 179.209 178.551 0.658 1
1 773 . 19 1 1 A 68 68 ARG CA C 68 58.616 59.081 -0.465 1
1 774 . 19 1 1 A 68 68 ARG CB C 68 29.343 30.025 -0.682 1
1 777 . 19 1 1 A 68 68 ARG N N 68 119.763 119.427 0.336 1
1 778 . 19 1 1 A 69 69 LEU H H 69 8.168 8.341 -0.173 1
1 779 . 19 1 1 A 69 69 LEU HA H 69 4.244 4.034 0.210 1
1 789 . 19 1 1 A 69 69 LEU C C 69 178.457 178.427 0.030 1
1 790 . 19 1 1 A 69 69 LEU CA C 69 56.981 58.098 -1.117 1
1 791 . 19 1 1 A 69 69 LEU CB C 69 41.955 41.537 0.418 1
1 795 . 19 1 1 A 69 69 LEU N N 69 120.874 121.189 -0.315 1
1 796 . 19 1 1 A 70 70 MET H H 70 7.942 7.610 0.332 1
1 797 . 19 1 1 A 70 70 MET HA H 70 4.440 4.478 -0.038 1
1 805 . 19 1 1 A 70 70 MET C C 70 176.417 176.271 0.146 1
1 806 . 19 1 1 A 70 70 MET CA C 70 55.958 55.717 0.241 1
1 807 . 19 1 1 A 70 70 MET CB C 70 33.711 33.242 0.469 1
1 810 . 19 1 1 A 70 70 MET N N 70 117.335 117.018 0.317 1
1 811 . 19 1 1 A 71 71 GLY H H 71 8.107 8.037 0.070 1
1 812 . 19 1 1 A 71 71 GLY HA2 H 71 3.906 4.063 -0.157 1
1 813 . 19 1 1 A 71 71 GLY HA3 H 71 4.055 4.067 -0.012 1
1 814 . 19 1 1 A 71 71 GLY C C 71 174.255 174.293 -0.038 1
1 815 . 19 1 1 A 71 71 GLY CA C 71 45.852 45.709 0.143 1
1 816 . 19 1 1 A 71 71 GLY N N 71 109.096 107.173 1.923 1
1 817 . 19 1 1 A 72 72 ILE H H 72 8.036 7.863 0.173 1
1 818 . 19 1 1 A 72 72 ILE HA H 72 4.197 4.289 -0.092 1
1 828 . 19 1 1 A 72 72 ILE C C 72 175.712 175.052 0.660 1
1 829 . 19 1 1 A 72 72 ILE CA C 72 60.626 60.349 0.277 1
1 830 . 19 1 1 A 72 72 ILE CB C 72 39.203 39.201 0.002 1
1 834 . 19 1 1 A 72 72 ILE N N 72 120.615 121.188 -0.573 1
1 835 . 19 1 1 A 73 73 GLU H H 73 8.523 8.628 -0.105 1
1 836 . 19 1 1 A 73 73 GLU HA H 73 4.306 4.510 -0.204 1
1 841 . 19 1 1 A 73 73 GLU C C 73 176.417 175.520 0.897 1
1 842 . 19 1 1 A 73 73 GLU CA C 73 56.551 56.109 0.442 1
1 843 . 19 1 1 A 73 73 GLU CB C 73 30.167 29.172 0.995 1
1 845 . 19 1 1 A 73 73 GLU N N 73 125.837 127.224 -1.387 1
1 846 . 19 1 1 A 74 74 VAL H H 74 8.319 8.953 -0.634 1
1 847 . 19 1 1 A 74 74 VAL HA H 74 4.187 4.345 -0.158 1
1 855 . 19 1 1 A 74 74 VAL C C 74 176.052 174.237 1.815 1
1 856 . 19 1 1 A 74 74 VAL CA C 74 62.103 60.951 1.152 1
1 857 . 19 1 1 A 74 74 VAL CB C 74 33.063 32.534 0.529 1
1 860 . 19 1 1 A 74 74 VAL N N 74 122.642 126.803 -4.161 1
1 861 . 19 1 1 A 75 75 SER H H 75 8.460 7.615 0.845 1
1 862 . 19 1 1 A 75 75 SER HA H 75 4.469 5.179 -0.710 1
1 865 . 19 1 1 A 75 75 SER C C 75 174.547 173.890 0.657 1
1 866 . 19 1 1 A 75 75 SER CA C 75 58.413 56.701 1.712 1
1 867 . 19 1 1 A 75 75 SER CB C 75 64.015 65.435 -1.420 1
1 868 . 19 1 1 A 75 75 SER N N 75 120.411 120.690 -0.279 1
1 869 . 19 1 1 A 76 76 GLY H H 76 8.307 8.481 -0.174 1
1 870 . 19 1 1 A 76 76 GLY HA2 H 76 4.096 4.177 -0.081 1
1 871 . 19 1 1 A 76 76 GLY C C 76 171.729 172.689 -0.960 1
1 872 . 19 1 1 A 76 76 GLY CA C 76 44.566 44.393 0.173 1
1 873 . 19 1 1 A 76 76 GLY N N 76 110.975 112.416 -1.441 1
1 874 . 19 1 1 A 77 77 PRO HA H 77 4.508 4.382 0.126 1
1 880 . 19 1 1 A 77 77 PRO CA C 77 63.054 62.869 0.185 1
1 881 . 19 1 1 A 77 77 PRO CB C 77 32.299 30.012 2.287 1
1 884 . 19 1 1 A 79 79 SER HA H 79 4.507 4.154 0.353 1
1 887 . 19 1 1 A 79 79 SER C C 79 173.939 175.001 -1.062 1
1 888 . 19 1 1 A 79 79 SER CA C 79 58.427 59.793 -1.366 1
1 889 . 19 1 1 A 79 79 SER CB C 79 64.293 63.064 1.229 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.969 4.227 -0.258 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.969 4.227 -0.258 1
1 3 . 20 1 1 A 7 7 GLY C C 7 173.939 172.153 1.786 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.342 44.856 0.486 1
1 5 . 20 1 1 A 8 8 ALA H H 8 8.128 8.877 -0.749 1
1 6 . 20 1 1 A 8 8 ALA HA H 8 4.329 5.029 -0.700 1
1 10 . 20 1 1 A 8 8 ALA C C 8 177.971 175.310 2.661 1
1 11 . 20 1 1 A 8 8 ALA CA C 8 52.565 51.519 1.046 1
1 12 . 20 1 1 A 8 8 ALA CB C 8 19.287 22.857 -3.570 1
1 13 . 20 1 1 A 8 8 ALA N N 8 123.703 125.536 -1.833 1
1 14 . 20 1 1 A 9 9 LEU H H 9 8.240 8.845 -0.605 1
1 15 . 20 1 1 A 9 9 LEU HA H 9 4.304 4.762 -0.458 1
1 25 . 20 1 1 A 9 9 LEU C C 9 177.655 175.984 1.671 1
1 26 . 20 1 1 A 9 9 LEU CA C 9 55.570 53.010 2.560 1
1 27 . 20 1 1 A 9 9 LEU CB C 9 42.202 43.265 -1.063 1
1 31 . 20 1 1 A 9 9 LEU N N 9 121.161 124.953 -3.792 1
1 32 . 20 1 1 A 10 10 GLN H H 10 8.305 8.819 -0.514 1
1 33 . 20 1 1 A 10 10 GLN HA H 10 4.313 4.000 0.313 1
1 40 . 20 1 1 A 10 10 GLN C C 10 175.737 175.994 -0.257 1
1 41 . 20 1 1 A 10 10 GLN CA C 10 56.099 56.829 -0.730 1
1 42 . 20 1 1 A 10 10 GLN CB C 10 29.425 27.643 1.782 1
1 44 . 20 1 1 A 10 10 GLN N N 10 120.538 125.336 -4.798 1
1 46 . 20 1 1 A 11 11 ASP H H 11 8.306 7.912 0.394 1
1 47 . 20 1 1 A 11 11 ASP HA H 11 4.589 4.779 -0.190 1
1 50 . 20 1 1 A 11 11 ASP C C 11 176.319 175.469 0.850 1
1 51 . 20 1 1 A 11 11 ASP CA C 11 54.583 53.000 1.583 1
1 52 . 20 1 1 A 11 11 ASP CB C 11 41.204 40.625 0.579 1
1 53 . 20 1 1 A 11 11 ASP N N 11 121.418 119.881 1.537 1
1 54 . 20 1 1 A 12 12 ARG H H 12 8.257 7.682 0.575 1
1 55 . 20 1 1 A 12 12 ARG HA H 12 4.408 4.478 -0.070 1
1 62 . 20 1 1 A 12 12 ARG C C 12 176.295 175.771 0.524 1
1 63 . 20 1 1 A 12 12 ARG CA C 12 56.088 56.276 -0.188 1
1 64 . 20 1 1 A 12 12 ARG CB C 12 30.579 31.125 -0.546 1
1 67 . 20 1 1 A 12 12 ARG N N 12 121.271 123.228 -1.957 1
1 68 . 20 1 1 A 13 13 THR H H 13 8.189 8.874 -0.685 1
1 69 . 20 1 1 A 13 13 THR HA H 13 4.193 5.078 -0.885 1
1 74 . 20 1 1 A 13 13 THR C C 13 174.121 172.075 2.046 1
1 75 . 20 1 1 A 13 13 THR CA C 13 62.448 59.084 3.364 1
1 76 . 20 1 1 A 13 13 THR CB C 13 69.697 72.001 -2.304 1
1 78 . 20 1 1 A 13 13 THR N N 13 114.810 113.986 0.824 1
1 79 . 20 1 1 A 14 14 GLN H H 14 8.130 8.634 -0.504 1
1 80 . 20 1 1 A 14 14 GLN HA H 14 4.314 5.010 -0.696 1
1 87 . 20 1 1 A 14 14 GLN C C 14 175.275 174.310 0.965 1
1 88 . 20 1 1 A 14 14 GLN CA C 14 55.253 54.107 1.146 1
1 89 . 20 1 1 A 14 14 GLN CB C 14 29.838 32.352 -2.514 1
1 91 . 20 1 1 A 14 14 GLN N N 14 122.533 120.522 2.011 1
1 93 . 20 1 1 A 15 15 PHE H H 15 8.151 8.866 -0.715 1
1 94 . 20 1 1 A 15 15 PHE HA H 15 5.009 4.975 0.034 1
1 102 . 20 1 1 A 15 15 PHE C C 15 176.465 175.341 1.124 1
1 103 . 20 1 1 A 15 15 PHE CA C 15 57.157 57.161 -0.004 1
1 104 . 20 1 1 A 15 15 PHE CB C 15 40.996 41.546 -0.550 1
1 110 . 20 1 1 A 15 15 PHE N N 15 120.835 123.840 -3.005 1
1 111 . 20 1 1 A 16 16 SER H H 16 9.565 8.336 1.229 1
1 112 . 20 1 1 A 16 16 SER HA H 16 4.610 4.802 -0.192 1
1 115 . 20 1 1 A 16 16 SER C C 16 174.547 175.366 -0.819 1
1 116 . 20 1 1 A 16 16 SER CA C 16 56.946 56.564 0.382 1
1 117 . 20 1 1 A 16 16 SER CB C 16 65.545 65.014 0.531 1
1 118 . 20 1 1 A 16 16 SER N N 16 119.442 116.812 2.630 1
1 119 . 20 1 1 A 17 17 ASP H H 17 8.947 9.184 -0.237 1
1 120 . 20 1 1 A 17 17 ASP HA H 17 4.386 4.336 0.050 1
1 123 . 20 1 1 A 17 17 ASP C C 17 179.331 178.507 0.824 1
1 124 . 20 1 1 A 17 17 ASP CA C 17 58.074 57.145 0.929 1
1 125 . 20 1 1 A 17 17 ASP CB C 17 39.875 39.960 -0.085 1
1 126 . 20 1 1 A 17 17 ASP N N 17 120.645 126.106 -5.461 1
1 127 . 20 1 1 A 18 18 ARG H H 18 8.302 8.292 0.010 1
1 128 . 20 1 1 A 18 18 ARG HA H 18 4.098 4.014 0.084 1
1 135 . 20 1 1 A 18 18 ARG C C 18 178.699 178.242 0.457 1
1 136 . 20 1 1 A 18 18 ARG CA C 18 59.203 59.213 -0.010 1
1 137 . 20 1 1 A 18 18 ARG CB C 18 29.920 29.911 0.009 1
1 140 . 20 1 1 A 18 18 ARG N N 18 121.398 118.847 2.551 1
1 141 . 20 1 1 A 19 19 ASP H H 19 7.853 8.111 -0.258 1
1 142 . 20 1 1 A 19 19 ASP HA H 19 4.151 4.404 -0.253 1
1 145 . 20 1 1 A 19 19 ASP C C 19 178.384 178.665 -0.281 1
1 146 . 20 1 1 A 19 19 ASP CA C 19 57.348 56.842 0.506 1
1 147 . 20 1 1 A 19 19 ASP CB C 19 40.392 40.635 -0.243 1
1 148 . 20 1 1 A 19 19 ASP N N 19 122.636 119.698 2.938 1
1 149 . 20 1 1 A 20 20 LEU H H 20 8.335 8.456 -0.121 1
1 150 . 20 1 1 A 20 20 LEU HA H 20 3.635 3.617 0.018 1
1 160 . 20 1 1 A 20 20 LEU C C 20 179.234 178.719 0.515 1
1 161 . 20 1 1 A 20 20 LEU CA C 20 57.587 57.940 -0.353 1
1 162 . 20 1 1 A 20 20 LEU CB C 20 41.658 41.500 0.158 1
1 166 . 20 1 1 A 20 20 LEU N N 20 118.845 119.627 -0.782 1
1 167 . 20 1 1 A 21 21 ALA H H 21 7.905 7.996 -0.091 1
1 168 . 20 1 1 A 21 21 ALA HA H 21 4.123 4.018 0.105 1
1 172 . 20 1 1 A 21 21 ALA C C 21 181.031 180.025 1.006 1
1 173 . 20 1 1 A 21 21 ALA CA C 21 55.103 55.457 -0.354 1
1 174 . 20 1 1 A 21 21 ALA CB C 21 17.709 18.609 -0.900 1
1 175 . 20 1 1 A 21 21 ALA N N 21 122.007 120.973 1.034 1
1 176 . 20 1 1 A 22 22 THR H H 22 7.886 8.038 -0.152 1
1 177 . 20 1 1 A 22 22 THR HA H 22 3.954 3.812 0.142 1
1 182 . 20 1 1 A 22 22 THR C C 22 175.834 176.170 -0.336 1
1 183 . 20 1 1 A 22 22 THR CA C 22 67.081 67.621 -0.540 1
1 184 . 20 1 1 A 22 22 THR CB C 22 68.253 68.771 -0.518 1
1 186 . 20 1 1 A 22 22 THR N N 22 119.042 113.937 5.105 1
1 187 . 20 1 1 A 23 23 LEU H H 23 8.036 8.088 -0.052 1
1 188 . 20 1 1 A 23 23 LEU HA H 23 3.404 3.828 -0.424 1
1 198 . 20 1 1 A 23 23 LEU C C 23 178.335 179.018 -0.683 1
1 199 . 20 1 1 A 23 23 LEU CA C 23 59.230 58.108 1.122 1
1 200 . 20 1 1 A 23 23 LEU CB C 23 39.399 41.074 -1.675 1
1 204 . 20 1 1 A 23 23 LEU N N 23 123.450 120.569 2.881 1
1 205 . 20 1 1 A 24 24 LYS H H 24 8.166 8.461 -0.295 1
1 206 . 20 1 1 A 24 24 LYS HA H 24 4.074 4.084 -0.010 1
1 215 . 20 1 1 A 24 24 LYS C C 24 177.631 178.871 -1.240 1
1 216 . 20 1 1 A 24 24 LYS CA C 24 60.367 60.459 -0.092 1
1 217 . 20 1 1 A 24 24 LYS CB C 24 32.554 32.389 0.165 1
1 221 . 20 1 1 A 24 24 LYS N N 24 117.974 117.352 0.622 1
1 222 . 20 1 1 A 25 25 LYS H H 25 7.837 8.120 -0.283 1
1 223 . 20 1 1 A 25 25 LYS HA H 25 4.205 4.026 0.179 1
1 232 . 20 1 1 A 25 25 LYS C C 25 179.695 178.351 1.344 1
1 233 . 20 1 1 A 25 25 LYS CA C 25 59.704 59.378 0.326 1
1 234 . 20 1 1 A 25 25 LYS CB C 25 31.816 32.031 -0.215 1
1 238 . 20 1 1 A 25 25 LYS N N 25 120.567 120.563 0.004 1
1 239 . 20 1 1 A 26 26 TYR H H 26 8.158 7.757 0.401 1
1 240 . 20 1 1 A 26 26 TYR HA H 26 4.089 4.252 -0.163 1
1 247 . 20 1 1 A 26 26 TYR C C 26 180.035 178.752 1.283 1
1 248 . 20 1 1 A 26 26 TYR CA C 26 63.104 60.291 2.813 1
1 249 . 20 1 1 A 26 26 TYR CB C 26 36.926 38.078 -1.152 1
1 254 . 20 1 1 A 26 26 TYR N N 26 118.591 118.430 0.161 1
1 255 . 20 1 1 A 27 27 TRP H H 27 9.294 8.298 0.996 1
1 256 . 20 1 1 A 27 27 TRP HA H 27 4.349 4.432 -0.083 1
1 265 . 20 1 1 A 27 27 TRP C C 27 179.209 178.534 0.675 1
1 266 . 20 1 1 A 27 27 TRP CA C 27 61.357 60.831 0.526 1
1 267 . 20 1 1 A 27 27 TRP CB C 27 28.481 29.965 -1.484 1
1 273 . 20 1 1 A 27 27 TRP N N 27 125.036 122.472 2.564 1
1 275 . 20 1 1 A 28 28 ASP H H 28 9.354 8.306 1.048 1
1 276 . 20 1 1 A 28 28 ASP HA H 28 4.479 4.650 -0.171 1
1 279 . 20 1 1 A 28 28 ASP C C 28 176.999 177.370 -0.371 1
1 280 . 20 1 1 A 28 28 ASP CA C 28 57.024 57.197 -0.173 1
1 281 . 20 1 1 A 28 28 ASP CB C 28 39.894 41.299 -1.405 1
1 282 . 20 1 1 A 28 28 ASP N N 28 121.650 119.259 2.391 1
1 283 . 20 1 1 A 29 29 ASN H H 29 7.569 8.308 -0.739 1
1 284 . 20 1 1 A 29 29 ASN HA H 29 4.905 4.809 0.096 1
1 289 . 20 1 1 A 29 29 ASN C C 29 174.935 175.112 -0.177 1
1 290 . 20 1 1 A 29 29 ASN CA C 29 52.819 53.348 -0.529 1
1 291 . 20 1 1 A 29 29 ASN CB C 29 39.320 39.136 0.184 1
1 292 . 20 1 1 A 29 29 ASN N N 29 116.912 115.456 1.456 1
1 294 . 20 1 1 A 30 30 GLY H H 30 7.695 7.877 -0.182 1
1 295 . 20 1 1 A 30 30 GLY HA2 H 30 3.603 3.719 -0.116 1
1 296 . 20 1 1 A 30 30 GLY HA3 H 30 4.489 3.839 0.650 1
1 297 . 20 1 1 A 30 30 GLY C C 30 174.571 174.855 -0.284 1
1 298 . 20 1 1 A 30 30 GLY CA C 30 45.332 46.791 -1.459 1
1 299 . 20 1 1 A 30 30 GLY N N 30 105.356 107.916 -2.560 1
1 300 . 20 1 1 A 31 31 MET H H 31 8.574 7.900 0.674 1
1 301 . 20 1 1 A 31 31 MET HA H 31 4.769 4.324 0.445 1
1 309 . 20 1 1 A 31 31 MET C C 31 173.381 176.896 -3.515 1
1 310 . 20 1 1 A 31 31 MET CA C 31 54.301 56.691 -2.390 1
1 311 . 20 1 1 A 31 31 MET CB C 31 31.899 32.260 -0.361 1
1 314 . 20 1 1 A 31 31 MET N N 31 125.209 121.319 3.890 1
1 315 . 20 1 1 A 32 32 THR H H 32 7.284 6.980 0.304 1
1 316 . 20 1 1 A 32 32 THR HA H 32 4.003 3.860 0.143 1
1 321 . 20 1 1 A 32 32 THR C C 32 173.721 172.931 0.790 1
1 322 . 20 1 1 A 32 32 THR CA C 32 59.873 60.910 -1.037 1
1 323 . 20 1 1 A 32 32 THR CB C 32 69.651 66.631 3.020 1
1 325 . 20 1 1 A 32 32 THR N N 32 108.409 113.249 -4.840 1
1 326 . 20 1 1 A 33 33 SER H H 33 7.809 7.381 0.428 1
1 327 . 20 1 1 A 33 33 SER HA H 33 4.614 4.842 -0.228 1
1 330 . 20 1 1 A 33 33 SER C C 33 171.608 173.801 -2.193 1
1 331 . 20 1 1 A 33 33 SER CA C 33 56.764 57.504 -0.740 1
1 332 . 20 1 1 A 33 33 SER CB C 33 65.653 65.465 0.188 1
1 333 . 20 1 1 A 33 33 SER N N 33 115.742 118.166 -2.424 1
1 334 . 20 1 1 A 34 34 LEU H H 34 8.284 8.674 -0.390 1
1 335 . 20 1 1 A 34 34 LEU HA H 34 4.488 4.076 0.412 1
1 345 . 20 1 1 A 34 34 LEU C C 34 178.335 178.012 0.323 1
1 346 . 20 1 1 A 34 34 LEU CA C 34 54.583 58.005 -3.422 1
1 347 . 20 1 1 A 34 34 LEU CB C 34 41.872 41.568 0.304 1
1 351 . 20 1 1 A 34 34 LEU N N 34 116.566 126.960 -10.394 1
1 352 . 20 1 1 A 35 35 GLY H H 35 8.159 8.076 0.083 1
1 353 . 20 1 1 A 35 35 GLY HA2 H 35 4.239 3.822 0.417 1
1 354 . 20 1 1 A 35 35 GLY HA3 H 35 3.949 3.828 0.121 1
1 355 . 20 1 1 A 35 35 GLY C C 35 175.299 176.196 -0.897 1
1 356 . 20 1 1 A 35 35 GLY CA C 35 44.707 45.843 -1.136 1
1 357 . 20 1 1 A 35 35 GLY N N 35 106.688 106.781 -0.093 1
1 358 . 20 1 1 A 36 36 SER HA H 36 4.123 4.110 0.013 1
1 360 . 20 1 1 A 36 36 SER CA C 36 61.785 61.703 0.082 1
1 361 . 20 1 1 A 36 36 SER CB C 36 62.793 62.864 -0.071 1
1 362 . 20 1 1 A 37 37 VAL HA H 37 4.155 3.721 0.434 1
1 370 . 20 1 1 A 37 37 VAL C C 37 177.048 177.470 -0.422 1
1 371 . 20 1 1 A 37 37 VAL CA C 37 64.423 65.114 -0.691 1
1 372 . 20 1 1 A 37 37 VAL CB C 37 31.486 31.607 -0.121 1
1 375 . 20 1 1 A 38 38 CYS H H 38 7.746 8.462 -0.716 1
1 376 . 20 1 1 A 38 38 CYS HA H 38 4.787 4.334 0.453 1
1 379 . 20 1 1 A 38 38 CYS C C 38 174.522 177.218 -2.696 1
1 380 . 20 1 1 A 38 38 CYS CA C 38 59.344 62.503 -3.159 1
1 381 . 20 1 1 A 38 38 CYS CB C 38 29.261 27.526 1.735 1
1 382 . 20 1 1 A 38 38 CYS N N 38 116.501 119.568 -3.067 1
1 383 . 20 1 1 A 39 39 ARG H H 39 7.633 7.850 -0.217 1
1 384 . 20 1 1 A 39 39 ARG HA H 39 3.847 3.913 -0.066 1
1 390 . 20 1 1 A 39 39 ARG C C 39 177.315 178.928 -1.613 1
1 391 . 20 1 1 A 39 39 ARG CA C 39 60.952 59.261 1.691 1
1 392 . 20 1 1 A 39 39 ARG CB C 39 30.332 29.863 0.469 1
1 395 . 20 1 1 A 39 39 ARG N N 39 122.520 122.743 -0.223 1
1 396 . 20 1 1 A 40 40 GLU H H 40 8.827 8.277 0.550 1
1 397 . 20 1 1 A 40 40 GLU HA H 40 4.070 3.977 0.093 1
1 402 . 20 1 1 A 40 40 GLU C C 40 179.719 179.218 0.501 1
1 403 . 20 1 1 A 40 40 GLU CA C 40 60.065 59.218 0.847 1
1 404 . 20 1 1 A 40 40 GLU CB C 40 29.094 29.224 -0.130 1
1 406 . 20 1 1 A 40 40 GLU N N 40 116.909 117.777 -0.868 1
1 407 . 20 1 1 A 41 41 LYS H H 41 7.660 7.801 -0.141 1
1 408 . 20 1 1 A 41 41 LYS HA H 41 4.293 3.988 0.305 1
1 416 . 20 1 1 A 41 41 LYS C C 41 176.854 179.089 -2.235 1
1 417 . 20 1 1 A 41 41 LYS CA C 41 59.908 59.046 0.862 1
1 418 . 20 1 1 A 41 41 LYS CB C 41 33.704 32.080 1.624 1
1 422 . 20 1 1 A 41 41 LYS N N 41 120.497 118.828 1.669 1
1 423 . 20 1 1 A 42 42 ILE H H 42 8.050 7.899 0.151 1
1 424 . 20 1 1 A 42 42 ILE HA H 42 3.756 3.534 0.222 1
1 434 . 20 1 1 A 42 42 ILE C C 42 177.607 177.795 -0.188 1
1 435 . 20 1 1 A 42 42 ILE CA C 42 65.460 65.006 0.454 1
1 436 . 20 1 1 A 42 42 ILE CB C 42 38.516 37.443 1.073 1
1 440 . 20 1 1 A 42 42 ILE N N 42 119.276 120.582 -1.306 1
1 441 . 20 1 1 A 43 43 GLU H H 43 8.142 8.331 -0.189 1
1 442 . 20 1 1 A 43 43 GLU HA H 43 4.011 4.020 -0.009 1
1 447 . 20 1 1 A 43 43 GLU C C 43 179.477 178.879 0.598 1
1 448 . 20 1 1 A 43 43 GLU CA C 43 59.340 59.347 -0.007 1
1 449 . 20 1 1 A 43 43 GLU CB C 43 29.425 29.203 0.222 1
1 451 . 20 1 1 A 43 43 GLU N N 43 116.432 120.557 -4.125 1
1 452 . 20 1 1 A 44 44 ALA H H 44 8.053 8.243 -0.190 1
1 453 . 20 1 1 A 44 44 ALA HA H 44 4.217 4.137 0.080 1
1 457 . 20 1 1 A 44 44 ALA C C 44 180.958 179.133 1.825 1
1 458 . 20 1 1 A 44 44 ALA CA C 44 55.453 54.937 0.516 1
1 459 . 20 1 1 A 44 44 ALA CB C 44 18.553 19.182 -0.629 1
1 460 . 20 1 1 A 44 44 ALA N N 44 122.819 122.792 0.027 1
1 461 . 20 1 1 A 45 45 VAL H H 45 8.400 7.317 1.083 1
1 462 . 20 1 1 A 45 45 VAL HA H 45 3.530 3.725 -0.195 1
1 470 . 20 1 1 A 45 45 VAL C C 45 176.465 177.133 -0.668 1
1 471 . 20 1 1 A 45 45 VAL CA C 45 65.075 64.796 0.279 1
1 472 . 20 1 1 A 45 45 VAL CB C 45 29.673 31.024 -1.351 1
1 475 . 20 1 1 A 45 45 VAL N N 45 120.862 116.880 3.982 1
1 476 . 20 1 1 A 46 46 ALA H H 46 8.225 7.805 0.420 1
1 477 . 20 1 1 A 46 46 ALA HA H 46 3.787 4.117 -0.330 1
1 481 . 20 1 1 A 46 46 ALA C C 46 180.205 179.567 0.638 1
1 482 . 20 1 1 A 46 46 ALA CA C 46 55.753 55.158 0.595 1
1 483 . 20 1 1 A 46 46 ALA CB C 46 18.516 18.784 -0.268 1
1 484 . 20 1 1 A 46 46 ALA N N 46 125.827 123.825 2.002 1
1 485 . 20 1 1 A 47 47 THR H H 47 7.850 7.336 0.514 1
1 486 . 20 1 1 A 47 47 THR HA H 47 4.084 4.004 0.080 1
1 491 . 20 1 1 A 47 47 THR C C 47 177.339 176.503 0.836 1
1 492 . 20 1 1 A 47 47 THR CA C 47 66.492 64.680 1.812 1
1 493 . 20 1 1 A 47 47 THR CB C 47 68.772 68.916 -0.144 1
1 495 . 20 1 1 A 47 47 THR N N 47 113.467 112.234 1.233 1
1 496 . 20 1 1 A 48 48 GLU H H 48 8.050 8.308 -0.258 1
1 497 . 20 1 1 A 48 48 GLU HA H 48 4.001 4.090 -0.089 1
1 502 . 20 1 1 A 48 48 GLU C C 48 178.457 178.274 0.183 1
1 503 . 20 1 1 A 48 48 GLU CA C 48 60.174 58.679 1.495 1
1 504 . 20 1 1 A 48 48 GLU CB C 48 29.719 29.659 0.060 1
1 506 . 20 1 1 A 48 48 GLU N N 48 123.295 120.959 2.336 1
1 507 . 20 1 1 A 49 49 LEU H H 49 8.198 7.505 0.693 1
1 508 . 20 1 1 A 49 49 LEU HA H 49 4.215 4.284 -0.069 1
1 518 . 20 1 1 A 49 49 LEU C C 49 176.344 175.957 0.387 1
1 519 . 20 1 1 A 49 49 LEU CA C 49 55.050 54.827 0.223 1
1 520 . 20 1 1 A 49 49 LEU CB C 49 42.861 42.082 0.779 1
1 524 . 20 1 1 A 49 49 LEU N N 49 115.963 118.074 -2.111 1
1 525 . 20 1 1 A 50 50 ASN H H 50 8.008 7.746 0.262 1
1 526 . 20 1 1 A 50 50 ASN HA H 50 4.411 4.273 0.138 1
1 531 . 20 1 1 A 50 50 ASN C C 50 174.522 173.710 0.812 1
1 532 . 20 1 1 A 50 50 ASN CA C 50 54.159 54.558 -0.399 1
1 533 . 20 1 1 A 50 50 ASN CB C 50 37.446 36.762 0.684 1
1 534 . 20 1 1 A 50 50 ASN N N 50 118.398 115.673 2.725 1
1 536 . 20 1 1 A 51 51 VAL H H 51 8.240 7.663 0.577 1
1 537 . 20 1 1 A 51 51 VAL HA H 51 4.792 4.867 -0.075 1
1 545 . 20 1 1 A 51 51 VAL C C 51 174.619 174.821 -0.202 1
1 546 . 20 1 1 A 51 51 VAL CA C 51 58.674 58.497 0.177 1
1 547 . 20 1 1 A 51 51 VAL CB C 51 36.102 35.469 0.633 1
1 550 . 20 1 1 A 51 51 VAL N N 51 110.142 111.258 -1.116 1
1 551 . 20 1 1 A 52 52 ASP H H 52 8.164 8.644 -0.480 1
1 552 . 20 1 1 A 52 52 ASP HA H 52 4.597 4.550 0.047 1
1 555 . 20 1 1 A 52 52 ASP C C 52 178.262 178.425 -0.163 1
1 556 . 20 1 1 A 52 52 ASP CA C 52 54.423 54.953 -0.530 1
1 557 . 20 1 1 A 52 52 ASP CB C 52 43.200 40.845 2.355 1
1 558 . 20 1 1 A 52 52 ASP N N 52 120.019 123.221 -3.202 1
1 559 . 20 1 1 A 53 53 CYS H H 53 8.967 9.074 -0.107 1
1 560 . 20 1 1 A 53 53 CYS HA H 53 3.862 4.049 -0.187 1
1 563 . 20 1 1 A 53 53 CYS C C 53 176.975 177.036 -0.061 1
1 564 . 20 1 1 A 53 53 CYS CA C 53 63.438 61.682 1.756 1
1 565 . 20 1 1 A 53 53 CYS CB C 53 27.358 27.084 0.274 1
1 566 . 20 1 1 A 53 53 CYS N N 53 122.121 123.785 -1.664 1
1 567 . 20 1 1 A 54 54 GLU H H 54 9.357 7.939 1.418 1
1 568 . 20 1 1 A 54 54 GLU HA H 54 4.083 4.182 -0.099 1
1 573 . 20 1 1 A 54 54 GLU C C 54 179.064 178.935 0.129 1
1 574 . 20 1 1 A 54 54 GLU CA C 54 59.626 58.931 0.695 1
1 575 . 20 1 1 A 54 54 GLU CB C 54 29.178 29.599 -0.421 1
1 577 . 20 1 1 A 54 54 GLU N N 54 120.121 120.525 -0.404 1
1 578 . 20 1 1 A 55 55 ILE H H 55 7.650 8.170 -0.520 1
1 579 . 20 1 1 A 55 55 ILE HA H 55 4.005 3.871 0.134 1
1 589 . 20 1 1 A 55 55 ILE C C 55 179.331 178.788 0.543 1
1 590 . 20 1 1 A 55 55 ILE CA C 55 63.558 65.331 -1.773 1
1 591 . 20 1 1 A 55 55 ILE CB C 55 36.988 37.679 -0.691 1
1 595 . 20 1 1 A 55 55 ILE N N 55 119.061 120.111 -1.050 1
1 596 . 20 1 1 A 56 56 VAL H H 56 6.973 7.439 -0.466 1
1 597 . 20 1 1 A 56 56 VAL HA H 56 3.651 3.704 -0.053 1
1 605 . 20 1 1 A 56 56 VAL C C 56 177.874 178.232 -0.358 1
1 606 . 20 1 1 A 56 56 VAL CA C 56 66.847 66.622 0.225 1
1 607 . 20 1 1 A 56 56 VAL CB C 56 31.486 31.816 -0.330 1
1 610 . 20 1 1 A 56 56 VAL N N 56 121.206 121.236 -0.030 1
1 611 . 20 1 1 A 57 57 ARG H H 57 8.508 8.094 0.414 1
1 612 . 20 1 1 A 57 57 ARG HA H 57 3.928 4.075 -0.147 1
1 618 . 20 1 1 A 57 57 ARG C C 57 179.282 179.154 0.128 1
1 619 . 20 1 1 A 57 57 ARG CA C 57 61.095 60.031 1.064 1
1 620 . 20 1 1 A 57 57 ARG CB C 57 30.261 30.006 0.255 1
1 623 . 20 1 1 A 57 57 ARG N N 57 118.801 119.158 -0.357 1
1 624 . 20 1 1 A 58 58 THR H H 58 8.528 8.217 0.311 1
1 625 . 20 1 1 A 58 58 THR HA H 58 4.013 4.001 0.012 1
1 630 . 20 1 1 A 58 58 THR C C 58 175.518 176.074 -0.556 1
1 631 . 20 1 1 A 58 58 THR CA C 58 66.879 66.433 0.446 1
1 632 . 20 1 1 A 58 58 THR CB C 58 68.826 68.398 0.428 1
1 634 . 20 1 1 A 58 58 THR N N 58 117.805 117.879 -0.074 1
1 635 . 20 1 1 A 59 59 TRP H H 59 7.904 7.827 0.077 1
1 636 . 20 1 1 A 59 59 TRP HA H 59 4.228 4.383 -0.155 1
1 645 . 20 1 1 A 59 59 TRP C C 59 179.015 178.547 0.468 1
1 646 . 20 1 1 A 59 59 TRP CA C 59 63.377 61.519 1.858 1
1 647 . 20 1 1 A 59 59 TRP CB C 59 28.280 29.549 -1.269 1
1 653 . 20 1 1 A 59 59 TRP N N 59 124.326 124.307 0.019 1
1 655 . 20 1 1 A 60 60 ILE H H 60 8.799 8.158 0.641 1
1 656 . 20 1 1 A 60 60 ILE HA H 60 3.461 3.451 0.010 1
1 666 . 20 1 1 A 60 60 ILE C C 60 178.481 177.887 0.594 1
1 667 . 20 1 1 A 60 60 ILE CA C 60 65.878 65.048 0.830 1
1 668 . 20 1 1 A 60 60 ILE CB C 60 39.399 38.051 1.348 1
1 672 . 20 1 1 A 60 60 ILE N N 60 119.831 119.400 0.431 1
1 673 . 20 1 1 A 61 61 GLY H H 61 8.659 7.833 0.826 1
1 674 . 20 1 1 A 61 61 GLY HA2 H 61 3.705 3.777 -0.072 1
1 675 . 20 1 1 A 61 61 GLY HA3 H 61 4.118 3.796 0.322 1
1 676 . 20 1 1 A 61 61 GLY C C 61 176.878 176.344 0.534 1
1 677 . 20 1 1 A 61 61 GLY CA C 61 47.388 47.259 0.129 1
1 678 . 20 1 1 A 61 61 GLY N N 61 106.205 107.901 -1.696 1
1 679 . 20 1 1 A 62 62 ASN H H 62 8.408 7.715 0.693 1
1 680 . 20 1 1 A 62 62 ASN HA H 62 4.452 4.389 0.063 1
1 685 . 20 1 1 A 62 62 ASN C C 62 177.461 177.681 -0.220 1
1 686 . 20 1 1 A 62 62 ASN CA C 62 55.480 56.007 -0.527 1
1 687 . 20 1 1 A 62 62 ASN CB C 62 37.951 38.182 -0.231 1
1 688 . 20 1 1 A 62 62 ASN N N 62 120.644 120.217 0.427 1
1 690 . 20 1 1 A 63 63 ARG H H 63 7.816 7.944 -0.128 1
1 691 . 20 1 1 A 63 63 ARG HA H 63 3.544 3.908 -0.364 1
1 698 . 20 1 1 A 63 63 ARG C C 63 178.189 178.625 -0.436 1
1 699 . 20 1 1 A 63 63 ARG CA C 63 59.219 59.399 -0.180 1
1 700 . 20 1 1 A 63 63 ARG CB C 63 29.077 29.922 -0.845 1
1 703 . 20 1 1 A 63 63 ARG N N 63 124.207 120.351 3.856 1
1 704 . 20 1 1 A 64 64 ARG H H 64 8.578 8.218 0.360 1
1 705 . 20 1 1 A 64 64 ARG HA H 64 4.057 4.067 -0.010 1
1 712 . 20 1 1 A 64 64 ARG C C 64 179.039 178.950 0.089 1
1 713 . 20 1 1 A 64 64 ARG CA C 64 60.190 60.143 0.047 1
1 714 . 20 1 1 A 64 64 ARG CB C 64 30.579 29.965 0.614 1
1 717 . 20 1 1 A 64 64 ARG N N 64 117.839 117.786 0.053 1
1 718 . 20 1 1 A 65 65 ARG H H 65 7.712 7.805 -0.093 1
1 719 . 20 1 1 A 65 65 ARG HA H 65 4.091 4.044 0.047 1
1 726 . 20 1 1 A 65 65 ARG C C 65 178.214 178.362 -0.148 1
1 727 . 20 1 1 A 65 65 ARG CA C 65 59.556 59.228 0.328 1
1 728 . 20 1 1 A 65 65 ARG CB C 65 30.167 29.971 0.196 1
1 731 . 20 1 1 A 65 65 ARG N N 65 118.827 119.809 -0.982 1
1 732 . 20 1 1 A 66 66 LYS H H 66 7.848 7.702 0.146 1
1 733 . 20 1 1 A 66 66 LYS HA H 66 3.997 3.937 0.060 1
1 741 . 20 1 1 A 66 66 LYS C C 66 178.481 178.288 0.193 1
1 742 . 20 1 1 A 66 66 LYS CA C 66 59.110 59.303 -0.193 1
1 743 . 20 1 1 A 66 66 LYS CB C 66 32.226 32.080 0.146 1
1 747 . 20 1 1 A 66 66 LYS N N 66 120.251 119.194 1.057 1
1 748 . 20 1 1 A 67 67 TYR H H 67 8.324 7.364 0.960 1
1 749 . 20 1 1 A 67 67 TYR HA H 67 4.274 4.400 -0.126 1
1 756 . 20 1 1 A 67 67 TYR C C 67 177.412 178.331 -0.919 1
1 757 . 20 1 1 A 67 67 TYR CA C 67 60.576 60.559 0.017 1
1 758 . 20 1 1 A 67 67 TYR CB C 67 37.043 38.806 -1.763 1
1 763 . 20 1 1 A 67 67 TYR N N 67 118.725 117.905 0.820 1
1 764 . 20 1 1 A 68 68 ARG H H 68 8.084 8.444 -0.360 1
1 765 . 20 1 1 A 68 68 ARG HA H 68 4.218 4.089 0.129 1
1 772 . 20 1 1 A 68 68 ARG C C 68 179.209 178.615 0.594 1
1 773 . 20 1 1 A 68 68 ARG CA C 68 58.616 59.074 -0.458 1
1 774 . 20 1 1 A 68 68 ARG CB C 68 29.343 29.988 -0.645 1
1 777 . 20 1 1 A 68 68 ARG N N 68 119.763 120.053 -0.290 1
1 778 . 20 1 1 A 69 69 LEU H H 69 8.168 8.333 -0.165 1
1 779 . 20 1 1 A 69 69 LEU HA H 69 4.244 4.077 0.167 1
1 789 . 20 1 1 A 69 69 LEU C C 69 178.457 178.611 -0.154 1
1 790 . 20 1 1 A 69 69 LEU CA C 69 56.981 58.153 -1.172 1
1 791 . 20 1 1 A 69 69 LEU CB C 69 41.955 41.571 0.384 1
1 795 . 20 1 1 A 69 69 LEU N N 69 120.874 121.085 -0.211 1
1 796 . 20 1 1 A 70 70 MET H H 70 7.942 8.152 -0.210 1
1 797 . 20 1 1 A 70 70 MET HA H 70 4.440 4.443 -0.003 1
1 805 . 20 1 1 A 70 70 MET C C 70 176.417 176.379 0.038 1
1 806 . 20 1 1 A 70 70 MET CA C 70 55.958 55.922 0.036 1
1 807 . 20 1 1 A 70 70 MET CB C 70 33.711 32.858 0.853 1
1 810 . 20 1 1 A 70 70 MET N N 70 117.335 115.717 1.618 1
1 811 . 20 1 1 A 71 71 GLY H H 71 8.107 7.812 0.295 1
1 812 . 20 1 1 A 71 71 GLY HA2 H 71 3.906 4.057 -0.151 1
1 813 . 20 1 1 A 71 71 GLY HA3 H 71 4.055 4.062 -0.007 1
1 814 . 20 1 1 A 71 71 GLY C C 71 174.255 174.256 -0.001 1
1 815 . 20 1 1 A 71 71 GLY CA C 71 45.852 45.365 0.487 1
1 816 . 20 1 1 A 71 71 GLY N N 71 109.096 105.691 3.405 1
1 817 . 20 1 1 A 72 72 ILE H H 72 8.036 7.972 0.064 1
1 818 . 20 1 1 A 72 72 ILE HA H 72 4.197 4.272 -0.075 1
1 828 . 20 1 1 A 72 72 ILE C C 72 175.712 174.870 0.842 1
1 829 . 20 1 1 A 72 72 ILE CA C 72 60.626 60.782 -0.156 1
1 830 . 20 1 1 A 72 72 ILE CB C 72 39.203 38.865 0.338 1
1 834 . 20 1 1 A 72 72 ILE N N 72 120.615 121.451 -0.836 1
1 835 . 20 1 1 A 73 73 GLU H H 73 8.523 8.653 -0.130 1
1 836 . 20 1 1 A 73 73 GLU HA H 73 4.306 4.729 -0.423 1
1 841 . 20 1 1 A 73 73 GLU C C 73 176.417 175.818 0.599 1
1 842 . 20 1 1 A 73 73 GLU CA C 73 56.551 55.595 0.956 1
1 843 . 20 1 1 A 73 73 GLU CB C 73 30.167 29.369 0.798 1
1 845 . 20 1 1 A 73 73 GLU N N 73 125.837 127.456 -1.619 1
1 846 . 20 1 1 A 74 74 VAL H H 74 8.319 8.481 -0.162 1
1 847 . 20 1 1 A 74 74 VAL HA H 74 4.187 3.984 0.203 1
1 855 . 20 1 1 A 74 74 VAL C C 74 176.052 175.935 0.117 1
1 856 . 20 1 1 A 74 74 VAL CA C 74 62.103 62.434 -0.331 1
1 857 . 20 1 1 A 74 74 VAL CB C 74 33.063 32.136 0.927 1
1 860 . 20 1 1 A 74 74 VAL N N 74 122.642 122.398 0.244 1
1 861 . 20 1 1 A 75 75 SER H H 75 8.460 8.989 -0.529 1
1 862 . 20 1 1 A 75 75 SER HA H 75 4.469 5.043 -0.574 1
1 865 . 20 1 1 A 75 75 SER C C 75 174.547 172.865 1.682 1
1 866 . 20 1 1 A 75 75 SER CA C 75 58.413 57.559 0.854 1
1 867 . 20 1 1 A 75 75 SER CB C 75 64.015 67.579 -3.564 1
1 868 . 20 1 1 A 75 75 SER N N 75 120.411 121.043 -0.632 1
1 869 . 20 1 1 A 76 76 GLY H H 76 8.307 8.377 -0.070 1
1 870 . 20 1 1 A 76 76 GLY HA2 H 76 4.096 4.258 -0.162 1
1 871 . 20 1 1 A 76 76 GLY C C 76 171.729 172.026 -0.297 1
1 872 . 20 1 1 A 76 76 GLY CA C 76 44.566 45.816 -1.250 1
1 873 . 20 1 1 A 76 76 GLY N N 76 110.975 108.724 2.251 1
1 874 . 20 1 1 A 77 77 PRO HA H 77 4.508 4.500 0.008 1
1 880 . 20 1 1 A 77 77 PRO CA C 77 63.054 63.413 -0.359 1
1 881 . 20 1 1 A 77 77 PRO CB C 77 32.299 31.246 1.053 1
1 884 . 20 1 1 A 79 79 SER HA H 79 4.507 4.996 -0.489 1
1 887 . 20 1 1 A 79 79 SER C C 79 173.939 173.941 -0.002 1
1 888 . 20 1 1 A 79 79 SER CA C 79 58.427 56.502 1.925 1
1 889 . 20 1 1 A 79 79 SER CB C 79 64.293 66.090 -1.797 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 70 0.995 1
2 1 1 1 "RMS(OBS, PRED)" CA 72 0.989 1
3 1 1 1 "RMS(OBS, PRED)" CB 66 1.067 1
4 1 1 1 "RMS(OBS, PRED)" H 67 0.521 1
5 1 1 1 "RMS(OBS, PRED)" HA 77 0.249 1
6 1 1 1 "RMS(OBS, PRED)" N 67 2.614 1
7 1 2 1 "RMS(OBS, PRED)" C 70 1.059 1
8 1 2 1 "RMS(OBS, PRED)" CA 72 1.034 1
9 1 2 1 "RMS(OBS, PRED)" CB 66 1.088 1
10 1 2 1 "RMS(OBS, PRED)" H 67 0.507 1
11 1 2 1 "RMS(OBS, PRED)" HA 77 0.234 1
12 1 2 1 "RMS(OBS, PRED)" N 67 2.735 1
13 1 3 1 "RMS(OBS, PRED)" C 70 0.991 1
14 1 3 1 "RMS(OBS, PRED)" CA 72 1.002 1
15 1 3 1 "RMS(OBS, PRED)" CB 66 1.049 1
16 1 3 1 "RMS(OBS, PRED)" H 67 0.483 1
17 1 3 1 "RMS(OBS, PRED)" HA 77 0.224 1
18 1 3 1 "RMS(OBS, PRED)" N 67 2.818 1
19 1 4 1 "RMS(OBS, PRED)" C 70 0.974 1
20 1 4 1 "RMS(OBS, PRED)" CA 72 0.950 1
21 1 4 1 "RMS(OBS, PRED)" CB 66 0.961 1
22 1 4 1 "RMS(OBS, PRED)" H 67 0.496 1
23 1 4 1 "RMS(OBS, PRED)" HA 77 0.228 1
24 1 4 1 "RMS(OBS, PRED)" N 67 2.655 1
25 1 5 1 "RMS(OBS, PRED)" C 70 1.059 1
26 1 5 1 "RMS(OBS, PRED)" CA 72 0.987 1
27 1 5 1 "RMS(OBS, PRED)" CB 66 1.137 1
28 1 5 1 "RMS(OBS, PRED)" H 67 0.518 1
29 1 5 1 "RMS(OBS, PRED)" HA 77 0.251 1
30 1 5 1 "RMS(OBS, PRED)" N 67 2.548 1
31 1 6 1 "RMS(OBS, PRED)" C 70 1.055 1
32 1 6 1 "RMS(OBS, PRED)" CA 72 1.148 1
33 1 6 1 "RMS(OBS, PRED)" CB 66 1.028 1
34 1 6 1 "RMS(OBS, PRED)" H 67 0.497 1
35 1 6 1 "RMS(OBS, PRED)" HA 77 0.248 1
36 1 6 1 "RMS(OBS, PRED)" N 67 2.787 1
37 1 7 1 "RMS(OBS, PRED)" C 70 1.126 1
38 1 7 1 "RMS(OBS, PRED)" CA 72 1.301 1
39 1 7 1 "RMS(OBS, PRED)" CB 66 1.072 1
40 1 7 1 "RMS(OBS, PRED)" H 67 0.534 1
41 1 7 1 "RMS(OBS, PRED)" HA 77 0.259 1
42 1 7 1 "RMS(OBS, PRED)" N 67 2.750 1
43 1 8 1 "RMS(OBS, PRED)" C 70 1.115 1
44 1 8 1 "RMS(OBS, PRED)" CA 72 1.142 1
45 1 8 1 "RMS(OBS, PRED)" CB 66 1.200 1
46 1 8 1 "RMS(OBS, PRED)" H 67 0.509 1
47 1 8 1 "RMS(OBS, PRED)" HA 77 0.279 1
48 1 8 1 "RMS(OBS, PRED)" N 67 2.749 1
49 1 9 1 "RMS(OBS, PRED)" C 70 1.151 1
50 1 9 1 "RMS(OBS, PRED)" CA 72 1.330 1
51 1 9 1 "RMS(OBS, PRED)" CB 66 1.063 1
52 1 9 1 "RMS(OBS, PRED)" H 67 0.517 1
53 1 9 1 "RMS(OBS, PRED)" HA 77 0.268 1
54 1 9 1 "RMS(OBS, PRED)" N 67 3.018 1
55 1 10 1 "RMS(OBS, PRED)" C 70 0.988 1
56 1 10 1 "RMS(OBS, PRED)" CA 72 0.888 1
57 1 10 1 "RMS(OBS, PRED)" CB 66 0.969 1
58 1 10 1 "RMS(OBS, PRED)" H 67 0.496 1
59 1 10 1 "RMS(OBS, PRED)" HA 77 0.238 1
60 1 10 1 "RMS(OBS, PRED)" N 67 2.469 1
61 1 11 1 "RMS(OBS, PRED)" C 70 1.028 1
62 1 11 1 "RMS(OBS, PRED)" CA 72 1.094 1
63 1 11 1 "RMS(OBS, PRED)" CB 66 1.089 1
64 1 11 1 "RMS(OBS, PRED)" H 67 0.506 1
65 1 11 1 "RMS(OBS, PRED)" HA 77 0.241 1
66 1 11 1 "RMS(OBS, PRED)" N 67 3.028 1
67 1 12 1 "RMS(OBS, PRED)" C 70 1.082 1
68 1 12 1 "RMS(OBS, PRED)" CA 72 1.323 1
69 1 12 1 "RMS(OBS, PRED)" CB 66 1.124 1
70 1 12 1 "RMS(OBS, PRED)" H 67 0.508 1
71 1 12 1 "RMS(OBS, PRED)" HA 77 0.246 1
72 1 12 1 "RMS(OBS, PRED)" N 67 2.654 1
73 1 13 1 "RMS(OBS, PRED)" C 70 0.909 1
74 1 13 1 "RMS(OBS, PRED)" CA 72 0.958 1
75 1 13 1 "RMS(OBS, PRED)" CB 66 1.084 1
76 1 13 1 "RMS(OBS, PRED)" H 67 0.504 1
77 1 13 1 "RMS(OBS, PRED)" HA 77 0.243 1
78 1 13 1 "RMS(OBS, PRED)" N 67 2.570 1
79 1 14 1 "RMS(OBS, PRED)" C 70 1.011 1
80 1 14 1 "RMS(OBS, PRED)" CA 72 0.947 1
81 1 14 1 "RMS(OBS, PRED)" CB 66 1.209 1
82 1 14 1 "RMS(OBS, PRED)" H 67 0.472 1
83 1 14 1 "RMS(OBS, PRED)" HA 77 0.279 1
84 1 14 1 "RMS(OBS, PRED)" N 67 2.493 1
85 1 15 1 "RMS(OBS, PRED)" C 70 0.980 1
86 1 15 1 "RMS(OBS, PRED)" CA 72 1.022 1
87 1 15 1 "RMS(OBS, PRED)" CB 66 0.946 1
88 1 15 1 "RMS(OBS, PRED)" H 67 0.497 1
89 1 15 1 "RMS(OBS, PRED)" HA 77 0.223 1
90 1 15 1 "RMS(OBS, PRED)" N 67 2.959 1
91 1 16 1 "RMS(OBS, PRED)" C 70 1.140 1
92 1 16 1 "RMS(OBS, PRED)" CA 72 1.224 1
93 1 16 1 "RMS(OBS, PRED)" CB 66 1.024 1
94 1 16 1 "RMS(OBS, PRED)" H 67 0.474 1
95 1 16 1 "RMS(OBS, PRED)" HA 77 0.262 1
96 1 16 1 "RMS(OBS, PRED)" N 67 2.653 1
97 1 17 1 "RMS(OBS, PRED)" C 70 1.017 1
98 1 17 1 "RMS(OBS, PRED)" CA 72 1.070 1
99 1 17 1 "RMS(OBS, PRED)" CB 66 1.139 1
100 1 17 1 "RMS(OBS, PRED)" H 67 0.501 1
101 1 17 1 "RMS(OBS, PRED)" HA 77 0.221 1
102 1 17 1 "RMS(OBS, PRED)" N 67 2.479 1
103 1 18 1 "RMS(OBS, PRED)" C 70 1.024 1
104 1 18 1 "RMS(OBS, PRED)" CA 72 1.184 1
105 1 18 1 "RMS(OBS, PRED)" CB 66 0.949 1
106 1 18 1 "RMS(OBS, PRED)" H 67 0.498 1
107 1 18 1 "RMS(OBS, PRED)" HA 77 0.244 1
108 1 18 1 "RMS(OBS, PRED)" N 67 2.723 1
109 1 19 1 "RMS(OBS, PRED)" C 70 1.037 1
110 1 19 1 "RMS(OBS, PRED)" CA 72 1.207 1
111 1 19 1 "RMS(OBS, PRED)" CB 66 0.999 1
112 1 19 1 "RMS(OBS, PRED)" H 67 0.505 1
113 1 19 1 "RMS(OBS, PRED)" HA 77 0.252 1
114 1 19 1 "RMS(OBS, PRED)" N 67 2.915 1
115 1 20 1 "RMS(OBS, PRED)" C 70 1.057 1
116 1 20 1 "RMS(OBS, PRED)" CA 72 1.194 1
117 1 20 1 "RMS(OBS, PRED)" CB 66 1.203 1
118 1 20 1 "RMS(OBS, PRED)" H 67 0.527 1
119 1 20 1 "RMS(OBS, PRED)" HA 77 0.275 1
120 1 20 1 "RMS(OBS, PRED)" N 67 2.619 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 3.969 4.099 -0.130 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.969 4.099 -0.130 2
1 3 . 1 1 A 7 7 GLY C C 7 173.939 173.426 0.513 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.342 45.541 -0.199 2
1 5 . 1 1 A 8 8 ALA H H 8 8.128 8.244 -0.116 2
1 6 . 1 1 A 8 8 ALA HA H 8 4.329 4.526 -0.197 2
1 10 . 1 1 A 8 8 ALA C C 8 177.971 176.743 1.228 2
1 11 . 1 1 A 8 8 ALA CA C 8 52.565 52.077 0.488 2
1 12 . 1 1 A 8 8 ALA CB C 8 19.287 19.777 -0.490 2
1 13 . 1 1 A 8 8 ALA N N 8 123.703 123.863 -0.160 2
1 14 . 1 1 A 9 9 LEU H H 9 8.240 8.318 -0.078 2
1 15 . 1 1 A 9 9 LEU HA H 9 4.304 4.664 -0.360 2
1 25 . 1 1 A 9 9 LEU C C 9 177.655 176.102 1.553 2
1 26 . 1 1 A 9 9 LEU CA C 9 55.570 54.421 1.149 2
1 27 . 1 1 A 9 9 LEU CB C 9 42.202 43.900 -1.698 2
1 31 . 1 1 A 9 9 LEU N N 9 121.161 120.595 0.566 2
1 32 . 1 1 A 10 10 GLN H H 10 8.305 8.644 -0.339 2
1 33 . 1 1 A 10 10 GLN HA H 10 4.313 4.443 -0.130 2
1 40 . 1 1 A 10 10 GLN C C 10 175.737 174.632 1.105 2
1 41 . 1 1 A 10 10 GLN CA C 10 56.099 56.232 -0.133 2
1 42 . 1 1 A 10 10 GLN CB C 10 29.425 30.616 -1.191 2
1 44 . 1 1 A 10 10 GLN N N 10 120.538 122.166 -1.628 2
1 46 . 1 1 A 11 11 ASP H H 11 8.306 8.406 -0.100 2
1 47 . 1 1 A 11 11 ASP HA H 11 4.589 4.867 -0.278 2
1 50 . 1 1 A 11 11 ASP C C 11 176.319 175.450 0.869 2
1 51 . 1 1 A 11 11 ASP CA C 11 54.583 53.795 0.788 2
1 52 . 1 1 A 11 11 ASP CB C 11 41.204 42.291 -1.087 2
1 53 . 1 1 A 11 11 ASP N N 11 121.418 121.815 -0.397 2
1 54 . 1 1 A 12 12 ARG H H 12 8.257 8.409 -0.152 2
1 55 . 1 1 A 12 12 ARG HA H 12 4.408 4.553 -0.145 2
1 62 . 1 1 A 12 12 ARG C C 12 176.295 175.484 0.811 2
1 63 . 1 1 A 12 12 ARG CA C 12 56.088 55.716 0.372 2
1 64 . 1 1 A 12 12 ARG CB C 12 30.579 31.486 -0.907 2
1 67 . 1 1 A 12 12 ARG N N 12 121.271 122.184 -0.913 2
1 68 . 1 1 A 13 13 THR H H 13 8.189 8.499 -0.310 2
1 69 . 1 1 A 13 13 THR HA H 13 4.193 4.744 -0.551 2
1 74 . 1 1 A 13 13 THR C C 13 174.121 173.410 0.711 2
1 75 . 1 1 A 13 13 THR CA C 13 62.448 61.224 1.224 2
1 76 . 1 1 A 13 13 THR CB C 13 69.697 69.993 -0.296 2
1 78 . 1 1 A 13 13 THR N N 13 114.810 116.124 -1.314 2
1 79 . 1 1 A 14 14 GLN H H 14 8.130 8.622 -0.492 2
1 80 . 1 1 A 14 14 GLN HA H 14 4.314 4.856 -0.542 2
1 87 . 1 1 A 14 14 GLN C C 14 175.275 174.725 0.550 2
1 88 . 1 1 A 14 14 GLN CA C 14 55.253 54.602 0.651 2
1 89 . 1 1 A 14 14 GLN CB C 14 29.838 31.275 -1.437 2
1 91 . 1 1 A 14 14 GLN N N 14 122.533 124.923 -2.390 2
1 93 . 1 1 A 15 15 PHE H H 15 8.151 8.966 -0.815 2
1 94 . 1 1 A 15 15 PHE HA H 15 5.009 4.958 0.051 2
1 102 . 1 1 A 15 15 PHE C C 15 176.465 175.346 1.119 2
1 103 . 1 1 A 15 15 PHE CA C 15 57.157 57.190 -0.033 2
1 104 . 1 1 A 15 15 PHE CB C 15 40.996 41.284 -0.288 2
1 110 . 1 1 A 15 15 PHE N N 15 120.835 122.794 -1.959 2
1 111 . 1 1 A 16 16 SER H H 16 9.565 8.809 0.756 2
1 112 . 1 1 A 16 16 SER HA H 16 4.610 4.740 -0.130 2
1 115 . 1 1 A 16 16 SER C C 16 174.547 175.161 -0.614 2
1 116 . 1 1 A 16 16 SER CA C 16 56.946 57.330 -0.384 2
1 117 . 1 1 A 16 16 SER CB C 16 65.545 64.807 0.738 2
1 118 . 1 1 A 16 16 SER N N 16 119.442 118.213 1.229 2
1 119 . 1 1 A 17 17 ASP H H 17 8.947 9.131 -0.184 2
1 120 . 1 1 A 17 17 ASP HA H 17 4.386 4.260 0.126 2
1 123 . 1 1 A 17 17 ASP C C 17 179.331 178.165 1.166 2
1 124 . 1 1 A 17 17 ASP CA C 17 58.074 57.889 0.185 2
1 125 . 1 1 A 17 17 ASP CB C 17 39.875 40.456 -0.581 2
1 126 . 1 1 A 17 17 ASP N N 17 120.645 126.053 -5.409 2
1 127 . 1 1 A 18 18 ARG H H 18 8.302 8.142 0.160 2
1 128 . 1 1 A 18 18 ARG HA H 18 4.098 4.018 0.080 2
1 135 . 1 1 A 18 18 ARG C C 18 178.699 178.714 -0.015 2
1 136 . 1 1 A 18 18 ARG CA C 18 59.203 59.406 -0.203 2
1 137 . 1 1 A 18 18 ARG CB C 18 29.920 30.081 -0.161 2
1 140 . 1 1 A 18 18 ARG N N 18 121.398 119.338 2.060 2
1 141 . 1 1 A 19 19 ASP H H 19 7.853 8.071 -0.218 2
1 142 . 1 1 A 19 19 ASP HA H 19 4.151 4.308 -0.157 2
1 145 . 1 1 A 19 19 ASP C C 19 178.384 178.725 -0.341 2
1 146 . 1 1 A 19 19 ASP CA C 19 57.348 57.145 0.203 2
1 147 . 1 1 A 19 19 ASP CB C 19 40.392 40.815 -0.423 2
1 148 . 1 1 A 19 19 ASP N N 19 122.636 119.923 2.713 2
1 149 . 1 1 A 20 20 LEU H H 20 8.335 8.424 -0.089 2
1 150 . 1 1 A 20 20 LEU HA H 20 3.635 3.599 0.036 2
1 160 . 1 1 A 20 20 LEU C C 20 179.234 178.812 0.422 2
1 161 . 1 1 A 20 20 LEU CA C 20 57.587 57.874 -0.287 2
1 162 . 1 1 A 20 20 LEU CB C 20 41.658 41.495 0.163 2
1 166 . 1 1 A 20 20 LEU N N 20 118.845 119.691 -0.846 2
1 167 . 1 1 A 21 21 ALA H H 21 7.905 8.300 -0.395 2
1 168 . 1 1 A 21 21 ALA HA H 21 4.123 4.031 0.092 2
1 172 . 1 1 A 21 21 ALA C C 21 181.031 179.867 1.164 2
1 173 . 1 1 A 21 21 ALA CA C 21 55.103 55.474 -0.371 2
1 174 . 1 1 A 21 21 ALA CB C 21 17.709 18.607 -0.898 2
1 175 . 1 1 A 21 21 ALA N N 21 122.007 120.710 1.297 2
1 176 . 1 1 A 22 22 THR H H 22 7.886 7.964 -0.078 2
1 177 . 1 1 A 22 22 THR HA H 22 3.954 3.832 0.122 2
1 182 . 1 1 A 22 22 THR C C 22 175.834 176.304 -0.470 2
1 183 . 1 1 A 22 22 THR CA C 22 67.081 67.419 -0.338 2
1 184 . 1 1 A 22 22 THR CB C 22 68.253 68.770 -0.517 2
1 186 . 1 1 A 22 22 THR N N 22 119.042 113.916 5.126 2
1 187 . 1 1 A 23 23 LEU H H 23 8.036 7.982 0.054 2
1 188 . 1 1 A 23 23 LEU HA H 23 3.404 3.766 -0.362 2
1 198 . 1 1 A 23 23 LEU C C 23 178.335 178.860 -0.525 2
1 199 . 1 1 A 23 23 LEU CA C 23 59.230 58.125 1.105 2
1 200 . 1 1 A 23 23 LEU CB C 23 39.399 41.190 -1.791 2
1 204 . 1 1 A 23 23 LEU N N 23 123.450 120.303 3.147 2
1 205 . 1 1 A 24 24 LYS H H 24 8.166 8.289 -0.123 2
1 206 . 1 1 A 24 24 LYS HA H 24 4.074 4.113 -0.039 2
1 215 . 1 1 A 24 24 LYS C C 24 177.631 179.103 -1.472 2
1 216 . 1 1 A 24 24 LYS CA C 24 60.367 60.160 0.207 2
1 217 . 1 1 A 24 24 LYS CB C 24 32.554 32.351 0.203 2
1 221 . 1 1 A 24 24 LYS N N 24 117.974 117.443 0.531 2
1 222 . 1 1 A 25 25 LYS H H 25 7.837 7.954 -0.117 2
1 223 . 1 1 A 25 25 LYS HA H 25 4.205 4.023 0.182 2
1 232 . 1 1 A 25 25 LYS C C 25 179.695 178.564 1.131 2
1 233 . 1 1 A 25 25 LYS CA C 25 59.704 59.208 0.497 2
1 234 . 1 1 A 25 25 LYS CB C 25 31.816 32.157 -0.341 2
1 238 . 1 1 A 25 25 LYS N N 25 120.567 120.103 0.464 2
1 239 . 1 1 A 26 26 TYR H H 26 8.158 8.042 0.116 2
1 240 . 1 1 A 26 26 TYR HA H 26 4.089 4.204 -0.115 2
1 247 . 1 1 A 26 26 TYR C C 26 180.035 178.739 1.296 2
1 248 . 1 1 A 26 26 TYR CA C 26 63.104 60.332 2.772 2
1 249 . 1 1 A 26 26 TYR CB C 26 36.926 37.977 -1.051 2
1 254 . 1 1 A 26 26 TYR N N 26 118.591 118.381 0.210 2
1 255 . 1 1 A 27 27 TRP H H 27 9.294 8.184 1.110 2
1 256 . 1 1 A 27 27 TRP HA H 27 4.349 4.393 -0.044 2
1 265 . 1 1 A 27 27 TRP C C 27 179.209 178.506 0.703 2
1 266 . 1 1 A 27 27 TRP CA C 27 61.357 60.661 0.696 2
1 267 . 1 1 A 27 27 TRP CB C 27 28.481 29.923 -1.442 2
1 273 . 1 1 A 27 27 TRP N N 27 125.036 122.321 2.715 2
1 275 . 1 1 A 28 28 ASP H H 28 9.354 8.194 1.159 2
1 276 . 1 1 A 28 28 ASP HA H 28 4.479 4.665 -0.186 2
1 279 . 1 1 A 28 28 ASP C C 28 176.999 177.194 -0.195 2
1 280 . 1 1 A 28 28 ASP CA C 28 57.024 56.720 0.304 2
1 281 . 1 1 A 28 28 ASP CB C 28 39.894 40.901 -1.007 2
1 282 . 1 1 A 28 28 ASP N N 28 121.650 119.251 2.399 2
1 283 . 1 1 A 29 29 ASN H H 29 7.569 8.287 -0.718 2
1 284 . 1 1 A 29 29 ASN HA H 29 4.905 4.925 -0.020 2
1 289 . 1 1 A 29 29 ASN C C 29 174.935 175.415 -0.480 2
1 290 . 1 1 A 29 29 ASN CA C 29 52.819 52.604 0.215 2
1 291 . 1 1 A 29 29 ASN CB C 29 39.320 38.893 0.427 2
1 292 . 1 1 A 29 29 ASN N N 29 116.912 116.208 0.704 2
1 294 . 1 1 A 30 30 GLY H H 30 7.695 7.785 -0.091 2
1 295 . 1 1 A 30 30 GLY HA2 H 30 3.603 3.727 -0.124 2
1 296 . 1 1 A 30 30 GLY HA3 H 30 4.489 3.850 0.638 2
1 297 . 1 1 A 30 30 GLY C C 30 174.571 174.583 -0.012 2
1 298 . 1 1 A 30 30 GLY CA C 30 45.332 46.301 -0.969 2
1 299 . 1 1 A 30 30 GLY N N 30 105.356 108.140 -2.784 2
1 300 . 1 1 A 31 31 MET H H 31 8.574 7.867 0.708 2
1 301 . 1 1 A 31 31 MET HA H 31 4.769 4.398 0.371 2
1 309 . 1 1 A 31 31 MET C C 31 173.381 176.457 -3.076 2
1 310 . 1 1 A 31 31 MET CA C 31 54.301 55.059 -0.758 2
1 311 . 1 1 A 31 31 MET CB C 31 31.899 31.365 0.534 2
1 314 . 1 1 A 31 31 MET N N 31 125.209 120.914 4.295 2
1 315 . 1 1 A 32 32 THR H H 32 7.284 7.486 -0.202 2
1 316 . 1 1 A 32 32 THR HA H 32 4.003 4.033 -0.030 2
1 321 . 1 1 A 32 32 THR C C 32 173.721 174.055 -0.334 2
1 322 . 1 1 A 32 32 THR CA C 32 59.873 61.931 -2.058 2
1 323 . 1 1 A 32 32 THR CB C 32 69.651 68.342 1.309 2
1 325 . 1 1 A 32 32 THR N N 32 108.409 114.235 -5.826 2
1 326 . 1 1 A 33 33 SER H H 33 7.809 7.627 0.182 2
1 327 . 1 1 A 33 33 SER HA H 33 4.614 4.648 -0.034 2
1 330 . 1 1 A 33 33 SER C C 33 171.608 173.668 -2.060 2
1 331 . 1 1 A 33 33 SER CA C 33 56.764 57.639 -0.875 2
1 332 . 1 1 A 33 33 SER CB C 33 65.653 64.981 0.672 2
1 333 . 1 1 A 33 33 SER N N 33 115.742 117.124 -1.383 2
1 334 . 1 1 A 34 34 LEU H H 34 8.284 8.554 -0.270 2
1 335 . 1 1 A 34 34 LEU HA H 34 4.488 4.342 0.146 2
1 345 . 1 1 A 34 34 LEU C C 34 178.335 177.705 0.630 2
1 346 . 1 1 A 34 34 LEU CA C 34 54.583 56.286 -1.703 2
1 347 . 1 1 A 34 34 LEU CB C 34 41.872 42.366 -0.494 2
1 351 . 1 1 A 34 34 LEU N N 34 116.566 124.917 -8.351 2
1 352 . 1 1 A 35 35 GLY H H 35 8.159 8.119 0.040 2
1 353 . 1 1 A 35 35 GLY HA2 H 35 4.239 3.945 0.294 2
1 354 . 1 1 A 35 35 GLY HA3 H 35 3.949 3.950 -0.001 2
1 355 . 1 1 A 35 35 GLY C C 35 175.299 175.260 0.039 2
1 356 . 1 1 A 35 35 GLY CA C 35 44.707 45.648 -0.941 2
1 357 . 1 1 A 35 35 GLY N N 35 106.688 107.555 -0.867 2
1 358 . 1 1 A 36 36 SER HA H 36 4.123 4.220 -0.097 2
1 360 . 1 1 A 36 36 SER CA C 36 61.785 61.665 0.120 2
1 361 . 1 1 A 36 36 SER CB C 36 62.793 63.219 -0.426 2
1 362 . 1 1 A 37 37 VAL HA H 37 4.155 3.775 0.381 2
1 370 . 1 1 A 37 37 VAL C C 37 177.048 177.352 -0.304 2
1 371 . 1 1 A 37 37 VAL CA C 37 64.423 65.161 -0.738 2
1 372 . 1 1 A 37 37 VAL CB C 37 31.486 31.419 0.067 2
1 375 . 1 1 A 38 38 CYS H H 38 7.746 7.963 -0.217 2
1 376 . 1 1 A 38 38 CYS HA H 38 4.787 4.412 0.375 2
1 379 . 1 1 A 38 38 CYS C C 38 174.522 176.618 -2.096 2
1 380 . 1 1 A 38 38 CYS CA C 38 59.344 60.828 -1.484 2
1 381 . 1 1 A 38 38 CYS CB C 38 29.261 28.522 0.739 2
1 382 . 1 1 A 38 38 CYS N N 38 116.501 119.736 -3.235 2
1 383 . 1 1 A 39 39 ARG H H 39 7.633 8.068 -0.435 2
1 384 . 1 1 A 39 39 ARG HA H 39 3.847 3.934 -0.087 2
1 390 . 1 1 A 39 39 ARG C C 39 177.315 178.816 -1.501 2
1 391 . 1 1 A 39 39 ARG CA C 39 60.952 59.384 1.568 2
1 392 . 1 1 A 39 39 ARG CB C 39 30.332 30.016 0.316 2
1 395 . 1 1 A 39 39 ARG N N 39 122.520 122.496 0.024 2
1 396 . 1 1 A 40 40 GLU H H 40 8.827 8.257 0.570 2
1 397 . 1 1 A 40 40 GLU HA H 40 4.070 4.018 0.052 2
1 402 . 1 1 A 40 40 GLU C C 40 179.719 179.274 0.445 2
1 403 . 1 1 A 40 40 GLU CA C 40 60.065 59.275 0.790 2
1 404 . 1 1 A 40 40 GLU CB C 40 29.094 29.230 -0.136 2
1 406 . 1 1 A 40 40 GLU N N 40 116.909 117.644 -0.735 2
1 407 . 1 1 A 41 41 LYS H H 41 7.660 7.827 -0.167 2
1 408 . 1 1 A 41 41 LYS HA H 41 4.293 4.010 0.283 2
1 416 . 1 1 A 41 41 LYS C C 41 176.854 179.156 -2.302 2
1 417 . 1 1 A 41 41 LYS CA C 41 59.908 59.164 0.744 2
1 418 . 1 1 A 41 41 LYS CB C 41 33.704 32.302 1.402 2
1 422 . 1 1 A 41 41 LYS N N 41 120.497 118.858 1.639 2
1 423 . 1 1 A 42 42 ILE H H 42 8.050 8.074 -0.024 2
1 424 . 1 1 A 42 42 ILE HA H 42 3.756 3.523 0.233 2
1 434 . 1 1 A 42 42 ILE C C 42 177.607 177.837 -0.230 2
1 435 . 1 1 A 42 42 ILE CA C 42 65.460 65.109 0.351 2
1 436 . 1 1 A 42 42 ILE CB C 42 38.516 37.548 0.968 2
1 440 . 1 1 A 42 42 ILE N N 42 119.276 120.583 -1.307 2
1 441 . 1 1 A 43 43 GLU H H 43 8.142 8.389 -0.247 2
1 442 . 1 1 A 43 43 GLU HA H 43 4.011 4.020 -0.009 2
1 447 . 1 1 A 43 43 GLU C C 43 179.477 178.581 0.896 2
1 448 . 1 1 A 43 43 GLU CA C 43 59.340 59.176 0.164 2
1 449 . 1 1 A 43 43 GLU CB C 43 29.425 29.291 0.134 2
1 451 . 1 1 A 43 43 GLU N N 43 116.432 120.330 -3.898 2
1 452 . 1 1 A 44 44 ALA H H 44 8.053 8.022 0.031 2
1 453 . 1 1 A 44 44 ALA HA H 44 4.217 4.219 -0.002 2
1 457 . 1 1 A 44 44 ALA C C 44 180.958 179.019 1.939 2
1 458 . 1 1 A 44 44 ALA CA C 44 55.453 54.648 0.805 2
1 459 . 1 1 A 44 44 ALA CB C 44 18.553 19.450 -0.897 2
1 460 . 1 1 A 44 44 ALA N N 44 122.819 122.833 -0.014 2
1 461 . 1 1 A 45 45 VAL H H 45 8.400 7.413 0.987 2
1 462 . 1 1 A 45 45 VAL HA H 45 3.530 3.693 -0.163 2
1 470 . 1 1 A 45 45 VAL C C 45 176.465 177.076 -0.611 2
1 471 . 1 1 A 45 45 VAL CA C 45 65.075 64.673 0.402 2
1 472 . 1 1 A 45 45 VAL CB C 45 29.673 30.972 -1.299 2
1 475 . 1 1 A 45 45 VAL N N 45 120.862 116.910 3.952 2
1 476 . 1 1 A 46 46 ALA H H 46 8.225 7.852 0.373 2
1 477 . 1 1 A 46 46 ALA HA H 46 3.787 4.101 -0.314 2
1 481 . 1 1 A 46 46 ALA C C 46 180.205 179.716 0.489 2
1 482 . 1 1 A 46 46 ALA CA C 46 55.753 55.136 0.617 2
1 483 . 1 1 A 46 46 ALA CB C 46 18.516 18.622 -0.106 2
1 484 . 1 1 A 46 46 ALA N N 46 125.827 123.758 2.069 2
1 485 . 1 1 A 47 47 THR H H 47 7.850 7.487 0.363 2
1 486 . 1 1 A 47 47 THR HA H 47 4.084 4.009 0.075 2
1 491 . 1 1 A 47 47 THR C C 47 177.339 176.455 0.884 2
1 492 . 1 1 A 47 47 THR CA C 47 66.492 64.702 1.790 2
1 493 . 1 1 A 47 47 THR CB C 47 68.772 68.957 -0.185 2
1 495 . 1 1 A 47 47 THR N N 47 113.467 112.462 1.005 2
1 496 . 1 1 A 48 48 GLU H H 48 8.050 8.229 -0.178 2
1 497 . 1 1 A 48 48 GLU HA H 48 4.001 4.091 -0.090 2
1 502 . 1 1 A 48 48 GLU C C 48 178.457 178.339 0.118 2
1 503 . 1 1 A 48 48 GLU CA C 48 60.174 58.606 1.568 2
1 504 . 1 1 A 48 48 GLU CB C 48 29.719 29.680 0.039 2
1 506 . 1 1 A 48 48 GLU N N 48 123.295 120.903 2.392 2
1 507 . 1 1 A 49 49 LEU H H 49 8.198 7.535 0.663 2
1 508 . 1 1 A 49 49 LEU HA H 49 4.215 4.285 -0.070 2
1 518 . 1 1 A 49 49 LEU C C 49 176.344 176.035 0.309 2
1 519 . 1 1 A 49 49 LEU CA C 49 55.050 54.854 0.196 2
1 520 . 1 1 A 49 49 LEU CB C 49 42.861 42.101 0.760 2
1 524 . 1 1 A 49 49 LEU N N 49 115.963 118.029 -2.066 2
1 525 . 1 1 A 50 50 ASN H H 50 8.008 7.855 0.153 2
1 526 . 1 1 A 50 50 ASN HA H 50 4.411 4.292 0.119 2
1 531 . 1 1 A 50 50 ASN C C 50 174.522 173.764 0.758 2
1 532 . 1 1 A 50 50 ASN CA C 50 54.159 54.443 -0.284 2
1 533 . 1 1 A 50 50 ASN CB C 50 37.446 36.795 0.651 2
1 534 . 1 1 A 50 50 ASN N N 50 118.398 116.131 2.267 2
1 536 . 1 1 A 51 51 VAL H H 51 8.240 7.625 0.615 2
1 537 . 1 1 A 51 51 VAL HA H 51 4.792 4.841 -0.049 2
1 545 . 1 1 A 51 51 VAL C C 51 174.619 174.581 0.038 2
1 546 . 1 1 A 51 51 VAL CA C 51 58.674 58.657 0.017 2
1 547 . 1 1 A 51 51 VAL CB C 51 36.102 35.365 0.737 2
1 550 . 1 1 A 51 51 VAL N N 51 110.142 111.595 -1.453 2
1 551 . 1 1 A 52 52 ASP H H 52 8.164 8.688 -0.524 2
1 552 . 1 1 A 52 52 ASP HA H 52 4.597 4.527 0.070 2
1 555 . 1 1 A 52 52 ASP C C 52 178.262 177.715 0.547 2
1 556 . 1 1 A 52 52 ASP CA C 52 54.423 54.884 -0.461 2
1 557 . 1 1 A 52 52 ASP CB C 52 43.200 41.492 1.708 2
1 558 . 1 1 A 52 52 ASP N N 52 120.019 123.515 -3.496 2
1 559 . 1 1 A 53 53 CYS H H 53 8.967 9.006 -0.039 2
1 560 . 1 1 A 53 53 CYS HA H 53 3.862 4.057 -0.195 2
1 563 . 1 1 A 53 53 CYS C C 53 176.975 176.979 -0.004 2
1 564 . 1 1 A 53 53 CYS CA C 53 63.438 62.406 1.032 2
1 565 . 1 1 A 53 53 CYS CB C 53 27.358 27.241 0.117 2
1 566 . 1 1 A 53 53 CYS N N 53 122.121 124.493 -2.372 2
1 567 . 1 1 A 54 54 GLU H H 54 9.357 8.197 1.160 2
1 568 . 1 1 A 54 54 GLU HA H 54 4.083 4.075 0.008 2
1 573 . 1 1 A 54 54 GLU C C 54 179.064 179.215 -0.151 2
1 574 . 1 1 A 54 54 GLU CA C 54 59.626 59.434 0.192 2
1 575 . 1 1 A 54 54 GLU CB C 54 29.178 29.445 -0.268 2
1 577 . 1 1 A 54 54 GLU N N 54 120.121 120.459 -0.338 2
1 578 . 1 1 A 55 55 ILE H H 55 7.650 8.352 -0.702 2
1 579 . 1 1 A 55 55 ILE HA H 55 4.005 3.828 0.177 2
1 589 . 1 1 A 55 55 ILE C C 55 179.331 178.649 0.682 2
1 590 . 1 1 A 55 55 ILE CA C 55 63.558 65.377 -1.819 2
1 591 . 1 1 A 55 55 ILE CB C 55 36.988 37.949 -0.961 2
1 595 . 1 1 A 55 55 ILE N N 55 119.061 120.586 -1.525 2
1 596 . 1 1 A 56 56 VAL H H 56 6.973 7.836 -0.863 2
1 597 . 1 1 A 56 56 VAL HA H 56 3.651 3.722 -0.071 2
1 605 . 1 1 A 56 56 VAL C C 56 177.874 178.137 -0.263 2
1 606 . 1 1 A 56 56 VAL CA C 56 66.847 66.473 0.374 2
1 607 . 1 1 A 56 56 VAL CB C 56 31.486 31.739 -0.253 2
1 610 . 1 1 A 56 56 VAL N N 56 121.206 120.823 0.383 2
1 611 . 1 1 A 57 57 ARG H H 57 8.508 8.315 0.193 2
1 612 . 1 1 A 57 57 ARG HA H 57 3.928 4.074 -0.146 2
1 618 . 1 1 A 57 57 ARG C C 57 179.282 178.969 0.313 2
1 619 . 1 1 A 57 57 ARG CA C 57 61.095 59.845 1.250 2
1 620 . 1 1 A 57 57 ARG CB C 57 30.261 30.055 0.206 2
1 623 . 1 1 A 57 57 ARG N N 57 118.801 119.517 -0.716 2
1 624 . 1 1 A 58 58 THR H H 58 8.528 8.214 0.314 2
1 625 . 1 1 A 58 58 THR HA H 58 4.013 4.010 0.003 2
1 630 . 1 1 A 58 58 THR C C 58 175.518 176.254 -0.736 2
1 631 . 1 1 A 58 58 THR CA C 58 66.879 66.475 0.404 2
1 632 . 1 1 A 58 58 THR CB C 58 68.826 68.464 0.362 2
1 634 . 1 1 A 58 58 THR N N 58 117.805 117.218 0.587 2
1 635 . 1 1 A 59 59 TRP H H 59 7.904 8.009 -0.105 2
1 636 . 1 1 A 59 59 TRP HA H 59 4.228 4.394 -0.166 2
1 645 . 1 1 A 59 59 TRP C C 59 179.015 178.493 0.522 2
1 646 . 1 1 A 59 59 TRP CA C 59 63.377 61.457 1.920 2
1 647 . 1 1 A 59 59 TRP CB C 59 28.280 29.636 -1.356 2
1 653 . 1 1 A 59 59 TRP N N 59 124.326 123.992 0.334 2
1 655 . 1 1 A 60 60 ILE H H 60 8.799 8.351 0.448 2
1 656 . 1 1 A 60 60 ILE HA H 60 3.461 3.588 -0.127 2
1 666 . 1 1 A 60 60 ILE C C 60 178.481 177.909 0.572 2
1 667 . 1 1 A 60 60 ILE CA C 60 65.878 65.130 0.748 2
1 668 . 1 1 A 60 60 ILE CB C 60 39.399 38.174 1.225 2
1 672 . 1 1 A 60 60 ILE N N 60 119.831 119.626 0.205 2
1 673 . 1 1 A 61 61 GLY H H 61 8.659 7.822 0.837 2
1 674 . 1 1 A 61 61 GLY HA2 H 61 3.705 3.790 -0.085 2
1 675 . 1 1 A 61 61 GLY HA3 H 61 4.118 3.799 0.319 2
1 676 . 1 1 A 61 61 GLY C C 61 176.878 175.968 0.910 2
1 677 . 1 1 A 61 61 GLY CA C 61 47.388 47.280 0.108 2
1 678 . 1 1 A 61 61 GLY N N 61 106.205 107.855 -1.650 2
1 679 . 1 1 A 62 62 ASN H H 62 8.408 7.941 0.467 2
1 680 . 1 1 A 62 62 ASN HA H 62 4.452 4.370 0.082 2
1 685 . 1 1 A 62 62 ASN C C 62 177.461 177.725 -0.263 2
1 686 . 1 1 A 62 62 ASN CA C 62 55.480 55.978 -0.498 2
1 687 . 1 1 A 62 62 ASN CB C 62 37.951 38.244 -0.293 2
1 688 . 1 1 A 62 62 ASN N N 62 120.644 119.940 0.704 2
1 690 . 1 1 A 63 63 ARG H H 63 7.816 7.795 0.021 2
1 691 . 1 1 A 63 63 ARG HA H 63 3.544 3.763 -0.219 2
1 698 . 1 1 A 63 63 ARG C C 63 178.189 178.579 -0.390 2
1 699 . 1 1 A 63 63 ARG CA C 63 59.219 59.413 -0.194 2
1 700 . 1 1 A 63 63 ARG CB C 63 29.077 29.599 -0.522 2
1 703 . 1 1 A 63 63 ARG N N 63 124.207 119.930 4.277 2
1 704 . 1 1 A 64 64 ARG H H 64 8.578 8.110 0.468 2
1 705 . 1 1 A 64 64 ARG HA H 64 4.057 4.153 -0.096 2
1 712 . 1 1 A 64 64 ARG C C 64 179.039 178.861 0.178 2
1 713 . 1 1 A 64 64 ARG CA C 64 60.190 60.032 0.158 2
1 714 . 1 1 A 64 64 ARG CB C 64 30.579 30.015 0.564 2
1 717 . 1 1 A 64 64 ARG N N 64 117.839 118.159 -0.320 2
1 718 . 1 1 A 65 65 ARG H H 65 7.712 7.681 0.031 2
1 719 . 1 1 A 65 65 ARG HA H 65 4.091 4.052 0.039 2
1 726 . 1 1 A 65 65 ARG C C 65 178.214 178.520 -0.306 2
1 727 . 1 1 A 65 65 ARG CA C 65 59.556 59.255 0.301 2
1 728 . 1 1 A 65 65 ARG CB C 65 30.167 29.895 0.272 2
1 731 . 1 1 A 65 65 ARG N N 65 118.827 119.666 -0.839 2
1 732 . 1 1 A 66 66 LYS H H 66 7.848 7.892 -0.044 2
1 733 . 1 1 A 66 66 LYS HA H 66 3.997 3.964 0.033 2
1 741 . 1 1 A 66 66 LYS C C 66 178.481 178.787 -0.306 2
1 742 . 1 1 A 66 66 LYS CA C 66 59.110 59.151 -0.041 2
1 743 . 1 1 A 66 66 LYS CB C 66 32.226 32.149 0.077 2
1 747 . 1 1 A 66 66 LYS N N 66 120.251 118.586 1.665 2
1 748 . 1 1 A 67 67 TYR H H 67 8.324 7.854 0.470 2
1 749 . 1 1 A 67 67 TYR HA H 67 4.274 4.308 -0.034 2
1 756 . 1 1 A 67 67 TYR C C 67 177.412 178.272 -0.860 2
1 757 . 1 1 A 67 67 TYR CA C 67 60.576 60.955 -0.379 2
1 758 . 1 1 A 67 67 TYR CB C 67 37.043 38.381 -1.338 2
1 763 . 1 1 A 67 67 TYR N N 67 118.725 118.957 -0.232 2
1 764 . 1 1 A 68 68 ARG H H 68 8.084 8.191 -0.107 2
1 765 . 1 1 A 68 68 ARG HA H 68 4.218 4.148 0.070 2
1 772 . 1 1 A 68 68 ARG C C 68 179.209 178.564 0.645 2
1 773 . 1 1 A 68 68 ARG CA C 68 58.616 59.350 -0.734 2
1 774 . 1 1 A 68 68 ARG CB C 68 29.343 30.002 -0.659 2
1 777 . 1 1 A 68 68 ARG N N 68 119.763 119.936 -0.173 2
1 778 . 1 1 A 69 69 LEU H H 69 8.168 8.320 -0.152 2
1 779 . 1 1 A 69 69 LEU HA H 69 4.244 4.013 0.231 2
1 789 . 1 1 A 69 69 LEU C C 69 178.457 178.993 -0.536 2
1 790 . 1 1 A 69 69 LEU CA C 69 56.981 57.949 -0.968 2
1 791 . 1 1 A 69 69 LEU CB C 69 41.955 41.570 0.385 2
1 795 . 1 1 A 69 69 LEU N N 69 120.874 119.874 1.000 2
1 796 . 1 1 A 70 70 MET H H 70 7.942 7.740 0.202 2
1 797 . 1 1 A 70 70 MET HA H 70 4.440 4.466 -0.026 2
1 805 . 1 1 A 70 70 MET C C 70 176.417 176.329 0.088 2
1 806 . 1 1 A 70 70 MET CA C 70 55.958 55.875 0.083 2
1 807 . 1 1 A 70 70 MET CB C 70 33.711 33.041 0.670 2
1 810 . 1 1 A 70 70 MET N N 70 117.335 116.682 0.653 2
1 811 . 1 1 A 71 71 GLY H H 71 8.107 8.090 0.017 2
1 812 . 1 1 A 71 71 GLY HA2 H 71 3.906 4.040 -0.134 2
1 813 . 1 1 A 71 71 GLY HA3 H 71 4.055 4.044 0.011 2
1 814 . 1 1 A 71 71 GLY C C 71 174.255 174.494 -0.239 2
1 815 . 1 1 A 71 71 GLY CA C 71 45.852 45.547 0.305 2
1 816 . 1 1 A 71 71 GLY N N 71 109.096 106.870 2.226 2
1 817 . 1 1 A 72 72 ILE H H 72 8.036 7.744 0.292 2
1 818 . 1 1 A 72 72 ILE HA H 72 4.197 4.282 -0.085 2
1 828 . 1 1 A 72 72 ILE C C 72 175.712 175.458 0.254 2
1 829 . 1 1 A 72 72 ILE CA C 72 60.626 60.549 0.077 2
1 830 . 1 1 A 72 72 ILE CB C 72 39.203 38.504 0.699 2
1 834 . 1 1 A 72 72 ILE N N 72 120.615 121.423 -0.808 2
1 835 . 1 1 A 73 73 GLU H H 73 8.523 8.594 -0.071 2
1 836 . 1 1 A 73 73 GLU HA H 73 4.306 4.568 -0.262 2
1 841 . 1 1 A 73 73 GLU C C 73 176.417 176.027 0.390 2
1 842 . 1 1 A 73 73 GLU CA C 73 56.551 55.979 0.572 2
1 843 . 1 1 A 73 73 GLU CB C 73 30.167 29.665 0.502 2
1 845 . 1 1 A 73 73 GLU N N 73 125.837 125.603 0.234 2
1 846 . 1 1 A 74 74 VAL H H 74 8.319 8.303 0.016 2
1 847 . 1 1 A 74 74 VAL HA H 74 4.187 4.325 -0.138 2
1 855 . 1 1 A 74 74 VAL C C 74 176.052 175.515 0.537 2
1 856 . 1 1 A 74 74 VAL CA C 74 62.103 61.942 0.161 2
1 857 . 1 1 A 74 74 VAL CB C 74 33.063 32.939 0.124 2
1 860 . 1 1 A 74 74 VAL N N 74 122.642 122.547 0.095 2
1 861 . 1 1 A 75 75 SER H H 75 8.460 8.281 0.179 2
1 862 . 1 1 A 75 75 SER HA H 75 4.469 4.669 -0.200 2
1 865 . 1 1 A 75 75 SER C C 75 174.547 173.844 0.703 2
1 866 . 1 1 A 75 75 SER CA C 75 58.413 58.364 0.049 2
1 867 . 1 1 A 75 75 SER CB C 75 64.015 64.552 -0.537 2
1 868 . 1 1 A 75 75 SER N N 75 120.411 118.992 1.419 2
1 869 . 1 1 A 76 76 GLY H H 76 8.307 8.153 0.154 2
1 870 . 1 1 A 76 76 GLY HA2 H 76 4.096 4.111 -0.015 2
1 871 . 1 1 A 76 76 GLY C C 76 171.729 173.168 -1.439 2
1 872 . 1 1 A 76 76 GLY CA C 76 44.566 45.137 -0.571 2
1 873 . 1 1 A 76 76 GLY N N 76 110.975 110.204 0.771 2
1 874 . 1 1 A 77 77 PRO HA H 77 4.508 4.559 -0.051 2
1 880 . 1 1 A 77 77 PRO CA C 77 63.054 63.139 -0.085 2
1 881 . 1 1 A 77 77 PRO CB C 77 32.299 31.551 0.748 2
1 884 . 1 1 A 79 79 SER HA H 79 4.507 4.734 -0.227 2
1 887 . 1 1 A 79 79 SER C C 79 173.939 174.188 -0.249 2
1 888 . 1 1 A 79 79 SER CA C 79 58.427 58.101 0.326 2
1 889 . 1 1 A 79 79 SER CB C 79 64.293 64.680 -0.387 2
stop_
save_